A0A093GRZ4_STRCA Loading...

protein-ribulosamine 3-kinase

AlphaFold DB , UniProt , Accession A0A093GRZ4, Species STRCA (Struthio camelus australis), Gene n/a, Length 309 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
1M85.2Confident92.2Very high83 Ų8379.9 Ų79.941%0.40938%0.379SS..  0-64.20-167.4-177.1-73.900111.5K3 I4 L5 I42 L79 M85M1-K3 PolarHBondContact O-N 2.71Å; M1-I4 WeakPolarHBondContact O-CB 2.87Å; M1-I4 PolarHBondContact O-N 3.17Å; M1-L5 HydrophobicContact CG-CD1 4.25Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-I42 HydrophobicContact CE-CD1 3.74Å; M1-I42 HydrophobicContact CE-CG1 4.2Å; M1-I42 HydrophobicContact CE-CG2 3.63Å; M1-I42 HydrophobicContact SD-CD1 3.46Å; M1-I42 WeakPolarHBondContact SD-CD1 3.31Å; M1-I42 HydrophobicContact SD-CG1 4.22Å; M1-L79 HydrophobicContact CE-CD2 4.11Å; M1-L79 HydrophobicContact CG-CD2 4.37Å; M1-M85 HydrophobicContact CG-CE 4.41Å; M1-M85 HydrophobicContact CG-SD 3.47Å; M1-M85 WeakPolarHBondContact CG-SD 3.44Å; M1-M85 HydrophobicContact SD-SD 4.1Å
2E88.1Confident92.3Very high112 Ų11280.3 Ų80.352%0.52340%0.397SS..Hα-helixtrans-54-44.7-177.2-65-174.6173.600114.6I4 L5 K6 L14E2-I4 PolarHBondContact O-N 3.07Å; E2-L5 PolarHBondContact O-N 2.99Å; E2-K6 WeakPolarHBondContact O-CG 3.44Å; E2-K6 PolarHBondContact O-N 3.48Å; E2-L14 HydrophobicContact CB-CD2 3.93Å; E2-L14 HydrophobicContact CG-CD2 4.1Å
3K91.1Very high92.3Very high177 Ų17781.2 Ų81.277%0.7740%0.402SS*.Hα-helixtrans-56.3-39.5176.5-171.9-179.3179.7-178.70112.2M1 T7M1-K3 PolarHBondContact O-N 2.71Å; K3-T7 PolarHBondContact O-N 2.8Å; K3-T7 VanDerWaalsContact O-N 3.12Å; K3-T7 PolarHBondContact O-OG1 3.33Å
4I92.9Very high92.5Very high42 Ų4276.6 Ų76.622%0.21538%0.38CS..Hα-helixtrans-70.3-47.4179-64.6164.3000109.7M1 E2 K6 T7 E8 I77 P80 M85M1-I4 WeakPolarHBondContact O-CB 2.87Å; M1-I4 PolarHBondContact O-N 3.17Å; E2-I4 PolarHBondContact O-N 3.07Å; I4-K6 VanDerWaalsContact C-N 3.3Å; I4-K6 PolarHBondContact O-N 3.23Å; I4-T7 PolarHBondContact O-N 3.22Å; I4-T7 VanDerWaalsContact O-N 3.16Å; I4-E8 HydrophobicContact CG2-CG 3.86Å; I4-E8 WeakPolarHBondContact O-CB 3.35Å; I4-E8 VanDerWaalsContact O-CG 3.29Å; I4-E8 WeakPolarHBondContact O-CG 3.42Å; I4-E8 PolarHBondContact O-N 3.3Å; I4-I77 HydrophobicContact CG2-CG2 3.53Å; I4-P80 HydrophobicContact CD1-CG 3.28Å; I4-M85 HydrophobicContact CG2-CE 4.19Å
5L92.4Very high92.6Very high0 Ų080.8 Ų80.80%040%0.395CS..Hα-helixtrans-57.6-43.1176.8-75.1171.4000111.8M1 E2 T7 E8 L9 L14 Y31 V40 I77 M85 V87M1-L5 HydrophobicContact CG-CD1 4.25Å; M1-L5 PolarHBondContact O-N 3.11Å; E2-L5 PolarHBondContact O-N 2.99Å; L5-T7 PolarHBondContact O-N 3.33Å; L5-E8 PolarHBondContact O-N 3.48Å; L5-L9 HydrophobicContact CD2-CD1 4.46Å; L5-L9 VanDerWaalsContact O-CB 3.22Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.46Å; L5-L9 PolarHBondContact O-N 2.92Å; L5-L14 HydrophobicContact CB-CD1 4.41Å; L5-L14 HydrophobicContact CB-CD2 3.72Å; L5-L14 HydrophobicContact CD1-CD2 4.06Å; L5-Y31 HydrophobicContact CD1-CE2 4.31Å; L5-V40 HydrophobicContact CD1-CG1 4.47Å; L5-V40 HydrophobicContact CD1-CG2 4.39Å; L5-V40 HydrophobicContact CD2-CG1 4.28Å; L5-V40 HydrophobicContact CD2-CG2 4.22Å; L5-I77 HydrophobicContact CD2-CD1 4.04Å; L5-M85 HydrophobicContact CD1-SD 4.14Å; L5-M85 HydrophobicContact CD2-CE 3.82Å; L5-M85 HydrophobicContact CD2-SD 3.96Å; L5-M85 HydrophobicContact CG-CE 3.91Å; L5-M85 HydrophobicContact CG-SD 3.97Å; L5-V87 HydrophobicContact CD2-CG2 3.82Å
6K93.8Very high92.6Very high78 Ų7879 Ų7934%0.33940%0.397SS..Hα-helixtrans-59.4-46.9175-74.3-168.3178.9-161.70112.4E2 I4 K10 T11 S12 L14E2-K6 WeakPolarHBondContact O-CG 3.44Å; E2-K6 PolarHBondContact O-N 3.48Å; I4-K6 VanDerWaalsContact C-N 3.3Å; I4-K6 PolarHBondContact O-N 3.23Å; K6-K10 CarbonylContact O-C 3.58Å; K6-K10 WeakPolarHBondContact O-CA 3.27Å; K6-K10 PolarHBondContact O-N 2.93Å; K6-T11 WeakPolarHBondContact CB-O 3.19Å; K6-T11 HydrophobicContact CG-CG2 4.3Å; K6-T11 PolarHBondContact O-N 3.18Å; K6-S12 WeakPolarHBondContact CE-O 3.5Å; K6-S12 PolarHBondContact NZ-O 3.42Å; K6-L14 HydrophobicContact CD-CB 4.35Å; K6-L14 HydrophobicContact CG-CB 3.85Å; K6-L14 HydrophobicContact CG-CD2 4.22Å
7T94.5Very high92.6Very high93 Ų9376.9 Ų76.957%0.57139%0.385SS*.Hα-helixtrans-63.8-49.9177.9-60.40000112K3 I4 L5 K10K3-T7 PolarHBondContact O-N 2.8Å; K3-T7 VanDerWaalsContact O-N 3.12Å; K3-T7 PolarHBondContact O-OG1 3.33Å; I4-T7 PolarHBondContact O-N 3.22Å; I4-T7 VanDerWaalsContact O-N 3.16Å; L5-T7 PolarHBondContact O-N 3.33Å; T7-K10 PolarHBondContact O-N 3.08Å
8E94.4Very high92Very high72 Ų7276.2 Ų76.234%0.33640%0.4SS..Hα-helixtrans-69.2-37-174.2-70-62.5147.700112.7I4 L5 K10 K75 I77I4-E8 HydrophobicContact CG2-CG 3.86Å; I4-E8 WeakPolarHBondContact O-CB 3.35Å; I4-E8 VanDerWaalsContact O-CG 3.29Å; I4-E8 WeakPolarHBondContact O-CG 3.42Å; I4-E8 PolarHBondContact O-N 3.3Å; L5-E8 PolarHBondContact O-N 3.48Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K75 VanDerWaalsContact OE2-CE 3.31Å; E8-K75 WeakPolarHBondContact OE2-CE 3.39Å; E8-K75 IonicContact OE2-NZ 3.92Å; E8-K75 PolarHBondContact OE2-NZ 3.15Å; E8-I77 HydrophobicContact CB-CD1 3.6Å; E8-I77 HydrophobicContact CB-CG1 4.24Å; E8-I77 HydrophobicContact CG-CD1 3.86Å; E8-I77 HydrophobicContact CG-CG1 4.1Å; E8-I77 HydrophobicContact CG-CG2 3.97Å
9L93.6Very high90.8Very high25 Ų2578.1 Ų78.113%0.13142%0.42CS..THydrogen-bonded Turntrans-87.5-0.9175.6-57.2177.2000112.8L5 T11 T33 V38 I74 V87L5-L9 HydrophobicContact CD2-CD1 4.46Å; L5-L9 VanDerWaalsContact O-CB 3.22Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.46Å; L5-L9 PolarHBondContact O-N 2.92Å; L9-T11 HydrophobicContact CB-CG2 4Å; L9-T11 PolarHBondContact O-N 3.39Å; L9-T33 HydrophobicContact CD1-CG2 4.4Å; L9-V38 HydrophobicContact CD1-CG2 4.15Å; L9-I74 HydrophobicContact CD2-CG2 4.05Å; L9-V87 HydrophobicContact CD1-CG1 4.14Å; L9-V87 HydrophobicContact CD2-CB 4.4Å; L9-V87 HydrophobicContact CD2-CG1 3.92Å; L9-V87 HydrophobicContact CD2-CG2 4.44Å
10K94.5Very high89.4Confident188 Ų18878.3 Ų78.382%0.81743%0.428SS*.THydrogen-bonded Turntrans50.138.8-176-58.2178.5179.3177.20112.6K6 T7 E8K6-K10 CarbonylContact O-C 3.58Å; K6-K10 WeakPolarHBondContact O-CA 3.27Å; K6-K10 PolarHBondContact O-N 2.93Å; T7-K10 PolarHBondContact O-N 3.08Å; E8-K10 VanDerWaalsContact C-N 3.3Å
11T93.4Very high87.7Confident9 Ų976.4 Ų76.46%0.05543%0.426CS..  trans-107.6139.8-177.9179.70000112.2K6 L9 I13 T33 D34K6-T11 WeakPolarHBondContact CB-O 3.19Å; K6-T11 HydrophobicContact CG-CG2 4.3Å; K6-T11 PolarHBondContact O-N 3.18Å; L9-T11 HydrophobicContact CB-CG2 4Å; L9-T11 PolarHBondContact O-N 3.39Å; T11-I13 VanDerWaalsContact CG2-O 3.28Å; T11-I13 WeakPolarHBondContact CG2-O 3.33Å; T11-I13 PolarHBondContact OG1-N 3.48Å; T11-I13 VanDerWaalsContact OG1-N 3.14Å; T11-I13 PolarHBondContact OG1-O 3.02Å; T11-T33 HydrophobicContact CG2-CG2 4.15Å; T11-D34 VanDerWaalsContact CA-OD2 3.27Å; T11-D34 WeakPolarHBondContact CA-OD2 3.48Å; T11-D34 WeakPolarHBondContact CB-OD1 3.35Å; T11-D34 PolarHBondContact OG1-N 3.05Å; T11-D34 PolarHBondContact OG1-OD1 3.32Å; T11-D34 PolarHBondContact OG1-OD2 3.46Å
12S93.2Very high86.1Confident85 Ų8575.5 Ų75.559%0.59444%0.439SS*.SBendtrans-81.6-31.1170.4590000112.5K6 D34K6-S12 WeakPolarHBondContact CE-O 3.5Å; K6-S12 PolarHBondContact NZ-O 3.42Å; S12-D34 PolarHBondContact N-OD2 2.93Å; S12-D34 PolarHBondContact OG-OD2 2.6Å
13I92.9Very high84.7Confident91 Ų9172.5 Ų72.547%0.46744%0.438SS..  trans-103131.8-177.6-59.6174.9000109.3T11 T33T11-I13 VanDerWaalsContact CG2-O 3.28Å; T11-I13 WeakPolarHBondContact CG2-O 3.33Å; T11-I13 PolarHBondContact OG1-N 3.48Å; T11-I13 VanDerWaalsContact OG1-N 3.14Å; T11-I13 PolarHBondContact OG1-O 3.02Å; I13-T33 WeakPolarHBondContact O-CA 3.42Å
14L94.7Very high83.3Confident18 Ų1873.3 Ų73.39%0.09444%0.437CS..  trans-147.599.6170.8-170.776.1000107.1E2 L5 K6 Y31 E32 T33E2-L14 HydrophobicContact CB-CD2 3.93Å; E2-L14 HydrophobicContact CG-CD2 4.1Å; L5-L14 HydrophobicContact CB-CD1 4.41Å; L5-L14 HydrophobicContact CB-CD2 3.72Å; L5-L14 HydrophobicContact CD1-CD2 4.06Å; K6-L14 HydrophobicContact CD-CB 4.35Å; K6-L14 HydrophobicContact CG-CB 3.85Å; K6-L14 HydrophobicContact CG-CD2 4.22Å; L14-Y31 HydrophobicContact CD1-CD1 3.76Å; L14-Y31 HydrophobicContact CD1-CG 3.83Å; L14-Y31 HydrophobicContact CD2-CD1 4.22Å; L14-Y31 HydrophobicContact CD2-CE1 4.28Å; L14-Y31 HydrophobicContact CG-CD1 3.63Å; L14-Y31 HydrophobicContact CG-CE1 4.16Å; L14-Y31 HydrophobicContact CG-CG 4.24Å; L14-E32 WeakPolarHBondContact CA-O 3.43Å; L14-T33 HydrophobicContact CD1-CG2 4.16Å
15K94.1Very high82.4Confident139 Ų13973.9 Ų73.960%0.60444%0.441SS*.EExtended strand (participates in β ladder)trans-120116.1-178.9-168.2-178.2-179.1-175.40109.7Y31 E32K15-Y31 CarbonylContact O-C 3.49Å; K15-Y31 WeakPolarHBondContact O-CA 3.45Å; K15-E32 HydrophobicContact CB-CB 4.48Å; K15-E32 PolarHBondContact N-O 3.2Å; K15-E32 PolarHBondContact O-N 3.26Å
16A93.1Very high81.8Confident52 Ų5274.8 Ų74.843%0.4345%0.447SS..EExtended strand (participates in β ladder)trans-63.5138.7175.400000110.4Q29 G30 Y31A16-Q29 HydrophobicContact CB-CG 4.22Å; A16-G30 WeakPolarHBondContact CA-O 3.37Å; A16-Y31 HydrophobicContact CB-CD1 4.07Å; A16-Y31 HydrophobicContact CB-CE1 3.82Å
17F91.8Very high81.5Confident44 Ų4476.8 Ų76.819%0.19346%0.457CS..EExtended strand (participates in β ladder)trans-144.4158.7174.274.7-88.5000111.3Q29 G30 Y31 E32 R37 Y90F17-Q29 PolarHBondContact O-NE2 3.43Å; F17-G30 VanDerWaalsContact CE1-C 3.48Å; F17-G30 PolarHBondContact N-O 3.36Å; F17-Y31 VanDerWaalsContact CE1-N 3.31Å; F17-E32 HydrophobicContact CD1-CG 3.61Å; F17-E32 HydrophobicContact CE1-CG 3.92Å; F17-E32 HydrophobicContact CG-CG 4.4Å; F17-R37 HydrophobicContact CE1-CB 4.28Å; F17-R37 HydrophobicContact CE1-CG 3.96Å; F17-R37 HydrophobicContact CZ-CB 4.24Å; F17-R37 HydrophobicContact CZ-CG 4.06Å; F17-Y90 HydrophobicContact CE2-CD1 4.41Å; F17-Y90 HydrophobicContact CE2-CD2 4.27Å; F17-Y90 AromaticContact CE2-CE1 3.86Å; F17-Y90 HydrophobicContact CE2-CE1 3.86Å; F17-Y90 AromaticContact CE2-CE2 3.71Å; F17-Y90 HydrophobicContact CE2-CE2 3.71Å; F17-Y90 AromaticContact CE2-CZ 3.49Å; F17-Y90 VanDerWaalsContact CE2-CZ 3.49Å; F17-Y90 AromaticContact CZ-CD1 3.89Å; F17-Y90 HydrophobicContact CZ-CD1 3.89Å; F17-Y90 AromaticContact CZ-CD2 3.74Å; F17-Y90 HydrophobicContact CZ-CD2 3.74Å; F17-Y90 AromaticContact CZ-CE1 3.82Å; F17-Y90 HydrophobicContact CZ-CE1 3.82Å; F17-Y90 AromaticContact CZ-CE2 3.68Å; F17-Y90 HydrophobicContact CZ-CE2 3.68Å; F17-Y90 AromaticContact CZ-CG 3.85Å; F17-Y90 HydrophobicContact CZ-CG 3.85Å; F17-Y90 AromaticContact CZ-CZ 3.72Å
18G82.8Confident81.3Confident63 Ų6372.5 Ų72.565%0.64943%0.431SS*.EExtended strand (participates in β ladder)trans72.3169.3-172.700000112.3
19S69.4Low81.3Confident112 Ų11270.4 Ų70.478%0.78342%0.422SS*.EExtended strand (participates in β ladder)trans-74.2137.5173.850.20000110.2G21S19-G21 PolarHBondContact O-N 2.97Å
20S62.5Low81.3Confident83 Ų8369.4 Ų69.458%0.5842%0.418SS*.EExtended strand (participates in β ladder)trans-59.3108.1166.657.10000108.8G28S20-G28 CarbonylContact C-O 3.57Å; S20-G28 WeakPolarHBondContact CA-O 3.39Å
21G54.3Low81.4Confident38 Ų3861.2 Ų61.239%0.39238%0.381SS..EExtended strand (participates in β ladder)trans-87.6116.2177.900000109S19 G23 G28S19-G21 PolarHBondContact O-N 2.97Å; G21-G23 PolarHBondContact O-N 3.42Å; G21-G28 PolarHBondContact N-O 3.31Å; G21-G28 WeakPolarHBondContact O-CA 3.41Å; G21-G28 PolarHBondContact O-N 3.16Å
22G51Low81.5Confident65 Ų6563.9 Ų63.967%0.6739%0.393SS*.EExtended strand (participates in β ladder)trans-78.3108.416900000109.1
23G57.8Low81.6Confident49 Ų4960.6 Ų60.651%0.50537%0.37SS..  trans-62.5165.3155.100000108.8G21 I25 S26G21-G23 PolarHBondContact O-N 3.42Å; G23-I25 PolarHBondContact O-N 2.99Å; G23-S26 PolarHBondContact N-O 3.01Å
24Y61.6Low81.7Confident193 Ų19360.1 Ų60.176%0.75737%0.368SS*.SBendtrans-54.3-19.5179.7-80.1-88.2000113.9W219 F292Y24-W219 HydrophobicContact CE2-CH2 4.18Å; Y24-F292 HydrophobicContact CD1-CE1 4.05Å; Y24-F292 HydrophobicContact CD1-CZ 4.44Å; Y24-F292 HydrophobicContact CE1-CE1 4.48Å
25I74.4Confident81.6Confident55 Ų5563.8 Ų63.828%0.28240%0.395SS..SBendtrans-125.7-34.1-170.1-54.4-179.3000113.2G23 N43 M51 Y153G23-I25 PolarHBondContact O-N 2.99Å; I25-N43 PolarHBondContact O-ND2 3.47Å; I25-N43 VanDerWaalsContact O-ND2 3.16Å; I25-M51 HydrophobicContact CG2-CE 4.5Å; I25-M51 HydrophobicContact CG2-SD 4.08Å; I25-Y153 HydrophobicContact CD1-CD1 4.31Å; I25-Y153 VanDerWaalsContact CD1-N 3.31Å
26S79.5Confident81.5Confident18 Ų1858.9 Ų58.913%0.12638%0.384CS..SBendtrans-134.3150.7-171.4-54.80000111.2G23 N43G23-S26 PolarHBondContact N-O 3.01Å; S26-N43 PolarHBondContact OG-ND2 2.91Å
27Q87.3Confident81.7Confident120 Ų12062.8 Ų62.856%0.56139%0.388SS*.EExtended strand (participates in β ladder)trans-85.9134.4173.6-65.11780.900109.7K41 I42Q27-K41 CarbonylContact O-C 3.59Å; Q27-K41 WeakPolarHBondContact O-CA 3.23Å; Q27-I42 PolarHBondContact N-O 3.26Å; Q27-I42 PolarHBondContact O-N 3.27Å
28G91.4Very high81.9Confident3 Ų361.2 Ų61.23%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-115.313817800000112.3S20 G21 V40S20-G28 CarbonylContact C-O 3.57Å; S20-G28 WeakPolarHBondContact CA-O 3.39Å; G21-G28 PolarHBondContact N-O 3.31Å; G21-G28 WeakPolarHBondContact O-CA 3.41Å; G21-G28 PolarHBondContact O-N 3.16Å; G28-V40 CarbonylContact C-O 3.58Å; G28-V40 WeakPolarHBondContact CA-O 3.45Å
29Q93.6Very high82.6Confident29 Ų2961 Ų6114%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-141.4133.3178.8-178.861.661.900111.1A16 F17 Y31 V40A16-Q29 HydrophobicContact CB-CG 4.22Å; F17-Q29 PolarHBondContact O-NE2 3.43Å; Q29-Y31 HydrophobicContact CB-CD2 4.45Å; Q29-Y31 HydrophobicContact CB-CE2 3.7Å; Q29-Y31 HydrophobicContact CG-CD2 4.09Å; Q29-Y31 HydrophobicContact CG-CE1 4.2Å; Q29-Y31 HydrophobicContact CG-CE2 3.43Å; Q29-Y31 VanDerWaalsContact CG-CE2 3.43Å; Q29-Y31 VanDerWaalsContact CG-CZ 3.5Å; Q29-V40 PolarHBondContact N-O 3.03Å; Q29-V40 PolarHBondContact O-N 3.16Å
30G94.8Very high83.8Confident4 Ų455.7 Ų55.74%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-83.1141.1170.700000111.8A16 F17 V38A16-G30 WeakPolarHBondContact CA-O 3.37Å; F17-G30 VanDerWaalsContact CE1-C 3.48Å; F17-G30 PolarHBondContact N-O 3.36Å; G30-V38 WeakPolarHBondContact CA-O 3.23Å
31Y95.7Very high85.4Confident15 Ų1552.4 Ų52.46%0.05930%0.301CS..EExtended strand (participates in β ladder)trans-132.6135.4176-66.2-89.3000112.3L5 L14 K15 A16 F17 Q29 R37 V38 V40L5-Y31 HydrophobicContact CD1-CE2 4.31Å; L14-Y31 HydrophobicContact CD1-CD1 3.76Å; L14-Y31 HydrophobicContact CD1-CG 3.83Å; L14-Y31 HydrophobicContact CD2-CD1 4.22Å; L14-Y31 HydrophobicContact CD2-CE1 4.28Å; L14-Y31 HydrophobicContact CG-CD1 3.63Å; L14-Y31 HydrophobicContact CG-CE1 4.16Å; L14-Y31 HydrophobicContact CG-CG 4.24Å; K15-Y31 CarbonylContact O-C 3.49Å; K15-Y31 WeakPolarHBondContact O-CA 3.45Å; A16-Y31 HydrophobicContact CB-CD1 4.07Å; A16-Y31 HydrophobicContact CB-CE1 3.82Å; F17-Y31 VanDerWaalsContact CE1-N 3.31Å; Q29-Y31 HydrophobicContact CB-CD2 4.45Å; Q29-Y31 HydrophobicContact CB-CE2 3.7Å; Q29-Y31 HydrophobicContact CG-CD2 4.09Å; Q29-Y31 HydrophobicContact CG-CE1 4.2Å; Q29-Y31 HydrophobicContact CG-CE2 3.43Å; Q29-Y31 VanDerWaalsContact CG-CE2 3.43Å; Q29-Y31 VanDerWaalsContact CG-CZ 3.5Å; Y31-R37 WeakPolarHBondContact O-CA 3.47Å; Y31-V38 PolarHBondContact N-O 3.5Å; Y31-V38 PolarHBondContact O-N 3.12Å; Y31-V40 HydrophobicContact CD2-CB 4.11Å; Y31-V40 HydrophobicContact CD2-CG2 3.58Å; Y31-V40 HydrophobicContact CE2-CB 3.9Å; Y31-V40 HydrophobicContact CE2-CG2 3.79Å
32E95.9Very high87.3Confident66 Ų6651.1 Ų51.131%0.30829%0.285SS..EExtended strand (participates in β ladder)trans-84.1127.6165.3-60-170.7150.200109L14 K15 F17 R37L14-E32 WeakPolarHBondContact CA-O 3.43Å; K15-E32 HydrophobicContact CB-CB 4.48Å; K15-E32 PolarHBondContact N-O 3.2Å; K15-E32 PolarHBondContact O-N 3.26Å; F17-E32 HydrophobicContact CD1-CG 3.61Å; F17-E32 HydrophobicContact CE1-CG 3.92Å; F17-E32 HydrophobicContact CG-CG 4.4Å; E32-R37 HydrophobicContact CG-CG 4.14Å; E32-R37 IonicContact OE1-CZ 3.88Å; E32-R37 IonicContact OE1-NE 2.76Å; E32-R37 PolarHBondContact OE1-NE 3.49Å; E32-R37 IonicContact OE1-NH2 3.41Å; E32-R37 PolarHBondContact OE1-NH2 2.82Å
33T95.6Very high89.3Confident16 Ų1648.6 Ų48.610%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-116.7174.617377.10000110.5L9 T11 I13 L14 S35 G36 V38L9-T33 HydrophobicContact CD1-CG2 4.4Å; T11-T33 HydrophobicContact CG2-CG2 4.15Å; I13-T33 WeakPolarHBondContact O-CA 3.42Å; L14-T33 HydrophobicContact CD1-CG2 4.16Å; T33-S35 PolarHBondContact O-N 3.14Å; T33-S35 PolarHBondContact OG1-N 2.95Å; T33-S35 VanDerWaalsContact OG1-N 3.16Å; T33-S35 PolarHBondContact OG1-OG 2.93Å; T33-G36 PolarHBondContact N-O 3.19Å; T33-G36 PolarHBondContact OG1-N 2.63Å; T33-G36 PolarHBondContact OG1-O 3.01Å; T33-V38 HydrophobicContact CG2-CG1 4.41Å; T33-V38 HydrophobicContact CG2-CG2 3.93Å
34D94.4Very high91Very high81 Ų8152 Ų5243%0.43326%0.259SS..THydrogen-bonded Turntrans-66.9-17.4171.751.212.3000114.1T11 S12T11-D34 VanDerWaalsContact CA-OD2 3.27Å; T11-D34 WeakPolarHBondContact CA-OD2 3.48Å; T11-D34 WeakPolarHBondContact CB-OD1 3.35Å; T11-D34 PolarHBondContact OG1-N 3.05Å; T11-D34 PolarHBondContact OG1-OD1 3.32Å; T11-D34 PolarHBondContact OG1-OD2 3.46Å; S12-D34 PolarHBondContact N-OD2 2.93Å; S12-D34 PolarHBondContact OG-OD2 2.6Å
35S92.1Very high92.4Very high94 Ų9448.4 Ų48.466%0.65725%0.247SC*.THydrogen-bonded Turntrans-109.72.2-174.236.10000113.4T33T33-S35 PolarHBondContact O-N 3.14Å; T33-S35 PolarHBondContact OG1-N 2.95Å; T33-S35 VanDerWaalsContact OG1-N 3.16Å; T33-S35 PolarHBondContact OG1-OG 2.93Å
36G93.5Very high93.1Very high37 Ų3750.5 Ų50.538%0.38127%0.267SS..EExtended strand (participates in β ladder)trans133.5-166.9179.700000112.7T33T33-G36 PolarHBondContact N-O 3.19Å; T33-G36 PolarHBondContact OG1-N 2.63Å; T33-G36 PolarHBondContact OG1-O 3.01Å
37R95.9Very high93.6Very high133 Ų13355 Ų5550%0.50229%0.286SS..EExtended strand (participates in β ladder)trans-97.2137.2176-71.9177.3173.4167.20.3110.1F17 Y31 E32 Y90F17-R37 HydrophobicContact CE1-CB 4.28Å; F17-R37 HydrophobicContact CE1-CG 3.96Å; F17-R37 HydrophobicContact CZ-CB 4.24Å; F17-R37 HydrophobicContact CZ-CG 4.06Å; Y31-R37 WeakPolarHBondContact O-CA 3.47Å; E32-R37 HydrophobicContact CG-CG 4.14Å; E32-R37 IonicContact OE1-CZ 3.88Å; E32-R37 IonicContact OE1-NE 2.76Å; E32-R37 PolarHBondContact OE1-NE 3.49Å; E32-R37 IonicContact OE1-NH2 3.41Å; E32-R37 PolarHBondContact OE1-NH2 2.82Å; R37-Y90 HydrophobicContact CB-CD1 3.97Å; R37-Y90 HydrophobicContact CB-CG 4.06Å; R37-Y90 WeakPolarHBondContact O-CB 3.47Å; R37-Y90 PolarHBondContact O-N 2.92Å
38V96.8Very high93.9Very high11 Ų1149.3 Ų49.37%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-123.6151.5175.4-59.20000110.7L9 G30 Y31 T33 V40 I74 V87 M88L9-V38 HydrophobicContact CD1-CG2 4.15Å; G30-V38 WeakPolarHBondContact CA-O 3.23Å; Y31-V38 PolarHBondContact N-O 3.5Å; Y31-V38 PolarHBondContact O-N 3.12Å; T33-V38 HydrophobicContact CG2-CG1 4.41Å; T33-V38 HydrophobicContact CG2-CG2 3.93Å; V38-V40 HydrophobicContact CG2-CG2 4.29Å; V38-I74 HydrophobicContact CG1-CD1 3.83Å; V38-V87 HydrophobicContact CB-CG1 3.88Å; V38-V87 HydrophobicContact CG1-CG1 4.27Å; V38-V87 HydrophobicContact CG2-CG1 4.13Å; V38-M88 CarbonylContact C-O 3.52Å; V38-M88 WeakPolarHBondContact CA-O 3.46Å
39F96.5Very high94.1Very high60 Ų6053.3 Ų53.326%0.26327%0.274SS..EExtended strand (participates in β ladder)trans-108.4133.6169.5-174.5-106000108.9K41 V87 M88 Y90F39-K41 HydrophobicContact CD1-CG 4.2Å; F39-K41 HydrophobicContact CE1-CG 3.67Å; F39-V87 WeakPolarHBondContact O-CA 3.36Å; F39-M88 HydrophobicContact CB-CG 4.11Å; F39-M88 HydrophobicContact CD1-CG 4.24Å; F39-M88 HydrophobicContact CD1-SD 4.19Å; F39-M88 PolarHBondContact N-O 3.48Å; F39-M88 PolarHBondContact O-N 2.92Å; F39-Y90 HydrophobicContact CB-CD2 4.27Å; F39-Y90 HydrophobicContact CD2-CD2 4.38Å
40V96.1Very high94.1Very high0 Ų056.8 Ų56.80%029%0.288CS..EExtended strand (participates in β ladder)trans-121.3120.6-178.2-175.20000109.1L5 G28 Q29 Y31 V38 I42 M85 F86 V87L5-V40 HydrophobicContact CD1-CG1 4.47Å; L5-V40 HydrophobicContact CD1-CG2 4.39Å; L5-V40 HydrophobicContact CD2-CG1 4.28Å; L5-V40 HydrophobicContact CD2-CG2 4.22Å; G28-V40 CarbonylContact C-O 3.58Å; G28-V40 WeakPolarHBondContact CA-O 3.45Å; Q29-V40 PolarHBondContact N-O 3.03Å; Q29-V40 PolarHBondContact O-N 3.16Å; Y31-V40 HydrophobicContact CD2-CB 4.11Å; Y31-V40 HydrophobicContact CD2-CG2 3.58Å; Y31-V40 HydrophobicContact CE2-CB 3.9Å; Y31-V40 HydrophobicContact CE2-CG2 3.79Å; V38-V40 HydrophobicContact CG2-CG2 4.29Å; V40-I42 HydrophobicContact CG1-CG1 4.02Å; V40-M85 HydrophobicContact CG1-CB 4.04Å; V40-M85 HydrophobicContact CG1-CG 4.39Å; V40-M85 HydrophobicContact CG1-SD 4.27Å; V40-F86 CarbonylContact C-O 3.6Å; V40-F86 WeakPolarHBondContact CA-O 3.48Å; V40-V87 HydrophobicContact CG1-CG2 4.4Å; V40-V87 HydrophobicContact CG2-CG1 4.14Å; V40-V87 HydrophobicContact CG2-CG2 4.15Å
41K95.6Very high94.2Very high13 Ų1357.5 Ų57.56%0.05729%0.291CS..EExtended strand (participates in β ladder)trans-90.7141.1166.2-64.9179.7172.9-177.10109.9Q27 F39 F52 E55 M85 F86 M88 D234Q27-K41 CarbonylContact O-C 3.59Å; Q27-K41 WeakPolarHBondContact O-CA 3.23Å; F39-K41 HydrophobicContact CD1-CG 4.2Å; F39-K41 HydrophobicContact CE1-CG 3.67Å; K41-F52 HydrophobicContact CB-CE1 3.69Å; K41-F52 HydrophobicContact CB-CZ 3.76Å; K41-F52 HydrophobicContact CD-CE1 4.02Å; K41-E55 IonicContact NZ-OE1 3.44Å; K41-E55 PolarHBondContact NZ-OE1 3.12Å; K41-E55 IonicContact NZ-OE2 2.76Å; K41-E55 PolarHBondContact NZ-OE2 2.93Å; K41-E55 VanDerWaalsContact NZ-OE2 3.1Å; K41-M85 CarbonylContact O-C 3.27Å; K41-M85 WeakPolarHBondContact O-CA 3.26Å; K41-F86 HydrophobicContact CB-CB 4.31Å; K41-F86 HydrophobicContact CD-CD1 4.47Å; K41-F86 PolarHBondContact N-O 2.94Å; K41-F86 PolarHBondContact O-N 3.49Å; K41-M88 HydrophobicContact CD-CE 3.85Å; K41-M88 HydrophobicContact CG-CE 4.21Å; K41-D234 WeakPolarHBondContact CE-OD1 3.13Å; K41-D234 IonicContact NZ-OD1 3.15Å; K41-D234 PolarHBondContact NZ-OD1 3.05Å; K41-D234 IonicContact NZ-OD2 2.82Å; K41-D234 PolarHBondContact NZ-OD2 3.16Å
42I94.3Very high94.3Very high11 Ų1156.8 Ų56.86%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-132.1131-175.6-56.3160.9000108.3M1 Q27 V40 L79 M85M1-I42 HydrophobicContact CE-CD1 3.74Å; M1-I42 HydrophobicContact CE-CG1 4.2Å; M1-I42 HydrophobicContact CE-CG2 3.63Å; M1-I42 HydrophobicContact SD-CD1 3.46Å; M1-I42 WeakPolarHBondContact SD-CD1 3.31Å; M1-I42 HydrophobicContact SD-CG1 4.22Å; Q27-I42 PolarHBondContact N-O 3.26Å; Q27-I42 PolarHBondContact O-N 3.27Å; V40-I42 HydrophobicContact CG1-CG1 4.02Å; I42-L79 HydrophobicContact CG2-CD1 3.87Å; I42-M85 HydrophobicContact CG1-CG 4.14Å
43N93.5Very high94.3Very high13 Ų1357.2 Ų57.27%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-146.3128.2173.7-168.9-34.2000110.8I25 S26 K45 A48 M51 F52 G83 A84I25-N43 PolarHBondContact O-ND2 3.47Å; I25-N43 VanDerWaalsContact O-ND2 3.16Å; S26-N43 PolarHBondContact OG-ND2 2.91Å; N43-K45 WeakPolarHBondContact OD1-CB 3.3Å; N43-K45 WeakPolarHBondContact OD1-CG 3.41Å; N43-K45 PolarHBondContact OD1-N 3.49Å; N43-A48 HydrophobicContact CB-CB 3.7Å; N43-A48 VanDerWaalsContact O-CB 3.32Å; N43-A48 WeakPolarHBondContact O-CB 3.4Å; N43-M51 HydrophobicContact CB-CE 4.42Å; N43-F52 HydrophobicContact CB-CE2 3.9Å; N43-F52 HydrophobicContact CB-CZ 3.85Å; N43-G83 CarbonylContact O-C 3.54Å; N43-G83 WeakPolarHBondContact O-CA 3.44Å; N43-A84 PolarHBondContact N-O 2.99Å; N43-A84 PolarHBondContact O-N 3.25Å
44H92.9Very high94.4Very high119 Ų11956.4 Ų56.455%0.55129%0.285SS*.  trans-90.3-4.3-175.1-66.3-73.8000114.1
45K91.4Very high94.6Very high118 Ų11853.4 Ų53.451%0.51327%0.268SS..SBendtrans-71.7147.7177.1-65-174.2-179.5-178.20110.7N43 Q47 A48 G83N43-K45 WeakPolarHBondContact OD1-CB 3.3Å; N43-K45 WeakPolarHBondContact OD1-CG 3.41Å; N43-K45 PolarHBondContact OD1-N 3.49Å; K45-Q47 PolarHBondContact O-N 3.03Å; K45-Q47 VanDerWaalsContact O-N 3.14Å; K45-A48 WeakPolarHBondContact O-CB 3.4Å; K45-A48 PolarHBondContact O-N 3.28Å; K45-G83 WeakPolarHBondContact O-CA 3.36Å
46S89.1Confident94.9Very high99 Ų9950.8 Ų50.869%0.69225%0.246SC*.THydrogen-bonded Turntrans-62-24.2-177.653.60000114A48S46-A48 VanDerWaalsContact C-N 3.33Å
47Q89.4Confident95.2Very high113 Ų11349.5 Ų49.553%0.52823%0.232SC..THydrogen-bonded Turntrans-84-5.1177.3-57.67910.700113.6K45 R49 K50 M51K45-Q47 PolarHBondContact O-N 3.03Å; K45-Q47 VanDerWaalsContact O-N 3.14Å; Q47-R49 VanDerWaalsContact C-N 3.29Å; Q47-R49 PolarHBondContact O-N 3.34Å; Q47-K50 PolarHBondContact O-N 2.72Å; Q47-M51 PolarHBondContact O-N 2.69Å; Q47-M51 VanDerWaalsContact O-N 3.11Å
48A93.3Very high95.3Very high1 Ų143.1 Ų43.11%0.00821%0.208CC..Hα-helixtrans-56.8-40.1-174.700000113N43 K45 S46 M51 F52 A84N43-A48 HydrophobicContact CB-CB 3.7Å; N43-A48 VanDerWaalsContact O-CB 3.32Å; N43-A48 WeakPolarHBondContact O-CB 3.4Å; K45-A48 WeakPolarHBondContact O-CB 3.4Å; K45-A48 PolarHBondContact O-N 3.28Å; S46-A48 VanDerWaalsContact C-N 3.33Å; A48-M51 WeakPolarHBondContact O-CB 3.35Å; A48-M51 PolarHBondContact O-N 2.99Å; A48-F52 HydrophobicContact CB-CD2 4.42Å; A48-F52 HydrophobicContact CB-CE2 4.24Å; A48-F52 WeakPolarHBondContact O-CB 3.13Å; A48-F52 VanDerWaalsContact O-CD2 3.27Å; A48-F52 WeakPolarHBondContact O-CD2 3.45Å; A48-F52 WeakPolarHBondContact O-CG 3.37Å; A48-F52 PolarHBondContact O-N 3.15Å; A48-A84 HydrophobicContact CB-CB 4.1Å
