A0A077ZHU9_TRITR Loading...

Leucine Rich Repeat family protein

AlphaFold DB , UniProt , Accession A0A077ZHU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 374 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
1M34.5Very low48.7Very low240 Ų240128.1 Ų128.1100%1.18271%0.711SS**  0101.80-76.1171.4122.400106.7T3M1-T3 PolarHBondContact O-N 3.43Å
2S33.2Very low50.9Low115 Ų115127.2 Ų127.280%0.80470%0.697SS**  trans-69.2117.3172.8-179.70000107.2V4S2-V4 PolarHBondContact O-N 3.37Å
3T36.4Very low52.5Low118 Ų118117.8 Ų117.872%0.72465%0.646SS**  trans-70.198.417244.30000107.4M1 H5M1-T3 PolarHBondContact O-N 3.43Å; T3-H5 PolarHBondContact O-N 2.91Å
4V33.6Very low53.6Low120 Ų120109.9 Ų109.973%0.72760%0.602SS**  trans-57.292161.7179.10000106.3S2 D6S2-V4 PolarHBondContact O-N 3.37Å; V4-D6 PolarHBondContact O-N 2.8Å
5H39.9Very low55Low177 Ų177106.5 Ų106.582%0.81960%0.595SS**  trans-72.2109.1157.4-94.8-70.6000105.3T3 A7T3-H5 PolarHBondContact O-N 2.91Å; H5-A7 PolarHBondContact O-N 2.94Å
6D45.4Very low56.2Low136 Ų136102.7 Ų102.773%0.72757%0.571SS**  trans-44.5113172.6-82.3-39.7000109.2V4 R8V4-D6 PolarHBondContact O-N 2.8Å; D6-R8 PolarHBondContact O-N 3.42Å
7A47.5Very low57.1Low102 Ų10297.1 Ų97.184%0.84354%0.54SS*.  trans-6784.8159.500000106.2H5 S9H5-A7 PolarHBondContact O-N 2.94Å; A7-S9 PolarHBondContact O-N 2.88Å
8R59.3Low57.8Low118 Ų11894.6 Ų94.645%0.44553%0.525SS..  trans-48.5133.2163-73.4-173.1-175.7157.211.1106.6D6 E32D6-R8 PolarHBondContact O-N 3.42Å; R8-E32 IonicContact NH1-OE2 2.8Å; R8-E32 PolarHBondContact NH1-OE2 2.99Å
9S70.1Confident58.5Low51 Ų5195.7 Ų95.736%0.35753%0.529SS..  trans-60.314717673.50000108.4A7 E11 E12 L13A7-S9 PolarHBondContact O-N 2.88Å; S9-E11 PolarHBondContact O-N 3.15Å; S9-E11 VanDerWaalsContact O-N 3.11Å; S9-E12 PolarHBondContact N-OE2 3.02Å; S9-E12 PolarHBondContact O-N 3.33Å; S9-E12 WeakPolarHBondContact OG-CG 3.48Å; S9-E12 PolarHBondContact OG-N 2.99Å; S9-E12 VanDerWaalsContact OG-N 3.15Å; S9-L13 PolarHBondContact O-N 3.38Å; S9-L13 VanDerWaalsContact O-N 3.17Å
10T67Low59.2Low74 Ų7492.8 Ų92.845%0.45451%0.51SS..Hα-helixtrans-50.2-39.1175.5-50.90000110.4L13 L14 V39T10-L13 PolarHBondContact O-N 3.23Å; T10-L14 HydrophobicContact CG2-CD1 3.99Å; T10-L14 HydrophobicContact CG2-CG 4.35Å; T10-L14 WeakPolarHBondContact O-CB 3.34Å; T10-L14 WeakPolarHBondContact O-CD1 3.27Å; T10-L14 WeakPolarHBondContact O-CG 3.33Å; T10-L14 PolarHBondContact O-N 3.4Å; T10-V39 HydrophobicContact CG2-CG2 