49R95.1Very high95.4Very high86 Ų8642.7 Ų42.733%0.32521%0.205SC..Hα-helixtrans-59.7-51.9179.1-179.5169.8-175.996.516.6111.5Q47 M51 F52 E53 V76 D78 A84Q47-R49 VanDerWaalsContact C-N 3.29Å; Q47-R49 PolarHBondContact O-N 3.34Å; R49-M51 VanDerWaalsContact C-N 3.28Å; R49-M51 PolarHBondContact O-N 3.01Å; R49-F52 PolarHBondContact O-N 3.3Å; R49-E53 HydrophobicContact CG-CG 4.25Å; R49-E53 IonicContact CZ-OE1 3.24Å; R49-E53 IonicContact NE-OE1 3.53Å; R49-E53 PolarHBondContact NE-OE1 2.83Å; R49-E53 IonicContact NH2-OE1 2.69Å; R49-E53 PolarHBondContact NH2-OE1 3.15Å; R49-E53 WeakPolarHBondContact O-CB 3.28Å; R49-E53 WeakPolarHBondContact O-CG 3.22Å; R49-E53 PolarHBondContact O-N 3.05Å; R49-V76 HydrophobicContact CG-CG1 4.31Å; R49-D78 WeakPolarHBondContact CD-OD1 3.37Å; R49-D78 IonicContact CZ-OD2 3.21Å; R49-D78 VanDerWaalsContact NH1-CG 3.28Å; R49-D78 IonicContact NH1-OD1 3.81Å; R49-D78 PolarHBondContact NH1-OD1 2.76Å; R49-D78 IonicContact NH1-OD2 3.16Å; R49-D78 PolarHBondContact NH1-OD2 3.08Å; R49-A84 HydrophobicContact CB-CB 4.01Å
50K95Very high95.5Very high102 Ų10243 Ų4344%0.44321%0.207SC..Hα-helixtrans-58.6-42178.5-176.9176.8-179.1177.50111.6Q47 G54Q47-K50 PolarHBondContact O-N 2.72Å; K50-G54 PolarHBondContact O-N 3.28Å
51M95.7Very high95.6Very high19 Ų1943.7 Ų43.79%0.09421%0.213CC..Hα-helixtrans-61.3-49.5177.1-177.2-17574.900111.6I25 N43 Q47 A48 R49 G54 E55 C150I25-M51 HydrophobicContact CG2-CE 4.5Å; I25-M51 HydrophobicContact CG2-SD 4.08Å; N43-M51 HydrophobicContact CB-CE 4.42Å; Q47-M51 PolarHBondContact O-N 2.69Å; Q47-M51 VanDerWaalsContact O-N 3.11Å; A48-M51 WeakPolarHBondContact O-CB 3.35Å; A48-M51 PolarHBondContact O-N 2.99Å; R49-M51 VanDerWaalsContact C-N 3.28Å; R49-M51 PolarHBondContact O-N 3.01Å; M51-G54 PolarHBondContact O-N 2.87Å; M51-E55 PolarHBondContact O-N 2.87Å; M51-C150 HydrophobicContact CB-CB 4.45Å; M51-C150 HydrophobicContact CG-CB 3.96Å
52F97.3Very high95.7Very high1 Ų143 Ų430%0.00421%0.211CC..Hα-helixtrans-70.9-33.1-179.4-70.5-38.6000113.8K41 N43 A48 R49 G54 E55 M56 V76 A84 F86K41-F52 HydrophobicContact CB-CE1 3.69Å; K41-F52 HydrophobicContact CB-CZ 3.76Å; K41-F52 HydrophobicContact CD-CE1 4.02Å; N43-F52 HydrophobicContact CB-CE2 3.9Å; N43-F52 HydrophobicContact CB-CZ 3.85Å; A48-F52 HydrophobicContact CB-CD2 4.42Å; A48-F52 HydrophobicContact CB-CE2 4.24Å; A48-F52 WeakPolarHBondContact O-CB 3.13Å; A48-F52 VanDerWaalsContact O-CD2 3.27Å; A48-F52 WeakPolarHBondContact O-CD2 3.45Å; A48-F52 WeakPolarHBondContact O-CG 3.37Å; A48-F52 PolarHBondContact O-N 3.15Å; R49-F52 PolarHBondContact O-N 3.3Å; F52-G54 VanDerWaalsContact C-N 3.34Å; F52-E55 PolarHBondContact O-N 3.03Å; F52-M56 VanDerWaalsContact O-CB 3.26Å; F52-M56 WeakPolarHBondContact O-CB 3.28Å; F52-M56 PolarHBondContact O-N 3.06Å; F52-V76 HydrophobicContact CB-CG1 3.92Å; F52-V76 HydrophobicContact CB-CG2 3.87Å; F52-A84 HydrophobicContact CD2-CB 3.9Å; F52-A84 HydrophobicContact CE2-CB 4.39Å; F52-A84 WeakPolarHBondContact CE2-O 3.36Å; F52-F86 HydrophobicContact CB-CB 3.8Å; F52-F86 HydrophobicContact CB-CD1 4.48Å; F52-F86 HydrophobicContact CB-CG 4.19Å; F52-F86 HydrophobicContact CD1-CB 3.52Å; F52-F86 AromaticContact CD1-CD1 4Å; F52-F86 HydrophobicContact CD1-CD1 4Å; F52-F86 HydrophobicContact CD1-CG 4.16Å; F52-F86 HydrophobicContact CD2-CB 3.96Å; F52-F86 HydrophobicContact CE1-CB 4.03Å; F52-F86 HydrophobicContact CE2-CB 4.42Å; F52-F86 HydrophobicContact CG-CB 3.5Å; F52-F86 HydrophobicContact CG-CG 4.28Å; F52-F86 HydrophobicContact CZ-CB 4.45Å
53E97.5Very high95.9Very high74 Ų7445.8 Ų45.835%0.34622%0.223SC..Hα-helixtrans-64.5-40.1171.7-74.7175159.700111.3R49 M56 A57 V76R49-E53 HydrophobicContact CG-CG 4.25Å; R49-E53 IonicContact CZ-OE1 3.24Å; R49-E53 IonicContact NE-OE1 3.53Å; R49-E53 PolarHBondContact NE-OE1 2.83Å; R49-E53 IonicContact NH2-OE1 2.69Å; R49-E53 PolarHBondContact NH2-OE1 3.15Å; R49-E53 WeakPolarHBondContact O-CB 3.28Å; R49-E53 WeakPolarHBondContact O-CG 3.22Å; R49-E53 PolarHBondContact O-N 3.05Å; E53-M56 PolarHBondContact O-N 3.2Å; E53-A57 WeakPolarHBondContact O-CB 3.31Å; E53-A57 PolarHBondContact O-N 2.87Å; E53-V76 HydrophobicContact CG-CB 4.4Å; E53-V76 HydrophobicContact CG-CG1 4.32Å; E53-V76 HydrophobicContact CG-CG2 4.28Å
54G98.1Very high96Very high0 Ų051 Ų510%025%0.245CC..Hα-helixtrans-63.7-43.7173.300000112.9K50 M51 F52 S58 A148K50-G54 PolarHBondContact O-N 3.28Å; M51-G54 PolarHBondContact O-N 2.87Å; F52-G54 VanDerWaalsContact C-N 3.34Å; G54-S58 WeakPolarHBondContact O-CB 3.36Å; G54-S58 PolarHBondContact O-N 3.36Å; G54-S58 PolarHBondContact O-OG 3.26Å; G54-A148 VanDerWaalsContact CA-O 3.31Å; G54-A148 WeakPolarHBondContact CA-O 3.37Å
55E98.4Very high96.2Very high17 Ų1745.9 Ų45.98%0.07922%0.222CC..Hα-helixtrans-64.1-44.5176-165.6-171.614400111.5K41 M51 F52 S58 L59 F86 P235K41-E55 IonicContact NZ-OE1 3.44Å; K41-E55 PolarHBondContact NZ-OE1 3.12Å; K41-E55 IonicContact NZ-OE2 2.76Å; K41-E55 PolarHBondContact NZ-OE2 2.93Å; K41-E55 VanDerWaalsContact NZ-OE2 3.1Å; M51-E55 PolarHBondContact O-N 2.87Å; F52-E55 PolarHBondContact O-N 3.03Å; E55-S58 WeakPolarHBondContact O-CB 3.47Å; E55-S58 PolarHBondContact O-N 3.27Å; E55-L59 HydrophobicContact CG-CD1 4.39Å; E55-L59 WeakPolarHBondContact O-CG 3.29Å; E55-L59 PolarHBondContact O-N 3.18Å; E55-F86 HydrophobicContact CB-CD1 4.4Å; E55-F86 HydrophobicContact CB-CE1 4.05Å; E55-F86 HydrophobicContact CG-CD1 4.38Å; E55-F86 HydrophobicContact CG-CE1 3.87Å; E55-F86 WeakPolarHBondContact OE1-CE1 3.36Å; E55-P235 HydrophobicContact CG-CG 4.5Å
56M98.5Very high96.5Very high39 Ų3947.2 Ų47.219%0.19224%0.235CC..Hα-helixtrans-57.7-51.5175.4175.6162178.100111.5F52 E53 S58 L59 E60 P73 V76 F86F52-M56 VanDerWaalsContact O-CB 3.26Å; F52-M56 WeakPolarHBondContact O-CB 3.28Å; F52-M56 PolarHBondContact O-N 3.06Å; E53-M56 PolarHBondContact O-N 3.2Å; M56-S58 PolarHBondContact O-N 2.74Å; M56-L59 PolarHBondContact O-N 2.93Å; M56-E60 WeakPolarHBondContact CE-OE1 3.32Å; M56-E60 WeakPolarHBondContact O-CG 3.41Å; M56-E60 PolarHBondContact O-N 2.94Å; M56-P73 HydrophobicContact CG-CB 3.95Å; M56-V76 HydrophobicContact CB-CG2 4.26Å; M56-V76 HydrophobicContact SD-CG2 3.95Å; M56-F86 HydrophobicContact CB-CE2 3.74Å; M56-F86 HydrophobicContact CB-CZ 3.73Å; M56-F86 HydrophobicContact CG-CE2 4.12Å; M56-F86 HydrophobicContact CG-CZ 4.37Å; M56-F86 HydrophobicContact SD-CE2 4.2Å
57A98.4Very high96.9Very high10 Ų1043.5 Ų43.58%0.08321%0.208CC..Hα-helixtrans-61.3-32.8178.200000112.9E53 A61 F145 T147E53-A57 WeakPolarHBondContact O-CB 3.31Å; E53-A57 PolarHBondContact O-N 2.87Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.31Å; A57-A61 PolarHBondContact O-N 3.33Å; A57-F145 HydrophobicContact CB-CE1 4.12Å; A57-T147 HydrophobicContact CB-CG2 3.49Å; A57-T147 VanDerWaalsContact CB-CG2 3.49Å
58S98.7Very high97.3Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-68.4-47.6175.8-610000111.6G54 E55 M56 E60 A61 I62 T149 P235 S237G54-S58 WeakPolarHBondContact O-CB 3.36Å; G54-S58 PolarHBondContact O-N 3.36Å; G54-S58 PolarHBondContact O-OG 3.26Å; E55-S58 WeakPolarHBondContact O-CB 3.47Å; E55-S58 PolarHBondContact O-N 3.27Å; M56-S58 PolarHBondContact O-N 2.74Å; S58-E60 PolarHBondContact O-N 2.97Å; S58-A61 PolarHBondContact O-N 3.04Å; S58-I62 WeakPolarHBondContact O-CG1 3.33Å; S58-I62 PolarHBondContact O-N 2.63Å; S58-T149 WeakPolarHBondContact OG-CG2 3.33Å; S58-P235 VanDerWaalsContact CB-CG 3.45Å; S58-S237 WeakPolarHBondContact CB-OG 3.46Å; S58-S237 WeakPolarHBondContact OG-CB 3.25Å; S58-S237 PolarHBondContact OG-N 3.21Å; S58-S237 VanDerWaalsContact OG-N 3.14Å
59L98.6Very high97.6Very high1 Ų143.3 Ų43.31%0.00520%0.203CC..Hα-helixtrans-60.8-44.5175.8-70.8167.3000111.5E55 M56 A61 I62 Q63 V70 P73 F86 P235E55-L59 HydrophobicContact CG-CD1 4.39Å; E55-L59 WeakPolarHBondContact O-CG 3.29Å; E55-L59 PolarHBondContact O-N 3.18Å; M56-L59 PolarHBondContact O-N 2.93Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 3.37Å; L59-I62 PolarHBondContact O-N 2.75Å; L59-Q63 VanDerWaalsContact O-CB 3.23Å; L59-Q63 WeakPolarHBondContact O-CB 3.43Å; L59-Q63 PolarHBondContact O-N 3.14Å; L59-V70 HydrophobicContact CD2-CB 3.72Å; L59-V70 HydrophobicContact CD2-CG1 4.21Å; L59-V70 HydrophobicContact CD2-CG2 4.28Å; L59-P73 HydrophobicContact CB-CB 4.22Å; L59-P73 HydrophobicContact CB-CG 3.92Å; L59-P73 HydrophobicContact CD1-CB 4.32Å; L59-F86 HydrophobicContact CD1-CE1 3.72Å; L59-F86 HydrophobicContact CD1-CZ 3.66Å; L59-P235 HydrophobicContact CD2-CG 3.81Å; L59-P235 HydrophobicContact CG-CG 3.79Å
60E98.3Very high97.7Very high66 Ų6639.4 Ų39.431%0.30819%0.189SC..Hα-helixtrans-60.6-43.3175.5-71.2179.5172.500112M56 S58 Q63 K64 P73M56-E60 WeakPolarHBondContact CE-OE1 3.32Å; M56-E60 WeakPolarHBondContact O-CG 3.41Å; M56-E60 PolarHBondContact O-N 2.94Å; S58-E60 PolarHBondContact O-N 2.97Å; E60-Q63 PolarHBondContact O-N 3.35Å; E60-K64 WeakPolarHBondContact O-CB 3.2Å; E60-K64 VanDerWaalsContact O-CG 3.23Å; E60-K64 WeakPolarHBondContact O-CG 3.49Å; E60-K64 PolarHBondContact O-N 2.93Å; E60-P73 HydrophobicContact CG-CG 3.52Å
61A98Very high97.8Very high15 Ų1534.7 Ų34.712%0.12417%0.169CC..Hα-helixtrans-62.8-45.1178.800000111.7A57 S58 L59 T65 F145 L213A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.31Å; A57-A61 PolarHBondContact O-N 3.33Å; S58-A61 PolarHBondContact O-N 3.04Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 3.37Å; A61-T65 WeakPolarHBondContact O-CG2 3.43Å; A61-F145 HydrophobicContact CB-CE2 4.15Å; A61-F145 HydrophobicContact CB-CZ 3.88Å; A61-L213 HydrophobicContact CB-CD1 4.29Å; A61-L213 HydrophobicContact CB-CD2 4.02Å
62I98.5Very high97.9Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-67-45.5178.1-63.9167000110.4S58 L59 K64 T65 V68 V70 L110 L213 I232 P235S58-I62 WeakPolarHBondContact O-CG1 3.33Å; S58-I62 PolarHBondContact O-N 2.63Å; L59-I62 PolarHBondContact O-N 2.75Å; I62-K64 VanDerWaalsContact C-N 3.28Å; I62-K64 PolarHBondContact O-N 3.32Å; I62-T65 WeakPolarHBondContact O-CB 3.5Å; I62-T65 PolarHBondContact O-N 3.4Å; I62-T65 PolarHBondContact O-OG1 3.45Å; I62-V68 HydrophobicContact CG2-CG1 3.61Å; I62-V70 HydrophobicContact CB-CG1 4.07Å; I62-V70 HydrophobicContact CD1-CG1 4.43Å; I62-V70 HydrophobicContact CG2-CG1 3.52Å; I62-V70 HydrophobicContact CG2-CG2 4.48Å; I62-L110 HydrophobicContact CG2-CD1 4.26Å; I62-L110 HydrophobicContact CG2-CD2 4.43Å; I62-L213 HydrophobicContact CG1-CD2 4.23Å; I62-I232 HydrophobicContact CD1-CD1 4.36Å; I62-I232 HydrophobicContact CG2-CD1 4.39Å; I62-P235 HydrophobicContact CD1-CB 3.9Å; I62-P235 HydrophobicContact CD1-CG 4.31Å
63Q97.6Very high98Very high68 Ų6839.2 Ų39.232%0.31819%0.191SC..Hα-helixtrans-57.2-41.6-179.8-171.11773600111.8L59 E60 T65 N66 V70L59-Q63 VanDerWaalsContact O-CB 3.23Å; L59-Q63 WeakPolarHBondContact O-CB 3.43Å; L59-Q63 PolarHBondContact O-N 3.14Å; E60-Q63 PolarHBondContact O-N 3.35Å; Q63-T65 PolarHBondContact O-N 3.22Å; Q63-T65 VanDerWaalsContact O-N 3.15Å; Q63-N66 PolarHBondContact O-N 3.35Å; Q63-N66 VanDerWaalsContact O-N 3.08Å; Q63-V70 HydrophobicContact CB-CG2 3.86Å; Q63-V70 HydrophobicContact CG-CG2 4.48Å
64K96.4Very high97.9Very high124 Ų12439.1 Ų39.154%0.53919%0.192SC..Hα-helixtrans-58.9-24.6177.1-78.1170.8-174.5175.90113.9E60 I62 N66 F137E60-K64 WeakPolarHBondContact O-CB 3.2Å; E60-K64 VanDerWaalsContact O-CG 3.23Å; E60-K64 WeakPolarHBondContact O-CG 3.49Å; E60-K64 PolarHBondContact O-N 2.93Å; I62-K64 VanDerWaalsContact C-N 3.28Å; I62-K64 PolarHBondContact O-N 3.32Å; K64-N66 VanDerWaalsContact C-N 3.33Å; K64-F137 HydrophobicContact CB-CE1 4.16Å
65T97.1Very high97.9Very high11 Ų1143.1 Ų43.17%0.06721%0.209CC..THydrogen-bonded Turntrans-78.1-17.1179.273.60000113.6A61 I62 Q63 T67 L110 Y113 L213A61-T65 WeakPolarHBondContact O-CG2 3.43Å; I62-T65 WeakPolarHBondContact O-CB 3.5Å; I62-T65 PolarHBondContact O-N 3.4Å; I62-T65 PolarHBondContact O-OG1 3.45Å; Q63-T65 PolarHBondContact O-N 3.22Å; Q63-T65 VanDerWaalsContact O-N 3.15Å; T65-T67 WeakPolarHBondContact O-CG2 3.49Å; T65-T67 PolarHBondContact O-N 2.99Å; T65-T67 VanDerWaalsContact O-N 3.15Å; T65-T67 PolarHBondContact OG1-N 2.74Å; T65-T67 PolarHBondContact OG1-OG1 3.44Å; T65-L110 HydrophobicContact CG2-CD1 3.86Å; T65-L110 WeakPolarHBondContact OG1-CD1 3.24Å; T65-Y113 HydrophobicContact CG2-CD1 3.71Å; T65-Y113 HydrophobicContact CG2-CD2 4.16Å; T65-Y113 HydrophobicContact CG2-CE1 3.93Å; T65-Y113 HydrophobicContact CG2-CE2 4.35Å; T65-Y113 HydrophobicContact CG2-CG 3.84Å; T65-L213 HydrophobicContact CG2-CD2 3.89Å
66N96.9Very high97.8Very high145 Ų14543 Ų4378%0.77521%0.209SC*.THydrogen-bonded Turntrans51.530.1-174.6-63.6-61.6000114.3Q63 K64Q63-N66 PolarHBondContact O-N 3.35Å; Q63-N66 VanDerWaalsContact O-N 3.08Å; K64-N66 VanDerWaalsContact C-N 3.33Å
67T98.1Very high97.7Very high21 Ų2141.5 Ų41.513%0.12920%0.202CC..SBendtrans-95.6-45.5-176.156.10000113.3T65 Q106 D109 L110T65-T67 WeakPolarHBondContact O-CG2 3.49Å; T65-T67 PolarHBondContact O-N 2.99Å; T65-T67 VanDerWaalsContact O-N 3.15Å; T65-T67 PolarHBondContact OG1-N 2.74Å; T65-T67 PolarHBondContact OG1-OG1 3.44Å; T67-Q106 VanDerWaalsContact O-CG 3.3Å; T67-Q106 WeakPolarHBondContact O-CG 3.32Å; T67-Q106 PolarHBondContact O-NE2 2.66Å; T67-D109 HydrophobicContact CG2-CB 4.07Å; T67-L110 WeakPolarHBondContact OG1-CB 3.49Å; T67-L110 WeakPolarHBondContact OG1-CD1 3.45Å
68V98.2Very high97.6Very high9 Ų945.1 Ų45.16%0.05522%0.22CC..SBendtrans-135.7148.3-176.162.80000109.9I62 L103 Q106 L110 I232I62-V68 HydrophobicContact CG2-CG1 3.61Å; V68-L103 HydrophobicContact CG2-CD1 4.04Å; V68-Q106 HydrophobicContact CB-CB 4.08Å; V68-Q106 HydrophobicContact CG2-CB 4.3Å; V68-L110 HydrophobicContact CG1-CD2 4.31Å; V68-I232 HydrophobicContact CB-CD1 4.44Å; V68-I232 HydrophobicContact CG1-CD1 3.49Å; V68-I232 VanDerWaalsContact CG1-CD1 3.49Å; V68-I232 HydrophobicContact CG1-CG1 4.13Å; V68-I232 HydrophobicContact CG2-CD1 4.11Å; V68-I232 HydrophobicContact CG2-CG1 4.21Å; V68-I232 HydrophobicContact CG2-CG2 4.06Å
69R98.2Very high97.3Very high102 Ų10245.8 Ų45.839%0.38522%0.224SC..BIsolated β-bridgetrans-75.1132.3179.8-177.560-178.2-136.41.6110.5E89 P230 I231 I232R69-E89 IonicContact CZ-OE1 3.68Å; R69-E89 IonicContact CZ-OE2 2.63Å; R69-E89 IonicContact NE-OE2 3.59Å; R69-E89 IonicContact NH2-OE1 2.72Å; R69-E89 PolarHBondContact NH2-OE1 2.95Å; R69-E89 IonicContact NH2-OE2 3.96Å; R69-E89 PolarHBondContact NH2-OE2 2.78Å; R69-P230 WeakPolarHBondContact CB-O 3.45Å; R69-I231 HydrophobicContact CB-CG1 4.17Å; R69-I231 HydrophobicContact CG-CG1 3.89Å; R69-I231 HydrophobicContact CG-CG2 4.45Å; R69-I231 WeakPolarHBondContact O-CA 3.42Å; R69-I232 PolarHBondContact O-N 3.28Å
70V98.4Very high96.8Very high3 Ų350.4 Ų50.42%0.01825%0.254CS..  trans-127.6155.8168.1-64.60000109.5L59 I62 Q63 Q72 I232L59-V70 HydrophobicContact CD2-CB 3.72Å; L59-V70 HydrophobicContact CD2-CG1 4.21Å; L59-V70 HydrophobicContact CD2-CG2 4.28Å; I62-V70 HydrophobicContact CB-CG1 4.07Å; I62-V70 HydrophobicContact CD1-CG1 4.43Å; I62-V70 HydrophobicContact CG2-CG1 3.52Å; I62-V70 HydrophobicContact CG2-CG2 4.48Å; Q63-V70 HydrophobicContact CB-CG2 3.86Å; Q63-V70 HydrophobicContact CG-CG2 4.48Å; V70-Q72 PolarHBondContact O-N 2.78Å; V70-I232 WeakPolarHBondContact CA-O 3.39Å; V70-I232 HydrophobicContact CG1-CD1 4.28Å; V70-I232 HydrophobicContact CG1-CG1 3.59Å
71P97.8Very high96.1Very high3 Ų351.8 Ų51.82%0.01929%0.286CS..PPolyproline II helixtrans-57132.8167-20.129.7000110.6P73 M88 L91 M93 I232 F233P71-P73 VanDerWaalsContact O-CD 3.31Å; P71-P73 WeakPolarHBondContact O-CD 3.29Å; P71-M88 HydrophobicContact CB-CB 4.37Å; P71-M88 HydrophobicContact CB-CG 4.21Å; P71-M88 HydrophobicContact CB-SD 3.92Å; P71-M88 HydrophobicContact CG-SD 4.29Å; P71-L91 HydrophobicContact CB-CD1 4.25Å; P71-L91 HydrophobicContact CG-CD1 4.05Å; P71-M93 HydrophobicContact CG-CE 4.07Å; P71-I232 WeakPolarHBondContact CD-O 3.37Å; P71-F233 HydrophobicContact CG-CB 4.01Å
72Q97.7Very high95.7Very high103 Ų10352.7 Ų52.748%0.48130%0.297SS..PPolyproline II helixtrans-66.2119.5174.6-180176.3-7.500110.2V70 M88 E89V70-Q72 PolarHBondContact O-N 2.78Å; Q72-M88 CarbonylContact O-C 3.56Å; Q72-M88 VanDerWaalsContact O-CA 3.3Å; Q72-M88 WeakPolarHBondContact O-CA 3.48Å; Q72-M88 WeakPolarHBondContact O-CB 3.48Å; Q72-E89 HydrophobicContact CB-CB 3.97Å; Q72-E89 PolarHBondContact N-OE2 2.68Å; Q72-E89 VanDerWaalsContact N-OE2 3.15Å; Q72-E89 PolarHBondContact O-N 2.86Å
73P97.7Very high95.5Very high12 Ų1253.1 Ų53.18%0.07830%0.301CS..EExtended strand (participates in β ladder)trans-71141.3175.729.2-31.8000110.3M56 L59 E60 P71 F86M56-P73 HydrophobicContact CG-CB 3.95Å; L59-P73 HydrophobicContact CB-CB 4.22Å; L59-P73 HydrophobicContact CB-CG 3.92Å; L59-P73 HydrophobicContact CD1-CB 4.32Å; E60-P73 HydrophobicContact CG-CG 3.52Å; P71-P73 VanDerWaalsContact O-CD 3.31Å; P71-P73 WeakPolarHBondContact O-CD 3.29Å; P73-F86 HydrophobicContact CB-CE2 4.04Å; P73-F86 HydrophobicContact CB-CZ 3.85Å
74I96.9Very high95.5Very high72 Ų7249.9 Ų49.937%0.36929%0.286SS..EExtended strand (participates in β ladder)trans-113.7-60.1-179.1-60.2172.1000110.4L9 V38 V87L9-I74 HydrophobicContact CD2-CG2 4.05Å; V38-I74 HydrophobicContact CG1-CD1 3.83Å; I74-V87 WeakPolarHBondContact CA-O 3.31Å; I74-V87 HydrophobicContact CB-CB 4.36Å; I74-V87 HydrophobicContact CB-CG1 4.37Å; I74-V87 WeakPolarHBondContact CB-O 3.42Å; I74-V87 HydrophobicContact CD1-CG1 4.21Å; I74-V87 PolarHBondContact N-O 3.47Å
75K96.6Very high95.5Very high85 Ų8544 Ų4437%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-165.2146-174.6-159.4167.5-171.9174.80114.2E8 I77 V87E8-K75 VanDerWaalsContact OE2-CE 3.31Å; E8-K75 WeakPolarHBondContact OE2-CE 3.39Å; E8-K75 IonicContact OE2-NZ 3.92Å; E8-K75 PolarHBondContact OE2-NZ 3.15Å; K75-I77 HydrophobicContact CB-CG1 4.4Å; K75-I77 HydrophobicContact CD-CG1 4.25Å; K75-I77 HydrophobicContact CG-CG1 4.1Å; K75-V87 PolarHBondContact N-O 3.44Å; K75-V87 VanDerWaalsContact N-O 3.12Å; K75-V87 PolarHBondContact O-N 3.23Å
76V97.6Very high95.5Very high13 Ų1343.5 Ų43.58%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-99130.6164-176.70000110.2R49 F52 E53 M56 A84 M85 F86R49-V76 HydrophobicContact CG-CG1 4.31Å; F52-V76 HydrophobicContact CB-CG1 3.92Å; F52-V76 HydrophobicContact CB-CG2 3.87Å; E53-V76 HydrophobicContact CG-CB 4.4Å; E53-V76 HydrophobicContact CG-CG1 4.32Å; E53-V76 HydrophobicContact CG-CG2 4.28Å; M56-V76 HydrophobicContact CB-CG2 4.26Å; M56-V76 HydrophobicContact SD-CG2 3.95Å; V76-A84 HydrophobicContact CG1-CB 4.32Å; V76-M85 CarbonylContact C-O 3.49Å; V76-M85 WeakPolarHBondContact CA-O 3.47Å; V76-F86 HydrophobicContact CG2-CD2 3.85Å; V76-F86 HydrophobicContact CG2-CE2 4.4Å; V76-F86 HydrophobicContact CG2-CG 4.4Å
77I96.9Very high95.5Very high8 Ų836.6 Ų36.64%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-130132-171.9-56.7164.8000109.6I4 L5 E8 K75 A84 M85 V87I4-I77 HydrophobicContact CG2-CG2 3.53Å; L5-I77 HydrophobicContact CD2-CD1 4.04Å; E8-I77 HydrophobicContact CB-CD1 3.6Å; E8-I77 HydrophobicContact CB-CG1 4.24Å; E8-I77 HydrophobicContact CG-CD1 3.86Å; E8-I77 HydrophobicContact CG-CG1 4.1Å; E8-I77 HydrophobicContact CG-CG2 3.97Å; K75-I77 HydrophobicContact CB-CG1 4.4Å; K75-I77 HydrophobicContact CD-CG1 4.25Å; K75-I77 HydrophobicContact CG-CG1 4.1Å; I77-A84 CarbonylContact O-C 3.58Å; I77-A84 VanDerWaalsContact O-CA 3.26Å; I77-A84 WeakPolarHBondContact O-CA 3.35Å; I77-M85 HydrophobicContact CB-CB 4.44Å; I77-M85 HydrophobicContact CB-CE 3.96Å; I77-M85 HydrophobicContact CD1-CE 4.3Å; I77-M85 HydrophobicContact CG2-CE 3.72Å; I77-M85 PolarHBondContact N-O 3.47Å; I77-M85 PolarHBondContact O-N 3.01Å; I77-V87 HydrophobicContact CD1-CG2 3.79Å
78D95.3Very high95.5Very high86 Ų8635.8 Ų35.846%0.4622%0.215SC..EExtended strand (participates in β ladder)trans-72.9143.2175.4-69.7-52.2000112.7R49R49-D78 WeakPolarHBondContact CD-OD1 3.37Å; R49-D78 IonicContact CZ-OD2 3.21Å; R49-D78 VanDerWaalsContact NH1-CG 3.28Å; R49-D78 IonicContact NH1-OD1 3.81Å; R49-D78 PolarHBondContact NH1-OD1 2.76Å; R49-D78 IonicContact NH1-OD2 3.16Å; R49-D78 PolarHBondContact NH1-OD2 3.08Å
79L92.8Very high95.4Very high14 Ų1437.7 Ų37.77%0.07322%0.224CC..PPolyproline II helixtrans-91.8138.4174.2-71.5171000111.1M1 I42 G81 G82 G83 M85M1-L79 HydrophobicContact CE-CD2 4.11Å; M1-L79 HydrophobicContact CG-CD2 4.37Å; I42-L79 HydrophobicContact CG2-CD1 3.87Å; L79-G81 PolarHBondContact O-N 3Å; L79-G82 PolarHBondContact O-N 3.39Å; L79-G82 VanDerWaalsContact O-N 3.12Å; L79-G83 PolarHBondContact N-O 3.21Å; L79-M85 HydrophobicContact CD1-CG 4.18Å; L79-M85 HydrophobicContact CD2-CE 3.9Å; L79-M85 HydrophobicContact CD2-CG 3.5Å; L79-M85 VanDerWaalsContact CD2-CG 3.5Å; L79-M85 HydrophobicContact CD2-SD 3.64Å; L79-M85 HydrophobicContact CG-CG 3.86Å
80P87.2Confident95.3Very high98 Ų9836.4 Ų36.464%0.63622%0.219SC*.THydrogen-bonded Turntrans-59.1127.6166.4-20.732000109.7I4I4-P80 HydrophobicContact CD1-CG 3.28Å
81G84.3Confident95.2Very high95 Ų9537.3 Ų37.398%0.97922%0.224SC*.THydrogen-bonded Turntrans88.33.4-177.800000115.1L79L79-G81 PolarHBondContact O-N 3Å
82G90.1Very high94.9Very high35 Ų3545.3 Ų45.336%0.36126%0.258SS..SBendtrans106.5152.8173.300000114.1L79L79-G82 PolarHBondContact O-N 3.39Å; L79-G82 VanDerWaalsContact O-N 3.12Å
83G94.3Very high94.8Very high9 Ų943.7 Ų43.79%0.09325%0.252CS..  trans88.9-172.9-170.900000113.2N43 K45 L79N43-G83 CarbonylContact O-C 3.54Å; N43-G83 WeakPolarHBondContact O-CA 3.44Å; K45-G83 WeakPolarHBondContact O-CA 3.36Å; L79-G83 PolarHBondContact N-O 3.21Å
84A96.6Very high94.6Very high0 Ų047.4 Ų47.40%027%0.267CS..EExtended strand (participates in β ladder)trans-147166.7-174.800000112N43 A48 R49 F52 V76 I77N43-A84 PolarHBondContact N-O 2.99Å; N43-A84 PolarHBondContact O-N 3.25Å; A48-A84 HydrophobicContact CB-CB 4.1Å; R49-A84 HydrophobicContact CB-CB 4.01Å; F52-A84 HydrophobicContact CD2-CB 3.9Å; F52-A84 HydrophobicContact CE2-CB 4.39Å; F52-A84 WeakPolarHBondContact CE2-O 3.36Å; V76-A84 HydrophobicContact CG1-CB 4.32Å; I77-A84 CarbonylContact O-C 3.58Å; I77-A84 VanDerWaalsContact O-CA 3.26Å; I77-A84 WeakPolarHBondContact O-CA 3.35Å
85M96.1Very high94.4Very high0 Ų050.2 Ų50.20%028%0.278CS..EExtended strand (participates in β ladder)trans-118.5147.8168.1-58.5-178.8-69.100109.8M1 I4 L5 V40 K41 I42 V76 I77 L79M1-M85 HydrophobicContact CG-CE 4.41Å; M1-M85 HydrophobicContact CG-SD 3.47Å; M1-M85 WeakPolarHBondContact CG-SD 3.44Å; M1-M85 HydrophobicContact SD-SD 4.1Å; I4-M85 HydrophobicContact CG2-CE 4.19Å; L5-M85 HydrophobicContact CD1-SD 4.14Å; L5-M85 HydrophobicContact CD2-CE 3.82Å; L5-M85 HydrophobicContact CD2-SD 3.96Å; L5-M85 HydrophobicContact CG-CE 3.91Å; L5-M85 HydrophobicContact CG-SD 3.97Å; V40-M85 HydrophobicContact CG1-CB 4.04Å; V40-M85 HydrophobicContact CG1-CG 4.39Å; V40-M85 HydrophobicContact CG1-SD 4.27Å; K41-M85 CarbonylContact O-C 3.27Å; K41-M85 WeakPolarHBondContact O-CA 3.26Å; I42-M85 HydrophobicContact CG1-CG 4.14Å; V76-M85 CarbonylContact C-O 3.49Å; V76-M85 WeakPolarHBondContact CA-O 3.47Å; I77-M85 HydrophobicContact CB-CB 4.44Å; I77-M85 HydrophobicContact CB-CE 3.96Å; I77-M85 HydrophobicContact CD1-CE 4.3Å; I77-M85 HydrophobicContact CG2-CE 3.72Å; I77-M85 PolarHBondContact N-O 3.47Å; I77-M85 PolarHBondContact O-N 3.01Å; L79-M85 HydrophobicContact CD1-CG 4.18Å; L79-M85 HydrophobicContact CD2-CE 3.9Å; L79-M85 HydrophobicContact CD2-CG 3.5Å; L79-M85 VanDerWaalsContact CD2-CG 3.5Å; L79-M85 HydrophobicContact CD2-SD 3.64Å; L79-M85 HydrophobicContact CG-CG 3.86Å
86F97.4Very high94.3Very high0 Ų046.5 Ų46.50%026%0.262CS..EExtended strand (participates in β ladder)trans-122.4118.4169.6-177.3-153.9000110.2V40 K41 F52 E55 M56 L59 P73 V76 M88V40-F86 CarbonylContact C-O 3.6Å; V40-F86 WeakPolarHBondContact CA-O 3.48Å; K41-F86 HydrophobicContact CB-CB 4.31Å; K41-F86 HydrophobicContact CD-CD1 4.47Å; K41-F86 PolarHBondContact N-O 2.94Å; K41-F86 PolarHBondContact O-N 3.49Å; F52-F86 HydrophobicContact CB-CB 3.8Å; F52-F86 HydrophobicContact CB-CD1 4.48Å; F52-F86 HydrophobicContact CB-CG 4.19Å; F52-F86 HydrophobicContact CD1-CB 3.52Å; F52-F86 AromaticContact CD1-CD1 4Å; F52-F86 HydrophobicContact CD1-CD1 4Å; F52-F86 HydrophobicContact CD1-CG 4.16Å; F52-F86 HydrophobicContact CD2-CB 3.96Å; F52-F86 HydrophobicContact CE1-CB 4.03Å; F52-F86 HydrophobicContact CE2-CB 4.42Å; F52-F86 HydrophobicContact CG-CB 3.5Å; F52-F86 HydrophobicContact CG-CG 4.28Å; F52-F86 HydrophobicContact CZ-CB 4.45Å; E55-F86 HydrophobicContact CB-CD1 4.4Å; E55-F86 HydrophobicContact CB-CE1 4.05Å; E55-F86 HydrophobicContact CG-CD1 4.38Å; E55-F86 HydrophobicContact CG-CE1 3.87Å; E55-F86 WeakPolarHBondContact OE1-CE1 3.36Å; M56-F86 HydrophobicContact CB-CE2 3.74Å; M56-F86 HydrophobicContact CB-CZ 3.73Å; M56-F86 HydrophobicContact CG-CE2 4.12Å; M56-F86 HydrophobicContact CG-CZ 4.37Å; M56-F86 HydrophobicContact SD-CE2 4.2Å; L59-F86 HydrophobicContact CD1-CE1 3.72Å; L59-F86 HydrophobicContact CD1-CZ 3.66Å; P73-F86 HydrophobicContact CB-CE2 4.04Å; P73-F86 HydrophobicContact CB-CZ 3.85Å; V76-F86 HydrophobicContact CG2-CD2 3.85Å; V76-F86 HydrophobicContact CG2-CE2 4.4Å; V76-F86 HydrophobicContact CG2-CG 4.4Å; F86-M88 HydrophobicContact CD1-CE 3.24Å; F86-M88 HydrophobicContact CE1-CE 3.23Å; F86-M88 HydrophobicContact CG-CE 3.94Å; F86-M88 HydrophobicContact CZ-CE 3.91Å
87V97.8Very high94.1Very high0 Ų052 Ų520%029%0.291CS..EExtended strand (participates in β ladder)trans-100.8132.5179.1-166.90000109.5L5 L9 V38 F39 V40 I74 K75 I77L5-V87 HydrophobicContact CD2-CG2 3.82Å; L9-V87 HydrophobicContact CD1-CG1 4.14Å; L9-V87 HydrophobicContact CD2-CB 4.4Å; L9-V87 HydrophobicContact CD2-CG1 3.92Å; L9-V87 HydrophobicContact CD2-CG2 4.44Å; V38-V87 HydrophobicContact CB-CG1 3.88Å; V38-V87 HydrophobicContact CG1-CG1 4.27Å; V38-V87 HydrophobicContact CG2-CG1 4.13Å; F39-V87 WeakPolarHBondContact O-CA 3.36Å; V40-V87 HydrophobicContact CG1-CG2 4.4Å; V40-V87 HydrophobicContact CG2-CG1 4.14Å; V40-V87 HydrophobicContact CG2-CG2 4.15Å; I74-V87 WeakPolarHBondContact CA-O 3.31Å; I74-V87 HydrophobicContact CB-CB 4.36Å; I74-V87 HydrophobicContact CB-CG1 4.37Å; I74-V87 WeakPolarHBondContact CB-O 3.42Å; I74-V87 HydrophobicContact CD1-CG1 4.21Å; I74-V87 PolarHBondContact N-O 3.47Å; K75-V87 PolarHBondContact N-O 3.44Å; K75-V87 VanDerWaalsContact N-O 3.12Å; K75-V87 PolarHBondContact O-N 3.23Å; I77-V87 HydrophobicContact CD1-CG2 3.79Å
88M97.8Very high94Very high4 Ų458.8 Ų58.82%0.0232%0.32CS..EExtended strand (participates in β ladder)trans-144.4172.3176.765.6-169.776.600110.8V38 F39 K41 P71 Q72 F86 Y90V38-M88 CarbonylContact C-O 3.52Å; V38-M88 WeakPolarHBondContact CA-O 3.46Å; F39-M88 HydrophobicContact CB-CG 4.11Å; F39-M88 HydrophobicContact CD1-CG 4.24Å; F39-M88 HydrophobicContact CD1-SD 4.19Å; F39-M88 PolarHBondContact N-O 3.48Å; F39-M88 PolarHBondContact O-N 2.92Å; K41-M88 HydrophobicContact CD-CE 3.85Å; K41-M88 HydrophobicContact CG-CE 4.21Å; P71-M88 HydrophobicContact CB-CB 4.37Å; P71-M88 HydrophobicContact CB-CG 4.21Å; P71-M88 HydrophobicContact CB-SD 3.92Å; P71-M88 HydrophobicContact CG-SD 4.29Å; Q72-M88 CarbonylContact O-C 3.56Å; Q72-M88 VanDerWaalsContact O-CA 3.3Å; Q72-M88 WeakPolarHBondContact O-CA 3.48Å; Q72-M88 WeakPolarHBondContact O-CB 3.48Å; F86-M88 HydrophobicContact CD1-CE 3.24Å; F86-M88 HydrophobicContact CE1-CE 3.23Å; F86-M88 HydrophobicContact CG-CE 3.94Å; F86-M88 HydrophobicContact CZ-CE 3.91Å; M88-Y90 PolarHBondContact O-N 2.84Å
89E96.7Very high94.1Very high50 Ų5056.4 Ų56.423%0.23431%0.305CS..EExtended strand (participates in β ladder)trans-53135.3170.1178.7-177.4-153.900111.8R69 Q72 L91R69-E89 IonicContact CZ-OE1 3.68Å; R69-E89 IonicContact CZ-OE2 2.63Å; R69-E89 IonicContact NE-OE2 3.59Å; R69-E89 IonicContact NH2-OE1 2.72Å; R69-E89 PolarHBondContact NH2-OE1 2.95Å; R69-E89 IonicContact NH2-OE2 3.96Å; R69-E89 PolarHBondContact NH2-OE2 2.78Å; Q72-E89 HydrophobicContact CB-CB 3.97Å; Q72-E89 PolarHBondContact N-OE2 2.68Å; Q72-E89 VanDerWaalsContact N-OE2 3.15Å; Q72-E89 PolarHBondContact O-N 2.86Å; E89-L91 VanDerWaalsContact CD-CD2 3.43Å; E89-L91 HydrophobicContact CG-CD2 3.94Å; E89-L91 HydrophobicContact CG-CG 4.16Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.33Å
90Y96.3Very high94.4Very high74 Ų7456.1 Ų56.129%0.2930%0.304SS..  trans-83.2122.2167178.8-92.8000110.6F17 R37 F39 M88 K92F17-Y90 HydrophobicContact CE2-CD1 4.41Å; F17-Y90 HydrophobicContact CE2-CD2 4.27Å; F17-Y90 AromaticContact CE2-CE1 3.86Å; F17-Y90 HydrophobicContact CE2-CE1 3.86Å; F17-Y90 AromaticContact CE2-CE2 3.71Å; F17-Y90 HydrophobicContact CE2-CE2 3.71Å; F17-Y90 AromaticContact CE2-CZ 3.49Å; F17-Y90 VanDerWaalsContact CE2-CZ 3.49Å; F17-Y90 AromaticContact CZ-CD1 3.89Å; F17-Y90 HydrophobicContact CZ-CD1 3.89Å; F17-Y90 AromaticContact CZ-CD2 3.74Å; F17-Y90 HydrophobicContact CZ-CD2 3.74Å; F17-Y90 AromaticContact CZ-CE1 3.82Å; F17-Y90 HydrophobicContact CZ-CE1 3.82Å; F17-Y90 AromaticContact CZ-CE2 3.68Å; F17-Y90 HydrophobicContact CZ-CE2 3.68Å; F17-Y90 AromaticContact CZ-CG 3.85Å; F17-Y90 HydrophobicContact CZ-CG 3.85Å; F17-Y90 AromaticContact CZ-CZ 3.72Å; R37-Y90 HydrophobicContact CB-CD1 3.97Å; R37-Y90 HydrophobicContact CB-CG 4.06Å; R37-Y90 WeakPolarHBondContact O-CB 3.47Å; R37-Y90 PolarHBondContact O-N 2.92Å; F39-Y90 HydrophobicContact CB-CD2 4.27Å; F39-Y90 HydrophobicContact CD2-CD2 4.38Å; M88-Y90 PolarHBondContact O-N 2.84Å; Y90-K92 HydrophobicContact CE1-CB 4.45Å
91L94.7Very high94.9Very high22 Ų2253.8 Ų53.812%0.11529%0.29CS..  trans-111.1134.4173.4-64.5175.8000110.4P71 E89 M93 I231P71-L91 HydrophobicContact CB-CD1 4.25Å; P71-L91 HydrophobicContact CG-CD1 4.05Å; E89-L91 VanDerWaalsContact CD-CD2 3.43Å; E89-L91 HydrophobicContact CG-CD2 3.94Å; E89-L91 HydrophobicContact CG-CG 4.16Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.33Å; L91-M93 HydrophobicContact CB-CE 3.65Å; L91-M93 HydrophobicContact CB-CG 3.97Å; L91-M93 HydrophobicContact CD1-CE 3.87Å; L91-M93 HydrophobicContact CG-CE 4.28Å; L91-M93 PolarHBondContact O-N 2.86Å; L91-M93 VanDerWaalsContact O-N 3.08Å; L91-I231 HydrophobicContact CB-CD1 4.43Å; L91-I231 HydrophobicContact CD1-CD1 4.06Å; L91-I231 HydrophobicContact CD1-CG1 4.47Å; L91-I231 HydrophobicContact CD1-CG2 3.83Å
92K93.3Very high95.6Very high171 Ų17152.9 Ų52.974%0.74326%0.259SS*.  trans-81.787.1173.6-173.4-177.1176.3-174.20109.3Y90Y90-K92 HydrophobicContact CE1-CB 4.45Å
93M94.3Very high96Very high70 Ų7051.2 Ų51.235%0.34524%0.242SC..  trans-88.2148.8-174.8-64.8-177.9-165.700112.8P71 L91 A224 I231 F233P71-M93 HydrophobicContact CG-CE 4.07Å; L91-M93 HydrophobicContact CB-CE 3.65Å; L91-M93 HydrophobicContact CB-CG 3.97Å; L91-M93 HydrophobicContact CD1-CE 3.87Å; L91-M93 HydrophobicContact CG-CE 4.28Å; L91-M93 PolarHBondContact O-N 2.86Å; L91-M93 VanDerWaalsContact O-N 3.08Å; M93-A224 HydrophobicContact CB-CB 3.76Å; M93-A224 HydrophobicContact CG-CB 3.93Å; M93-A224 HydrophobicContact SD-CB 3.76Å; M93-I231 HydrophobicContact CE-CG2 3.86Å; M93-I231 HydrophobicContact CG-CD1 4.07Å; M93-F233 HydrophobicContact CE-CD1 4.02Å; M93-F233 HydrophobicContact CE-CG 4.44Å; M93-F233 HydrophobicContact SD-CD1 3.79Å; M93-F233 HydrophobicContact SD-CE1 3.75Å; M93-F233 HydrophobicContact SD-CZ 4.48Å
94K94.2Very high96.2Very high90 Ų9050.8 Ų50.839%0.39124%0.238SC..BIsolated β-bridgetrans-126.4163.8162.863.8-168.4174.3-1600109.2L96 A224 E225 D227K94-L96 PolarHBondContact O-N 2.94Å; K94-A224 WeakPolarHBondContact O-CA 3.49Å; K94-A224 WeakPolarHBondContact O-CB 3.35Å; K94-E225 HydrophobicContact CD-CG 4.32Å; K94-E225 WeakPolarHBondContact CE-OE1 3.42Å; K94-E225 HydrophobicContact CG-CG 3.66Å; K94-E225 WeakPolarHBondContact CG-O 3.33Å; K94-E225 PolarHBondContact N-O 2.78Å; K94-E225 PolarHBondContact O-N 3.26Å; K94-D227 IonicContact NZ-OD1 3.99Å; K94-D227 PolarHBondContact NZ-OD1 3.4Å
95H93.2Very high96.3Very high131 Ų13154.6 Ų54.661%0.60626%0.255SS*.  trans-57.9136.5178.3179.9-80.5000111.1N97H95-N97 PolarHBondContact O-N 2.87Å
96L94.8Very high96.4Very high7 Ų756.3 Ų56.34%0.03726%0.263CS..SBendtrans-59.1123177.5-179.272.6000110.9K94 L103 V223 E225 P230K94-L96 PolarHBondContact O-N 2.94Å; L96-L103 HydrophobicContact CD1-CD2 4.38Å; L96-L103 HydrophobicContact CD2-CB 4.49Å; L96-L103 HydrophobicContact CD2-CD2 3.37Å; L96-V223 HydrophobicContact CB-CG2 4.26Å; L96-V223 HydrophobicContact CD2-CB 4.37Å; L96-V223 HydrophobicContact CD2-CG2 3.99Å; L96-E225 HydrophobicContact CD1-CB 4.19Å; L96-P230 HydrophobicContact CD1-CB 3.81Å
97N92.4Very high96.5Very high127 Ų12756.3 Ų56.368%0.67926%0.263SS*.  trans-146.8-69.3176.5-175.2-8.1000110H95 Y99 S100 E225H95-N97 PolarHBondContact O-N 2.87Å; N97-Y99 PolarHBondContact O-N 3.02Å; N97-S100 PolarHBondContact O-N 3.5Å; N97-E225 VanDerWaalsContact N-CD 3.34Å; N97-E225 PolarHBondContact N-OE2 3.32Å
98K95.6Very high96.5Very high151 Ų15156.3 Ų56.366%0.65726%0.263SS*.THydrogen-bonded Turntrans-58.9-35.3-175.6-179.8-177.5174-164.70112E225K98-E225 PolarHBondContact N-OE1 3.28Å; K98-E225 PolarHBondContact N-OE2 3.2Å
99Y97.4Very high96.6Very high37 Ų3758.2 Ų58.215%0.14527%0.273CS..THydrogen-bonded Turntrans-102.520-172-60.8-67.4000114.3N97 S101 K102 L103 E225 D226 D227N97-Y99 PolarHBondContact O-N 3.02Å; Y99-S101 PolarHBondContact O-N 2.85Å; Y99-K102 HydrophobicContact CD1-CB 4.49Å; Y99-K102 HydrophobicContact CD1-CD 3.99Å; Y99-K102 PolarHBondContact O-N 2.85Å; Y99-L103 PolarHBondContact O-N 2.87Å; Y99-E225 HydrophobicContact CD2-CB 3.85Å; Y99-E225 HydrophobicContact CD2-CG 4.27Å; Y99-E225 WeakPolarHBondContact CD2-OE2 3.26Å; Y99-E225 PolarHBondContact N-OE2 2.96Å; Y99-D226 WeakPolarHBondContact CE2-O 3.35Å; Y99-D227 PolarHBondContact OH-O 2.93Å
100S97.3Very high96.7Very high8 Ų855.8 Ų55.86%0.05626%0.262CS..Hα-helixtrans-57.7-45.1-178.7-168.40000113.4N97 L103 G104 S256 F259N97-S100 PolarHBondContact O-N 3.5Å; S100-L103 PolarHBondContact O-N 2.8Å; S100-G104 PolarHBondContact O-N 2.72Å; S100-S256 WeakPolarHBondContact CB-OG 3.34Å; S100-S256 PolarHBondContact OG-OG 3.4Å; S100-F259 WeakPolarHBondContact O-CA 3.46Å
101S98.3Very high96.8Very high48 Ų4852.6 Ų52.634%0.33625%0.25SC..Hα-helixtrans-62.6-45.9174.4-169.90000112.2Y99 L103 G104 E105 S258 A262Y99-S101 PolarHBondContact O-N 2.85Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 2.85Å; S101-G104 WeakPolarHBondContact O-CA 3.33Å; S101-G104 PolarHBondContact O-N 2.84Å; S101-E105 PolarHBondContact O-N 3.19Å; S101-E105 VanDerWaalsContact O-N 3.08Å; S101-S258 PolarHBondContact N-OG 2.94Å; S101-A262 WeakPolarHBondContact O-CB 3.42Å; S101-A262 WeakPolarHBondContact OG-CB 3.31Å
102K98.6Very high97Very high77 Ų7753 Ų5334%0.33525%0.252SS..Hα-helixtrans-60.8-38.3178.9-177.5175.5177.3-176.20111.6Y99 G104 E105 Q106 S228 P230Y99-K102 HydrophobicContact CD1-CB 4.49Å; Y99-K102 HydrophobicContact CD1-CD 3.99Å; Y99-K102 PolarHBondContact O-N 2.85Å; K102-G104 VanDerWaalsContact C-N 3.34Å; K102-E105 PolarHBondContact O-N 3.12Å; K102-Q106 HydrophobicContact CG-CG 4.47Å; K102-Q106 WeakPolarHBondContact O-CB 3.46Å; K102-Q106 WeakPolarHBondContact O-CG 3.3Å; K102-Q106 PolarHBondContact O-N 2.87Å; K102-S228 PolarHBondContact NZ-O 2.84Å; K102-P230 HydrophobicContact CG-CG 4.35Å
103L98.6Very high97.2Very high0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-62.2-42.7174-178.661.3000110.9V68 L96 Y99 S100 S101 E105 Q106 I107 V223 P230 I232 F255 F259V68-L103 HydrophobicContact CG2-CD1 4.04Å; L96-L103 HydrophobicContact CD1-CD2 4.38Å; L96-L103 HydrophobicContact CD2-CB 4.49Å; L96-L103 HydrophobicContact CD2-CD2 3.37Å; Y99-L103 PolarHBondContact O-N 2.87Å; S100-L103 PolarHBondContact O-N 2.8Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 2.85Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-E105 PolarHBondContact O-N 3.3Å; L103-Q106 PolarHBondContact O-N 3.05Å; L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 3.77Å; L103-I107 HydrophobicContact CG-CG1 4.12Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 3.38Å; L103-V223 HydrophobicContact CD2-CB 4.2Å; L103-V223 HydrophobicContact CD2-CG1 4.01Å; L103-P230 HydrophobicContact CB-CB 3.74Å; L103-P230 HydrophobicContact CB-CG 3.92Å; L103-P230 HydrophobicContact CD1-CB 3.96Å; L103-P230 HydrophobicContact CD1-CG 4.17Å; L103-P230 HydrophobicContact CG-CB 4.27Å; L103-I232 HydrophobicContact CD1-CG2 3.65Å; L103-F255 HydrophobicContact CD2-CE1 3.9Å; L103-F259 HydrophobicContact CB-CD2 4.17Å; L103-F259 HydrophobicContact CB-CE2 4.44Å; L103-F259 HydrophobicContact CD2-CD2 4.25Å; L103-F259 HydrophobicContact CD2-CE2 4.19Å; L103-F259 HydrophobicContact CG-CD2 4.04Å; L103-F259 HydrophobicContact CG-CE2 3.87Å
104G98.6Very high97.4Very high0 Ų044.1 Ų44.10%021%0.21CC..Hα-helixtrans-59-44.8176.800000112.7S100 S101 K102 A108 F259 Y263S100-G104 PolarHBondContact O-N 2.72Å; S101-G104 WeakPolarHBondContact O-CA 3.33Å; S101-G104 PolarHBondContact O-N 2.84Å; K102-G104 VanDerWaalsContact C-N 3.34Å; G104-A108 WeakPolarHBondContact O-CB 3.38Å; G104-A108 PolarHBondContact O-N 2.99Å; G104-A108 VanDerWaalsContact O-N 3.11Å; G104-F259 WeakPolarHBondContact CA-O 3.33Å; G104-F259 VanDerWaalsContact N-CD2 3.28Å; G104-Y263 WeakPolarHBondContact O-CA 3.24Å
105E98.8Very high97.5Very high79 Ų7943 Ų4337%0.36921%0.207SC..Hα-helixtrans-60.6-42.6173.6-83.9161.4-135.400113.2S101 K102 L103 D109 A262 K266S101-E105 PolarHBondContact O-N 3.19Å; S101-E105 VanDerWaalsContact O-N 3.08Å; K102-E105 PolarHBondContact O-N 3.12Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-E105 PolarHBondContact O-N 3.3Å; E105-D109 PolarHBondContact O-N 3.24Å; E105-A262 HydrophobicContact CG-CB 4.15Å; E105-K266 PolarHBondContact O-NZ 2.82Å
106Q98.8Very high97.6Very high37 Ų3741.7 Ų41.717%0.17320%0.199CC..Hα-helixtrans-74.4-36.9-177-74.4-174.9-30.700112.7T67 V68 K102 L103 A108 D109 L110T67-Q106 VanDerWaalsContact O-CG 3.3Å; T67-Q106 WeakPolarHBondContact O-CG 3.32Å; T67-Q106 PolarHBondContact O-NE2 2.66Å; V68-Q106 HydrophobicContact CB-CB 4.08Å; V68-Q106 HydrophobicContact CG2-CB 4.3Å; K102-Q106 HydrophobicContact CG-CG 4.47Å; K102-Q106 WeakPolarHBondContact O-CB 3.46Å; K102-Q106 WeakPolarHBondContact O-CG 3.3Å; K102-Q106 PolarHBondContact O-N 2.87Å; L103-Q106 PolarHBondContact O-N 3.05Å; Q106-A108 VanDerWaalsContact C-N 3.34Å; Q106-D109 PolarHBondContact O-N 3.02Å; Q106-L110 PolarHBondContact O-N 2.99Å
107I98.8Very high97.6Very high0 Ų042.2 Ų42.20%020%0.202CC..Hα-helixtrans-66.7-38.1173.3-64-61.7000110.6L103 D109 L110 H111 L218 I232 F259 Y263L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 3.77Å; L103-I107 HydrophobicContact CG-CG1 4.12Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 3.38Å; I107-D109 VanDerWaalsContact C-N 3.35Å; I107-L110 WeakPolarHBondContact O-CB 3.37Å; I107-L110 PolarHBondContact O-N 3.43Å; I107-H111 PolarHBondContact O-N 2.95Å; I107-L218 HydrophobicContact CD1-CD1 4.34Å; I107-L218 HydrophobicContact CD1-CD2 3.86Å; I107-L218 HydrophobicContact CG1-CD2 3.93Å; I107-L218 HydrophobicContact CG2-CD2 4.12Å; I107-I232 HydrophobicContact CD1-CD1 3.93Å; I107-I232 HydrophobicContact CD1-CG2 4.31Å; I107-F259 HydrophobicContact CB-CE2 4.45Å; I107-F259 HydrophobicContact CG1-CE2 4.14Å; I107-Y263 HydrophobicContact CB-CD2 4.34Å; I107-Y263 HydrophobicContact CG2-CD2 4.09Å; I107-Y263 HydrophobicContact CG2-CE2 3.93Å
108A98.8Very high97.6Very high0 Ų036.3 Ų36.30%017%0.171CC..Hα-helixtrans-63.9-39.6171.500000112.3G104 Q106 H111 L112 Y263 K266 I267G104-A108 WeakPolarHBondContact O-CB 3.38Å; G104-A108 PolarHBondContact O-N 2.99Å; G104-A108 VanDerWaalsContact O-N 3.11Å; Q106-A108 VanDerWaalsContact C-N 3.34Å; A108-H111 PolarHBondContact O-N 2.88Å; A108-L112 WeakPolarHBondContact O-CB 3.4Å; A108-L112 WeakPolarHBondContact O-CG 3.46Å; A108-L112 PolarHBondContact O-N 3.33Å; A108-Y263 HydrophobicContact CB-CD2 3.67Å; A108-Y263 HydrophobicContact CB-CE2 3.95Å; A108-Y263 HydrophobicContact CB-CG 4.21Å; A108-K266 HydrophobicContact CB-CB 3.79Å; A108-K266 HydrophobicContact CB-CD 3.9Å; A108-K266 HydrophobicContact CB-CG 4.41Å; A108-I267 HydrophobicContact CB-CD1 4.04Å; A108-I267 HydrophobicContact CB-CG1 4.2Å
109D98.8Very high97.5Very high43 Ų4332.2 Ų32.223%0.2315%0.154CC..Hα-helixtrans-64.4-40174.7-73.9-29.2000112.5T67 E105 Q106 I107 H111 L112 Y113 K116 K266T67-D109 HydrophobicContact CG2-CB 4.07Å; E105-D109 PolarHBondContact O-N 3.24Å; Q106-D109 PolarHBondContact O-N 3.02Å; I107-D109 VanDerWaalsContact C-N 3.35Å; D109-H111 VanDerWaalsContact C-N 3.34Å; D109-L112 PolarHBondContact O-N 3.19Å; D109-Y113 PolarHBondContact O-N 3.34Å; D109-K116 IonicContact OD1-NZ 2.74Å; D109-K266 IonicContact OD1-NZ 2.8Å; D109-K266 PolarHBondContact OD1-NZ 3.1Å; D109-K266 IonicContact OD2-NZ 3.38Å; D109-K266 PolarHBondContact OD2-NZ 3.28Å
110L98.8Very high97.2Very high0 Ų035.9 Ų35.90%017%0.171CC..Hα-helixtrans-57.4-48173.3177.764.3000110.6I62 T65 T67 V68 Q106 I107 L112 Y113 L213I62-L110 HydrophobicContact CG2-CD1 4.26Å; I62-L110 HydrophobicContact CG2-CD2 4.43Å; T65-L110 HydrophobicContact CG2-CD1 3.86Å; T65-L110 WeakPolarHBondContact OG1-CD1 3.24Å; T67-L110 WeakPolarHBondContact OG1-CB 3.49Å; T67-L110 WeakPolarHBondContact OG1-CD1 3.45Å; V68-L110 HydrophobicContact CG1-CD2 4.31Å; Q106-L110 PolarHBondContact O-N 2.99Å; I107-L110 WeakPolarHBondContact O-CB 3.37Å; I107-L110 PolarHBondContact O-N 3.43Å; L110-L112 VanDerWaalsContact C-N 3.35Å; L110-L112 PolarHBondContact O-N 3.39Å; L110-Y113 WeakPolarHBondContact O-CB 3.45Å; L110-Y113 PolarHBondContact O-N 2.88Å; L110-L213 HydrophobicContact CD1-CB 4.49Å; L110-L213 HydrophobicContact CD1-CD2 4.02Å; L110-L213 HydrophobicContact CD1-CG 4.32Å
111H98.8Very high96.8Very high7 Ų738.6 Ų38.63%0.03219%0.185CC..Hα-helixtrans-67.9-34-179.5-67.6174.8000113.1I107 A108 D109 Y113 A212 L213 E245 Y263 I267I107-H111 PolarHBondContact O-N 2.95Å; A108-H111 PolarHBondContact O-N 2.88Å; D109-H111 VanDerWaalsContact C-N 3.34Å; H111-Y113 VanDerWaalsContact C-N 3.31Å; H111-A212 HydrophobicContact CB-CB 3.99Å; H111-A212 WeakPolarHBondContact O-CB 3.42Å; H111-L213 PolarHBondContact CD2-O 3.24Å; H111-E245 IonicContact CE1-OE2 3.68Å; H111-E245 IonicContact NE2-OE2 2.72Å; H111-E245 PolarHBondContact NE2-OE2 2.95Å; H111-Y263 AromaticContact CE1-CE2 3.93Å; H111-Y263 AromaticContact ND1-CE2 3.43Å; H111-Y263 WeakPolarHBondContact ND1-CE2 3.28Å; H111-Y263 AromaticContact ND1-CZ 3.58Å; H111-Y263 PolarHBondContact ND1-OH 3.41Å; H111-I267 HydrophobicContact CB-CD1 3.84Å
112L98.6Very high96.3Very high30 Ų3042.6 Ų42.616%0.15719%0.192CC..Hα-helixtrans-79.2-11.9176.3-71.1169.1000113.4A108 D109 L110 N114 Q115 K116 K266 I267A108-L112 WeakPolarHBondContact O-CB 3.4Å; A108-L112 WeakPolarHBondContact O-CG 3.46Å; A108-L112 PolarHBondContact O-N 3.33Å; D109-L112 PolarHBondContact O-N 3.19Å; L110-L112 VanDerWaalsContact C-N 3.35Å; L110-L112 PolarHBondContact O-N 3.39Å; L112-N114 PolarHBondContact O-N 3Å; L112-Q115 PolarHBondContact O-N 2.84Å; L112-K116 HydrophobicContact CB-CD 4.28Å; L112-K116 WeakPolarHBondContact O-CB 3.48Å; L112-K116 VanDerWaalsContact O-CG 3.32Å; L112-K116 WeakPolarHBondContact O-CG 3.34Å; L112-K116 PolarHBondContact O-N 3.1Å; L112-K266 HydrophobicContact CD1-CB 4.29Å; L112-I267 HydrophobicContact CD1-CD1 4.37Å; L112-I267 HydrophobicContact CD1-CG1 3.96Å; L112-I267 HydrophobicContact CD2-CD1 4.32Å; L112-I267 HydrophobicContact CD2-CG1 4.14Å; L112-I267 HydrophobicContact CG-CD1 3.91Å; L112-I267 HydrophobicContact CG-CG1 3.93Å
113Y98Very high95.8Very high53 Ų5345.7 Ų45.721%0.20821%0.206CC..Hα-helixtrans-55.1-52.1-174.1177.1-95.4000112.3T65 D109 L110 H111 K116 L117 F137T65-Y113 HydrophobicContact CG2-CD1 3.71Å; T65-Y113 HydrophobicContact CG2-CD2 4.16Å; T65-Y113 HydrophobicContact CG2-CE1 3.93Å; T65-Y113 HydrophobicContact CG2-CE2 4.35Å; T65-Y113 HydrophobicContact CG2-CG 3.84Å; D109-Y113 PolarHBondContact O-N 3.34Å; L110-Y113 WeakPolarHBondContact O-CB 3.45Å; L110-Y113 PolarHBondContact O-N 2.88Å; H111-Y113 VanDerWaalsContact C-N 3.31Å; Y113-K116 PolarHBondContact O-N 2.84Å; Y113-L117 PolarHBondContact O-N 3.23Å; Y113-F137 WeakPolarHBondContact OH-CD1 3.35Å
114N97.4Very high95.1Very high1 Ų150.6 Ų50.61%0.00523%0.228CC..Hα-helixtrans-68.3-38.3-177.3-172.751.8000112L112 L117 G118 Y139 V140 P211 Y239L112-N114 PolarHBondContact O-N 3Å; N114-L117 WeakPolarHBondContact O-CB 3.26Å; N114-L117 PolarHBondContact O-N 2.94Å; N114-G118 PolarHBondContact O-N 2.89Å; N114-Y139 WeakPolarHBondContact O-CD2 3.26Å; N114-Y139 WeakPolarHBondContact OD1-CD2 3.35Å; N114-V140 PolarHBondContact ND2-O 2.94Å; N114-V140 PolarHBondContact OD1-N 2.8Å; N114-P211 WeakPolarHBondContact CB-O 3.37Å; N114-P211 PolarHBondContact ND2-O 2.85Å; N114-Y239 HydrophobicContact CB-CE1 4.17Å
115Q96.8Very high94.2Very high68 Ų6854.4 Ų54.432%0.31826%0.26SS..Hα-helixtrans-59.9-48.6173.8-177-177.7-20.500111.5L112 L117 G118 E119 V210L112-Q115 PolarHBondContact O-N 2.84Å; Q115-L117 VanDerWaalsContact C-N 3.26Å; Q115-L117 PolarHBondContact O-N 3.36Å; Q115-G118 PolarHBondContact O-N 3.08Å; Q115-G118 VanDerWaalsContact O-N 3.14Å; Q115-E119 PolarHBondContact NE2-OE1 2.77Å; Q115-E119 WeakPolarHBondContact O-CG 3.46Å; Q115-E119 PolarHBondContact O-N 2.71Å; Q115-V210 HydrophobicContact CB-CG1 3.99Å; Q115-V210 HydrophobicContact CG-CG1 4.38Å
116K96.1Very high92.9Very high103 Ų10358.3 Ų58.345%0.44828%0.278SS..Hα-helixtrans-59.2-38177.5-73.8169.3176.5170.60111.7D109 L112 Y113 E119 K120D109-K116 IonicContact OD1-NZ 2.74Å; L112-K116 HydrophobicContact CB-CD 4.28Å; L112-K116 WeakPolarHBondContact O-CB 3.48Å; L112-K116 VanDerWaalsContact O-CG 3.32Å; L112-K116 WeakPolarHBondContact O-CG 3.34Å; L112-K116 PolarHBondContact O-N 3.1Å; Y113-K116 PolarHBondContact O-N 2.84Å; K116-E119 PolarHBondContact O-N 3.1Å; K116-K120 WeakPolarHBondContact O-CB 3.47Å; K116-K120 PolarHBondContact O-N 2.77Å
117L94.3Very high91.6Very high18 Ų1861 Ų619%0.09430%0.297CS..Hα-helixtrans-63.9-46.5174.8-17559.1000111.4Y113 N114 Q115 E119 K120 L121 F137Y113-L117 PolarHBondContact O-N 3.23Å; N114-L117 WeakPolarHBondContact O-CB 3.26Å; N114-L117 PolarHBondContact O-N 2.94Å; Q115-L117 VanDerWaalsContact C-N 3.26Å; Q115-L117 PolarHBondContact O-N 3.36Å; L117-E119 PolarHBondContact O-N 3Å; L117-K120 PolarHBondContact O-N 3.32Å; L117-L121 HydrophobicContact CG-CD1 4.42Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.14Å; L117-F137 HydrophobicContact CD2-CB 4.1Å
118G93.1Very high89.3Confident3 Ų369.3 Ų69.33%0.03134%0.34CS..Hα-helixtrans-61.1-41.8175.700000113.1N114 Q115 L121 R122 Y139N114-G118 PolarHBondContact O-N 2.89Å; Q115-G118 PolarHBondContact O-N 3.08Å; Q115-G118 VanDerWaalsContact O-N 3.14Å; G118-L121 PolarHBondContact O-N 2.93Å; G118-R122 WeakPolarHBondContact O-CG 3.28Å; G118-R122 PolarHBondContact O-N 2.82Å; G118-Y139 VanDerWaalsContact CA-CD2 3.47Å
119E93.4Very high87.2Confident65 Ų6572.9 Ų72.930%0.30438%0.376SS..Hα-helixtrans-62.6-41.7174.8-71.8172.1-170.500112.5Q115 K116 L117 R122 K123Q115-E119 PolarHBondContact NE2-OE1 2.77Å; Q115-E119 WeakPolarHBondContact O-CG 3.46Å; Q115-E119 PolarHBondContact O-N 2.71Å; K116-E119 PolarHBondContact O-N 3.1Å; L117-E119 PolarHBondContact O-N 3Å; E119-R122 VanDerWaalsContact CG-NH2 3.28Å; E119-R122 PolarHBondContact O-N 2.77Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 2.86Å; E119-K123 VanDerWaalsContact O-N 3.08Å
120K91.1Very high84.9Confident114 Ų11480.2 Ų80.250%0.49641%0.406SS..Hα-helixtrans-62.8-47.7176.2-179.4178.7171-176.60111.3K116 L117 R122 K123 E124K116-K120 WeakPolarHBondContact O-CB 3.47Å; K116-K120 PolarHBondContact O-N 2.77Å; L117-K120 PolarHBondContact O-N 3.32Å; K120-R122 VanDerWaalsContact C-N 3.34Å; K120-R122 PolarHBondContact O-N 3.42Å; K120-K123 PolarHBondContact O-N 2.92Å; K120-E124 WeakPolarHBondContact CE-OE1 3.41Å; K120-E124 IonicContact NZ-OE1 2.73Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 2.99Å
121L88.4Confident82.6Confident65 Ų6583.7 Ų83.734%0.3444%0.442SS..Hα-helixtrans-60.7-41.1178.2-70.1173000112.2L117 G118 E124 A125 Y139L117-L121 HydrophobicContact CG-CD1 4.42Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.14Å; G118-L121 PolarHBondContact O-N 2.93Å; L121-E124 PolarHBondContact O-N 2.91Å; L121-A125 WeakPolarHBondContact O-CB 3.13Å; L121-A125 PolarHBondContact O-N 2.7Å; L121-Y139 VanDerWaalsContact CD1-CB 3.48Å; L121-Y139 HydrophobicContact CD1-CG 4.35Å
122R88.3Confident80.2Confident131 Ų13187.9 Ų87.949%0.49448%0.478SS..Hα-helixtrans-62.2-42.2174.8-73.4-173.3-65.7-1045.8112.2G118 E119 K120 A125 H126G118-R122 WeakPolarHBondContact O-CG 3.28Å; G118-R122 PolarHBondContact O-N 2.82Å; E119-R122 VanDerWaalsContact CG-NH2 3.28Å; E119-R122 PolarHBondContact O-N 2.77Å; K120-R122 VanDerWaalsContact C-N 3.34Å; K120-R122 PolarHBondContact O-N 3.42Å; R122-A125 PolarHBondContact O-N 2.97Å; R122-H126 PolarHBondContact O-CD2 2.67Å; R122-H126 PolarHBondContact O-N 3.41Å
123K86.6Confident77.8Confident143 Ų14389.7 Ų89.762%0.62250%0.504SS*.Hα-helixtrans-64.9-41.8176.7-72.5173.1-178.1175.10112.2E119 K120 H126 T127E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 2.86Å; E119-K123 VanDerWaalsContact O-N 3.08Å; K120-K123 PolarHBondContact O-N 2.92Å; K123-H126 PolarHBondContact O-N 3.1Å; K123-T127 PolarHBondContact O-N 2.91Å; K123-T127 PolarHBondContact O-OG1 3.4Å; K123-T127 VanDerWaalsContact O-OG1 3.11Å
124E84.4Confident75.2Confident102 Ų10295.9 Ų95.948%0.47754%0.535SS..Hα-helixtrans-66.6-40.7177.5-72.6174.3175.900111.7K120 L121 H126 T127K120-E124 WeakPolarHBondContact CE-OE1 3.41Å; K120-E124 IonicContact NZ-OE1 2.73Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 2.99Å; L121-E124 PolarHBondContact O-N 2.91Å; E124-H126 PolarHBondContact O-N 2.95Å; E124-T127 PolarHBondContact O-N 2.88Å
125A79.6Confident73Confident81 Ų8198.7 Ų98.767%0.66955%0.554SS**Hα-helixtrans-61.6-26.4175.600000113.5L121 R122L121-A125 WeakPolarHBondContact O-CB 3.13Å; L121-A125 PolarHBondContact O-N 2.7Å; R122-A125 PolarHBondContact O-N 2.97Å
126H72.7Confident71Confident160 Ų160104 Ų10474%0.74158%0.579SS**THydrogen-bonded Turntrans-86.4-3.3175.3-64.9-24.8000113.9R122 K123 E124R122-H126 PolarHBondContact O-CD2 2.67Å; R122-H126 PolarHBondContact O-N 3.41Å; K123-H126 PolarHBondContact O-N 3.1Å; E124-H126 PolarHBondContact O-N 2.95Å
127T71.7Confident69.4Low93 Ų93102.5 Ų102.557%0.57157%0.573SS**SBendtrans-10295.4177.3-51.10000109.7K123 E124 G129K123-T127 PolarHBondContact O-N 2.91Å; K123-T127 PolarHBondContact O-OG1 3.4Å; K123-T127 VanDerWaalsContact O-OG1 3.11Å; E124-T127 PolarHBondContact O-N 2.88Å; T127-G129 PolarHBondContact O-N 2.98Å; T127-G129 VanDerWaalsContact O-N 3.07Å
128I49.8Very low68.9Low176 Ų176110 Ų11090%0.90361%0.607SS**THydrogen-bonded Turntrans-63.7109176.4-58.2171.7000108.6
129G55.5Low68.9Low74 Ų74113.1 Ų113.176%0.76362%0.619SS**THydrogen-bonded Turntrans137.84.316500000119T127T127-G129 PolarHBondContact O-N 2.98Å; T127-G129 VanDerWaalsContact O-N 3.07Å
130K49.7Very low69.1Low197 Ų197111.2 Ų111.286%0.85761%0.611SS**  trans-117.2116.9169.6-77.8-174.6175.9179.70110.6
131G49.8Very low69.3Low74 Ų74110.8 Ų110.876%0.76361%0.614SS**  trans-52.7150.1-179.500000112.1G133G131-G133 PolarHBondContact O-N 3.44Å
132A49.4Very low69.8Low95 Ų95112 Ų11279%0.78562%0.617SS**  trans-59.882.3178.700000110.8H134A132-H134 PolarHBondContact O-N 3.15Å; A132-H134 VanDerWaalsContact O-N 3.17Å
133G48.1Very low70.3Confident68 Ų68106 Ų10670%0.70160%0.595SS**  trans-60117.3160.700000106.3G131 S135G131-G133 PolarHBondContact O-N 3.44Å; G133-S135 VanDerWaalsContact C-N 3.3Å; G133-S135 PolarHBondContact O-N 3.06Å
134H43.6Very low70.8Confident183 Ų18399.2 Ų99.285%0.84757%0.565SS**  trans-56.198.7172.1-67.7-11.5000107.8A132 E136A132-H134 PolarHBondContact O-N 3.15Å; A132-H134 VanDerWaalsContact O-N 3.17Å; H134-E136 PolarHBondContact O-N 3.32Å
135S50.7Low71.5Confident60 Ų6094.7 Ų94.742%0.4254%0.544SS..  trans-63.2122.5166.4-174.70000106G133 F137G133-S135 VanDerWaalsContact C-N 3.3Å; G133-S135 PolarHBondContact O-N 3.06Å; S135-F137 PolarHBondContact O-N 3.35Å; S135-F137 PolarHBondContact OG-N 3.11Å; S135-F137 PolarHBondContact OG-O 3.31Å
136E55.4Low72.3Confident178 Ų17896.6 Ų96.683%0.83254%0.538SS*.SBendtrans-58.6-10.1172.7-159175.6-176.900111.9H134H134-E136 PolarHBondContact O-N 3.32Å
137F62.8Low73.4Confident73 Ų7391.2 Ų91.232%0.3252%0.517SS..SBendtrans-116118.9-176.7-54.5-75.3000111.4K64 Y113 L117 S135K64-F137 HydrophobicContact CB-CE1 4.16Å; Y113-F137 WeakPolarHBondContact OH-CD1 3.35Å; L117-F137 HydrophobicContact CD2-CB 4.1Å; S135-F137 PolarHBondContact O-N 3.35Å; S135-F137 PolarHBondContact OG-N 3.11Å; S135-F137 PolarHBondContact OG-O 3.31Å
138Q83.3Confident74.5Confident176 Ų17687.9 Ų87.982%0.82250%0.499SS*.  trans-96121.8-179.8-167.4172.65.200110.2
139Y93.4Very high76.8Confident68 Ų6879.5 Ų79.527%0.26746%0.456SS..  trans-57.1136.2167.2168.3-106.5000110.2N114 G118 L121 D141N114-Y139 WeakPolarHBondContact O-CD2 3.26Å; N114-Y139 WeakPolarHBondContact OD1-CD2 3.35Å; G118-Y139 VanDerWaalsContact CA-CD2 3.47Å; L121-Y139 VanDerWaalsContact CD1-CB 3.48Å; L121-Y139 HydrophobicContact CD1-CG 4.35Å; Y139-D141 HydrophobicContact CD1-CB 4.31Å; Y139-D141 HydrophobicContact CE1-CB 3.64Å
140V96.3Very high78.7Confident24 Ų2476.8 Ų76.815%0.14543%0.425CS..  trans-107.8115.8-179.9-179.30000109.4N114 K142 W160 Y239N114-V140 PolarHBondContact ND2-O 2.94Å; N114-V140 PolarHBondContact OD1-N 2.8Å; V140-K142 VanDerWaalsContact CG1-O 3.29Å; V140-K142 WeakPolarHBondContact CG1-O 3.37Å; V140-W160 HydrophobicContact CG1-CE3 4.45Å; V140-W160 HydrophobicContact CG1-CH2 3.78Å; V140-W160 HydrophobicContact CG1-CZ3 3.5Å; V140-W160 VanDerWaalsContact CG1-CZ3 3.5Å; V140-Y239 HydrophobicContact CB-CD1 3.93Å; V140-Y239 HydrophobicContact CB-CD2 4.46Å; V140-Y239 HydrophobicContact CB-CE1 3.82Å; V140-Y239 HydrophobicContact CB-CE2 4.37Å; V140-Y239 HydrophobicContact CB-CG 4.25Å; V140-Y239 HydrophobicContact CG1-CD1 3.99Å; V140-Y239 HydrophobicContact CG1-CD2 4Å; V140-Y239 HydrophobicContact CG1-CE1 4.3Å; V140-Y239 HydrophobicContact CG1-CE2 4.32Å; V140-Y239 HydrophobicContact CG1-CG 3.82Å; V140-Y239 HydrophobicContact CG2-CD1 4.37Å; V140-Y239 HydrophobicContact CG2-CD2 4.37Å; V140-Y239 HydrophobicContact CG2-CE1 3.84Å; V140-Y239 HydrophobicContact CG2-CE2 3.86Å
141D96.3Very high80.7Confident105 Ų10567.4 Ų67.456%0.56138%0.384SS*.  trans-97.51.9-177.168.9-20.7000113.8Y139Y139-D141 HydrophobicContact CD1-CB 4.31Å; Y139-D141 HydrophobicContact CE1-CB 3.64Å
142K97.8Very high82.5Confident90 Ų9064.9 Ų64.939%0.39136%0.359SS..SBendtrans-127.6159.3-177.1-70.6177.6-172.1-179.70112.1V140 W160 Q161 P211V140-K142 VanDerWaalsContact CG1-O 3.29Å; V140-K142 WeakPolarHBondContact CG1-O 3.37Å; K142-W160 HydrophobicContact CB-CB 4.36Å; K142-W160 HydrophobicContact CB-CE3 3.82Å; K142-W160 HydrophobicContact CD-CB 4.12Å; K142-W160 WeakPolarHBondContact O-CZ3 3.45Å; K142-Q161 CarbonylContact C-O 3.46Å; K142-Q161 WeakPolarHBondContact CA-O 3.37Å; K142-Q161 WeakPolarHBondContact CB-O 3.38Å; K142-P211 WeakPolarHBondContact O-CB 3.49Å
143F98.6Very high84.3Confident7 Ų765 Ų653%0.03134%0.339CS..BIsolated β-bridgetrans-89.2140.8172.2-51.6-73.7000110.3W160 Q161 W164 F167 I209 P211 Y239F143-W160 CarbonylContact O-C 3.46Å; F143-W160 VanDerWaalsContact O-CA 3.28Å; F143-W160 WeakPolarHBondContact O-CA 3.29Å; F143-Q161 WeakPolarHBondContact CD2-O 3.28Å; F143-Q161 PolarHBondContact N-O 3.36Å; F143-Q161 PolarHBondContact O-N 3.04Å; F143-W164 HydrophobicContact CB-CE3 4.25Å; F143-W164 HydrophobicContact CD1-CB 4.32Å; F143-W164 HydrophobicContact CD1-CD2 4.45Å; F143-W164 AromaticContact CD1-CE3 3.62Å; F143-W164 HydrophobicContact CD1-CE3 3.62Å; F143-W164 HydrophobicContact CD1-CZ3 4.33Å; F143-W164 HydrophobicContact CD2-CB 3.93Å; F143-W164 HydrophobicContact CE1-CB 3.94Å; F143-W164 HydrophobicContact CE1-CE3 4.1Å; F143-W164 HydrophobicContact CE2-CB 3.56Å; F143-W164 VanDerWaalsContact CE2-N 3.26Å; F143-W164 HydrophobicContact CG-CB 4.31Å; F143-W164 AromaticContact CG-CE3 3.87Å; F143-W164 HydrophobicContact CG-CE3 3.87Å; F143-W164 HydrophobicContact CZ-CB 3.56Å; F143-F167 HydrophobicContact CB-CB 4.17Å; F143-F167 HydrophobicContact CB-CD1 4.17Å; F143-F167 HydrophobicContact CB-CD2 4Å; F143-F167 HydrophobicContact CB-CE2 4.45Å; F143-F167 HydrophobicContact CB-CG 3.84Å; F143-I209 HydrophobicContact CE1-CG2 3.77Å; F143-I209 HydrophobicContact CZ-CB 4.28Å; F143-I209 HydrophobicContact CZ-CG2 3.83Å; F143-I209 WeakPolarHBondContact CZ-O 3.49Å; F143-P211 HydrophobicContact CD1-CB 3.91Å; F143-P211 HydrophobicContact CD1-CG 3.93Å; F143-P211 HydrophobicContact CE1-CB 3.86Å; F143-P211 HydrophobicContact CE1-CG 3.6Å; F143-P211 HydrophobicContact CZ-CG 3.91Å; F143-Y239 VanDerWaalsContact CA-O 3.28Å; F143-Y239 WeakPolarHBondContact CA-O 3.31Å
144G98.4Very high86.4Confident0 Ų062.5 Ų62.50%031%0.31CS..BIsolated β-bridgetrans133-164.8-17500000112.6N158 W160 Y239G144-N158 CarbonylContact C-O 3.48Å; G144-N158 VanDerWaalsContact CA-O 3.29Å; G144-N158 WeakPolarHBondContact CA-O 3.22Å; G144-W160 VanDerWaalsContact C-CZ3 3.46Å; G144-W160 WeakPolarHBondContact O-CZ3 3.14Å; G144-Y239 PolarHBondContact N-O 3.19Å; G144-Y239 PolarHBondContact O-N 3.11Å
145F98.4Very high88.8Confident6 Ų656.7 Ų56.73%0.02629%0.288CS..  trans-152.5151.7177.1-153.4-122.7000110A57 A61 T147 T149 N158 L213 F238 Y239A57-F145 HydrophobicContact CB-CE1 4.12Å; A61-F145 HydrophobicContact CB-CE2 4.15Å; A61-F145 HydrophobicContact CB-CZ 3.88Å; F145-T147 HydrophobicContact CD1-CG2 3.89Å; F145-T147 HydrophobicContact CE1-CG2 3.99Å; F145-T147 PolarHBondContact O-N 3.23Å; F145-T149 HydrophobicContact CD1-CG2 3.62Å; F145-T149 HydrophobicContact CE1-CG2 3.86Å; F145-N158 HydrophobicContact CB-CB 3.93Å; F145-N158 PolarHBondContact N-O 2.91Å; F145-L213 HydrophobicContact CE2-CD1 3.97Å; F145-F238 HydrophobicContact CB-CB 4.08Å; F145-Y239 HydrophobicContact CD2-CD2 4.06Å; F145-Y239 HydrophobicContact CD2-CE2 4.22Å; F145-Y239 HydrophobicContact CE2-CD2 4.49Å; F145-Y239 HydrophobicContact CE2-CE2 4.24Å
146H96.6Very high91Very high121 Ų12154.4 Ų54.456%0.5627%0.271SS*.SBendtrans-68.7-15.8-175.865.8-79000113.6W160H146-W160 HydrophobicContact CB-CZ2 4.24Å
147T95.6Very high92.9Very high47 Ų4748.1 Ų48.129%0.28825%0.245SC..SBendtrans-136.6162.1174.2-169.20000110.7A57 F145 T149 N158A57-T147 HydrophobicContact CB-CG2 3.49Å; A57-T147 VanDerWaalsContact CB-CG2 3.49Å; F145-T147 HydrophobicContact CD1-CG2 3.89Å; F145-T147 HydrophobicContact CE1-CG2 3.99Å; F145-T147 PolarHBondContact O-N 3.23Å; T147-T149 PolarHBondContact O-N 2.74Å; T147-N158 PolarHBondContact O-ND2 3.44Å
148A95.9Very high94.5Very high23 Ų2345 Ų4519%0.1923%0.231CC..  trans-70.1128.3171.800000109.8G54G54-A148 VanDerWaalsContact CA-O 3.31Å; G54-A148 WeakPolarHBondContact CA-O 3.37Å
149T97.4Very high95.2Very high0 Ų042 Ų420%022%0.217CC..  trans-107.3165.8169.7570000109.3S58 F145 T147 Q156 N158 S237S58-T149 WeakPolarHBondContact OG-CG2 3.33Å; F145-T149 HydrophobicContact CD1-CG2 3.62Å; F145-T149 HydrophobicContact CE1-CG2 3.86Å; T147-T149 PolarHBondContact O-N 2.74Å; T149-Q156 WeakPolarHBondContact O-CB 3.47Å; T149-Q156 PolarHBondContact O-N 3.42Å; T149-Q156 PolarHBondContact OG1-NE2 3.24Å; T149-N158 PolarHBondContact N-ND2 2.96Å; T149-N158 VanDerWaalsContact N-ND2 3.15Å; T149-N158 PolarHBondContact OG1-ND2 3.26Å; T149-S237 WeakPolarHBondContact CG2-O 3.14Å; T149-S237 PolarHBondContact OG1-O 3.15Å
150C95.4Very high95.4Very high17 Ų1743.7 Ų43.712%0.11522%0.223CC..EExtended strand (participates in β ladder)trans-122.2135.4177.6-64.30000109.8M51 G152 I154 A236M51-C150 HydrophobicContact CB-CB 4.45Å; M51-C150 HydrophobicContact CG-CB 3.96Å; C150-G152 VanDerWaalsContact CB-O 3.29Å; C150-G152 WeakPolarHBondContact CB-O 3.31Å; C150-I154 VanDerWaalsContact CA-O 3.29Å; C150-I154 WeakPolarHBondContact CA-O 3.36Å; C150-A236 WeakPolarHBondContact O-CB 3.46Å
151C91.9Very high95.5Very high0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-99.8107.8167.9-176.70000107.3I154 Q156 A236 N287 H291C151-I154 PolarHBondContact N-O 2.87Å; C151-I154 PolarHBondContact O-N 3.37Å; C151-Q156 HydrophobicContact CB-CG 4.21Å; C151-A236 HydrophobicContact CB-CB 4.31Å; C151-N287 PolarHBondContact SG-ND2 2.65Å; C151-H291 PolarHBondContact O-NE2 3.08Å
152G87.3Confident95.6Very high22 Ų2245 Ų4523%0.22724%0.235CC..THydrogen-bonded Turntrans61.3-131.8-15600000110.9C150C150-G152 VanDerWaalsContact CB-O 3.29Å; C150-G152 WeakPolarHBondContact CB-O 3.31Å
153Y86.1Confident95.5Very high97 Ų9744.1 Ų44.138%0.3823%0.234SC..THydrogen-bonded Turntrans-92.4-5176.865.9-103.8000114I25 P155 N290 H291I25-Y153 HydrophobicContact CD1-CD1 4.31Å; I25-Y153 VanDerWaalsContact CD1-N 3.31Å; Y153-P155 WeakPolarHBondContact O-CD 3.27Å; Y153-N290 PolarHBondContact OH-O 3.39Å; Y153-H291 AromaticContact CD1-CE1 3.47Å; Y153-H291 VanDerWaalsContact CD1-CE1 3.47Å; Y153-H291 WeakPolarHBondContact CD1-CE1 3.21Å; Y153-H291 AromaticContact CD1-ND1 3.18Å; Y153-H291 WeakPolarHBondContact CD1-ND1 3.42Å; Y153-H291 AromaticContact CE1-CE1 3.57Å; Y153-H291 AromaticContact CE1-ND1 2.88Å; Y153-H291 WeakPolarHBondContact CE1-ND1 3.42Å; Y153-H291 AromaticContact CG-CE1 3.72Å; Y153-H291 AromaticContact CG-ND1 3.88Å; Y153-H291 AromaticContact CZ-CE1 3.84Å; Y153-H291 AromaticContact CZ-ND1 3.31Å; Y153-H291 VanDerWaalsContact CZ-ND1 3.31Å; Y153-H291 PolarHBondContact N-CE1 3.25Å; Y153-H291 VanDerWaalsContact N-CE1 3.26Å
154I92.7Very high95.5Very high15 Ų1543.9 Ų43.98%0.07723%0.233CC..EExtended strand (participates in β ladder)trans-85.9120-176.3-67.1167.3000108.5C150 C151 Q156 L179 N290 H291C150-I154 VanDerWaalsContact CA-O 3.29Å; C150-I154 WeakPolarHBondContact CA-O 3.36Å; C151-I154 PolarHBondContact N-O 2.87Å; C151-I154 PolarHBondContact O-N 3.37Å; I154-Q156 PolarHBondContact O-N 2.97Å; I154-L179 HydrophobicContact CD1-CD1 4.12Å; I154-L179 HydrophobicContact CG1-CD1 4.42Å; I154-L179 HydrophobicContact CG2-CD1 3.78Å; I154-N290 HydrophobicContact CD1-CB 3.48Å; I154-N290 VanDerWaalsContact CD1-CB 3.48Å; I154-H291 WeakPolarHBondContact CD1-NE2 3.49Å; I154-H291 VanDerWaalsContact CG1-CE1 3.48Å; I154-H291 WeakPolarHBondContact CG1-CE1 3.32Å
155P94.8Very high95.4Very high61 Ų6144.8 Ų44.840%0.39624%0.239SC..EExtended strand (participates in β ladder)trans-62.5135.3174.7-21.233.7000111.6Y153Y153-P155 WeakPolarHBondContact O-CD 3.27Å
156Q96.1Very high95.3Very high12 Ų1247.6 Ų47.66%0.05626%0.26CS..PPolyproline II helixtrans-85.4142.7171.4-60.9-171.296.200110.4T149 C151 I154 N158 A236T149-Q156 WeakPolarHBondContact O-CB 3.47Å; T149-Q156 PolarHBondContact O-N 3.42Å; T149-Q156 PolarHBondContact OG1-NE2 3.24Å; C151-Q156 HydrophobicContact CB-CG 4.21Å; I154-Q156 PolarHBondContact O-N 2.97Å; Q156-N158 PolarHBondContact O-N 3.29Å; Q156-A236 PolarHBondContact NE2-O 3.21Å
157V95.9Very high95.4Very high47 Ų4741.9 Ų41.929%0.28523%0.233SC..  trans-82.3106.5173.2179.20000106.8E159 H171 R172 A175V157-E159 WeakPolarHBondContact CG1-OE2 3.49Å; V157-H171 HydrophobicContact CB-CB 3.89Å; V157-H171 HydrophobicContact CG1-CB 3.77Å; V157-H171 WeakPolarHBondContact O-CB 3.34Å; V157-R172 PolarHBondContact O-NH1 3.41Å; V157-A175 HydrophobicContact CG2-CB 4.17Å
158N97.4Very high95.5Very high7 Ų739.6 Ų39.64%0.03722%0.219CC..  trans-113.210.6-168-81.2-14000113.5G144 F145 T147 T149 Q156 W160 R172G144-N158 CarbonylContact C-O 3.48Å; G144-N158 VanDerWaalsContact CA-O 3.29Å; G144-N158 WeakPolarHBondContact CA-O 3.22Å; F145-N158 HydrophobicContact CB-CB 3.93Å; F145-N158 PolarHBondContact N-O 2.91Å; T147-N158 PolarHBondContact O-ND2 3.44Å; T149-N158 PolarHBondContact N-ND2 2.96Å; T149-N158 VanDerWaalsContact N-ND2 3.15Å; T149-N158 PolarHBondContact OG1-ND2 3.26Å; Q156-N158 PolarHBondContact O-N 3.29Å; N158-W160 PolarHBondContact O-N 3.36Å; N158-R172 PolarHBondContact OD1-NH2 2.87Å
159E97.4Very high95.6Very high114 Ų11439.7 Ų39.753%0.53322%0.217SC..  trans-52.3132.8175.7-69.881.1170.500110.6V157 Q161V157-E159 WeakPolarHBondContact CG1-OE2 3.49Å; E159-Q161 PolarHBondContact O-N 3.08Å
160W98Very high95.6Very high102 Ų10248 Ų4839%0.38625%0.249SC..  trans-64.3129.7-174.6-65108.4000112.3V140 K142 F143 G144 H146 N158 Y239V140-W160 HydrophobicContact CG1-CE3 4.45Å; V140-W160 HydrophobicContact CG1-CH2 3.78Å; V140-W160 HydrophobicContact CG1-CZ3 3.5Å; V140-W160 VanDerWaalsContact CG1-CZ3 3.5Å; K142-W160 HydrophobicContact CB-CB 4.36Å; K142-W160 HydrophobicContact CB-CE3 3.82Å; K142-W160 HydrophobicContact CD-CB 4.12Å; K142-W160 WeakPolarHBondContact O-CZ3 3.45Å; F143-W160 CarbonylContact O-C 3.46Å; F143-W160 VanDerWaalsContact O-CA 3.28Å; F143-W160 WeakPolarHBondContact O-CA 3.29Å; G144-W160 VanDerWaalsContact C-CZ3 3.46Å; G144-W160 WeakPolarHBondContact O-CZ3 3.14Å; H146-W160 HydrophobicContact CB-CZ2 4.24Å; N158-W160 PolarHBondContact O-N 3.36Å; W160-Y239 AromaticContact CH2-CD2 3.9Å; W160-Y239 HydrophobicContact CH2-CD2 3.9Å; W160-Y239 HydrophobicContact CH2-CE2 4.42Å; W160-Y239 HydrophobicContact CZ3-CD2 4.16Å
161Q98.1Very high95.7Very high63 Ų6348 Ų4829%0.29425%0.247SC..BIsolated β-bridgetrans-132144.6176.1-62.4-61.4-2900110.4K142 F143 E159 F167 H171K142-Q161 CarbonylContact C-O 3.46Å; K142-Q161 WeakPolarHBondContact CA-O 3.37Å; K142-Q161 WeakPolarHBondContact CB-O 3.38Å; F143-Q161 WeakPolarHBondContact CD2-O 3.28Å; F143-Q161 PolarHBondContact N-O 3.36Å; F143-Q161 PolarHBondContact O-N 3.04Å; E159-Q161 PolarHBondContact O-N 3.08Å; Q161-F167 HydrophobicContact CB-CB 3.98Å; Q161-F167 HydrophobicContact CB-CD2 3.91Å; Q161-F167 HydrophobicContact CB-CG 4.43Å; Q161-F167 HydrophobicContact CG-CB 4.27Å; Q161-F167 HydrophobicContact CG-CD2 3.79Å; Q161-H171 PolarHBondContact NE2-NE2 3.18Å
162S97.1Very high95.9Very high95 Ų9548.1 Ų48.166%0.66425%0.247SC*.SBendtrans-85.4-14.3177.753.60000113.8
163D96.5Very high96.5Very high70 Ų7047 Ų4737%0.37424%0.237SC..  trans-118122-175.1179.266.9000110.9P165 S166 F167D163-P165 WeakPolarHBondContact OD1-CD 3.42Å; D163-S166 WeakPolarHBondContact OD2-CB 3.46Å; D163-S166 PolarHBondContact OD2-N 3.5Å; D163-S166 PolarHBondContact OD2-OG 3.38Å; D163-F167 WeakPolarHBondContact O-CB 3.5Å; D163-F167 PolarHBondContact O-N 3Å
164W98Very high97Very high3 Ų344.7 Ų44.71%0.01123%0.229CC..Hα-helixtrans-68-49.2-176.1168.7-101.1000113.2F143 S166 F167 F168 F204 I209 F238 H241 Y280F143-W164 HydrophobicContact CB-CE3 4.25Å; F143-W164 HydrophobicContact CD1-CB 4.32Å; F143-W164 HydrophobicContact CD1-CD2 4.45Å; F143-W164 AromaticContact CD1-CE3 3.62Å; F143-W164 HydrophobicContact CD1-CE3 3.62Å; F143-W164 HydrophobicContact CD1-CZ3 4.33Å; F143-W164 HydrophobicContact CD2-CB 3.93Å; F143-W164 HydrophobicContact CE1-CB 3.94Å; F143-W164 HydrophobicContact CE1-CE3 4.1Å; F143-W164 HydrophobicContact CE2-CB 3.56Å; F143-W164 VanDerWaalsContact CE2-N 3.26Å; F143-W164 HydrophobicContact CG-CB 4.31Å; F143-W164 AromaticContact CG-CE3 3.87Å; F143-W164 HydrophobicContact CG-CE3 3.87Å; F143-W164 HydrophobicContact CZ-CB 3.56Å; W164-S166 VanDerWaalsContact C-N 3.28Å; W164-S166 PolarHBondContact O-N 2.97Å; W164-F167 AromaticContact CE3-CD1 3.97Å; W164-F167 HydrophobicContact CE3-CD1 3.97Å; W164-F167 AromaticContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CE1 4.04Å; W164-F167 PolarHBondContact O-N 3.36Å; W164-F168 HydrophobicContact CD2-CB 4.34Å; W164-F168 HydrophobicContact CH2-CB 4.4Å; W164-F168 HydrophobicContact CH2-CD2 4.13Å; W164-F168 HydrophobicContact CZ2-CB 4Å; W164-F168 AromaticContact CZ2-CD2 3.87Å; W164-F168 HydrophobicContact CZ2-CD2 3.87Å; W164-F168 HydrophobicContact CZ2-CG 4.04Å; W164-F168 WeakPolarHBondContact O-CB 3.12Å; W164-F168 PolarHBondContact O-N 3.31Å; W164-F204 AromaticContact CD1-CD1 3.91Å; W164-F204 AromaticContact CD1-CE1 3.65Å; W164-F204 AromaticContact NE1-CE1 3.41Å; W164-F204 AromaticContact NE1-CZ 3.58Å; W164-I209 HydrophobicContact CB-CB 4.35Å; W164-I209 HydrophobicContact CB-CD1 3.93Å; W164-I209 HydrophobicContact CB-CG2 4.02Å; W164-I209 HydrophobicContact CG-CD1 3.78Å; W164-I209 HydrophobicContact CG-CG2 4.04Å; W164-F238 AromaticContact CH2-CE2 3.98Å; W164-F238 HydrophobicContact CH2-CE2 3.98Å; W164-F238 AromaticContact CZ3-CE2 3.97Å; W164-F238 HydrophobicContact CZ3-CE2 3.97Å; W164-H241 HydrophobicContact CD2-CB 3.77Å; W164-H241 HydrophobicContact CE3-CB 4.37Å; W164-H241 HydrophobicContact CG-CB 4.21Å; W164-H241 HydrophobicContact CH2-CB 4.14Å; W164-H241 HydrophobicContact CZ2-CB 3.51Å; W164-H241 VanDerWaalsContact CZ3-N 3.35Å; W164-Y280 VanDerWaalsContact CE2-OH 3.32Å; W164-Y280 AromaticContact CZ2-CE1 3.63Å; W164-Y280 HydrophobicContact CZ2-CE1 3.63Å; W164-Y280 AromaticContact CZ2-CZ 3.89Å; W164-Y280 WeakPolarHBondContact CZ2-OH 3.41Å; W164-Y280 AromaticContact NE1-CZ 3.98Å; W164-Y280 PolarHBondContact NE1-OH 2.92Å
165P96.9Very high97.2Very high18 Ų1845.4 Ų45.412%0.11724%0.237CC..Hα-helixtrans-53.3-45.2176-28.635.7000112.8D163 F168 V169 F204D163-P165 WeakPolarHBondContact OD1-CD 3.42Å; P165-F168 PolarHBondContact O-N 3.17Å; P165-V169 WeakPolarHBondContact O-CB 3.32Å; P165-V169 VanDerWaalsContact O-CG2 3.27Å; P165-V169 WeakPolarHBondContact O-CG2 3.19Å; P165-V169 PolarHBondContact O-N 2.91Å; P165-F204 HydrophobicContact CB-CD2 4.2Å; P165-F204 HydrophobicContact CG-CB 3.77Å; P165-F204 HydrophobicContact CG-CD2 3.86Å; P165-F204 HydrophobicContact CG-CG 3.93Å
166S95.9Very high97.4Very high66 Ų6643 Ų4346%0.46222%0.22SC..Hα-helixtrans-63.2-46.1177.2-610000112D163 W164 R170D163-S166 WeakPolarHBondContact OD2-CB 3.46Å; D163-S166 PolarHBondContact OD2-N 3.5Å; D163-S166 PolarHBondContact OD2-OG 3.38Å; W164-S166 VanDerWaalsContact C-N 3.28Å; W164-S166 PolarHBondContact O-N 2.97Å; S166-R170 VanDerWaalsContact O-CB 3.26Å; S166-R170 WeakPolarHBondContact O-CB 3.49Å; S166-R170 PolarHBondContact O-N 3.11Å
167F98.2Very high97.5Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-58.1-50.8175.4-179.2-91000111.2F143 Q161 D163 W164 H171 R172 F238F143-F167 HydrophobicContact CB-CB 4.17Å; F143-F167 HydrophobicContact CB-CD1 4.17Å; F143-F167 HydrophobicContact CB-CD2 4Å; F143-F167 HydrophobicContact CB-CE2 4.45Å; F143-F167 HydrophobicContact CB-CG 3.84Å; Q161-F167 HydrophobicContact CB-CB 3.98Å; Q161-F167 HydrophobicContact CB-CD2 3.91Å; Q161-F167 HydrophobicContact CB-CG 4.43Å; Q161-F167 HydrophobicContact CG-CB 4.27Å; Q161-F167 HydrophobicContact CG-CD2 3.79Å; D163-F167 WeakPolarHBondContact O-CB 3.5Å; D163-F167 PolarHBondContact O-N 3Å; W164-F167 AromaticContact CE3-CD1 3.97Å; W164-F167 HydrophobicContact CE3-CD1 3.97Å; W164-F167 AromaticContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CE1 4.04Å; W164-F167 PolarHBondContact O-N 3.36Å; F167-H171 HydrophobicContact CD2-CB 4.29Å; F167-H171 AromaticContact CD2-CD2 3.67Å; F167-H171 HydrophobicContact CE2-CB 4.25Å; F167-H171 AromaticContact CE2-CD2 3.85Å; F167-H171 HydrophobicContact CZ-CB 4.5Å; F167-H171 WeakPolarHBondContact O-CA 3.46Å; F167-H171 VanDerWaalsContact O-CB 3.24Å; F167-H171 WeakPolarHBondContact O-CB 3.17Å; F167-H171 PolarHBondContact O-N 2.93Å; F167-R172 HydrophobicContact CE1-CG 4.38Å; F167-F238 AromaticContact CE1-CD2 3.86Å; F167-F238 HydrophobicContact CE1-CD2 3.86Å; F167-F238 AromaticContact CE1-CE2 3.9Å; F167-F238 HydrophobicContact CE1-CE2 3.9Å; F167-F238 HydrophobicContact CZ-CD2 4.13Å
168F98.3Very high97.6Very high0 Ų044.7 Ų44.70%023%0.228CC..Iπ-helixtrans-68.2-43.8-175.1-176.6-110.5000112.3W164 P165 R172 L173 F244 L279 Y280 F283W164-F168 HydrophobicContact CD2-CB 4.34Å; W164-F168 HydrophobicContact CH2-CB 4.4Å; W164-F168 HydrophobicContact CH2-CD2 4.13Å; W164-F168 HydrophobicContact CZ2-CB 4Å; W164-F168 AromaticContact CZ2-CD2 3.87Å; W164-F168 HydrophobicContact CZ2-CD2 3.87Å; W164-F168 HydrophobicContact CZ2-CG 4.04Å; W164-F168 WeakPolarHBondContact O-CB 3.12Å; W164-F168 PolarHBondContact O-N 3.31Å; P165-F168 PolarHBondContact O-N 3.17Å; F168-R172 HydrophobicContact CD2-CB 3.81Å; F168-R172 HydrophobicContact CD2-CG 3.92Å; F168-R172 HydrophobicContact CE2-CB 3.97Å; F168-R172 HydrophobicContact CE2-CG 4.35Å; F168-R172 VanDerWaalsContact O-CB 3.29Å; F168-R172 WeakPolarHBondContact O-CB 3.14Å; F168-R172 PolarHBondContact O-N 3.01Å; F168-L173 HydrophobicContact CD1-CD1 4.07Å; F168-L173 HydrophobicContact CD1-CG 4.48Å; F168-L173 HydrophobicContact CE1-CD1 3.45Å; F168-L173 VanDerWaalsContact CE1-CD1 3.45Å; F168-L173 HydrophobicContact CE1-CG 3.88Å; F168-L173 HydrophobicContact CZ-CD1 3.94Å; F168-L173 HydrophobicContact CZ-CD2 4.19Å; F168-L173 HydrophobicContact CZ-CG 3.89Å; F168-L173 PolarHBondContact O-N 2.92Å; F168-F244 HydrophobicContact CD2-CD2 4.41Å; F168-F244 AromaticContact CE2-CD2 3.88Å; F168-F244 HydrophobicContact CE2-CD2 3.88Å; F168-F244 AromaticContact CE2-CE2 3.89Å; F168-F244 HydrophobicContact CE2-CE2 3.89Å; F168-L279 HydrophobicContact CD1-CD2 4.41Å; F168-L279 HydrophobicContact CE1-CD1 4.21Å; F168-L279 HydrophobicContact CE1-CD2 3.92Å; F168-L279 HydrophobicContact CE1-CG 3.76Å; F168-L279 HydrophobicContact CZ-CG 4.48Å; F168-Y280 HydrophobicContact CD1-CE1 4.21Å; F168-Y280 HydrophobicContact CD2-CD1 4.35Å; F168-Y280 HydrophobicContact CD2-CE1 4.03Å; F168-Y280 HydrophobicContact CE1-CD1 4.03Å; F168-Y280 AromaticContact CE1-CE1 3.96Å; F168-Y280 HydrophobicContact CE1-CE1 3.96Å; F168-Y280 AromaticContact CE2-CD1 3.65Å; F168-Y280 HydrophobicContact CE2-CD1 3.65Å; F168-Y280 AromaticContact CE2-CE1 3.78Å; F168-Y280 HydrophobicContact CE2-CE1 3.78Å; F168-Y280 HydrophobicContact CG-CE1 4.25Å; F168-Y280 AromaticContact CZ-CD1 3.46Å; F168-Y280 HydrophobicContact CZ-CD1 3.46Å; F168-Y280 VanDerWaalsContact CZ-CD1 3.46Å; F168-Y280 AromaticContact CZ-CE1 3.75Å; F168-Y280 HydrophobicContact CZ-CE1 3.75Å; F168-F283 HydrophobicContact CE2-CB 4.28Å; F168-F283 HydrophobicContact CZ-CB 4.18Å
169V97.9Very high97.6Very high25 Ų2547 Ų4715%0.15224%0.24CC..Iπ-helixtrans-63.4-48.4177.4170.30000110.9P165 Q174 W193 K197 I200P165-V169 WeakPolarHBondContact O-CB 3.32Å; P165-V169 VanDerWaalsContact O-CG2 3.27Å; P165-V169 WeakPolarHBondContact O-CG2 3.19Å; P165-V169 PolarHBondContact O-N 2.91Å; V169-Q174 VanDerWaalsContact O-CB 3.24Å; V169-Q174 WeakPolarHBondContact O-CB 3.29Å; V169-Q174 PolarHBondContact O-N 2.85Å; V169-W193 HydrophobicContact CG1-CH2 4.01Å; V169-W193 HydrophobicContact CG1-CZ2 4.05Å; V169-K197 HydrophobicContact CG1-CB 4.36Å; V169-I200 HydrophobicContact CG2-CB 3.86Å; V169-I200 HydrophobicContact CG2-CD1 4.02Å; V169-I200 HydrophobicContact CG2-CG2 3.47Å; V169-I200 VanDerWaalsContact CG2-CG2 3.47Å
170R97.1Very high97.6Very high174 Ų17441.7 Ų41.766%0.65722%0.216SC*.Iπ-helixtrans-82.7-48.9-172.7-170.7179.8175.5171.9-0.1113.2S166 A175S166-R170 VanDerWaalsContact O-CB 3.26Å; S166-R170 WeakPolarHBondContact O-CB 3.49Å; S166-R170 PolarHBondContact O-N 3.11Å; R170-A175 PolarHBondContact O-N 3.22Å
171H97.6Very high97.5Very high16 Ų1640.1 Ų40.17%0.07421%0.213CC..Iπ-helixtrans-94.6-7.2-169.4-60.6-6.8000113.5V157 Q161 F167V157-H171 HydrophobicContact CB-CB 3.89Å; V157-H171 HydrophobicContact CG1-CB 3.77Å; V157-H171 WeakPolarHBondContact O-CB 3.34Å; Q161-H171 PolarHBondContact NE2-NE2 3.18Å; F167-H171 HydrophobicContact CD2-CB 4.29Å; F167-H171 AromaticContact CD2-CD2 3.67Å; F167-H171 HydrophobicContact CE2-CB 4.25Å; F167-H171 AromaticContact CE2-CD2 3.85Å; F167-H171 HydrophobicContact CZ-CB 4.5Å; F167-H171 WeakPolarHBondContact O-CA 3.46Å; F167-H171 VanDerWaalsContact O-CB 3.24Å; F167-H171 WeakPolarHBondContact O-CB 3.17Å; F167-H171 PolarHBondContact O-N 2.93Å
172R97.6Very high97.5Very high3 Ų345 Ų451%0.01123%0.233CC..Iπ-helixtrans-114.6-72.8170.9-61.7-70.9177.5-856.4110.7V157 N158 F167 F168 Q176 F238 F283V157-R172 PolarHBondContact O-NH1 3.41Å; N158-R172 PolarHBondContact OD1-NH2 2.87Å; F167-R172 HydrophobicContact CE1-CG 4.38Å; F168-R172 HydrophobicContact CD2-CB 3.81Å; F168-R172 HydrophobicContact CD2-CG 3.92Å; F168-R172 HydrophobicContact CE2-CB 3.97Å; F168-R172 HydrophobicContact CE2-CG 4.35Å; F168-R172 VanDerWaalsContact O-CB 3.29Å; F168-R172 WeakPolarHBondContact O-CB 3.14Å; F168-R172 PolarHBondContact O-N 3.01Å; R172-Q176 WeakPolarHBondContact O-CG 3.43Å; R172-Q176 PolarHBondContact O-N 2.87Å; R172-F238 VanDerWaalsContact NH2-CD1 3.33Å; R172-F238 VanDerWaalsContact NH2-CD2 3.28Å; R172-F283 HydrophobicContact CB-CD2 3.72Å; R172-F283 HydrophobicContact CB-CE2 3.74Å; R172-F283 HydrophobicContact CG-CE2 4.27Å
173L98.3Very high97.4Very high0 Ų045 Ų450%023%0.226CC..Iπ-helixtrans-67.2-51.4-170.2-68.6175.6000113.6F168 A175 Q176 L177 W193 I200 L279 L282 F283 I286F168-L173 HydrophobicContact CD1-CD1 4.07Å; F168-L173 HydrophobicContact CD1-CG 4.48Å; F168-L173 HydrophobicContact CE1-CD1 3.45Å; F168-L173 VanDerWaalsContact CE1-CD1 3.45Å; F168-L173 HydrophobicContact CE1-CG 3.88Å; F168-L173 HydrophobicContact CZ-CD1 3.94Å; F168-L173 HydrophobicContact CZ-CD2 4.19Å; F168-L173 HydrophobicContact CZ-CG 3.89Å; F168-L173 PolarHBondContact O-N 2.92Å; L173-A175 PolarHBondContact O-N 2.88Å; L173-Q176 PolarHBondContact O-N 3.15Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.2Å; L173-W193 HydrophobicContact CB-CH2 3.43Å; L173-W193 VanDerWaalsContact CB-CH2 3.43Å; L173-W193 HydrophobicContact CB-CZ2 4.06Å; L173-W193 HydrophobicContact CB-CZ3 3.92Å; L173-W193 HydrophobicContact CD1-CH2 3.83Å; L173-W193 HydrophobicContact CD1-CZ3 3.81Å; L173-W193 HydrophobicContact CG-CH2 4.3Å; L173-W193 HydrophobicContact CG-CZ3 4.48Å; L173-I200 HydrophobicContact CD1-CD1 3.59Å; L173-L279 HydrophobicContact CD1-CD1 3.98Å; L173-L282 HydrophobicContact CD2-CG 4.36Å; L173-F283 HydrophobicContact CD2-CB 3.87Å; L173-F283 HydrophobicContact CD2-CD2 4.49Å; L173-I286 HydrophobicContact CD2-CD1 3.82Å
174Q98.1Very high97.4Very high48 Ų4846.2 Ų46.222%0.22423%0.225CC..Iπ-helixtrans-60.7-46.9-179.9-17669.266.600111.1V169 Q176 L177 D178 W193V169-Q174 VanDerWaalsContact O-CB 3.24Å; V169-Q174 WeakPolarHBondContact O-CB 3.29Å; V169-Q174 PolarHBondContact O-N 2.85Å; Q174-Q176 VanDerWaalsContact C-N 3.28Å; Q174-Q176 PolarHBondContact O-N 3.28Å; Q174-L177 PolarHBondContact O-N 3.45Å; Q174-L177 VanDerWaalsContact O-N 3.1Å; Q174-D178 PolarHBondContact NE2-OD1 3.21Å; Q174-D178 PolarHBondContact O-N 2.85Å; Q174-W193 HydrophobicContact CB-CZ2 4.13Å
175A97.3Very high97.4Very high30 Ų3047.6 Ų47.625%0.24824%0.241CC..Hα-helixtrans-56.7-40.5178.700000112.9V157 R170 L173V157-A175 HydrophobicContact CG2-CB 4.17Å; R170-A175 PolarHBondContact O-N 3.22Å; L173-A175 PolarHBondContact O-N 2.88Å
176Q97.6Very high97.4Very high9 Ų947.7 Ų47.74%0.04224%0.241CC..Hα-helixtrans-73.4-35.8176.9-72.7-82.1-11.900112.4R172 L173 Q174 L179 I180 F283 I286 N287 N290R172-Q176 WeakPolarHBondContact O-CG 3.43Å; R172-Q176 PolarHBondContact O-N 2.87Å; L173-Q176 PolarHBondContact O-N 3.15Å; Q174-Q176 VanDerWaalsContact C-N 3.28Å; Q174-Q176 PolarHBondContact O-N 3.28Å; Q176-L179 WeakPolarHBondContact O-CB 3.49Å; Q176-L179 PolarHBondContact O-N 2.97Å; Q176-I180 PolarHBondContact O-N 3.43Å; Q176-F283 HydrophobicContact CG-CD2 4.33Å; Q176-F283 HydrophobicContact CG-CE2 3.85Å; Q176-I286 HydrophobicContact CB-CB 4.41Å; Q176-I286 HydrophobicContact CB-CG2 3.61Å; Q176-N287 PolarHBondContact NE2-OD1 3.44Å; Q176-N290 PolarHBondContact O-ND2 3.23Å; Q176-N290 PolarHBondContact OE1-ND2 3.01Å
177L98Very high97.5Very high10 Ų1053.8 Ų53.85%0.05225%0.253CS..Hα-helixtrans-72.8-29.9176.8-77.6163.4000113.1L173 Q174 L179 I180 E181 W193 I286L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.2Å; Q174-L177 PolarHBondContact O-N 3.45Å; Q174-L177 VanDerWaalsContact O-N 3.1Å; L177-L179 VanDerWaalsContact C-N 3.25Å; L177-L179 PolarHBondContact O-N 3.4Å; L177-I180 PolarHBondContact O-N 2.81Å; L177-E181 WeakPolarHBondContact O-CB 3.43Å; L177-E181 PolarHBondContact O-N 2.81Å; L177-W193 HydrophobicContact CD1-CB 3.92Å; L177-W193 HydrophobicContact CD1-CD2 3.21Å; L177-W193 HydrophobicContact CD1-CE3 3.54Å; L177-W193 HydrophobicContact CD1-CG 3.39Å; L177-W193 HydrophobicContact CD1-CZ2 4.23Å; L177-W193 HydrophobicContact CD1-CZ3 4.19Å; L177-I286 HydrophobicContact CD1-CD1 4.29Å; L177-I286 HydrophobicContact CD2-CD1 4.25Å; L177-I286 HydrophobicContact CD2-CG2 4.41Å; L177-I286 HydrophobicContact CG-CD1 4.07Å; L177-I286 HydrophobicContact CG-CG2 4.41Å
178D98Very high97.5Very high85 Ų8556.5 Ų56.546%0.45527%0.266SS..Hα-helixtrans-63.4-35.2172.7-68.5-19.3000110.9Q174 K182Q174-D178 PolarHBondContact NE2-OD1 3.21Å; Q174-D178 PolarHBondContact O-N 2.85Å; D178-K182 VanDerWaalsContact O-CB 3.29Å; D178-K182 WeakPolarHBondContact O-CB 3.39Å; D178-K182 PolarHBondContact O-N 2.98Å
179L97.1Very high97.5Very high55 Ų5556.6 Ų56.629%0.28827%0.267SS..Hα-helixtrans-66.4-45.1171.7-61.7175.3000111.4I154 Q176 L177 E181 K182 D183 N290I154-L179 HydrophobicContact CD1-CD1 4.12Å; I154-L179 HydrophobicContact CG1-CD1 4.42Å; I154-L179 HydrophobicContact CG2-CD1 3.78Å; Q176-L179 WeakPolarHBondContact O-CB 3.49Å; Q176-L179 PolarHBondContact O-N 2.97Å; L177-L179 VanDerWaalsContact C-N 3.25Å; L177-L179 PolarHBondContact O-N 3.4Å; L179-E181 VanDerWaalsContact C-N 3.32Å; L179-E181 PolarHBondContact O-N 3.18Å; L179-K182 PolarHBondContact O-N 3.32Å; L179-D183 WeakPolarHBondContact O-CB 3.39Å; L179-D183 PolarHBondContact O-N 3.39Å; L179-N290 WeakPolarHBondContact CB-OD1 3.37Å
180I97.4Very high97.5Very high3 Ų361.3 Ų61.32%0.01528%0.282CS..Hα-helixtrans-60.7-43.1176.3-67.1-64.2000111.6Q176 L177 Y184 G185 D186 I286 W289 N290Q176-I180 PolarHBondContact O-N 3.43Å; L177-I180 PolarHBondContact O-N 2.81Å; I180-Y184 HydrophobicContact CD1-CD2 3.81Å; I180-Y184 HydrophobicContact CD1-CE2 3.86Å; I180-Y184 HydrophobicContact CG2-CD2 4.29Å; I180-Y184 WeakPolarHBondContact O-CA 3.37Å; I180-Y184 WeakPolarHBondContact O-CB 3.47Å; I180-Y184 PolarHBondContact O-N 2.8Å; I180-G185 PolarHBondContact O-N 3.08Å; I180-D186 HydrophobicContact CG2-CB 4.26Å; I180-I286 HydrophobicContact CG1-CG2 3.95Å; I180-W289 HydrophobicContact CD1-CB 3.94Å; I180-W289 HydrophobicContact CD1-CD2 3.44Å; I180-W289 VanDerWaalsContact CD1-CD2 3.44Å; I180-W289 HydrophobicContact CD1-CE3 3.85Å; I180-W289 HydrophobicContact CD1-CG 3.47Å; I180-W289 VanDerWaalsContact CD1-CG 3.47Å; I180-W289 HydrophobicContact CD1-CZ2 4.41Å; I180-W289 HydrophobicContact CD1-CZ3 4.5Å; I180-W289 HydrophobicContact CG1-CD2 4.32Å; I180-W289 HydrophobicContact CG1-CE3 4.26Å; I180-W289 HydrophobicContact CG2-CD2 4.47Å; I180-W289 HydrophobicContact CG2-CE3 4.27Å; I180-W289 HydrophobicContact CG2-CH2 3.63Å; I180-W289 HydrophobicContact CG2-CZ2 3.84Å; I180-W289 HydrophobicContact CG2-CZ3 3.87Å; I180-N290 WeakPolarHBondContact CD1-OD1 3.36Å; I180-N290 WeakPolarHBondContact CG1-OD1 3.41Å; I180-N290 PolarHBondContact N-OD1 3.28Å
181E97.2Very high97.5Very high70 Ų7058.7 Ų58.733%0.32728%0.277SS..Hα-helixtrans-62.2-45.2177.117558.5-155.700111.1L177 L179 G185 R190L177-E181 WeakPolarHBondContact O-CB 3.43Å; L177-E181 PolarHBondContact O-N 2.81Å; L179-E181 VanDerWaalsContact C-N 3.32Å; L179-E181 PolarHBondContact O-N 3.18Å; E181-G185 WeakPolarHBondContact O-CA 3.44Å; E181-G185 PolarHBondContact O-N 3.43Å; E181-R190 VanDerWaalsContact CD-CZ 3.46Å; E181-R190 IonicContact OE1-CZ 3.2Å; E181-R190 IonicContact OE1-NE 2.67Å; E181-R190 PolarHBondContact OE1-NE 2.87Å; E181-R190 IonicContact OE1-NH1 2.61Å; E181-R190 IonicContact OE1-NH2 3.02Å; E181-R190 PolarHBondContact OE1-NH2 2.93Å; E181-R190 IonicContact OE2-CZ 3.37Å; E181-R190 IonicContact OE2-NE 3.92Å; E181-R190 PolarHBondContact OE2-NE 3.04Å; E181-R190 IonicContact OE2-NH2 3.53Å; E181-R190 PolarHBondContact OE2-NH2 3.29Å
182K97.3Very high97.6Very high164 Ų16458.9 Ų58.971%0.71328%0.278SS*.Hα-helixtrans-63.2-45.1178.1-179.6-168.8168.1-165.20112.6D178 L179D178-K182 VanDerWaalsContact O-CB 3.29Å; D178-K182 WeakPolarHBondContact O-CB 3.39Å; D178-K182 PolarHBondContact O-N 2.98Å; L179-K182 PolarHBondContact O-N 3.32Å
183D96.3Very high97.6Very high96 Ų9659.3 Ų59.351%0.51328%0.28SS..Hα-helixtrans-90.7-27.9-169.4-66.1-12.8000112.7L179L179-D183 WeakPolarHBondContact O-CB 3.39Å; L179-D183 PolarHBondContact O-N 3.39Å
184Y96.5Very high97.6Very high95 Ų9562 Ų6237%0.37330%0.299SS..Hα-helixtrans-123.4-21.4-176.4-57-77.9000114.8I180 D186 W289 T294I180-Y184 HydrophobicContact CD1-CD2 3.81Å; I180-Y184 HydrophobicContact CD1-CE2 3.86Å; I180-Y184 HydrophobicContact CG2-CD2 4.29Å; I180-Y184 WeakPolarHBondContact O-CA 3.37Å; I180-Y184 WeakPolarHBondContact O-CB 3.47Å; I180-Y184 PolarHBondContact O-N 2.8Å; Y184-D186 PolarHBondContact O-N 2.61Å; Y184-W289 HydrophobicContact CD2-CZ2 4.41Å; Y184-W289 AromaticContact CD2-NE1 3.63Å; Y184-W289 AromaticContact CE2-CD1 3.83Å; Y184-W289 AromaticContact CE2-NE1 3.51Å; Y184-W289 HydrophobicContact CG-CZ2 4.41Å; Y184-W289 AromaticContact CG-NE1 3.98Å; Y184-W289 AromaticContact CZ-NE1 3.77Å; Y184-T294 HydrophobicContact CD1-CG2 3.96Å; Y184-T294 HydrophobicContact CE1-CG2 3.79Å
185G96.5Very high97.6Very high33 Ų3364.7 Ų64.734%0.3431%0.311SS..  trans58.234.6-176.900000113.8I180 E181 R187I180-G185 PolarHBondContact O-N 3.08Å; E181-G185 WeakPolarHBondContact O-CA 3.44Å; E181-G185 PolarHBondContact O-N 3.43Å; G185-R187 PolarHBondContact O-N 3.02Å; G185-R187 VanDerWaalsContact O-N 3.07Å
186D97.7Very high97.6Very high20 Ų2063.2 Ų63.211%0.10730%0.3CS..  trans-70.3105.7-170.2-164.6-80.4000112.7I180 Y184 E188 A189 R190 W289 R297I180-D186 HydrophobicContact CG2-CB 4.26Å; Y184-D186 PolarHBondContact O-N 2.61Å; D186-E188 PolarHBondContact O-N 2.98Å; D186-E188 PolarHBondContact OD1-N 2.99Å; D186-A189 HydrophobicContact CB-CB 3.95Å; D186-A189 PolarHBondContact O-N 2.82Å; D186-A189 WeakPolarHBondContact OD1-CB 3.18Å; D186-A189 PolarHBondContact OD1-N 2.98Å; D186-R190 PolarHBondContact O-N 3.18Å; D186-R190 VanDerWaalsContact O-N 3.11Å; D186-W289 HydrophobicContact CB-CH2 3.75Å; D186-W289 HydrophobicContact CB-CZ2 4.13Å; D186-R297 IonicContact OD1-CZ 3.96Å; D186-R297 IonicContact OD1-NE 3.99Å; D186-R297 IonicContact OD1-NH2 3.94Å; D186-R297 PolarHBondContact OD1-NH2 3.27Å; D186-R297 VanDerWaalsContact OD1-NH2 3.13Å; D186-R297 IonicContact OD2-CZ 3.17Å; D186-R297 IonicContact OD2-NE 2.64Å; D186-R297 PolarHBondContact OD2-NE 3.48Å; D186-R297 IonicContact OD2-NH2 2.84Å; D186-R297 PolarHBondContact OD2-NH2 2.99Å
187R97.5Very high97.6Very high194 Ų19466.6 Ų66.673%0.73231%0.314SS*.Hα-helixtrans-61.4-41.8-176.4-64.2-176.7-177.9-179.10.3112.9G185 R190 E191G185-R187 PolarHBondContact O-N 3.02Å; G185-R187 VanDerWaalsContact O-N 3.07Å; R187-R190 WeakPolarHBondContact O-CB 3.42Å; R187-R190 PolarHBondContact O-N 2.81Å; R187-E191 WeakPolarHBondContact O-CG 3.49Å; R187-E191 PolarHBondContact O-N 2.82Å
188E98.1Very high97.5Very high56 Ų5672.2 Ų72.226%0.26234%0.343SS..Hα-helixtrans-69.7-42.3-176.9-171178.5-174.300111.3D186 R190 E191 L192 R297 L301 R305D186-E188 PolarHBondContact O-N 2.98Å; D186-E188 PolarHBondContact OD1-N 2.99Å; E188-R190 VanDerWaalsContact C-N 3.28Å; E188-R190 PolarHBondContact O-N 2.72Å; E188-E191 PolarHBondContact O-N 2.78Å; E188-L192 HydrophobicContact CG-CD1 3.98Å; E188-L192 HydrophobicContact CG-CG 4.32Å; E188-L192 WeakPolarHBondContact O-CB 3.26Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.43Å; E188-L192 PolarHBondContact O-N 3.44Å; E188-R297 IonicContact OE2-NH1 3.98Å; E188-R297 IonicContact OE2-NH2 3.5Å; E188-L301 HydrophobicContact CB-CD2 4.39Å; E188-L301 HydrophobicContact CG-CD1 4.5Å; E188-L301 HydrophobicContact CG-CD2 4.22Å; E188-L301 WeakPolarHBondContact OE2-CD1 3.48Å; E188-R305 VanDerWaalsContact CD-NH2 3.34Å; E188-R305 IonicContact OE1-CZ 2.87Å; E188-R305 IonicContact OE1-NE 3.55Å; E188-R305 PolarHBondContact OE1-NE 2.77Å; E188-R305 IonicContact OE1-NH2 3.13Å; E188-R305 PolarHBondContact OE1-NH2 2.6Å; E188-R305 IonicContact OE2-NH2 3.63Å; E188-R305 PolarHBondContact OE2-NH2 2.93Å
189A98.1Very high97.4Very high2 Ų272.2 Ų72.22%0.01734%0.339CS..Hα-helixtrans-57.7-43.8173.400000111D186 W193 W289 L301D186-A189 HydrophobicContact CB-CB 3.95Å; D186-A189 PolarHBondContact O-N 2.82Å; D186-A189 WeakPolarHBondContact OD1-CB 3.18Å; D186-A189 PolarHBondContact OD1-N 2.98Å; A189-W193 WeakPolarHBondContact O-CB 3.48Å; A189-W193 PolarHBondContact O-N 3.49Å; A189-W289 HydrophobicContact CB-CH2 4.2Å; A189-W289 HydrophobicContact CB-CZ3 4.19Å; A189-L301 HydrophobicContact CB-CD2 3.92Å
190R98.1Very high97.4Very high124 Ų12469.6 Ų69.647%0.46833%0.326SS..Hα-helixtrans-61.5-47.4177.4-168.3-170.5-50.5163.813112.4E181 D186 R187 E188 W193 S194E181-R190 VanDerWaalsContact CD-CZ 3.46Å; E181-R190 IonicContact OE1-CZ 3.2Å; E181-R190 IonicContact OE1-NE 2.67Å; E181-R190 PolarHBondContact OE1-NE 2.87Å; E181-R190 IonicContact OE1-NH1 2.61Å; E181-R190 IonicContact OE1-NH2 3.02Å; E181-R190 PolarHBondContact OE1-NH2 2.93Å; E181-R190 IonicContact OE2-CZ 3.37Å; E181-R190 IonicContact OE2-NE 3.92Å; E181-R190 PolarHBondContact OE2-NE 3.04Å; E181-R190 IonicContact OE2-NH2 3.53Å; E181-R190 PolarHBondContact OE2-NH2 3.29Å; D186-R190 PolarHBondContact O-N 3.18Å; D186-R190 VanDerWaalsContact O-N 3.11Å; R187-R190 WeakPolarHBondContact O-CB 3.42Å; R187-R190 PolarHBondContact O-N 2.81Å; E188-R190 VanDerWaalsContact C-N 3.28Å; E188-R190 PolarHBondContact O-N 2.72Å; R190-W193 PolarHBondContact O-N 3.23Å; R190-S194 PolarHBondContact O-N 3.03Å
191E98.3Very high97.2Very high120 Ų12072.5 Ų72.556%0.56135%0.345SS*.Hα-helixtrans-62.7-48.9179.4-75.6171.3-16800111.4R187 E188 W193 S194 Q195R187-E191 WeakPolarHBondContact O-CG 3.49Å; R187-E191 PolarHBondContact O-N 2.82Å; E188-E191 PolarHBondContact O-N 2.78Å; E191-W193 VanDerWaalsContact C-N 3.32Å; E191-W193 PolarHBondContact O-N 3.35Å; E191-S194 PolarHBondContact O-N 3.03Å; E191-S194 PolarHBondContact O-OG 2.99Å; E191-Q195 PolarHBondContact O-NE2 3.22Å
192L98.5Very high97.1Very high19 Ų1975.8 Ų75.810%0.09936%0.36CS..Hα-helixtrans-63.3-39.4177.4-67.3173.3000111.5E188 Q195 L196 L301 M304 R305 L308E188-L192 HydrophobicContact CG-CD1 3.98Å; E188-L192 HydrophobicContact CG-CG 4.32Å; E188-L192 WeakPolarHBondContact O-CB 3.26Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.43Å; E188-L192 PolarHBondContact O-N 3.44Å; L192-Q195 PolarHBondContact O-N 2.75Å; L192-L196 VanDerWaalsContact O-CB 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 PolarHBondContact O-N 2.95Å; L192-L301 HydrophobicContact CD1-CB 4.34Å; L192-L301 HydrophobicContact CD1-CD2 3.8Å; L192-M304 HydrophobicContact CB-CB 4.11Å; L192-M304 HydrophobicContact CB-CE 3.65Å; L192-M304 HydrophobicContact CB-SD 4.18Å; L192-M304 HydrophobicContact CD1-CB 3.98Å; L192-M304 HydrophobicContact CD1-SD 4.46Å; L192-R305 HydrophobicContact CD1-CG 3.88Å; L192-R305 HydrophobicContact CD2-CG 3.88Å; L192-L308 HydrophobicContact CB-CD1 4.42Å; L192-L308 HydrophobicContact CD2-CD1 3.63Å
193W98.3Very high97Very high12 Ų1268.8 Ų68.85%0.04533%0.33CS..Hα-helixtrans-65.3-41.2178.7177.3-127.4000112.4V169 L173 Q174 L177 A189 R190 E191 Q195 L196 K197 I200 M304V169-W193 HydrophobicContact CG1-CH2 4.01Å; V169-W193 HydrophobicContact CG1-CZ2 4.05Å; L173-W193 HydrophobicContact CB-CH2 3.43Å; L173-W193 VanDerWaalsContact CB-CH2 3.43Å; L173-W193 HydrophobicContact CB-CZ2 4.06Å; L173-W193 HydrophobicContact CB-CZ3 3.92Å; L173-W193 HydrophobicContact CD1-CH2 3.83Å; L173-W193 HydrophobicContact CD1-CZ3 3.81Å; L173-W193 HydrophobicContact CG-CH2 4.3Å; L173-W193 HydrophobicContact CG-CZ3 4.48Å; Q174-W193 HydrophobicContact CB-CZ2 4.13Å; L177-W193 HydrophobicContact CD1-CB 3.92Å; L177-W193 HydrophobicContact CD1-CD2 3.21Å; L177-W193 HydrophobicContact CD1-CE3 3.54Å; L177-W193 HydrophobicContact CD1-CG 3.39Å; L177-W193 HydrophobicContact CD1-CZ2 4.23Å; L177-W193 HydrophobicContact CD1-CZ3 4.19Å; A189-W193 WeakPolarHBondContact O-CB 3.48Å; A189-W193 PolarHBondContact O-N 3.49Å; R190-W193 PolarHBondContact O-N 3.23Å; E191-W193 VanDerWaalsContact C-N 3.32Å; E191-W193 PolarHBondContact O-N 3.35Å; W193-Q195 PolarHBondContact O-N 3.16Å; W193-L196 HydrophobicContact CE3-CB 4.39Å; W193-L196 PolarHBondContact O-N 2.74Å; W193-K197 HydrophobicContact CD2-CB 4.05Å; W193-K197 HydrophobicContact CE3-CB 4.15Å; W193-K197 HydrophobicContact CH2-CB 3.76Å; W193-K197 HydrophobicContact CZ2-CB 3.68Å; W193-K197 HydrophobicContact CZ3-CB 4Å; W193-K197 WeakPolarHBondContact O-CB 3.12Å; W193-K197 WeakPolarHBondContact O-CG 3.09Å; W193-K197 PolarHBondContact O-N 2.94Å; W193-I200 HydrophobicContact CH2-CD1 3.96Å; W193-I200 HydrophobicContact CZ3-CD1 3.66Å; W193-M304 HydrophobicContact CB-CE 3.74Å; W193-M304 HydrophobicContact CE3-CE 4.48Å; W193-M304 VanDerWaalsContact N-CE 3.28Å
194S97.9Very high97Very high56 Ų5664.6 Ų64.639%0.39231%0.307SS..Hα-helixtrans-57.9-33.5179.773.40000112.8R190 E191R190-S194 PolarHBondContact O-N 3.03Å; E191-S194 PolarHBondContact O-N 3.03Å; E191-S194 PolarHBondContact O-OG 2.99Å
195Q97.9Very high96.7Very high105 Ų10564.3 Ų64.349%0.49132%0.318SS..Hα-helixtrans-81.8-46.3174.6-64173.160.100111.8E191 L192 W193 K197 L198 L308E191-Q195 PolarHBondContact O-NE2 3.22Å; L192-Q195 PolarHBondContact O-N 2.75Å; W193-Q195 PolarHBondContact O-N 3.16Å; Q195-K197 PolarHBondContact O-N 3.14Å; Q195-L198 PolarHBondContact O-N 3.45Å; Q195-L308 HydrophobicContact CB-CD1 4.25Å; Q195-L308 HydrophobicContact CB-CD2 3.76Å
196L97.8Very high96.3Very high0 Ų069.9 Ų69.90%034%0.34CS..Hα-helixtrans-66.4-41.2-172179.859000112L192 W193 L198 K199 I200 M203 L282 M304 L307 L308L192-L196 VanDerWaalsContact O-CB 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 PolarHBondContact O-N 2.95Å; W193-L196 HydrophobicContact CE3-CB 4.39Å; W193-L196 PolarHBondContact O-N 2.74Å; L196-L198 PolarHBondContact O-N 3.1Å; L196-L198 VanDerWaalsContact O-N 3.1Å; L196-K199 PolarHBondContact O-N 3.41Å; L196-I200 HydrophobicContact CD1-CG1 4.31Å; L196-I200 HydrophobicContact CG-CD1 4.16Å; L196-I200 HydrophobicContact CG-CG1 4.24Å; L196-I200 WeakPolarHBondContact O-CG1 3.47Å; L196-I200 PolarHBondContact O-N 3.32Å; L196-M203 HydrophobicContact CD1-CE 4.24Å; L196-L282 HydrophobicContact CD2-CD2 3.55Å; L196-M304 HydrophobicContact CD2-CB 4.4Å; L196-M304 HydrophobicContact CD2-CE 4.5Å; L196-M304 HydrophobicContact CD2-CG 4.23Å; L196-L307 HydrophobicContact CD1-CB 3.7Å; L196-L307 HydrophobicContact CD2-CB 4.4Å; L196-L307 HydrophobicContact CD2-CD1 4.14Å; L196-L308 HydrophobicContact CB-CD2 3.98Å; L196-L308 HydrophobicContact CB-CG 4.4Å; L196-L308 HydrophobicContact CD1-CD2 4.27Å
197K97Very high96.1Very high80 Ų8070.6 Ų70.635%0.34834%0.344SS..Hα-helixtrans-57.5-28.8-17873.1-175-176.7176.30113.5V169 W193 Q195V169-K197 HydrophobicContact CG1-CB 4.36Å; W193-K197 HydrophobicContact CD2-CB 4.05Å; W193-K197 HydrophobicContact CE3-CB 4.15Å; W193-K197 HydrophobicContact CH2-CB 3.76Å; W193-K197 HydrophobicContact CZ2-CB 3.68Å; W193-K197 HydrophobicContact CZ3-CB 4Å; W193-K197 WeakPolarHBondContact O-CB 3.12Å; W193-K197 WeakPolarHBondContact O-CG 3.09Å; W193-K197 PolarHBondContact O-N 2.94Å; Q195-K197 PolarHBondContact O-N 3.14Å
198L95.8Very high95.9Very high127 Ų12769.9 Ų69.967%0.66535%0.349SS*.Hα-helixtrans-76-29.2178.2-59.2176.4000112.4Q195 L196Q195-L198 PolarHBondContact O-N 3.45Å; L196-L198 PolarHBondContact O-N 3.1Å; L196-L198 VanDerWaalsContact O-N 3.1Å
199K95.8Very high95.8Very high86 Ų8668.6 Ų68.637%0.37434%0.343SS..Hα-helixtrans-87.4-19.2-179.8-62.4-168.4179.4-1690113.8L196 E202 L308L196-K199 PolarHBondContact O-N 3.41Å; K199-E202 PolarHBondContact O-N 3.17Å; K199-L308 HydrophobicContact CD-CD2 4.11Å; K199-L308 PolarHBondContact NZ-O 2.68Å
200I96.4Very high95.7Very high0 Ų070.3 Ų70.30%035%0.354CS..THydrogen-bonded Turntrans-58.8-45.2-176.1-73.7170.6000112.8V169 L173 W193 L196 E202 M203 F204 L279V169-I200 HydrophobicContact CG2-CB 3.86Å; V169-I200 HydrophobicContact CG2-CD1 4.02Å; V169-I200 HydrophobicContact CG2-CG2 3.47Å; V169-I200 VanDerWaalsContact CG2-CG2 3.47Å; L173-I200 HydrophobicContact CD1-CD1 3.59Å; W193-I200 HydrophobicContact CH2-CD1 3.96Å; W193-I200 HydrophobicContact CZ3-CD1 3.66Å; L196-I200 HydrophobicContact CD1-CG1 4.31Å; L196-I200 HydrophobicContact CG-CD1 4.16Å; L196-I200 HydrophobicContact CG-CG1 4.24Å; L196-I200 WeakPolarHBondContact O-CG1 3.47Å; L196-I200 PolarHBondContact O-N 3.32Å; I200-E202 PolarHBondContact O-N 2.73Å; I200-M203 WeakPolarHBondContact O-CB 3.11Å; I200-M203 WeakPolarHBondContact O-CG 3.26Å; I200-M203 PolarHBondContact O-N 3.03Å; I200-F204 HydrophobicContact CG2-CD2 4.36Å; I200-F204 HydrophobicContact CG2-CE2 3.8Å; I200-F204 VanDerWaalsContact O-CD2 3.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.37Å; I200-L279 HydrophobicContact CD1-CD1 3.74Å; I200-L279 HydrophobicContact CG1-CD1 3.88Å; I200-L279 HydrophobicContact CG1-CD2 4.11Å; I200-L279 HydrophobicContact CG2-CD2 3.82Å
201P94.8Very high95.7Very high64 Ų6464.7 Ų64.742%0.41633%0.333SS..G310 helixtrans-56.2-36.8-179.8-27.936.7000113.8M203 F204P201-M203 PolarHBondContact O-N 3.36Å; P201-M203 VanDerWaalsContact O-N 3.16Å; P201-F204 PolarHBondContact O-N 3.19Å; P201-F204 VanDerWaalsContact O-N 3.11Å
202E94.5Very high95.8Very high139 Ų13959.2 Ų59.265%0.6531%0.308SS*.G310 helixtrans-63-20.7177.7-59.8173.9-176.200112.8K199 I200 F204 C205K199-E202 PolarHBondContact O-N 3.17Å; I200-E202 PolarHBondContact O-N 2.73Å; E202-F204 PolarHBondContact O-N 3.24Å; E202-C205 PolarHBondContact O-SG 2.93Å; E202-C205 VanDerWaalsContact O-SG 3.38Å
203M95.8Very high95.8Very high16 Ų1658.3 Ų58.38%0.07930%0.304CS..G310 helixtrans-75-7.4178-52.2-166.5-170.100113.5L196 I200 P201 K275 R276 L279 L307L196-M203 HydrophobicContact CD1-CE 4.24Å; I200-M203 WeakPolarHBondContact O-CB 3.11Å; I200-M203 WeakPolarHBondContact O-CG 3.26Å; I200-M203 PolarHBondContact O-N 3.03Å; P201-M203 PolarHBondContact O-N 3.36Å; P201-M203 VanDerWaalsContact O-N 3.16Å; M203-K275 HydrophobicContact CG-CD 4.49Å; M203-K275 HydrophobicContact SD-CD 4.2Å; M203-K275 HydrophobicContact SD-CG 4Å; M203-R276 HydrophobicContact CB-CG 4.33Å; M203-R276 WeakPolarHBondContact O-CD 2.88Å; M203-R276 PolarHBondContact O-NH1 3.48Å; M203-L279 HydrophobicContact SD-CD2 3.99Å; M203-L307 HydrophobicContact CE-CD2 4.43Å
204F96.1Very high95.8Very high8 Ų857.8 Ų57.84%0.03530%0.301CS..G310 helixtrans-123.10.1-173.7-61.6-79.3000113.8W164 P165 I200 P201 E202 D206 I207 I209 H241 R276 L279 Y280W164-F204 AromaticContact CD1-CD1 3.91Å; W164-F204 AromaticContact CD1-CE1 3.65Å; W164-F204 AromaticContact NE1-CE1 3.41Å; W164-F204 AromaticContact NE1-CZ 3.58Å; P165-F204 HydrophobicContact CB-CD2 4.2Å; P165-F204 HydrophobicContact CG-CB 3.77Å; P165-F204 HydrophobicContact CG-CD2 3.86Å; P165-F204 HydrophobicContact CG-CG 3.93Å; I200-F204 HydrophobicContact CG2-CD2 4.36Å; I200-F204 HydrophobicContact CG2-CE2 3.8Å; I200-F204 VanDerWaalsContact O-CD2 3.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.37Å; P201-F204 PolarHBondContact O-N 3.19Å; P201-F204 VanDerWaalsContact O-N 3.11Å; E202-F204 PolarHBondContact O-N 3.24Å; F204-D206 VanDerWaalsContact C-N 3.28Å; F204-D206 PolarHBondContact O-N 3.5Å; F204-I207 HydrophobicContact CD1-CD1 4.03Å; F204-I207 WeakPolarHBondContact O-CG1 3.22Å; F204-I207 PolarHBondContact O-N 2.84Å; F204-I209 HydrophobicContact CB-CD1 4.33Å; F204-I209 HydrophobicContact CD1-CD1 3.51Å; F204-I209 HydrophobicContact CE1-CD1 4.15Å; F204-I209 HydrophobicContact CG-CD1 4.23Å; F204-H241 AromaticContact CE1-ND1 3.96Å; F204-R276 HydrophobicContact CD1-CG 4.49Å; F204-R276 HydrophobicContact CE1-CG 4.07Å; F204-R276 HydrophobicContact CZ-CG 4.36Å; F204-L279 HydrophobicContact CE2-CD2 3.95Å; F204-L279 HydrophobicContact CZ-CD2 4.05Å; F204-Y280 VanDerWaalsContact CE1-OH 3.25Å; F204-Y280 WeakPolarHBondContact CE1-OH 3.13Å; F204-Y280 HydrophobicContact CZ-CE1 4.47Å
205C89.6Confident95.8Very high90 Ų9055.1 Ų55.161%0.60828%0.283SS*.THydrogen-bonded Turntrans-63.6-28.7-170.9610000114.8E202E202-C205 PolarHBondContact O-SG 2.93Å; E202-C205 VanDerWaalsContact O-SG 3.38Å
206D88.5Confident95.8Very high150 Ų15050.1 Ų50.180%0.80226%0.259SS*.THydrogen-bonded Turntrans-10315.3-173-55.7-33.8000113.1F204F204-D206 VanDerWaalsContact C-N 3.28Å; F204-D206 PolarHBondContact O-N 3.5Å
207I93.6Very high95.8Very high34 Ų3451.1 Ų51.117%0.17427%0.265CS..  trans-133.6135.1-178.758.5161.7000111.9F204 I209 A270 R276F204-I207 HydrophobicContact CD1-CD1 4.03Å; F204-I207 WeakPolarHBondContact O-CG1 3.22Å; F204-I207 PolarHBondContact O-N 2.84Å; I207-I209 HydrophobicContact CD1-CD1 4Å; I207-I209 HydrophobicContact CD1-CG1 3.91Å; I207-I209 HydrophobicContact CG1-CD1 4.35Å; I207-I209 HydrophobicContact CG1-CG1 4.15Å; I207-A270 HydrophobicContact CG2-CB 4.09Å; I207-R276 VanDerWaalsContact CD1-CZ 3.5Å
208E92.3Very high95.8Very high180 Ų18047.4 Ų47.484%0.84125%0.249SC*.  trans-80.5131.1165.1-172.9179.817800108.9
209I96.9Very high95.8Very high28 Ų2844.6 Ų44.614%0.14423%0.229CC..  trans-113.6112.4-178.8-58.7174.3000108.1F143 W164 F204 I207 H241F143-I209 HydrophobicContact CE1-CG2 3.77Å; F143-I209 HydrophobicContact CZ-CB 4.28Å; F143-I209 HydrophobicContact CZ-CG2 3.83Å; F143-I209 WeakPolarHBondContact CZ-O 3.49Å; W164-I209 HydrophobicContact CB-CB 4.35Å; W164-I209 HydrophobicContact CB-CD1 3.93Å; W164-I209 HydrophobicContact CB-CG2 4.02Å; W164-I209 HydrophobicContact CG-CD1 3.78Å; W164-I209 HydrophobicContact CG-CG2 4.04Å; F204-I209 HydrophobicContact CB-CD1 4.33Å; F204-I209 HydrophobicContact CD1-CD1 3.51Å; F204-I209 HydrophobicContact CE1-CD1 4.15Å; F204-I209 HydrophobicContact CG-CD1 4.23Å; I207-I209 HydrophobicContact CD1-CD1 4Å; I207-I209 HydrophobicContact CD1-CG1 3.91Å; I207-I209 HydrophobicContact CG1-CD1 4.35Å; I207-I209 HydrophobicContact CG1-CG1 4.15Å; I209-H241 HydrophobicContact CG2-CB 3.68Å
210V96.3Very high95.6Very high39 Ų3941.7 Ų41.724%0.23622%0.221CC..  trans-90.1131.7173.1-175.90000108.7Q115 A212Q115-V210 HydrophobicContact CB-CG1 3.99Å; Q115-V210 HydrophobicContact CG-CG1 4.38Å; V210-A212 PolarHBondContact O-N 2.73Å; V210-A212 VanDerWaalsContact O-N 3.1Å
211P98.4Very high95.5Very high6 Ų643.1 Ų43.14%0.03924%0.237CC..  trans-58.9116175.4-19.228.4000111.2N114 K142 F143 Y239N114-P211 WeakPolarHBondContact CB-O 3.37Å; N114-P211 PolarHBondContact ND2-O 2.85Å; K142-P211 WeakPolarHBondContact O-CB 3.49Å; F143-P211 HydrophobicContact CD1-CB 3.91Å; F143-P211 HydrophobicContact CD1-CG 3.93Å; F143-P211 HydrophobicContact CE1-CB 3.86Å; F143-P211 HydrophobicContact CE1-CG 3.6Å; F143-P211 HydrophobicContact CZ-CG 3.91Å; P211-Y239 HydrophobicContact CB-CD1 4.29Å
212A98.7Very high95.6Very high4 Ų440.5 Ų40.53%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-104.4137175.300000109.3H111 V210 L214 Y239 G240H111-A212 HydrophobicContact CB-CB 3.99Å; H111-A212 WeakPolarHBondContact O-CB 3.42Å; V210-A212 PolarHBondContact O-N 2.73Å; V210-A212 VanDerWaalsContact O-N 3.1Å; A212-L214 HydrophobicContact CB-CD2 4.16Å; A212-L214 PolarHBondContact O-N 2.78Å; A212-Y239 CarbonylContact O-C 3.57Å; A212-Y239 VanDerWaalsContact O-CA 3.26Å; A212-Y239 WeakPolarHBondContact O-CA 2.9Å; A212-G240 PolarHBondContact N-O 3.24Å; A212-G240 PolarHBondContact O-N 3.4Å
213L98.8Very high95.7Very high1 Ų134.4 Ų34.41%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-68.4116.1170.8176.961.3000108.6A61 I62 T65 L110 H111 F145 Y239A61-L213 HydrophobicContact CB-CD1 4.29Å; A61-L213 HydrophobicContact CB-CD2 4.02Å; I62-L213 HydrophobicContact CG1-CD2 4.23Å; T65-L213 HydrophobicContact CG2-CD2 3.89Å; L110-L213 HydrophobicContact CD1-CB 4.49Å; L110-L213 HydrophobicContact CD1-CD2 4.02Å; L110-L213 HydrophobicContact CD1-CG 4.32Å; H111-L213 PolarHBondContact CD2-O 3.24Å; F145-L213 HydrophobicContact CE2-CD1 3.97Å; L213-Y239 HydrophobicContact CB-CD1 4.32Å; L213-Y239 HydrophobicContact CB-CE1 3.91Å; L213-Y239 HydrophobicContact CD1-CE2 4.16Å
214L98.8Very high95.8Very high0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-98.4149.8179.5-51.8-179.3000110.6A212 G216 S237 F238 F244 E245A212-L214 HydrophobicContact CB-CD2 4.16Å; A212-L214 PolarHBondContact O-N 2.78Å; L214-G216 VanDerWaalsContact C-N 3.33Å; L214-S237 VanDerWaalsContact O-CA 3.26Å; L214-S237 WeakPolarHBondContact O-CA 3.45Å; L214-S237 WeakPolarHBondContact O-CB 3.36Å; L214-S237 PolarHBondContact O-OG 3.48Å; L214-F238 HydrophobicContact CD1-CD2 4.46Å; L214-F238 HydrophobicContact CD1-CE1 4.15Å; L214-F238 HydrophobicContact CD1-CE2 3.85Å; L214-F238 HydrophobicContact CD1-CZ 3.67Å; L214-F238 PolarHBondContact N-O 2.86Å; L214-F244 HydrophobicContact CD1-CB 3.95Å; L214-F244 HydrophobicContact CD1-CD1 3.78Å; L214-F244 HydrophobicContact CD1-CG 4.13Å; L214-E245 WeakPolarHBondContact CA-OE2 3.49Å; L214-E245 WeakPolarHBondContact CB-OE2 3.29Å
215H98.7Very high95.8Very high0 Ų033.8 Ų33.80%019%0.189CC..  trans-64.2-41.8160.2177.2-86000110.2D217 L218 I232 F233 P235 A236 S237 E245H215-D217 VanDerWaalsContact C-N 3.3Å; H215-D217 PolarHBondContact CE1-O 3.37Å; H215-D217 VanDerWaalsContact CE1-O 3.29Å; H215-D217 PolarHBondContact ND1-N 3.37Å; H215-D217 PolarHBondContact ND1-O 3.35Å; H215-D217 PolarHBondContact O-N 2.91Å; H215-L218 HydrophobicContact CB-CB 4.17Å; H215-L218 HydrophobicContact CB-CD1 4.17Å; H215-L218 WeakPolarHBondContact ND1-CA 3.29Å; H215-L218 PolarHBondContact ND1-N 3.4Å; H215-I232 HydrophobicContact CB-CD1 4.36Å; H215-F233 PolarHBondContact CE1-O 3.49Å; H215-F233 PolarHBondContact NE2-O 3.49Å; H215-P235 WeakPolarHBondContact NE2-CA 3.29Å; H215-A236 CarbonylContact O-C 3.55Å; H215-A236 VanDerWaalsContact O-C 3.27Å; H215-A236 PolarHBondContact O-N 3.23Å; H215-S237 PolarHBondContact O-N 2.76Å; H215-E245 WeakPolarHBondContact CB-OE1 3.35Å; H215-E245 PolarHBondContact N-OE2 3.34Å
216G97.2Very high96.1Very high0 Ų031 Ų310%017%0.168CC..SBendtrans87.4-11.9169.800000115.3L214 E245L214-G216 VanDerWaalsContact C-N 3.33Å; G216-E245 PolarHBondContact N-OE1 2.87Å
217D96.9Very high96.4Very high22 Ų2230.3 Ų30.312%0.11816%0.164CC..  trans-147.745.8174.1-166.629.5000111.5H215 W219 N222 A236 I248H215-D217 VanDerWaalsContact C-N 3.3Å; H215-D217 PolarHBondContact CE1-O 3.37Å; H215-D217 VanDerWaalsContact CE1-O 3.29Å; H215-D217 PolarHBondContact ND1-N 3.37Å; H215-D217 PolarHBondContact ND1-O 3.35Å; H215-D217 PolarHBondContact O-N 2.91Å; D217-W219 VanDerWaalsContact C-N 3.34Å; D217-W219 PolarHBondContact O-N 3.07Å; D217-N222 PolarHBondContact O-ND2 3.32Å; D217-N222 PolarHBondContact OD2-ND2 3.42Å; D217-N222 VanDerWaalsContact OD2-ND2 3.08Å; D217-A236 HydrophobicContact CB-CB 4.18Å; D217-I248 WeakPolarHBondContact OD1-CD1 3.37Å
218L97.3Very high96.5Very high1 Ų132.3 Ų32.31%0.00518%0.181CC..  trans-82.368.6-170.8-167.174.2000113.4I107 H215 V223 I232 E245 A249 F255 F259I107-L218 HydrophobicContact CD1-CD1 4.34Å; I107-L218 HydrophobicContact CD1-CD2 3.86Å; I107-L218 HydrophobicContact CG1-CD2 3.93Å; I107-L218 HydrophobicContact CG2-CD2 4.12Å; H215-L218 HydrophobicContact CB-CB 4.17Å; H215-L218 HydrophobicContact CB-CD1 4.17Å; H215-L218 WeakPolarHBondContact ND1-CA 3.29Å; H215-L218 PolarHBondContact ND1-N 3.4Å; L218-V223 HydrophobicContact CD1-CG1 3.68Å; L218-V223 HydrophobicContact CG-CG1 4.28Å; L218-I232 HydrophobicContact CD1-CB 4.12Å; L218-I232 HydrophobicContact CD1-CG2 3.78Å; L218-E245 HydrophobicContact CB-CG 3.82Å; L218-E245 VanDerWaalsContact CB-OE1 3.26Å; L218-E245 WeakPolarHBondContact CB-OE1 3.37Å; L218-E245 HydrophobicContact CD2-CG 3.71Å; L218-E245 HydrophobicContact CG-CG 4.42Å; L218-A249 WeakPolarHBondContact O-CA 3.26Å; L218-A249 PolarHBondContact O-N 3.38Å; L218-F255 HydrophobicContact CD2-CZ 4.5Å; L218-F255 HydrophobicContact CG-CZ 4.05Å; L218-F255 WeakPolarHBondContact O-CE2 3.47Å; L218-F255 WeakPolarHBondContact O-CZ 3.38Å; L218-F259 HydrophobicContact CD2-CZ 4.39Å
219W95.5Very high96.8Very high68 Ų6823.9 Ų23.926%0.25814%0.143SC..SBendtrans-103173.5173.974.3-71.9000111.9Y24 D217 G221 N222 I248 F252Y24-W219 HydrophobicContact CE2-CH2 4.18Å; D217-W219 VanDerWaalsContact C-N 3.34Å; D217-W219 PolarHBondContact O-N 3.07Å; W219-G221 PolarHBondContact O-N 2.99Å; W219-N222 VanDerWaalsContact CD1-ND2 3.33Å; W219-N222 PolarHBondContact NE1-ND2 2.81Å; W219-N222 VanDerWaalsContact NE1-ND2 3.18Å; W219-N222 PolarHBondContact NE1-OD1 3.03Å; W219-N222 PolarHBondContact O-N 3.49Å; W219-I248 HydrophobicContact CB-CD1 4.07Å; W219-I248 HydrophobicContact CB-CG1 4.05Å; W219-I248 HydrophobicContact CG-CD1 4.5Å; W219-F252 HydrophobicContact CB-CD2 4.42Å
220A93.5Very high96.8Very high25 Ų2522.6 Ų22.621%0.20714%0.136CC..G310 helixtrans-57.3-26.6-174.300000114.3N222A220-N222 VanDerWaalsContact C-N 3.28Å; A220-N222 PolarHBondContact O-N 2.9Å
221G93.1Very high96.9Very high31 Ų3120.8 Ų20.832%0.3213%0.125SC..G310 helixtrans-75.2-13.3176.400000114.7W219 F233W219-G221 PolarHBondContact O-N 2.99Å; G221-F233 WeakPolarHBondContact O-CE2 3.5Å; G221-F233 WeakPolarHBondContact O-CZ 3.47Å
222N96.6Very high96.9Very high9 Ų920.5 Ų20.55%0.04812%0.123CC..G310 helixtrans-113.516.9-174.9-74.7-3.5000112.5D217 W219 A220 I232 F233D217-N222 PolarHBondContact O-ND2 3.32Å; D217-N222 PolarHBondContact OD2-ND2 3.42Å; D217-N222 VanDerWaalsContact OD2-ND2 3.08Å; W219-N222 VanDerWaalsContact CD1-ND2 3.33Å; W219-N222 PolarHBondContact NE1-ND2 2.81Å; W219-N222 VanDerWaalsContact NE1-ND2 3.18Å; W219-N222 PolarHBondContact NE1-OD1 3.03Å; W219-N222 PolarHBondContact O-N 3.49Å; A220-N222 VanDerWaalsContact C-N 3.28Å; A220-N222 PolarHBondContact O-N 2.9Å; N222-I232 WeakPolarHBondContact O-CA 3.45Å; N222-F233 VanDerWaalsContact CB-O 3.26Å; N222-F233 WeakPolarHBondContact CB-O 3.38Å; N222-F233 PolarHBondContact O-N 3.49Å; N222-F233 VanDerWaalsContact O-N 3.1Å
223V97.3Very high96.9Very high10 Ų1022 Ų226%0.06113%0.129CC..EExtended strand (participates in β ladder)trans-132.2144.6177.2-57.40000111.1L96 L103 L218 I231 I232 F255L96-V223 HydrophobicContact CB-CG2 4.26Å; L96-V223 HydrophobicContact CD2-CB 4.37Å; L96-V223 HydrophobicContact CD2-CG2 3.99Å; L103-V223 HydrophobicContact CD2-CB 4.2Å; L103-V223 HydrophobicContact CD2-CG1 4.01Å; L218-V223 HydrophobicContact CD1-CG1 3.68Å; L218-V223 HydrophobicContact CG-CG1 4.28Å; V223-I231 WeakPolarHBondContact CA-O 3.5Å; V223-I232 HydrophobicContact CG1-CG2 4.1Å; V223-F255 HydrophobicContact CG1-CE1 4.16Å; V223-F255 HydrophobicContact CG1-CZ 3.67Å; V223-F255 HydrophobicContact CG2-CE1 4.5Å; V223-F255 HydrophobicContact CG2-CZ 4.05Å
224A97.2Very high96.8Very high4 Ų424.5 Ų24.53%0.03314%0.142CC..EExtended strand (participates in β ladder)trans-149.4-177.6177.100000110.1M93 K94 P230 I231 F233M93-A224 HydrophobicContact CB-CB 3.76Å; M93-A224 HydrophobicContact CG-CB 3.93Å; M93-A224 HydrophobicContact SD-CB 3.76Å; K94-A224 WeakPolarHBondContact O-CA 3.49Å; K94-A224 WeakPolarHBondContact O-CB 3.35Å; A224-P230 CarbonylContact O-C 3.48Å; A224-P230 WeakPolarHBondContact O-CA 3.4Å; A224-I231 PolarHBondContact N-O 2.82Å; A224-I231 PolarHBondContact O-N 2.76Å; A224-F233 HydrophobicContact CB-CE1 3.75Å
225E97.3Very high96.8Very high8 Ų824.8 Ų24.84%0.03714%0.144CC..EExtended strand (participates in β ladder)trans-138.3161.2164.263.4-175.9-144.900111K94 L96 N97 K98 Y99 G229K94-E225 HydrophobicContact CD-CG 4.32Å; K94-E225 WeakPolarHBondContact CE-OE1 3.42Å; K94-E225 HydrophobicContact CG-CG 3.66Å; K94-E225 WeakPolarHBondContact CG-O 3.33Å; K94-E225 PolarHBondContact N-O 2.78Å; K94-E225 PolarHBondContact O-N 3.26Å; L96-E225 HydrophobicContact CD1-CB 4.19Å; N97-E225 VanDerWaalsContact N-CD 3.34Å; N97-E225 PolarHBondContact N-OE2 3.32Å; K98-E225 PolarHBondContact N-OE1 3.28Å; K98-E225 PolarHBondContact N-OE2 3.2Å; Y99-E225 HydrophobicContact CD2-CB 3.85Å; Y99-E225 HydrophobicContact CD2-CG 4.27Å; Y99-E225 WeakPolarHBondContact CD2-OE2 3.26Å; Y99-E225 PolarHBondContact N-OE2 2.96Å; E225-G229 CarbonylContact C-O 3.58Å; E225-G229 VanDerWaalsContact CA-O 3.24Å; E225-G229 WeakPolarHBondContact CA-O 3.26Å; E225-G229 WeakPolarHBondContact CB-O 3.38Å
226D96.1Very high96.7Very high32 Ų3224.8 Ų24.817%0.17115%0.145CC..  trans-122.4-158.9161.869.47.9000109.2Y99 S228 G229 I231Y99-D226 WeakPolarHBondContact CE2-O 3.35Å; D226-S228 VanDerWaalsContact C-N 3.29Å; D226-S228 WeakPolarHBondContact OD1-CA 3.21Å; D226-S228 VanDerWaalsContact OD1-CB 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.36Å; D226-S228 PolarHBondContact OD1-N 2.87Å; D226-S228 PolarHBondContact OD1-OG 3.03Å; D226-S228 PolarHBondContact OD2-OG 3.48Å; D226-G229 PolarHBondContact N-O 3.26Å; D226-G229 PolarHBondContact OD1-N 3.18Å; D226-I231 HydrophobicContact CB-CD1 3.85Å
227D94.9Very high96.8Very high134 Ų13424.8 Ų24.872%0.71715%0.145SC*.SBendtrans-75.2-20.9178.8-63.8-28.3000112.8K94 Y99K94-D227 IonicContact NZ-OD1 3.99Å; K94-D227 PolarHBondContact NZ-OD1 3.4Å; Y99-D227 PolarHBondContact OH-O 2.93Å
228S95.3Very high96.9Very high76 Ų7623.8 Ų23.853%0.53114%0.139SC..SBendtrans-86.8-28.7-179.279.50000113.9K102 D226K102-S228 PolarHBondContact NZ-O 2.84Å; D226-S228 VanDerWaalsContact C-N 3.29Å; D226-S228 WeakPolarHBondContact OD1-CA 3.21Å; D226-S228 VanDerWaalsContact OD1-CB 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.36Å; D226-S228 PolarHBondContact OD1-N 2.87Å; D226-S228 PolarHBondContact OD1-OG 3.03Å; D226-S228 PolarHBondContact OD2-OG 3.48Å
229G97.4Very high96.9Very high3 Ų325.1 Ų25.13%0.03114%0.144CC..  trans159.8-165.3179.200000114.4E225 D226E225-G229 CarbonylContact C-O 3.58Å; E225-G229 VanDerWaalsContact CA-O 3.24Å; E225-G229 WeakPolarHBondContact CA-O 3.26Å; E225-G229 WeakPolarHBondContact CB-O 3.38Å; D226-G229 PolarHBondContact N-O 3.26Å; D226-G229 PolarHBondContact OD1-N 3.18Å
230P98.1Very high97.1Very high2 Ų221.9 Ų21.91%0.01313%0.132CC..EExtended strand (participates in β ladder)trans-78.2150.2178.737.5-36.2000110.4R69 L96 K102 L103 A224R69-P230 WeakPolarHBondContact CB-O 3.45Å; L96-P230 HydrophobicContact CD1-CB 3.81Å; K102-P230 HydrophobicContact CG-CG 4.35Å; L103-P230 HydrophobicContact CB-CB 3.74Å; L103-P230 HydrophobicContact CB-CG 3.92Å; L103-P230 HydrophobicContact CD1-CB 3.96Å; L103-P230 HydrophobicContact CD1-CG 4.17Å; L103-P230 HydrophobicContact CG-CB 4.27Å; A224-P230 CarbonylContact O-C 3.48Å; A224-P230 WeakPolarHBondContact O-CA 3.4Å
231I98.5Very high97.3Very high0 Ų021.3 Ų21.30%013%0.125CC..EExtended strand (participates in β ladder)trans-128.8137.8-179.1-59.2161000107.4R69 L91 M93 V223 A224 D226R69-I231 HydrophobicContact CB-CG1 4.17Å; R69-I231 HydrophobicContact CG-CG1 3.89Å; R69-I231 HydrophobicContact CG-CG2 4.45Å; R69-I231 WeakPolarHBondContact O-CA 3.42Å; L91-I231 HydrophobicContact CB-CD1 4.43Å; L91-I231 HydrophobicContact CD1-CD1 4.06Å; L91-I231 HydrophobicContact CD1-CG1 4.47Å; L91-I231 HydrophobicContact CD1-CG2 3.83Å; M93-I231 HydrophobicContact CE-CG2 3.86Å; M93-I231 HydrophobicContact CG-CD1 4.07Å; V223-I231 WeakPolarHBondContact CA-O 3.5Å; A224-I231 PolarHBondContact N-O 2.82Å; A224-I231 PolarHBondContact O-N 2.76Å; D226-I231 HydrophobicContact CB-CD1 3.85Å
232I98.4Very high97.6Very high0 Ų020.7 Ų20.70%012%0.116CC..EExtended strand (participates in β ladder)trans-116.9147.8169.871.2-177000109.5I62 V68 R69 V70 P71 L103 I107 H215 L218 N222 V223I62-I232 HydrophobicContact CD1-CD1 4.36Å; I62-I232 HydrophobicContact CG2-CD1 4.39Å; V68-I232 HydrophobicContact CB-CD1 4.44Å; V68-I232 HydrophobicContact CG1-CD1 3.49Å; V68-I232 VanDerWaalsContact CG1-CD1 3.49Å; V68-I232 HydrophobicContact CG1-CG1 4.13Å; V68-I232 HydrophobicContact CG2-CD1 4.11Å; V68-I232 HydrophobicContact CG2-CG1 4.21Å; V68-I232 HydrophobicContact CG2-CG2 4.06Å; R69-I232 PolarHBondContact O-N 3.28Å; V70-I232 WeakPolarHBondContact CA-O 3.39Å; V70-I232 HydrophobicContact CG1-CD1 4.28Å; V70-I232 HydrophobicContact CG1-CG1 3.59Å; P71-I232 WeakPolarHBondContact CD-O 3.37Å; L103-I232 HydrophobicContact CD1-CG2 3.65Å; I107-I232 HydrophobicContact CD1-CD1 3.93Å; I107-I232 HydrophobicContact CD1-CG2 4.31Å; H215-I232 HydrophobicContact CB-CD1 4.36Å; L218-I232 HydrophobicContact CD1-CB 4.12Å; L218-I232 HydrophobicContact CD1-CG2 3.78Å; N222-I232 WeakPolarHBondContact O-CA 3.45Å; V223-I232 HydrophobicContact CG1-CG2 4.1Å
233F97.8Very high97.7Very high36 Ų3620.8 Ų20.816%0.15812%0.116CC..  trans-152.9166.2-17555.3-89.5000110.6P71 M93 H215 G221 N222 A224P71-F233 HydrophobicContact CG-CB 4.01Å; M93-F233 HydrophobicContact CE-CD1 4.02Å; M93-F233 HydrophobicContact CE-CG 4.44Å; M93-F233 HydrophobicContact SD-CD1 3.79Å; M93-F233 HydrophobicContact SD-CE1 3.75Å; M93-F233 HydrophobicContact SD-CZ 4.48Å; H215-F233 PolarHBondContact CE1-O 3.49Å; H215-F233 PolarHBondContact NE2-O 3.49Å; G221-F233 WeakPolarHBondContact O-CE2 3.5Å; G221-F233 WeakPolarHBondContact O-CZ 3.47Å; N222-F233 VanDerWaalsContact CB-O 3.26Å; N222-F233 WeakPolarHBondContact CB-O 3.38Å; N222-F233 PolarHBondContact O-N 3.49Å; N222-F233 VanDerWaalsContact O-N 3.1Å; A224-F233 HydrophobicContact CB-CE1 3.75Å
234D96.7Very high97.7Very high53 Ų5320.3 Ų20.328%0.28311%0.113SC..SBendtrans60.148.3-176.4-60.418.4000113.8K41K41-D234 WeakPolarHBondContact CE-OD1 3.13Å; K41-D234 IonicContact NZ-OD1 3.15Å; K41-D234 PolarHBondContact NZ-OD1 3.05Å; K41-D234 IonicContact NZ-OD2 2.82Å; K41-D234 PolarHBondContact NZ-OD2 3.16Å
235P98Very high97.8Very high6 Ų620.1 Ų20.14%0.03911%0.111CC..  trans-72150.2-17931.8-37.7000113.3E55 S58 L59 I62 H215E55-P235 HydrophobicContact CG-CG 4.5Å; S58-P235 VanDerWaalsContact CB-CG 3.45Å; L59-P235 HydrophobicContact CD2-CG 3.81Å; L59-P235 HydrophobicContact CG-CG 3.79Å; I62-P235 HydrophobicContact CD1-CB 3.9Å; I62-P235 HydrophobicContact CD1-CG 4.31Å; H215-P235 WeakPolarHBondContact NE2-CA 3.29Å
236A97.8Very high97.8Very high1 Ų119.9 Ų19.91%0.00811%0.111CC..  trans-119.852.517100000109.6C150 C151 Q156 H215 D217C150-A236 WeakPolarHBondContact O-CB 3.46Å; C151-A236 HydrophobicContact CB-CB 4.31Å; Q156-A236 PolarHBondContact NE2-O 3.21Å; H215-A236 CarbonylContact O-C 3.55Å; H215-A236 VanDerWaalsContact O-C 3.27Å; H215-A236 PolarHBondContact O-N 3.23Å; D217-A236 HydrophobicContact CB-CB 4.18Å
237S98.6Very high97.8Very high0 Ų018.4 Ų18.40%010%0.103CC..  trans-65.5151.4-161.7-68.80000114.7S58 T149 L214 H215S58-S237 WeakPolarHBondContact CB-OG 3.46Å; S58-S237 WeakPolarHBondContact OG-CB 3.25Å; S58-S237 PolarHBondContact OG-N 3.21Å; S58-S237 VanDerWaalsContact OG-N 3.14Å; T149-S237 WeakPolarHBondContact CG2-O 3.14Å; T149-S237 PolarHBondContact OG1-O 3.15Å; L214-S237 VanDerWaalsContact O-CA 3.26Å; L214-S237 WeakPolarHBondContact O-CA 3.45Å; L214-S237 WeakPolarHBondContact O-CB 3.36Å; L214-S237 PolarHBondContact O-OG 3.48Å; H215-S237 PolarHBondContact O-N 2.76Å
238F98.8Very high97.9Very high0 Ų012.1 Ų12.10%07%0.069CC..EExtended strand (participates in β ladder)trans-162.7164165.862.9-78.2000109F145 W164 F167 R172 L214 F244F145-F238 HydrophobicContact CB-CB 4.08Å; W164-F238 AromaticContact CH2-CE2 3.98Å; W164-F238 HydrophobicContact CH2-CE2 3.98Å; W164-F238 AromaticContact CZ3-CE2 3.97Å; W164-F238 HydrophobicContact CZ3-CE2 3.97Å; F167-F238 AromaticContact CE1-CD2 3.86Å; F167-F238 HydrophobicContact CE1-CD2 3.86Å; F167-F238 AromaticContact CE1-CE2 3.9Å; F167-F238 HydrophobicContact CE1-CE2 3.9Å; F167-F238 HydrophobicContact CZ-CD2 4.13Å; R172-F238 VanDerWaalsContact NH2-CD1 3.33Å; R172-F238 VanDerWaalsContact NH2-CD2 3.28Å; L214-F238 HydrophobicContact CD1-CD2 4.46Å; L214-F238 HydrophobicContact CD1-CE1 4.15Å; L214-F238 HydrophobicContact CD1-CE2 3.85Å; L214-F238 HydrophobicContact CD1-CZ 3.67Å; L214-F238 PolarHBondContact N-O 2.86Å; F238-F244 HydrophobicContact CE1-CD1 4.36Å; F238-F244 AromaticContact CE1-CE1 3.92Å; F238-F244 HydrophobicContact CE1-CE1 3.92Å; F238-F244 HydrophobicContact CE1-CZ 4.26Å; F238-F244 AromaticContact CZ-CD1 3.94Å; F238-F244 HydrophobicContact CZ-CD1 3.94Å; F238-F244 HydrophobicContact CZ-CD2 4.43Å; F238-F244 AromaticContact CZ-CE1 3.81Å; F238-F244 HydrophobicContact CZ-CE1 3.81Å; F238-F244 HydrophobicContact CZ-CE2 4.32Å; F238-F244 HydrophobicContact CZ-CG 4.26Å; F238-F244 HydrophobicContact CZ-CZ 4Å
239Y98.8Very high97.9Very high29 Ų298.6 Ų8.611%0.1144%0.044CC..EExtended strand (participates in β ladder)trans-82.1118168.3-72.9-93.6000109.5N114 V140 F143 G144 F145 W160 P211 A212 L213N114-Y239 HydrophobicContact CB-CE1 4.17Å; V140-Y239 HydrophobicContact CB-CD1 3.93Å; V140-Y239 HydrophobicContact CB-CD2 4.46Å; V140-Y239 HydrophobicContact CB-CE1 3.82Å; V140-Y239 HydrophobicContact CB-CE2 4.37Å; V140-Y239 HydrophobicContact CB-CG 4.25Å; V140-Y239 HydrophobicContact CG1-CD1 3.99Å; V140-Y239 HydrophobicContact CG1-CD2 4Å; V140-Y239 HydrophobicContact CG1-CE1 4.3Å; V140-Y239 HydrophobicContact CG1-CE2 4.32Å; V140-Y239 HydrophobicContact CG1-CG 3.82Å; V140-Y239 HydrophobicContact CG2-CD1 4.37Å; V140-Y239 HydrophobicContact CG2-CD2 4.37Å; V140-Y239 HydrophobicContact CG2-CE1 3.84Å; V140-Y239 HydrophobicContact CG2-CE2 3.86Å; F143-Y239 VanDerWaalsContact CA-O 3.28Å; F143-Y239 WeakPolarHBondContact CA-O 3.31Å; G144-Y239 PolarHBondContact N-O 3.19Å; G144-Y239 PolarHBondContact O-N 3.11Å; F145-Y239 HydrophobicContact CD2-CD2 4.06Å; F145-Y239 HydrophobicContact CD2-CE2 4.22Å; F145-Y239 HydrophobicContact CE2-CD2 4.49Å; F145-Y239 HydrophobicContact CE2-CE2 4.24Å; W160-Y239 AromaticContact CH2-CD2 3.9Å; W160-Y239 HydrophobicContact CH2-CD2 3.9Å; W160-Y239 HydrophobicContact CH2-CE2 4.42Å; W160-Y239 HydrophobicContact CZ3-CD2 4.16Å; P211-Y239 HydrophobicContact CB-CD1 4.29Å; A212-Y239 CarbonylContact O-C 3.57Å; A212-Y239 VanDerWaalsContact O-CA 3.26Å; A212-Y239 WeakPolarHBondContact O-CA 2.9Å; L213-Y239 HydrophobicContact CB-CD1 4.32Å; L213-Y239 HydrophobicContact CB-CE1 3.91Å; L213-Y239 HydrophobicContact CD1-CE2 4.16Å
240G98.6Very high97.7Very high0 Ų010.4 Ų10.40%06%0.063CC..EExtended strand (participates in β ladder)trans-148.5-173.9-174.600000113.1A212A212-G240 PolarHBondContact N-O 3.24Å; A212-G240 PolarHBondContact O-N 3.4Å
241H98.7Very high97.3Very high13 Ų1311.6 Ų11.66%0.067%0.069CC..  trans-71.3128.2170.1-174.4-160.8000110.3W164 F204 I209 E243 F244 Y280W164-H241 HydrophobicContact CD2-CB 3.77Å; W164-H241 HydrophobicContact CE3-CB 4.37Å; W164-H241 HydrophobicContact CG-CB 4.21Å; W164-H241 HydrophobicContact CH2-CB 4.14Å; W164-H241 HydrophobicContact CZ2-CB 3.51Å; W164-H241 VanDerWaalsContact CZ3-N 3.35Å; F204-H241 AromaticContact CE1-ND1 3.96Å; I209-H241 HydrophobicContact CG2-CB 3.68Å; H241-E243 IonicContact CE1-OE1 3.02Å; H241-E243 IonicContact CE1-OE2 2.58Å; H241-E243 PolarHBondContact CE1-OE2 3.11Å; H241-E243 VanDerWaalsContact CE1-OE2 3.24Å; H241-E243 IonicContact ND1-OE2 2.77Å; H241-E243 IonicContact NE2-OE1 3.19Å; H241-E243 PolarHBondContact O-N 3.29Å; H241-E243 VanDerWaalsContact O-N 3.15Å; H241-F244 WeakPolarHBondContact O-CB 3.46Å; H241-F244 PolarHBondContact O-N 3.2Å; H241-Y280 WeakPolarHBondContact CB-OH 3.47Å; H241-Y280 AromaticContact ND1-CE2 3.89Å; H241-Y280 AromaticContact ND1-CZ 3.74Å; H241-Y280 PolarHBondContact ND1-OH 2.83Å
242S98.5Very high96.7Very high18 Ų1815.2 Ų15.213%0.1269%0.085CC..THydrogen-bonded Turntrans-56.2-31-177.3620000114.4F244 E245S242-F244 PolarHBondContact O-N 3.31Å; S242-E245 PolarHBondContact O-N 3.38Å
243E98.5Very high96.1Very high11 Ų1117.2 Ų17.25%0.05111%0.105CC..Hα-helixtrans-63.5-21.1176.1-68-176.5179.500113.5H241 E245 L246 F273 R276 Y280H241-E243 IonicContact CE1-OE1 3.02Å; H241-E243 IonicContact CE1-OE2 2.58Å; H241-E243 PolarHBondContact CE1-OE2 3.11Å; H241-E243 VanDerWaalsContact CE1-OE2 3.24Å; H241-E243 IonicContact ND1-OE2 2.77Å; H241-E243 IonicContact NE2-OE1 3.19Å; H241-E243 PolarHBondContact O-N 3.29Å; H241-E243 VanDerWaalsContact O-N 3.15Å; E243-E245 VanDerWaalsContact C-N 3.31Å; E243-E245 PolarHBondContact O-N 3.39Å; E243-L246 PolarHBondContact O-N 3.35Å; E243-F273 HydrophobicContact CB-CE2 4.34Å; E243-F273 HydrophobicContact CG-CD2 3.82Å; E243-F273 HydrophobicContact CG-CE2 3.93Å; E243-F273 WeakPolarHBondContact OE1-CD2 3.24Å; E243-R276 IonicContact OE1-CZ 2.66Å; E243-R276 IonicContact OE1-NE 3.87Å; E243-R276 IonicContact OE1-NH2 3.1Å; E243-R276 PolarHBondContact OE1-NH2 2.96Å; E243-R276 WeakPolarHBondContact OE2-CB 3.04Å; E243-R276 IonicContact OE2-CZ 2.87Å; E243-R276 IonicContact OE2-NE 3.08Å; E243-R276 PolarHBondContact OE2-NE 3.03Å; E243-R276 IonicContact OE2-NH2 2.88Å; E243-R276 PolarHBondContact OE2-NH2 3.4Å; E243-Y280 HydrophobicContact CB-CD2 4.2Å; E243-Y280 HydrophobicContact CB-CE2 3.7Å
244F98.5Very high95.6Very high0 Ų017.5 Ų17.50%012%0.119CC..Hα-helixtrans-58.3-42.9178.4174.8-85.5000112.1F168 L214 F238 H241 S242 L246 A247 Y280 F283F168-F244 HydrophobicContact CD2-CD2 4.41Å; F168-F244 AromaticContact CE2-CD2 3.88Å; F168-F244 HydrophobicContact CE2-CD2 3.88Å; F168-F244 AromaticContact CE2-CE2 3.89Å; F168-F244 HydrophobicContact CE2-CE2 3.89Å; L214-F244 HydrophobicContact CD1-CB 3.95Å; L214-F244 HydrophobicContact CD1-CD1 3.78Å; L214-F244 HydrophobicContact CD1-CG 4.13Å; F238-F244 HydrophobicContact CE1-CD1 4.36Å; F238-F244 AromaticContact CE1-CE1 3.92Å; F238-F244 HydrophobicContact CE1-CE1 3.92Å; F238-F244 HydrophobicContact CE1-CZ 4.26Å; F238-F244 AromaticContact CZ-CD1 3.94Å; F238-F244 HydrophobicContact CZ-CD1 3.94Å; F238-F244 HydrophobicContact CZ-CD2 4.43Å; F238-F244 AromaticContact CZ-CE1 3.81Å; F238-F244 HydrophobicContact CZ-CE1 3.81Å; F238-F244 HydrophobicContact CZ-CE2 4.32Å; F238-F244 HydrophobicContact CZ-CG 4.26Å; F238-F244 HydrophobicContact CZ-CZ 4Å; H241-F244 WeakPolarHBondContact O-CB 3.46Å; H241-F244 PolarHBondContact O-N 3.2Å; S242-F244 PolarHBondContact O-N 3.31Å; F244-L246 VanDerWaalsContact C-N 3.3Å; F244-L246 PolarHBondContact O-N 3.4Å; F244-A247 WeakPolarHBondContact O-CB 3.27Å; F244-A247 PolarHBondContact O-N 3.17Å; F244-Y280 HydrophobicContact CB-CD1 4.13Å; F244-Y280 HydrophobicContact CB-CE1 4.2Å; F244-Y280 HydrophobicContact CB-CG 4.31Å; F244-Y280 AromaticContact CD2-CD1 3.6Å; F244-Y280 HydrophobicContact CD2-CD1 3.6Å; F244-Y280 HydrophobicContact CD2-CE1 4.06Å; F244-Y280 HydrophobicContact CD2-CG 4.25Å; F244-Y280 HydrophobicContact CG-CD1 4.3Å; F244-F283 HydrophobicContact CE2-CB 4.43Å; F244-F283 AromaticContact CE2-CD1 3.61Å; F244-F283 HydrophobicContact CE2-CD1 3.61Å; F244-F283 HydrophobicContact CE2-CE1 4.03Å; F244-F283 AromaticContact CE2-CG 3.99Å; F244-F283 HydrophobicContact CE2-CG 3.99Å; F244-F283 AromaticContact CZ-CD1 3.52Å; F244-F283 HydrophobicContact CZ-CD1 3.52Å; F244-F283 AromaticContact CZ-CE1 3.54Å; F244-F283 HydrophobicContact CZ-CE1 3.54Å; F244-F283 HydrophobicContact CZ-CG 4.33Å; F244-F283 HydrophobicContact CZ-CZ 4.33Å
245E97.7Very high95.4Very high0 Ų016 Ų160%011%0.109CC..Hα-helixtrans-61.9-38.1-177.2-162.890.8-100.500112.1H111 L214 H215 G216 L218 S242 E243 A247 I248 A249H111-E245 IonicContact CE1-OE2 3.68Å; H111-E245 IonicContact NE2-OE2 2.72Å; H111-E245 PolarHBondContact NE2-OE2 2.95Å; L214-E245 WeakPolarHBondContact CA-OE2 3.49Å; L214-E245 WeakPolarHBondContact CB-OE2 3.29Å; H215-E245 WeakPolarHBondContact CB-OE1 3.35Å; H215-E245 PolarHBondContact N-OE2 3.34Å; G216-E245 PolarHBondContact N-OE1 2.87Å; L218-E245 HydrophobicContact CB-CG 3.82Å; L218-E245 VanDerWaalsContact CB-OE1 3.26Å; L218-E245 WeakPolarHBondContact CB-OE1 3.37Å; L218-E245 HydrophobicContact CD2-CG 3.71Å; L218-E245 HydrophobicContact CG-CG 4.42Å; S242-E245 PolarHBondContact O-N 3.38Å; E243-E245 VanDerWaalsContact C-N 3.31Å; E243-E245 PolarHBondContact O-N 3.39Å; E245-A247 PolarHBondContact O-N 3.12Å; E245-I248 PolarHBondContact O-N 2.85Å; E245-A249 PolarHBondContact O-N 3.16Å
246L97.9Very high95.2Very high4 Ų417.9 Ų17.92%0.02112%0.123CC..Hα-helixtrans-67.9-23.5-174.5-59.5-177.3000112.6E243 F244 G250 F259 Y263 F273E243-L246 PolarHBondContact O-N 3.35Å; F244-L246 VanDerWaalsContact C-N 3.3Å; F244-L246 PolarHBondContact O-N 3.4Å; L246-G250 PolarHBondContact O-N 2.97Å; L246-G250 VanDerWaalsContact O-N 3.11Å; L246-F259 HydrophobicContact CD2-CE1 4.32Å; L246-Y263 HydrophobicContact CD1-CD1 3.96Å; L246-Y263 HydrophobicContact CD1-CE1 3.57Å; L246-Y263 HydrophobicContact CD2-CD1 3.96Å; L246-Y263 HydrophobicContact CD2-CD2 4.16Å; L246-Y263 HydrophobicContact CD2-CE1 3.94Å; L246-Y263 HydrophobicContact CD2-CE2 4.12Å; L246-Y263 HydrophobicContact CD2-CG 4.09Å; L246-Y263 HydrophobicContact CG-CE1 4.15Å; L246-F273 HydrophobicContact CD1-CE2 3.78Å; L246-F273 HydrophobicContact CD1-CZ 3.9Å
247A97.1Very high95.1Very high0 Ų022.4 Ų22.40%015%0.154CC..Hα-helixtrans-65.2-52.6-179.900000111.6F244 E245 G250 M251 N277 Q281F244-A247 WeakPolarHBondContact O-CB 3.27Å; F244-A247 PolarHBondContact O-N 3.17Å; E245-A247 PolarHBondContact O-N 3.12Å; A247-G250 PolarHBondContact O-N 3.23Å; A247-M251 VanDerWaalsContact O-CG 3.24Å; A247-M251 WeakPolarHBondContact O-CG 3.36Å; A247-M251 PolarHBondContact O-N 3.18Å; A247-N277 VanDerWaalsContact CA-OD1 3.28Å; A247-N277 WeakPolarHBondContact CA-OD1 3.46Å; A247-N277 PolarHBondContact N-OD1 2.91Å; A247-Q281 HydrophobicContact CB-CG 3.88Å
248I96.1Very high95Very high2 Ų224.5 Ų24.51%0.0117%0.169CC..Hα-helixtrans-69.8-36-179.2-158.7-177.3000111.5D217 W219 E245 G250 M251 F252 N284D217-I248 WeakPolarHBondContact OD1-CD1 3.37Å; W219-I248 HydrophobicContact CB-CD1 4.07Å; W219-I248 HydrophobicContact CB-CG1 4.05Å; W219-I248 HydrophobicContact CG-CD1 4.5Å; E245-I248 PolarHBondContact O-N 2.85Å; I248-G250 PolarHBondContact O-N 3.36Å; I248-M251 PolarHBondContact O-N 3.33Å; I248-M251 VanDerWaalsContact O-N 3.12Å; I248-F252 HydrophobicContact CG1-CE2 4.2Å; I248-N284 WeakPolarHBondContact CD1-OD1 3.24Å; I248-N284 HydrophobicContact CG1-CB 4.49Å
249A95.8Very high95Very high2 Ų224.5 Ų24.52%0.01717%0.169CC..Hα-helixtrans-58.1-30.5173.500000112.4L218 E245 F255 F259 F260L218-A249 WeakPolarHBondContact O-CA 3.26Å; L218-A249 PolarHBondContact O-N 3.38Å; E245-A249 PolarHBondContact O-N 3.16Å; A249-F255 HydrophobicContact CB-CD1 4.47Å; A249-F255 HydrophobicContact CB-CD2 3.93Å; A249-F255 HydrophobicContact CB-CE1 4.45Å; A249-F255 HydrophobicContact CB-CE2 3.92Å; A249-F255 HydrophobicContact CB-CG 4.2Å; A249-F255 HydrophobicContact CB-CZ 4.19Å; A249-F255 WeakPolarHBondContact O-CD2 3.48Å; A249-F259 HydrophobicContact CB-CE1 4.37Å; A249-F260 HydrophobicContact CB-CZ 4.37Å
250G93.6Very high95Very high41 Ų4125.7 Ų25.742%0.42318%0.175SC..THydrogen-bonded Turntrans-89-7.1178.300000116.2L246 A247 I248L246-G250 PolarHBondContact O-N 2.97Å; L246-G250 VanDerWaalsContact O-N 3.11Å; A247-G250 PolarHBondContact O-N 3.23Å; I248-G250 PolarHBondContact O-N 3.36Å
251M89.7Confident94.9Very high27 Ų2729.4 Ų29.413%0.13320%0.201CC..THydrogen-bonded Turntrans-88.9-31.3-166.6-83.5171.872.300115.8A247 I248 Q281 N284 Y285A247-M251 VanDerWaalsContact O-CG 3.24Å; A247-M251 WeakPolarHBondContact O-CG 3.36Å; A247-M251 PolarHBondContact O-N 3.18Å; I248-M251 PolarHBondContact O-N 3.33Å; I248-M251 VanDerWaalsContact O-N 3.12Å; M251-Q281 HydrophobicContact CE-CB 4.45Å; M251-Q281 HydrophobicContact CG-CB 4.28Å; M251-Q281 HydrophobicContact CG-CG 3.73Å; M251-Q281 HydrophobicContact SD-CB 3.69Å; M251-Q281 HydrophobicContact SD-CG 3.65Å; M251-N284 HydrophobicContact CE-CB 3.63Å; M251-N284 HydrophobicContact SD-CB 3.49Å; M251-N284 WeakPolarHBondContact SD-CB 3.47Å; M251-Y285 HydrophobicContact CE-CD1 3.63Å; M251-Y285 HydrophobicContact CE-CD2 3.78Å; M251-Y285 HydrophobicContact CE-CE1 3.51Å; M251-Y285 HydrophobicContact CE-CE2 3.68Å; M251-Y285 HydrophobicContact CE-CG 3.76Å
252F85.6Confident94.9Very high77 Ų7729.1 Ų29.134%0.33820%0.201SC..SBendtrans-122.114-168.9-54.9-61.6000113.8W219 I248 H288W219-F252 HydrophobicContact CB-CD2 4.42Å; I248-F252 HydrophobicContact CG1-CE2 4.2Å; F252-H288 AromaticContact CE2-CE1 3.6Å; F252-H288 AromaticContact CE2-NE2 3.49Å; F252-H288 WeakPolarHBondContact CE2-NE2 3.38Å; F252-H288 AromaticContact CZ-CD2 3.72Å; F252-H288 AromaticContact CZ-CE1 3.57Å; F252-H288 AromaticContact CZ-NE2 3.27Å; F252-H288 VanDerWaalsContact CZ-NE2 3.27Å; F252-H288 WeakPolarHBondContact CZ-NE2 3.46Å
253G86.4Confident95Very high42 Ų4228.3 Ų28.343%0.43320%0.195SC..SBendtrans72.8-166.9-172.200000112.4F255G253-F255 VanDerWaalsContact C-N 3.3Å; G253-F255 PolarHBondContact O-N 3.25Å
254G85.5Confident95Very high42 Ų4229.5 Ų29.543%0.43320%0.201SC..  trans86.6-24.3178.500000115.6
255F93.2Very high95Very high21 Ų2133.8 Ų33.89%0.09223%0.23CC..  trans-95.2126.3170.5-68.4-94.6000111.2L103 L218 V223 A249 G253 F259 F260L103-F255 HydrophobicContact CD2-CE1 3.9Å; L218-F255 HydrophobicContact CD2-CZ 4.5Å; L218-F255 HydrophobicContact CG-CZ 4.05Å; L218-F255 WeakPolarHBondContact O-CE2 3.47Å; L218-F255 WeakPolarHBondContact O-CZ 3.38Å; V223-F255 HydrophobicContact CG1-CE1 4.16Å; V223-F255 HydrophobicContact CG1-CZ 3.67Å; V223-F255 HydrophobicContact CG2-CE1 4.5Å; V223-F255 HydrophobicContact CG2-CZ 4.05Å; A249-F255 HydrophobicContact CB-CD1 4.47Å; A249-F255 HydrophobicContact CB-CD2 3.93Å; A249-F255 HydrophobicContact CB-CE1 4.45Å; A249-F255 HydrophobicContact CB-CE2 3.92Å; A249-F255 HydrophobicContact CB-CG 4.2Å; A249-F255 HydrophobicContact CB-CZ 4.19Å; A249-F255 WeakPolarHBondContact O-CD2 3.48Å; G253-F255 VanDerWaalsContact C-N 3.3Å; G253-F255 PolarHBondContact O-N 3.25Å; F255-F259 HydrophobicContact CB-CD1 4.16Å; F255-F259 HydrophobicContact CB-CG 4.46Å; F255-F259 HydrophobicContact CD1-CB 4.31Å; F255-F259 AromaticContact CD1-CD1 3.63Å; F255-F259 HydrophobicContact CD1-CD1 3.63Å; F255-F259 AromaticContact CD1-CD2 3.71Å; F255-F259 HydrophobicContact CD1-CD2 3.71Å; F255-F259 AromaticContact CD1-CE1 3.8Å; F255-F259 HydrophobicContact CD1-CE1 3.8Å; F255-F259 AromaticContact CD1-CE2 3.88Å; F255-F259 HydrophobicContact CD1-CE2 3.88Å; F255-F259 AromaticContact CD1-CG 3.61Å; F255-F259 HydrophobicContact CD1-CG 3.61Å; F255-F259 AromaticContact CD1-CZ 3.92Å; F255-F259 HydrophobicContact CD1-CZ 3.92Å; F255-F259 HydrophobicContact CE1-CD1 4.46Å; F255-F259 HydrophobicContact CE1-CD2 4.07Å; F255-F259 HydrophobicContact CE1-CE1 4.25Å; F255-F259 AromaticContact CE1-CE2 3.84Å; F255-F259 HydrophobicContact CE1-CE2 3.84Å; F255-F259 HydrophobicContact CE1-CG 4.4Å; F255-F259 AromaticContact CE1-CZ 3.94Å; F255-F259 HydrophobicContact CE1-CZ 3.94Å; F255-F259 HydrophobicContact CG-CD1 4.25Å; F255-F259 HydrophobicContact CG-CE1 4.49Å; F255-F259 HydrophobicContact CG-CG 4.49Å; F255-F260 HydrophobicContact CB-CE2 3.76Å; F255-F260 HydrophobicContact CB-CZ 4.1Å
256S93.2Very high95Very high45 Ų4537.2 Ų37.232%0.31525%0.245SC..  trans-79.6163.2178.176.90000112S100 S258 F259 F260S100-S256 WeakPolarHBondContact CB-OG 3.34Å; S100-S256 PolarHBondContact OG-OG 3.4Å; S256-S258 PolarHBondContact O-N 3.08Å; S256-S258 VanDerWaalsContact O-N 3.17Å; S256-S258 PolarHBondContact OG-N 3.48Å; S256-S258 PolarHBondContact OG-OG 3.16Å; S256-F259 WeakPolarHBondContact O-CB 3.28Å; S256-F259 PolarHBondContact O-N 3.36Å; S256-F259 VanDerWaalsContact O-N 3.1Å; S256-F260 WeakPolarHBondContact O-CD2 3.18Å
257S95.5Very high95Very high96 Ų9638.4 Ų38.467%0.67125%0.251SS*.Hα-helixtrans-58-27.1171.855.60000113F259 F260 S261S257-F259 VanDerWaalsContact C-N 3.35Å; S257-F260 PolarHBondContact O-N 3.39Å; S257-S261 WeakPolarHBondContact O-CB 3.32Å; S257-S261 PolarHBondContact O-N 2.83Å; S257-S261 PolarHBondContact O-OG 3.42Å
258S97.6Very high95Very high44 Ų4443.1 Ų43.131%0.30828%0.282SS..Hα-helixtrans-65.7-36.2176.874.50000112.3S101 S256 A262S101-S258 PolarHBondContact N-OG 2.94Å; S256-S258 PolarHBondContact O-N 3.08Å; S256-S258 VanDerWaalsContact O-N 3.17Å; S256-S258 PolarHBondContact OG-N 3.48Å; S256-S258 PolarHBondContact OG-OG 3.16Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 2.98Å
259F98.4Very high95.1Very high0 Ų048 Ų480%030%0.303CS..Hα-helixtrans-59.6-53173.3167.8-92.3000111.2S100 L103 G104 I107 L218 L246 A249 F255 S256 S257 S261 A262 Y263S100-F259 WeakPolarHBondContact O-CA 3.46Å; L103-F259 HydrophobicContact CB-CD2 4.17Å; L103-F259 HydrophobicContact CB-CE2 4.44Å; L103-F259 HydrophobicContact CD2-CD2 4.25Å; L103-F259 HydrophobicContact CD2-CE2 4.19Å; L103-F259 HydrophobicContact CG-CD2 4.04Å; L103-F259 HydrophobicContact CG-CE2 3.87Å; G104-F259 WeakPolarHBondContact CA-O 3.33Å; G104-F259 VanDerWaalsContact N-CD2 3.28Å; I107-F259 HydrophobicContact CB-CE2 4.45Å; I107-F259 HydrophobicContact CG1-CE2 4.14Å; L218-F259 HydrophobicContact CD2-CZ 4.39Å; L246-F259 HydrophobicContact CD2-CE1 4.32Å; A249-F259 HydrophobicContact CB-CE1 4.37Å; F255-F259 HydrophobicContact CB-CD1 4.16Å; F255-F259 HydrophobicContact CB-CG 4.46Å; F255-F259 HydrophobicContact CD1-CB 4.31Å; F255-F259 AromaticContact CD1-CD1 3.63Å; F255-F259 HydrophobicContact CD1-CD1 3.63Å; F255-F259 AromaticContact CD1-CD2 3.71Å; F255-F259 HydrophobicContact CD1-CD2 3.71Å; F255-F259 AromaticContact CD1-CE1 3.8Å; F255-F259 HydrophobicContact CD1-CE1 3.8Å; F255-F259 AromaticContact CD1-CE2 3.88Å; F255-F259 HydrophobicContact CD1-CE2 3.88Å; F255-F259 AromaticContact CD1-CG 3.61Å; F255-F259 HydrophobicContact CD1-CG 3.61Å; F255-F259 AromaticContact CD1-CZ 3.92Å; F255-F259 HydrophobicContact CD1-CZ 3.92Å; F255-F259 HydrophobicContact CE1-CD1 4.46Å; F255-F259 HydrophobicContact CE1-CD2 4.07Å; F255-F259 HydrophobicContact CE1-CE1 4.25Å; F255-F259 AromaticContact CE1-CE2 3.84Å; F255-F259 HydrophobicContact CE1-CE2 3.84Å; F255-F259 HydrophobicContact CE1-CG 4.4Å; F255-F259 AromaticContact CE1-CZ 3.94Å; F255-F259 HydrophobicContact CE1-CZ 3.94Å; F255-F259 HydrophobicContact CG-CD1 4.25Å; F255-F259 HydrophobicContact CG-CE1 4.49Å; F255-F259 HydrophobicContact CG-CG 4.49Å; S256-F259 WeakPolarHBondContact O-CB 3.28Å; S256-F259 PolarHBondContact O-N 3.36Å; S256-F259 VanDerWaalsContact O-N 3.1Å; S257-F259 VanDerWaalsContact C-N 3.35Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-S261 PolarHBondContact O-N 2.88Å; F259-A262 PolarHBondContact O-N 3.28Å; F259-Y263 WeakPolarHBondContact O-CB 3.5Å; F259-Y263 PolarHBondContact O-N 3.49Å
260F98.1Very high95.1Very high54 Ų5449.4 Ų49.424%0.23732%0.315CS..Hα-helixtrans-66.3-37.9-177.8-67.1-76.2000112.3A249 F255 S256 S257 H264A249-F260 HydrophobicContact CB-CZ 4.37Å; F255-F260 HydrophobicContact CB-CE2 3.76Å; F255-F260 HydrophobicContact CB-CZ 4.1Å; S256-F260 WeakPolarHBondContact O-CD2 3.18Å; S257-F260 PolarHBondContact O-N 3.39Å; F260-H264 WeakPolarHBondContact O-CB 3.47Å; F260-H264 PolarHBondContact O-CD2 3.28Å; F260-H264 VanDerWaalsContact O-CD2 3.24Å; F260-H264 PolarHBondContact O-N 3.4Å
261S98.4Very high95.2Very high79 Ų7952.8 Ų52.855%0.55233%0.329SS*.Hα-helixtrans-64.5-45.3177.4-56.10000111S257 F259 H264 S265S257-S261 WeakPolarHBondContact O-CB 3.32Å; S257-S261 PolarHBondContact O-N 2.83Å; S257-S261 PolarHBondContact O-OG 3.42Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-S261 PolarHBondContact O-N 2.88Å; S261-H264 PolarHBondContact O-N 3.41Å; S261-S265 PolarHBondContact O-N 3.09Å
262A98.6Very high95.5Very high7 Ų753.8 Ų53.86%0.05835%0.346CS..Hα-helixtrans-64.3-43.4177.600000112S101 E105 S258 F259 S265S101-A262 WeakPolarHBondContact O-CB 3.42Å; S101-A262 WeakPolarHBondContact OG-CB 3.31Å; E105-A262 HydrophobicContact CG-CB 4.15Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 2.98Å; F259-A262 PolarHBondContact O-N 3.28Å; A262-S265 WeakPolarHBondContact O-CB 3.49Å; A262-S265 PolarHBondContact O-N 3.44Å; A262-S265 PolarHBondContact O-OG 3.21Å
263Y98.8Very high96.1Very high1 Ų150.7 Ų50.70%0.00433%0.332CS..Hα-helixtrans-60.1-51.4174.3-179.6-83000111.7G104 I107 A108 H111 L246 F259 S265 K266 I267G104-Y263 WeakPolarHBondContact O-CA 3.24Å; I107-Y263 HydrophobicContact CB-CD2 4.34Å; I107-Y263 HydrophobicContact CG2-CD2 4.09Å; I107-Y263 HydrophobicContact CG2-CE2 3.93Å; A108-Y263 HydrophobicContact CB-CD2 3.67Å; A108-Y263 HydrophobicContact CB-CE2 3.95Å; A108-Y263 HydrophobicContact CB-CG 4.21Å; H111-Y263 AromaticContact CE1-CE2 3.93Å; H111-Y263 AromaticContact ND1-CE2 3.43Å; H111-Y263 WeakPolarHBondContact ND1-CE2 3.28Å; H111-Y263 AromaticContact ND1-CZ 3.58Å; H111-Y263 PolarHBondContact ND1-OH 3.41Å; L246-Y263 HydrophobicContact CD1-CD1 3.96Å; L246-Y263 HydrophobicContact CD1-CE1 3.57Å; L246-Y263 HydrophobicContact CD2-CD1 3.96Å; L246-Y263 HydrophobicContact CD2-CD2 4.16Å; L246-Y263 HydrophobicContact CD2-CE1 3.94Å; L246-Y263 HydrophobicContact CD2-CE2 4.12Å; L246-Y263 HydrophobicContact CD2-CG 4.09Å; L246-Y263 HydrophobicContact CG-CE1 4.15Å; F259-Y263 WeakPolarHBondContact O-CB 3.5Å; F259-Y263 PolarHBondContact O-N 3.49Å; Y263-S265 PolarHBondContact O-N 3Å; Y263-K266 PolarHBondContact O-N 3.48Å; Y263-K266 VanDerWaalsContact O-N 3.08Å; Y263-I267 HydrophobicContact CE1-CB 3.89Å; Y263-I267 HydrophobicContact CE1-CD1 4.22Å; Y263-I267 HydrophobicContact CE1-CG2 4.3Å; Y263-I267 HydrophobicContact CE2-CD1 4.12Å; Y263-I267 PolarHBondContact O-N 2.86Å; Y263-I267 WeakPolarHBondContact OH-CD1 3.46Å
264H98.6Very high96.6Very high36 Ų3653.6 Ų53.617%0.16734%0.335CS..Hα-helixtrans-72.3-15.8-176.8-74.5-53.2000114.3F260 S261 K266 I267 K269F260-H264 WeakPolarHBondContact O-CB 3.47Å; F260-H264 PolarHBondContact O-CD2 3.28Å; F260-H264 VanDerWaalsContact O-CD2 3.24Å; F260-H264 PolarHBondContact O-N 3.4Å; S261-H264 PolarHBondContact O-N 3.41Å; H264-K266 PolarHBondContact O-N 2.9Å; H264-I267 WeakPolarHBondContact CA-O 3.5Å; H264-I267 PolarHBondContact ND1-O 2.94Å; H264-I267 CarbonylContact O-C 3.56Å; H264-K269 WeakPolarHBondContact CE1-CG 3.45Å; H264-K269 VanDerWaalsContact NE2-CE 3.26Å; H264-K269 WeakPolarHBondContact NE2-CE 3.27Å
265S98.6Very high97.1Very high89 Ų8956.4 Ų56.462%0.62234%0.335SS*.Hα-helixtrans-62.7-27.9168.879.90000112.7S261 A262 Y263S261-S265 PolarHBondContact O-N 3.09Å; A262-S265 WeakPolarHBondContact O-CB 3.49Å; A262-S265 PolarHBondContact O-N 3.44Å; A262-S265 PolarHBondContact O-OG 3.21Å; Y263-S265 PolarHBondContact O-N 3Å
266K98.6Very high97.3Very high72 Ų7255.7 Ų55.731%0.31333%0.331SS..Hα-helixtrans-100.6-36.8178.1-68.2-175.8177.8179.40113E105 A108 D109 L112 Y263 H264E105-K266 PolarHBondContact O-NZ 2.82Å; A108-K266 HydrophobicContact CB-CB 3.79Å; A108-K266 HydrophobicContact CB-CD 3.9Å; A108-K266 HydrophobicContact CB-CG 4.41Å; D109-K266 IonicContact OD1-NZ 2.8Å; D109-K266 PolarHBondContact OD1-NZ 3.1Å; D109-K266 IonicContact OD2-NZ 3.38Å; D109-K266 PolarHBondContact OD2-NZ 3.28Å; L112-K266 HydrophobicContact CD1-CB 4.29Å; Y263-K266 PolarHBondContact O-N 3.48Å; Y263-K266 VanDerWaalsContact O-N 3.08Å; H264-K266 PolarHBondContact O-N 2.9Å
267I98.1Very high97.5Very high30 Ų3054.5 Ų54.515%0.15432%0.322CS..SBendtrans-123.388.7178.5-53.7175.8000108.8A108 H111 L112 Y263 H264A108-I267 HydrophobicContact CB-CD1 4.04Å; A108-I267 HydrophobicContact CB-CG1 4.2Å; H111-I267 HydrophobicContact CB-CD1 3.84Å; L112-I267 HydrophobicContact CD1-CD1 4.37Å; L112-I267 HydrophobicContact CD1-CG1 3.96Å; L112-I267 HydrophobicContact CD2-CD1 4.32Å; L112-I267 HydrophobicContact CD2-CG1 4.14Å; L112-I267 HydrophobicContact CG-CD1 3.91Å; L112-I267 HydrophobicContact CG-CG1 3.93Å; Y263-I267 HydrophobicContact CE1-CB 3.89Å; Y263-I267 HydrophobicContact CE1-CD1 4.22Å; Y263-I267 HydrophobicContact CE1-CG2 4.3Å; Y263-I267 HydrophobicContact CE2-CD1 4.12Å; Y263-I267 PolarHBondContact O-N 2.86Å; Y263-I267 WeakPolarHBondContact OH-CD1 3.46Å; H264-I267 WeakPolarHBondContact CA-O 3.5Å; H264-I267 PolarHBondContact ND1-O 2.94Å; H264-I267 CarbonylContact O-C 3.56Å
268P97.6Very high97.7Very high98 Ų9854.7 Ų54.764%0.63631%0.31SS*.PPolyproline II helixtrans-57.5148.2178.7-25.235.1000112.1A270P268-A270 PolarHBondContact O-N 3.38Å
269K97.3Very high97.7Very high106 Ų10652.6 Ų52.646%0.46130%0.296SS..PPolyproline II helixtrans-61.9119.9174.6-69.4-178.4174.1-170.60109.9H264 F273 E274H264-K269 WeakPolarHBondContact CE1-CG 3.45Å; H264-K269 VanDerWaalsContact NE2-CE 3.26Å; H264-K269 WeakPolarHBondContact NE2-CE 3.27Å; K269-F273 HydrophobicContact CB-CB 3.98Å; K269-F273 HydrophobicContact CB-CD1 4.4Å; K269-F273 HydrophobicContact CB-CD2 4.44Å; K269-F273 HydrophobicContact CB-CG 4.01Å; K269-F273 HydrophobicContact CD-CD1 3.56Å; K269-F273 HydrophobicContact CD-CE1 3.91Å; K269-F273 HydrophobicContact CD-CG 4.03Å; K269-F273 VanDerWaalsContact CE-CE1 3.48Å; K269-F273 HydrophobicContact CG-CB 4.37Å; K269-F273 HydrophobicContact CG-CD1 3.87Å; K269-F273 HydrophobicContact CG-CD2 4.17Å; K269-F273 HydrophobicContact CG-CE1 4.24Å; K269-F273 HydrophobicContact CG-CG 3.85Å; K269-E274 IonicContact NZ-OE1 2.61Å; K269-E274 PolarHBondContact NZ-OE1 3.14Å
270A96.2Very high97.7Very high31 Ų3152.6 Ų52.626%0.25630%0.296SS..PPolyproline II helixtrans-70.4154.9172.400000110.9I207 P268 G272 F273I207-A270 HydrophobicContact CG2-CB 4.09Å; P268-A270 PolarHBondContact O-N 3.38Å; A270-G272 PolarHBondContact O-N 3.22Å; A270-F273 WeakPolarHBondContact O-CB 3.45Å; A270-F273 PolarHBondContact O-N 2.92Å
271P95.7Very high97.7Very high112 Ų11251.7 Ų51.773%0.72729%0.292SS*.THydrogen-bonded Turntrans-50.1135.6170.6-2735.8000111.4F273 R276P271-F273 VanDerWaalsContact C-N 3.33Å; P271-F273 PolarHBondContact O-N 3.19Å; P271-R276 VanDerWaalsContact O-CZ 3.3Å; P271-R276 PolarHBondContact O-NH1 3.24Å; P271-R276 PolarHBondContact O-NH2 3.1Å
272G96.3Very high97.7Very high47 Ų4748 Ų4849%0.48527%0.266SS..THydrogen-bonded Turntrans81.81.3-176.400000115.9A270 E274 K275 R276A270-G272 PolarHBondContact O-N 3.22Å; G272-E274 VanDerWaalsContact C-N 3.33Å; G272-E274 PolarHBondContact O-N 3.3Å; G272-K275 PolarHBondContact O-N 2.72Å; G272-R276 PolarHBondContact O-N 3.33Å; G272-R276 VanDerWaalsContact O-N 3.16Å
273F97.2Very high97.7Very high13 Ų1347.7 Ų47.76%0.05726%0.264CS..Hα-helixtrans-45.8-51.2-179.6172.8-94000113.2E243 L246 K269 A270 P271 K275 R276 N277E243-F273 HydrophobicContact CB-CE2 4.34Å; E243-F273 HydrophobicContact CG-CD2 3.82Å; E243-F273 HydrophobicContact CG-CE2 3.93Å; E243-F273 WeakPolarHBondContact OE1-CD2 3.24Å; L246-F273 HydrophobicContact CD1-CE2 3.78Å; L246-F273 HydrophobicContact CD1-CZ 3.9Å; K269-F273 HydrophobicContact CB-CB 3.98Å; K269-F273 HydrophobicContact CB-CD1 4.4Å; K269-F273 HydrophobicContact CB-CD2 4.44Å; K269-F273 HydrophobicContact CB-CG 4.01Å; K269-F273 HydrophobicContact CD-CD1 3.56Å; K269-F273 HydrophobicContact CD-CE1 3.91Å; K269-F273 HydrophobicContact CD-CG 4.03Å; K269-F273 VanDerWaalsContact CE-CE1 3.48Å; K269-F273 HydrophobicContact CG-CB 4.37Å; K269-F273 HydrophobicContact CG-CD1 3.87Å; K269-F273 HydrophobicContact CG-CD2 4.17Å; K269-F273 HydrophobicContact CG-CE1 4.24Å; K269-F273 HydrophobicContact CG-CG 3.85Å; A270-F273 WeakPolarHBondContact O-CB 3.45Å; A270-F273 PolarHBondContact O-N 2.92Å; P271-F273 VanDerWaalsContact C-N 3.33Å; P271-F273 PolarHBondContact O-N 3.19Å; F273-K275 PolarHBondContact O-N 2.71Å; F273-R276 PolarHBondContact O-N 3.44Å; F273-R276 VanDerWaalsContact O-N 3.15Å; F273-N277 HydrophobicContact CE1-CB 4.16Å; F273-N277 HydrophobicContact CZ-CB 4.21Å; F273-N277 WeakPolarHBondContact O-CB 3.29Å; F273-N277 PolarHBondContact O-N 2.97Å
274E96.6Very high97.6Very high102 Ų10247.6 Ų47.648%0.47726%0.263SS..Hα-helixtrans-63.5-30.6-174.8-62.8-60.1153.200113K269 G272 K278K269-E274 IonicContact NZ-OE1 2.61Å; K269-E274 PolarHBondContact NZ-OE1 3.14Å; G272-E274 VanDerWaalsContact C-N 3.33Å; G272-E274 PolarHBondContact O-N 3.3Å; E274-K278 WeakPolarHBondContact O-CG 3.46Å; E274-K278 PolarHBondContact O-N 3.33Å
275K96.5Very high97.5Very high101 Ų10148.2 Ų48.244%0.43926%0.264SS..Hα-helixtrans-73.8-44.2175.8-171.2174.6-179.8177.80110.7M203 G272 F273 K278 L279 L307M203-K275 HydrophobicContact CG-CD 4.49Å; M203-K275 HydrophobicContact SD-CD 4.2Å; M203-K275 HydrophobicContact SD-CG 4Å; G272-K275 PolarHBondContact O-N 2.72Å; F273-K275 PolarHBondContact O-N 2.71Å; K275-K278 PolarHBondContact O-N 3.19Å; K275-L279 PolarHBondContact O-N 3.43Å; K275-L279 VanDerWaalsContact O-N 3.14Å; K275-L307 HydrophobicContact CG-CD2 4.42Å
276R98Very high97.5Very high6 Ų644 Ų442%0.02324%0.235CC..Hα-helixtrans-66.3-38.7175.8-70.8-170.1-63.1-87.7-1.7112.5M203 F204 I207 E243 P271 G272 F273 K278 L279 Y280M203-R276 HydrophobicContact CB-CG 4.33Å; M203-R276 WeakPolarHBondContact O-CD 2.88Å; M203-R276 PolarHBondContact O-NH1 3.48Å; F204-R276 HydrophobicContact CD1-CG 4.49Å; F204-R276 HydrophobicContact CE1-CG 4.07Å; F204-R276 HydrophobicContact CZ-CG 4.36Å; I207-R276 VanDerWaalsContact CD1-CZ 3.5Å; E243-R276 IonicContact OE1-CZ 2.66Å; E243-R276 IonicContact OE1-NE 3.87Å; E243-R276 IonicContact OE1-NH2 3.1Å; E243-R276 PolarHBondContact OE1-NH2 2.96Å; E243-R276 WeakPolarHBondContact OE2-CB 3.04Å; E243-R276 IonicContact OE2-CZ 2.87Å; E243-R276 IonicContact OE2-NE 3.08Å; E243-R276 PolarHBondContact OE2-NE 3.03Å; E243-R276 IonicContact OE2-NH2 2.88Å; E243-R276 PolarHBondContact OE2-NH2 3.4Å; P271-R276 VanDerWaalsContact O-CZ 3.3Å; P271-R276 PolarHBondContact O-NH1 3.24Å; P271-R276 PolarHBondContact O-NH2 3.1Å; G272-R276 PolarHBondContact O-N 3.33Å; G272-R276 VanDerWaalsContact O-N 3.16Å; F273-R276 PolarHBondContact O-N 3.44Å; F273-R276 VanDerWaalsContact O-N 3.15Å; R276-K278 VanDerWaalsContact C-N 3.33Å; R276-K278 PolarHBondContact O-N 3.39Å; R276-L279 CarbonylContact O-C 3.54Å; R276-L279 WeakPolarHBondContact O-CA 3.46Å; R276-L279 WeakPolarHBondContact O-CB 3.47Å; R276-L279 PolarHBondContact O-N 3.04Å; R276-Y280 HydrophobicContact CB-CD2 4.47Å; R276-Y280 HydrophobicContact CB-CE2 4.08Å; R276-Y280 WeakPolarHBondContact O-CD2 3.22Å; R276-Y280 PolarHBondContact O-N 2.96Å
277N97.9Very high97.4Very high21 Ų2140.8 Ų40.811%0.11222%0.221CC..Hα-helixtrans-58.1-45.2174.9-172.250.5000111.1A247 F273 L279 Y280 Q281A247-N277 VanDerWaalsContact CA-OD1 3.28Å; A247-N277 WeakPolarHBondContact CA-OD1 3.46Å; A247-N277 PolarHBondContact N-OD1 2.91Å; F273-N277 HydrophobicContact CE1-CB 4.16Å; F273-N277 HydrophobicContact CZ-CB 4.21Å; F273-N277 WeakPolarHBondContact O-CB 3.29Å; F273-N277 PolarHBondContact O-N 2.97Å; N277-L279 VanDerWaalsContact C-N 3.32Å; N277-L279 PolarHBondContact O-N 3.47Å; N277-Y280 PolarHBondContact O-N 2.96Å; N277-Q281 VanDerWaalsContact O-CG 3.31Å; N277-Q281 WeakPolarHBondContact O-CG 3.27Å; N277-Q281 PolarHBondContact O-N 3.38Å
278K97.8Very high97.3Very high99 Ų9940.5 Ų40.543%0.4322%0.219SC..Hα-helixtrans-61.3-38.1172.8-72.9177.6-176.3-179.80113.1E274 K275 R276 Y280 Q281 L282 V303 L307E274-K278 WeakPolarHBondContact O-CG 3.46Å; E274-K278 PolarHBondContact O-N 3.33Å; K275-K278 PolarHBondContact O-N 3.19Å; R276-K278 VanDerWaalsContact C-N 3.33Å; R276-K278 PolarHBondContact O-N 3.39Å; K278-Y280 VanDerWaalsContact C-N 3.34Å; K278-Q281 PolarHBondContact O-N 3.2Å; K278-L282 PolarHBondContact O-N 2.97Å; K278-V303 WeakPolarHBondContact O-CG1 3.49Å; K278-L307 HydrophobicContact CB-CD2 4.03Å
279L98.4Very high97.3Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-64.9-37.7174.9175.366.3000111.8F168 L173 I200 M203 F204 K275 R276 N277 L282 L307F168-L279 HydrophobicContact CD1-CD2 4.41Å; F168-L279 HydrophobicContact CE1-CD1 4.21Å; F168-L279 HydrophobicContact CE1-CD2 3.92Å; F168-L279 HydrophobicContact CE1-CG 3.76Å; F168-L279 HydrophobicContact CZ-CG 4.48Å; L173-L279 HydrophobicContact CD1-CD1 3.98Å; I200-L279 HydrophobicContact CD1-CD1 3.74Å; I200-L279 HydrophobicContact CG1-CD1 3.88Å; I200-L279 HydrophobicContact CG1-CD2 4.11Å; I200-L279 HydrophobicContact CG2-CD2 3.82Å; M203-L279 HydrophobicContact SD-CD2 3.99Å; F204-L279 HydrophobicContact CE2-CD2 3.95Å; F204-L279 HydrophobicContact CZ-CD2 4.05Å; K275-L279 PolarHBondContact O-N 3.43Å; K275-L279 VanDerWaalsContact O-N 3.14Å; R276-L279 CarbonylContact O-C 3.54Å; R276-L279 WeakPolarHBondContact O-CA 3.46Å; R276-L279 WeakPolarHBondContact O-CB 3.47Å; R276-L279 PolarHBondContact O-N 3.04Å; N277-L279 VanDerWaalsContact C-N 3.32Å; N277-L279 PolarHBondContact O-N 3.47Å; L279-L282 HydrophobicContact CD1-CD2 4.41Å; L279-L282 VanDerWaalsContact O-CB 3.28Å; L279-L282 WeakPolarHBondContact O-CB 3.37Å; L279-L282 PolarHBondContact O-N 3.1Å; L279-L307 HydrophobicContact CB-CD1 4.27Å; L279-L307 HydrophobicContact CB-CD2 4.26Å; L279-L307 HydrophobicContact CD1-CD1 4.04Å
280Y98.5Very high97.2Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-72.3-33.2173.8-65.6-46.3000112.8W164 F168 F204 H241 E243 F244 R276 N277 K278 L282 F283 N284W164-Y280 VanDerWaalsContact CE2-OH 3.32Å; W164-Y280 AromaticContact CZ2-CE1 3.63Å; W164-Y280 HydrophobicContact CZ2-CE1 3.63Å; W164-Y280 AromaticContact CZ2-CZ 3.89Å; W164-Y280 WeakPolarHBondContact CZ2-OH 3.41Å; W164-Y280 AromaticContact NE1-CZ 3.98Å; W164-Y280 PolarHBondContact NE1-OH 2.92Å; F168-Y280 HydrophobicContact CD1-CE1 4.21Å; F168-Y280 HydrophobicContact CD2-CD1 4.35Å; F168-Y280 HydrophobicContact CD2-CE1 4.03Å; F168-Y280 HydrophobicContact CE1-CD1 4.03Å; F168-Y280 AromaticContact CE1-CE1 3.96Å; F168-Y280 HydrophobicContact CE1-CE1 3.96Å; F168-Y280 AromaticContact CE2-CD1 3.65Å; F168-Y280 HydrophobicContact CE2-CD1 3.65Å; F168-Y280 AromaticContact CE2-CE1 3.78Å; F168-Y280 HydrophobicContact CE2-CE1 3.78Å; F168-Y280 HydrophobicContact CG-CE1 4.25Å; F168-Y280 AromaticContact CZ-CD1 3.46Å; F168-Y280 HydrophobicContact CZ-CD1 3.46Å; F168-Y280 VanDerWaalsContact CZ-CD1 3.46Å; F168-Y280 AromaticContact CZ-CE1 3.75Å; F168-Y280 HydrophobicContact CZ-CE1 3.75Å; F204-Y280 VanDerWaalsContact CE1-OH 3.25Å; F204-Y280 WeakPolarHBondContact CE1-OH 3.13Å; F204-Y280 HydrophobicContact CZ-CE1 4.47Å; H241-Y280 WeakPolarHBondContact CB-OH 3.47Å; H241-Y280 AromaticContact ND1-CE2 3.89Å; H241-Y280 AromaticContact ND1-CZ 3.74Å; H241-Y280 PolarHBondContact ND1-OH 2.83Å; E243-Y280 HydrophobicContact CB-CD2 4.2Å; E243-Y280 HydrophobicContact CB-CE2 3.7Å; F244-Y280 HydrophobicContact CB-CD1 4.13Å; F244-Y280 HydrophobicContact CB-CE1 4.2Å; F244-Y280 HydrophobicContact CB-CG 4.31Å; F244-Y280 AromaticContact CD2-CD1 3.6Å; F244-Y280 HydrophobicContact CD2-CD1 3.6Å; F244-Y280 HydrophobicContact CD2-CE1 4.06Å; F244-Y280 HydrophobicContact CD2-CG 4.25Å; F244-Y280 HydrophobicContact CG-CD1 4.3Å; R276-Y280 HydrophobicContact CB-CD2 4.47Å; R276-Y280 HydrophobicContact CB-CE2 4.08Å; R276-Y280 WeakPolarHBondContact O-CD2 3.22Å; R276-Y280 PolarHBondContact O-N 2.96Å; N277-Y280 PolarHBondContact O-N 2.96Å; K278-Y280 VanDerWaalsContact C-N 3.34Å; Y280-L282 VanDerWaalsContact C-N 3.25Å; Y280-L282 PolarHBondContact O-N 2.94Å; Y280-F283 WeakPolarHBondContact O-CB 3.43Å; Y280-F283 PolarHBondContact O-N 2.82Å; Y280-N284 PolarHBondContact O-N 3.49Å; Y280-N284 PolarHBondContact O-ND2 3.13Å; Y280-N284 VanDerWaalsContact O-ND2 3.08Å
281Q97.9Very high97.1Very high36 Ų3631 Ų3117%0.16816%0.163CC..Hα-helixtrans-62.4-35.1170.4-68.7179.3-2300111.7A247 M251 N277 K278 F283 N284 Y285A247-Q281 HydrophobicContact CB-CG 3.88Å; M251-Q281 HydrophobicContact CE-CB 4.45Å; M251-Q281 HydrophobicContact CG-CB 4.28Å; M251-Q281 HydrophobicContact CG-CG 3.73Å; M251-Q281 HydrophobicContact SD-CB 3.69Å; M251-Q281 HydrophobicContact SD-CG 3.65Å; N277-Q281 VanDerWaalsContact O-CG 3.31Å; N277-Q281 WeakPolarHBondContact O-CG 3.27Å; N277-Q281 PolarHBondContact O-N 3.38Å; K278-Q281 PolarHBondContact O-N 3.2Å; Q281-F283 VanDerWaalsContact C-N 3.32Å; Q281-F283 PolarHBondContact O-N 3.42Å; Q281-N284 PolarHBondContact O-N 3.29Å; Q281-N284 VanDerWaalsContact O-N 3.16Å; Q281-Y285 HydrophobicContact CB-CD2 4.46Å; Q281-Y285 HydrophobicContact CB-CE2 4.26Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.3Å; Q281-Y285 PolarHBondContact O-N 3.49Å
282L98.3Very high96.9Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-56.5-45.2174.6177.360.7000111.8L173 L196 K278 L279 Y280 N284 Y285 I286 T300 V303 M304 L307L173-L282 HydrophobicContact CD2-CG 4.36Å; L196-L282 HydrophobicContact CD2-CD2 3.55Å; K278-L282 PolarHBondContact O-N 2.97Å; L279-L282 HydrophobicContact CD1-CD2 4.41Å; L279-L282 VanDerWaalsContact O-CB 3.28Å; L279-L282 WeakPolarHBondContact O-CB 3.37Å; L279-L282 PolarHBondContact O-N 3.1Å; Y280-L282 VanDerWaalsContact C-N 3.25Å; Y280-L282 PolarHBondContact O-N 2.94Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.84Å; L282-Y285 PolarHBondContact O-N 2.89Å; L282-I286 HydrophobicContact CD1-CD1 3.91Å; L282-I286 HydrophobicContact CD1-CG1 4.03Å; L282-I286 HydrophobicContact CD2-CD1 4.46Å; L282-I286 HydrophobicContact CG-CD1 3.77Å; L282-I286 HydrophobicContact CG-CG1 4.36Å; L282-I286 VanDerWaalsContact O-CG1 3.27Å; L282-I286 WeakPolarHBondContact O-CG1 3.37Å; L282-I286 PolarHBondContact O-N 2.88Å; L282-T300 HydrophobicContact CD1-CG2 3.8Å; L282-V303 HydrophobicContact CB-CG1 3.79Å; L282-V303 HydrophobicContact CD1-CB 4.33Å; L282-V303 HydrophobicContact CD1-CG1 4.24Å; L282-M304 HydrophobicContact CD1-CG 3.51Å; L282-M304 HydrophobicContact CD1-SD 4.36Å; L282-M304 HydrophobicContact CD2-CG 3.82Å; L282-M304 HydrophobicContact CG-CG 4.33Å; L282-L307 HydrophobicContact CB-CD1 4.39Å; L282-L307 HydrophobicContact CD2-CD1 4.01Å
283F97.9Very high96.8Very high1 Ų129 Ų290%0.00413%0.134CC..Hα-helixtrans-54.5-47.8176.2168.5-95000111.4F168 R172 L173 Q176 F244 Y280 Q281 Y285 I286 N287F168-F283 HydrophobicContact CE2-CB 4.28Å; F168-F283 HydrophobicContact CZ-CB 4.18Å; R172-F283 HydrophobicContact CB-CD2 3.72Å; R172-F283 HydrophobicContact CB-CE2 3.74Å; R172-F283 HydrophobicContact CG-CE2 4.27Å; L173-F283 HydrophobicContact CD2-CB 3.87Å; L173-F283 HydrophobicContact CD2-CD2 4.49Å; Q176-F283 HydrophobicContact CG-CD2 4.33Å; Q176-F283 HydrophobicContact CG-CE2 3.85Å; F244-F283 HydrophobicContact CE2-CB 4.43Å; F244-F283 AromaticContact CE2-CD1 3.61Å; F244-F283 HydrophobicContact CE2-CD1 3.61Å; F244-F283 HydrophobicContact CE2-CE1 4.03Å; F244-F283 AromaticContact CE2-CG 3.99Å; F244-F283 HydrophobicContact CE2-CG 3.99Å; F244-F283 AromaticContact CZ-CD1 3.52Å; F244-F283 HydrophobicContact CZ-CD1 3.52Å; F244-F283 AromaticContact CZ-CE1 3.54Å; F244-F283 HydrophobicContact CZ-CE1 3.54Å; F244-F283 HydrophobicContact CZ-CG 4.33Å; F244-F283 HydrophobicContact CZ-CZ 4.33Å; Y280-F283 WeakPolarHBondContact O-CB 3.43Å; Y280-F283 PolarHBondContact O-N 2.82Å; Q281-F283 VanDerWaalsContact C-N 3.32Å; Q281-F283 PolarHBondContact O-N 3.42Å; F283-Y285 PolarHBondContact O-N 3.25Å; F283-I286 PolarHBondContact O-N 3.2Å; F283-N287 WeakPolarHBondContact O-CB 3.45Å; F283-N287 PolarHBondContact O-N 3.16Å
284N96.8Very high96.7Very high0 Ų032.7 Ų32.70%016%0.157CC..Hα-helixtrans-66-38.2-178.9-69.1-60.6000112.5I248 M251 Y280 Q281 L282 N287 H288I248-N284 WeakPolarHBondContact CD1-OD1 3.24Å; I248-N284 HydrophobicContact CG1-CB 4.49Å; M251-N284 HydrophobicContact CE-CB 3.63Å; M251-N284 HydrophobicContact SD-CB 3.49Å; M251-N284 WeakPolarHBondContact SD-CB 3.47Å; Y280-N284 PolarHBondContact O-N 3.49Å; Y280-N284 PolarHBondContact O-ND2 3.13Å; Y280-N284 VanDerWaalsContact O-ND2 3.08Å; Q281-N284 PolarHBondContact O-N 3.29Å; Q281-N284 VanDerWaalsContact O-N 3.16Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.84Å; N284-N287 PolarHBondContact O-N 3.21Å; N284-H288 WeakPolarHBondContact O-CB 3.42Å; N284-H288 PolarHBondContact O-N 2.99Å; N284-H288 PolarHBondContact O-ND1 3.38Å
285Y97.8Very high96.7Very high48 Ų4831.1 Ų31.119%0.18817%0.169CC..Hα-helixtrans-65.4-39.8174.1-74.7-55.9000112.8M251 Q281 L282 F283 H288 W289 Y296 T300 V303M251-Y285 HydrophobicContact CE-CD1 3.63Å; M251-Y285 HydrophobicContact CE-CD2 3.78Å; M251-Y285 HydrophobicContact CE-CE1 3.51Å; M251-Y285 HydrophobicContact CE-CE2 3.68Å; M251-Y285 HydrophobicContact CE-CG 3.76Å; Q281-Y285 HydrophobicContact CB-CD2 4.46Å; Q281-Y285 HydrophobicContact CB-CE2 4.26Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.3Å; Q281-Y285 PolarHBondContact O-N 3.49Å; L282-Y285 PolarHBondContact O-N 2.89Å; F283-Y285 PolarHBondContact O-N 3.25Å; Y285-H288 PolarHBondContact O-N 3.33Å; Y285-W289 PolarHBondContact O-N 3.36Å; Y285-Y296 HydrophobicContact CD1-CD1 4.21Å; Y285-T300 WeakPolarHBondContact CB-OG1 3.37Å; Y285-T300 PolarHBondContact O-OG1 3.39Å; Y285-V303 HydrophobicContact CD2-CG2 3.84Å; Y285-V303 HydrophobicContact CE2-CG2 3.73Å
286I98.1Very high96.7Very high0 Ų029.6 Ų29.60%016%0.16CC..Hα-helixtrans-65.5-44.4174.8-59160.7000109.9L173 Q176 L177 I180 L282 F283 H288 W289 N290 T300L173-I286 HydrophobicContact CD2-CD1 3.82Å; Q176-I286 HydrophobicContact CB-CB 4.41Å; Q176-I286 HydrophobicContact CB-CG2 3.61Å; L177-I286 HydrophobicContact CD1-CD1 4.29Å; L177-I286 HydrophobicContact CD2-CD1 4.25Å; L177-I286 HydrophobicContact CD2-CG2 4.41Å; L177-I286 HydrophobicContact CG-CD1 4.07Å; L177-I286 HydrophobicContact CG-CG2 4.41Å; I180-I286 HydrophobicContact CG1-CG2 3.95Å; L282-I286 HydrophobicContact CD1-CD1 3.91Å; L282-I286 HydrophobicContact CD1-CG1 4.03Å; L282-I286 HydrophobicContact CD2-CD1 4.46Å; L282-I286 HydrophobicContact CG-CD1 3.77Å; L282-I286 HydrophobicContact CG-CG1 4.36Å; L282-I286 VanDerWaalsContact O-CG1 3.27Å; L282-I286 WeakPolarHBondContact O-CG1 3.37Å; L282-I286 PolarHBondContact O-N 2.88Å; F283-I286 PolarHBondContact O-N 3.2Å; I286-H288 VanDerWaalsContact C-N 3.33Å; I286-H288 PolarHBondContact O-N 3.45Å; I286-W289 WeakPolarHBondContact O-CB 3.26Å; I286-W289 PolarHBondContact O-N 2.89Å; I286-W289 VanDerWaalsContact O-N 3.13Å; I286-N290 PolarHBondContact O-N 3.47Å; I286-N290 PolarHBondContact O-ND2 3.43Å; I286-T300 HydrophobicContact CG1-CG2 3.61Å
287N96.4Very high96.7Very high5 Ų532.9 Ų32.93%0.02717%0.173CC..Hα-helixtrans-58.4-45175.9-173.165.5000111.4C151 Q176 F283 N284 W289 N290 H291C151-N287 PolarHBondContact SG-ND2 2.65Å; Q176-N287 PolarHBondContact NE2-OD1 3.44Å; F283-N287 WeakPolarHBondContact O-CB 3.45Å; F283-N287 PolarHBondContact O-N 3.16Å; N284-N287 PolarHBondContact O-N 3.21Å; N287-W289 VanDerWaalsContact C-N 3.33Å; N287-W289 PolarHBondContact O-N 2.95Å; N287-N290 PolarHBondContact O-N 3.4Å; N287-H291 PolarHBondContact ND2-CD2 3.01Å; N287-H291 PolarHBondContact O-CD2 3.4Å; N287-H291 PolarHBondContact O-N 3.16Å; N287-H291 PolarHBondContact OD1-CD2 3.49Å; N287-H291 PolarHBondContact OD1-NE2 2.91Å
288H95.2Very high96.7Very high24 Ų2434.1 Ų34.111%0.11119%0.19CC..Hα-helixtrans-65.2-34.5175.9-78.961.5000112.8F252 N284 Y285 I286 H291 F292 Y296F252-H288 AromaticContact CE2-CE1 3.6Å; F252-H288 AromaticContact CE2-NE2 3.49Å; F252-H288 WeakPolarHBondContact CE2-NE2 3.38Å; F252-H288 AromaticContact CZ-CD2 3.72Å; F252-H288 AromaticContact CZ-CE1 3.57Å; F252-H288 AromaticContact CZ-NE2 3.27Å; F252-H288 VanDerWaalsContact CZ-NE2 3.27Å; F252-H288 WeakPolarHBondContact CZ-NE2 3.46Å; N284-H288 WeakPolarHBondContact O-CB 3.42Å; N284-H288 PolarHBondContact O-N 2.99Å; N284-H288 PolarHBondContact O-ND1 3.38Å; Y285-H288 PolarHBondContact O-N 3.33Å; I286-H288 VanDerWaalsContact C-N 3.33Å; I286-H288 PolarHBondContact O-N 3.45Å; H288-H291 PolarHBondContact O-N 3.03Å; H288-F292 HydrophobicContact CB-CD2 4.02Å; H288-F292 HydrophobicContact CB-CE2 4.48Å; H288-F292 AromaticContact CD2-CD2 3.68Å; H288-F292 AromaticContact CD2-CE2 3.5Å; H288-F292 VanDerWaalsContact CD2-CE2 3.5Å; H288-F292 WeakPolarHBondContact CD2-CE2 3.02Å; H288-F292 AromaticContact NE2-CE2 3.95Å; H288-F292 WeakPolarHBondContact O-CB 3.16Å; H288-F292 WeakPolarHBondContact O-CD2 3.45Å; H288-F292 PolarHBondContact O-N 3.18Å; H288-Y296 HydrophobicContact CB-CD1 3.57Å; H288-Y296 HydrophobicContact CB-CD2 3.86Å; H288-Y296 HydrophobicContact CB-CE1 3.73Å; H288-Y296 HydrophobicContact CB-CE2 4.02Å; H288-Y296 HydrophobicContact CB-CG 3.63Å; H288-Y296 AromaticContact CD2-CE1 3.78Å; H288-Y296 AromaticContact CD2-CZ 3.68Å
289W97.4Very high96.7Very high1 Ų131.7 Ų31.70%0.00419%0.186CC..Hα-helixtrans-63-46172.1-173.8-2.4000110.7I180 Y184 D186 A189 Y285 I286 N287 H291 G293 R297 T300I180-W289 HydrophobicContact CD1-CB 3.94Å; I180-W289 HydrophobicContact CD1-CD2 3.44Å; I180-W289 VanDerWaalsContact CD1-CD2 3.44Å; I180-W289 HydrophobicContact CD1-CE3 3.85Å; I180-W289 HydrophobicContact CD1-CG 3.47Å; I180-W289 VanDerWaalsContact CD1-CG 3.47Å; I180-W289 HydrophobicContact CD1-CZ2 4.41Å; I180-W289 HydrophobicContact CD1-CZ3 4.5Å; I180-W289 HydrophobicContact CG1-CD2 4.32Å; I180-W289 HydrophobicContact CG1-CE3 4.26Å; I180-W289 HydrophobicContact CG2-CD2 4.47Å; I180-W289 HydrophobicContact CG2-CE3 4.27Å; I180-W289 HydrophobicContact CG2-CH2 3.63Å; I180-W289 HydrophobicContact CG2-CZ2 3.84Å; I180-W289 HydrophobicContact CG2-CZ3 3.87Å; Y184-W289 HydrophobicContact CD2-CZ2 4.41Å; Y184-W289 AromaticContact CD2-NE1 3.63Å; Y184-W289 AromaticContact CE2-CD1 3.83Å; Y184-W289 AromaticContact CE2-NE1 3.51Å; Y184-W289 HydrophobicContact CG-CZ2 4.41Å; Y184-W289 AromaticContact CG-NE1 3.98Å; Y184-W289 AromaticContact CZ-NE1 3.77Å; D186-W289 HydrophobicContact CB-CH2 3.75Å; D186-W289 HydrophobicContact CB-CZ2 4.13Å; A189-W289 HydrophobicContact CB-CH2 4.2Å; A189-W289 HydrophobicContact CB-CZ3 4.19Å; Y285-W289 PolarHBondContact O-N 3.36Å; I286-W289 WeakPolarHBondContact O-CB 3.26Å; I286-W289 PolarHBondContact O-N 2.89Å; I286-W289 VanDerWaalsContact O-N 3.13Å; N287-W289 VanDerWaalsContact C-N 3.33Å; N287-W289 PolarHBondContact O-N 2.95Å; W289-H291 VanDerWaalsContact C-N 3.29Å; W289-H291 PolarHBondContact O-N 3.03Å; W289-G293 VanDerWaalsContact CD1-C 3.49Å; W289-G293 VanDerWaalsContact CD1-O 3.29Å; W289-G293 VanDerWaalsContact O-CA 3.26Å; W289-G293 WeakPolarHBondContact O-CA 3.29Å; W289-G293 PolarHBondContact O-N 3.4Å; W289-R297 HydrophobicContact CD2-CB 4.11Å; W289-R297 HydrophobicContact CE3-CB 4.35Å; W289-R297 HydrophobicContact CH2-CB 4.15Å; W289-R297 HydrophobicContact CH2-CG 3.63Å; W289-R297 HydrophobicContact CZ2-CB 3.9Å; W289-R297 HydrophobicContact CZ2-CG 3.7Å; W289-R297 HydrophobicContact CZ3-CB 4.36Å; W289-R297 HydrophobicContact CZ3-CG 4.09Å; W289-T300 HydrophobicContact CE3-CG2 4.02Å; W289-T300 HydrophobicContact CZ3-CG2 4.14Å
290N96.7Very high96.7Very high9 Ų931.7 Ų31.75%0.04819%0.186CC..Hα-helixtrans-62.6-32.4176.4-77.4-44.7000113.6Y153 I154 Q176 L179 I180 I286 N287Y153-N290 PolarHBondContact OH-O 3.39Å; I154-N290 HydrophobicContact CD1-CB 3.48Å; I154-N290 VanDerWaalsContact CD1-CB 3.48Å; Q176-N290 PolarHBondContact O-ND2 3.23Å; Q176-N290 PolarHBondContact OE1-ND2 3.01Å; L179-N290 WeakPolarHBondContact CB-OD1 3.37Å; I180-N290 WeakPolarHBondContact CD1-OD1 3.36Å; I180-N290 WeakPolarHBondContact CG1-OD1 3.41Å; I180-N290 PolarHBondContact N-OD1 3.28Å; I286-N290 PolarHBondContact O-N 3.47Å; I286-N290 PolarHBondContact O-ND2 3.43Å; N287-N290 PolarHBondContact O-N 3.4Å
291H92.6Very high96.7Very high27 Ų2731.8 Ų31.813%0.12519%0.186CC..Hα-helixtrans-86.2-39.4-179.3-76.6-62.7000114.4C151 Y153 I154 N287 H288 W289C151-H291 PolarHBondContact O-NE2 3.08Å; Y153-H291 AromaticContact CD1-CE1 3.47Å; Y153-H291 VanDerWaalsContact CD1-CE1 3.47Å; Y153-H291 WeakPolarHBondContact CD1-CE1 3.21Å; Y153-H291 AromaticContact CD1-ND1 3.18Å; Y153-H291 WeakPolarHBondContact CD1-ND1 3.42Å; Y153-H291 AromaticContact CE1-CE1 3.57Å; Y153-H291 AromaticContact CE1-ND1 2.88Å; Y153-H291 WeakPolarHBondContact CE1-ND1 3.42Å; Y153-H291 AromaticContact CG-CE1 3.72Å; Y153-H291 AromaticContact CG-ND1 3.88Å; Y153-H291 AromaticContact CZ-CE1 3.84Å; Y153-H291 AromaticContact CZ-ND1 3.31Å; Y153-H291 VanDerWaalsContact CZ-ND1 3.31Å; Y153-H291 PolarHBondContact N-CE1 3.25Å; Y153-H291 VanDerWaalsContact N-CE1 3.26Å; I154-H291 WeakPolarHBondContact CD1-NE2 3.49Å; I154-H291 VanDerWaalsContact CG1-CE1 3.48Å; I154-H291 WeakPolarHBondContact CG1-CE1 3.32Å; N287-H291 PolarHBondContact ND2-CD2 3.01Å; N287-H291 PolarHBondContact O-CD2 3.4Å; N287-H291 PolarHBondContact O-N 3.16Å; N287-H291 PolarHBondContact OD1-CD2 3.49Å; N287-H291 PolarHBondContact OD1-NE2 2.91Å; H288-H291 PolarHBondContact O-N 3.03Å; W289-H291 VanDerWaalsContact C-N 3.29Å; W289-H291 PolarHBondContact O-N 3.03Å
292F92.9Very high96.7Very high103 Ų10333.2 Ų33.245%0.45220%0.196SC..Hα-helixtrans-121.3-0.7-166.3-52.2-60.7000113.5Y24 H288 Y296Y24-F292 HydrophobicContact CD1-CE1 4.05Å; Y24-F292 HydrophobicContact CD1-CZ 4.44Å; Y24-F292 HydrophobicContact CE1-CE1 4.48Å; H288-F292 HydrophobicContact CB-CD2 4.02Å; H288-F292 HydrophobicContact CB-CE2 4.48Å; H288-F292 AromaticContact CD2-CD2 3.68Å; H288-F292 AromaticContact CD2-CE2 3.5Å; H288-F292 VanDerWaalsContact CD2-CE2 3.5Å; H288-F292 WeakPolarHBondContact CD2-CE2 3.02Å; H288-F292 AromaticContact NE2-CE2 3.95Å; H288-F292 WeakPolarHBondContact O-CB 3.16Å; H288-F292 WeakPolarHBondContact O-CD2 3.45Å; H288-F292 PolarHBondContact O-N 3.18Å; F292-Y296 HydrophobicContact CB-CD2 4Å; F292-Y296 HydrophobicContact CB-CE2 3.65Å; F292-Y296 AromaticContact CD2-CE2 3.85Å; F292-Y296 HydrophobicContact CD2-CE2 3.85Å; F292-Y296 HydrophobicContact CG-CE2 4.14Å
293G94.4Very high96.7Very high14 Ų1434 Ų3414%0.14420%0.2CC..  trans86.5-165.1172.800000115.2W289 G295 Y296W289-G293 VanDerWaalsContact CD1-C 3.49Å; W289-G293 VanDerWaalsContact CD1-O 3.29Å; W289-G293 VanDerWaalsContact O-CA 3.26Å; W289-G293 WeakPolarHBondContact O-CA 3.29Å; W289-G293 PolarHBondContact O-N 3.4Å; G293-G295 PolarHBondContact O-N 2.99Å; G293-Y296 PolarHBondContact O-N 3.33Å
294T95Very high96.7Very high90 Ų9033.9 Ų33.955%0.55220%0.2SC*.G310 helixtrans-65.9-9.1-163.753.70000115.2Y184 Y296 R297Y184-T294 HydrophobicContact CD1-CG2 3.96Å; Y184-T294 HydrophobicContact CE1-CG2 3.79Å; T294-Y296 PolarHBondContact O-N 3.04Å; T294-Y296 VanDerWaalsContact O-N 3.16Å; T294-R297 WeakPolarHBondContact O-CB 3.33Å; T294-R297 PolarHBondContact O-N 3.16Å
295G96.4Very high96.8Very high69 Ų6938.9 Ų38.971%0.71122%0.218SC*.G310 helixtrans-56.2-28.3171.500000113.3G293G293-G295 PolarHBondContact O-N 2.99Å
296Y96.9Very high96.7Very high68 Ų6841.9 Ų41.927%0.26723%0.232SC..G310 helixtrans-91.3-10178-69.6-86.7000114.2Y285 H288 F292 G293 T294 G298 S299 T300Y285-Y296 HydrophobicContact CD1-CD1 4.21Å; H288-Y296 HydrophobicContact CB-CD1 3.57Å; H288-Y296 HydrophobicContact CB-CD2 3.86Å; H288-Y296 HydrophobicContact CB-CE1 3.73Å; H288-Y296 HydrophobicContact CB-CE2 4.02Å; H288-Y296 HydrophobicContact CB-CG 3.63Å; H288-Y296 AromaticContact CD2-CE1 3.78Å; H288-Y296 AromaticContact CD2-CZ 3.68Å; F292-Y296 HydrophobicContact CB-CD2 4Å; F292-Y296 HydrophobicContact CB-CE2 3.65Å; F292-Y296 AromaticContact CD2-CE2 3.85Å; F292-Y296 HydrophobicContact CD2-CE2 3.85Å; F292-Y296 HydrophobicContact CG-CE2 4.14Å; G293-Y296 PolarHBondContact O-N 3.33Å; T294-Y296 PolarHBondContact O-N 3.04Å; T294-Y296 VanDerWaalsContact O-N 3.16Å; Y296-G298 VanDerWaalsContact C-N 3.35Å; Y296-G298 PolarHBondContact O-N 2.69Å; Y296-S299 PolarHBondContact O-N 3.35Å; Y296-T300 PolarHBondContact O-N 3.48Å; Y296-T300 PolarHBondContact O-OG1 2.86Å; Y296-T300 VanDerWaalsContact O-OG1 3.1Å
297R97.8Very high96.7Very high75 Ų7542 Ų4228%0.28323%0.233SC..Hα-helixtrans-53-50-180178.4-175.3-174-74.1-15.7112D186 E188 W289 T294 S299 T300 L301D186-R297 IonicContact OD1-CZ 3.96Å; D186-R297 IonicContact OD1-NE 3.99Å; D186-R297 IonicContact OD1-NH2 3.94Å; D186-R297 PolarHBondContact OD1-NH2 3.27Å; D186-R297 VanDerWaalsContact OD1-NH2 3.13Å; D186-R297 IonicContact OD2-CZ 3.17Å; D186-R297 IonicContact OD2-NE 2.64Å; D186-R297 PolarHBondContact OD2-NE 3.48Å; D186-R297 IonicContact OD2-NH2 2.84Å; D186-R297 PolarHBondContact OD2-NH2 2.99Å; E188-R297 IonicContact OE2-NH1 3.98Å; E188-R297 IonicContact OE2-NH2 3.5Å; W289-R297 HydrophobicContact CD2-CB 4.11Å; W289-R297 HydrophobicContact CE3-CB 4.35Å; W289-R297 HydrophobicContact CH2-CB 4.15Å; W289-R297 HydrophobicContact CH2-CG 3.63Å; W289-R297 HydrophobicContact CZ2-CB 3.9Å; W289-R297 HydrophobicContact CZ2-CG 3.7Å; W289-R297 HydrophobicContact CZ3-CB 4.36Å; W289-R297 HydrophobicContact CZ3-CG 4.09Å; T294-R297 WeakPolarHBondContact O-CB 3.33Å; T294-R297 PolarHBondContact O-N 3.16Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 2.97Å; R297-T300 WeakPolarHBondContact O-CB 3.36Å; R297-T300 PolarHBondContact O-N 3.44Å; R297-L301 HydrophobicContact CG-CD1 3.74Å; R297-L301 HydrophobicContact CG-CG 4.35Å; R297-L301 WeakPolarHBondContact O-CG 3.32Å; R297-L301 PolarHBondContact O-N 2.93Å
298G98Very high96.7Very high47 Ų4743 Ų4349%0.48524%0.238SC..Hα-helixtrans-59.7-43.6-176.900000112.7Y296 N302Y296-G298 VanDerWaalsContact C-N 3.35Å; Y296-G298 PolarHBondContact O-N 2.69Å; G298-N302 VanDerWaalsContact O-CB 3.26Å; G298-N302 WeakPolarHBondContact O-CB 3.16Å; G298-N302 PolarHBondContact O-N 3.32Å
299S96.8Very high96.4Very high48 Ų4852.3 Ų52.334%0.33628%0.278SS..Hα-helixtrans-64.2-46.4176.8-61.50000111.6Y296 R297 N302 V303Y296-S299 PolarHBondContact O-N 3.35Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 2.97Å; S299-N302 PolarHBondContact O-N 2.95Å; S299-V303 VanDerWaalsContact O-CG2 3.29Å; S299-V303 WeakPolarHBondContact O-CG2 3.45Å; S299-V303 PolarHBondContact O-N 3.31Å
300T98.3Very high96.3Very high0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-54.6-55.6175.9-61.30000111.4L282 Y285 I286 W289 Y296 R297 N302 V303 M304L282-T300 HydrophobicContact CD1-CG2 3.8Å; Y285-T300 WeakPolarHBondContact CB-OG1 3.37Å; Y285-T300 PolarHBondContact O-OG1 3.39Å; I286-T300 HydrophobicContact CG1-CG2 3.61Å; W289-T300 HydrophobicContact CE3-CG2 4.02Å; W289-T300 HydrophobicContact CZ3-CG2 4.14Å; Y296-T300 PolarHBondContact O-N 3.48Å; Y296-T300 PolarHBondContact O-OG1 2.86Å; Y296-T300 VanDerWaalsContact O-OG1 3.1Å; R297-T300 WeakPolarHBondContact O-CB 3.36Å; R297-T300 PolarHBondContact O-N 3.44Å; T300-N302 VanDerWaalsContact C-N 3.34Å; T300-N302 PolarHBondContact O-N 3.4Å; T300-V303 PolarHBondContact O-N 3.11Å; T300-M304 HydrophobicContact CG2-SD 4.1Å; T300-M304 WeakPolarHBondContact O-CG 3.47Å; T300-M304 PolarHBondContact O-N 3.44Å
301L98.4Very high96.3Very high2 Ų257.3 Ų57.31%0.0131%0.305CS..Hα-helixtrans-64.8-38.3-176.9-62172.3000112E188 A189 L192 R297 V303 M304 R305E188-L301 HydrophobicContact CB-CD2 4.39Å; E188-L301 HydrophobicContact CG-CD1 4.5Å; E188-L301 HydrophobicContact CG-CD2 4.22Å; E188-L301 WeakPolarHBondContact OE2-CD1 3.48Å; A189-L301 HydrophobicContact CB-CD2 3.92Å; L192-L301 HydrophobicContact CD1-CB 4.34Å; L192-L301 HydrophobicContact CD1-CD2 3.8Å; R297-L301 HydrophobicContact CG-CD1 3.74Å; R297-L301 HydrophobicContact CG-CG 4.35Å; R297-L301 WeakPolarHBondContact O-CG 3.32Å; R297-L301 PolarHBondContact O-N 2.93Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-V303 PolarHBondContact O-N 2.85Å; L301-M304 HydrophobicContact CD2-SD 4.33Å; L301-M304 PolarHBondContact O-N 3.44Å; L301-R305 WeakPolarHBondContact O-CG 3.42Å; L301-R305 PolarHBondContact O-N 2.82Å
302N98.1Very high96.5Very high67 Ų6759 Ų5936%0.35832%0.315SS..Hα-helixtrans-60.2-43.2175.2-177.541.7000112G298 S299 T300 R305 K306G298-N302 VanDerWaalsContact O-CB 3.26Å; G298-N302 WeakPolarHBondContact O-CB 3.16Å; G298-N302 PolarHBondContact O-N 3.32Å; S299-N302 PolarHBondContact O-N 2.95Å; T300-N302 VanDerWaalsContact C-N 3.34Å; T300-N302 PolarHBondContact O-N 3.4Å; N302-R305 PolarHBondContact O-N 3.29Å; N302-K306 PolarHBondContact ND2-NZ 3.37Å; N302-K306 WeakPolarHBondContact O-CB 3.26Å; N302-K306 WeakPolarHBondContact O-CG 3.29Å; N302-K306 PolarHBondContact O-N 2.58Å; N302-K306 WeakPolarHBondContact OD1-CE 3.47Å
303V98.1Very high96.7Very high15 Ų1556.4 Ų56.49%0.09131%0.307CS..Hα-helixtrans-66-44.2177.3174.90000110.6K278 L282 Y285 S299 T300 L301 R305 K306 L307K278-V303 WeakPolarHBondContact O-CG1 3.49Å; L282-V303 HydrophobicContact CB-CG1 3.79Å; L282-V303 HydrophobicContact CD1-CB 4.33Å; L282-V303 HydrophobicContact CD1-CG1 4.24Å; Y285-V303 HydrophobicContact CD2-CG2 3.84Å; Y285-V303 HydrophobicContact CE2-CG2 3.73Å; S299-V303 VanDerWaalsContact O-CG2 3.29Å; S299-V303 WeakPolarHBondContact O-CG2 3.45Å; S299-V303 PolarHBondContact O-N 3.31Å; T300-V303 PolarHBondContact O-N 3.11Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-V303 PolarHBondContact O-N 2.85Å; V303-R305 PolarHBondContact O-N 3.07Å; V303-K306 PolarHBondContact O-N 3.02Å; V303-K306 VanDerWaalsContact O-N 3.16Å; V303-L307 HydrophobicContact CG1-CD1 3.84Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-L307 WeakPolarHBondContact O-CG 3.36Å; V303-L307 PolarHBondContact O-N 2.87Å
304M98.5Very high96.9Very high0 Ų059.1 Ų59.10%032%0.317CS..Hα-helixtrans-58-47.4175.8-65.5176.68500111.9L192 W193 L196 L282 T300 L301 K306 L307 L308L192-M304 HydrophobicContact CB-CB 4.11Å; L192-M304 HydrophobicContact CB-CE 3.65Å; L192-M304 HydrophobicContact CB-SD 4.18Å; L192-M304 HydrophobicContact CD1-CB 3.98Å; L192-M304 HydrophobicContact CD1-SD 4.46Å; W193-M304 HydrophobicContact CB-CE 3.74Å; W193-M304 HydrophobicContact CE3-CE 4.48Å; W193-M304 VanDerWaalsContact N-CE 3.28Å; L196-M304 HydrophobicContact CD2-CB 4.4Å; L196-M304 HydrophobicContact CD2-CE 4.5Å; L196-M304 HydrophobicContact CD2-CG 4.23Å; L282-M304 HydrophobicContact CD1-CG 3.51Å; L282-M304 HydrophobicContact CD1-SD 4.36Å; L282-M304 HydrophobicContact CD2-CG 3.82Å; L282-M304 HydrophobicContact CG-CG 4.33Å; T300-M304 HydrophobicContact CG2-SD 4.1Å; T300-M304 WeakPolarHBondContact O-CG 3.47Å; T300-M304 PolarHBondContact O-N 3.44Å; L301-M304 HydrophobicContact CD2-SD 4.33Å; L301-M304 PolarHBondContact O-N 3.44Å; M304-K306 VanDerWaalsContact C-N 3.32Å; M304-K306 PolarHBondContact O-N 2.61Å; M304-L307 PolarHBondContact O-N 3.13Å; M304-L308 WeakPolarHBondContact O-CG 3.45Å; M304-L308 PolarHBondContact O-N 3.24Å; M304-L308 VanDerWaalsContact O-N 3.16Å
305R98.3Very high97Very high105 Ų10557 Ų5740%0.39630%0.302SS..Hα-helixtrans-61.3-38.9176.4-68.1-173.5-149.4121.8-8.6112.1E188 L192 L301 N302 V303 L308 K309E188-R305 VanDerWaalsContact CD-NH2 3.34Å; E188-R305 IonicContact OE1-CZ 2.87Å; E188-R305 IonicContact OE1-NE 3.55Å; E188-R305 PolarHBondContact OE1-NE 2.77Å; E188-R305 IonicContact OE1-NH2 3.13Å; E188-R305 PolarHBondContact OE1-NH2 2.6Å; E188-R305 IonicContact OE2-NH2 3.63Å; E188-R305 PolarHBondContact OE2-NH2 2.93Å; L192-R305 HydrophobicContact CD1-CG 3.88Å; L192-R305 HydrophobicContact CD2-CG 3.88Å; L301-R305 WeakPolarHBondContact O-CG 3.42Å; L301-R305 PolarHBondContact O-N 2.82Å; N302-R305 PolarHBondContact O-N 3.29Å; V303-R305 PolarHBondContact O-N 3.07Å; R305-L308 PolarHBondContact O-N 3.41Å; R305-K309 PolarHBondContact O-N 2.64Å
306K97.3Very high97.1Very high110 Ų11056.1 Ų56.148%0.47827%0.272SS..Hα-helixtrans-67.3-34.2176.7-76.5174.7179.8176.70113N302 V303 M304 L308N302-K306 PolarHBondContact ND2-NZ 3.37Å; N302-K306 WeakPolarHBondContact O-CB 3.26Å; N302-K306 WeakPolarHBondContact O-CG 3.29Å; N302-K306 PolarHBondContact O-N 2.58Å; N302-K306 WeakPolarHBondContact OD1-CE 3.47Å; V303-K306 PolarHBondContact O-N 3.02Å; V303-K306 VanDerWaalsContact O-N 3.16Å; M304-K306 VanDerWaalsContact C-N 3.32Å; M304-K306 PolarHBondContact O-N 2.61Å; K306-L308 VanDerWaalsContact C-N 3.32Å
307L97.1Very high97.1Very high4 Ų455.2 Ų55.22%0.02127%0.273CS..Hα-helixtrans-76.1-20.5178.4-71.6166.9000113.2L196 M203 K275 K278 L279 L282 V303 M304L196-L307 HydrophobicContact CD1-CB 3.7Å; L196-L307 HydrophobicContact CD2-CB 4.4Å; L196-L307 HydrophobicContact CD2-CD1 4.14Å; M203-L307 HydrophobicContact CE-CD2 4.43Å; K275-L307 HydrophobicContact CG-CD2 4.42Å; K278-L307 HydrophobicContact CB-CD2 4.03Å; L279-L307 HydrophobicContact CB-CD1 4.27Å; L279-L307 HydrophobicContact CB-CD2 4.26Å; L279-L307 HydrophobicContact CD1-CD1 4.04Å; L282-L307 HydrophobicContact CB-CD1 4.39Å; L282-L307 HydrophobicContact CD2-CD1 4.01Å; V303-L307 HydrophobicContact CG1-CD1 3.84Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-L307 WeakPolarHBondContact O-CG 3.36Å; V303-L307 PolarHBondContact O-N 2.87Å; M304-L307 PolarHBondContact O-N 3.13Å
308L96.2Very high97Very high24 Ų2453.6 Ų53.613%0.12627%0.272CS..Hα-helixtrans-83.4-21.8176.9-75174.6000114.1L192 Q195 L196 K199 M304 R305 K306L192-L308 HydrophobicContact CB-CD1 4.42Å; L192-L308 HydrophobicContact CD2-CD1 3.63Å; Q195-L308 HydrophobicContact CB-CD1 4.25Å; Q195-L308 HydrophobicContact CB-CD2 3.76Å; L196-L308 HydrophobicContact CB-CD2 3.98Å; L196-L308 HydrophobicContact CB-CG 4.4Å; L196-L308 HydrophobicContact CD1-CD2 4.27Å; K199-L308 HydrophobicContact CD-CD2 4.11Å; K199-L308 PolarHBondContact NZ-O 2.68Å; M304-L308 WeakPolarHBondContact O-CG 3.45Å; M304-L308 PolarHBondContact O-N 3.24Å; M304-L308 VanDerWaalsContact O-N 3.16Å; R305-L308 PolarHBondContact O-N 3.41Å; K306-L308 VanDerWaalsContact C-N 3.32Å
309K89.1Confident96.9Very high221 Ų22154.2 Ų54.296%0.96125%0.252SS*.  trans-73.70171.5-68.2-178.2-179.7-1710110.3R305R305-K309 PolarHBondContact O-N 2.64Å

Retrieved 309 of 309 residues in 181.5 ms (Link to these results)

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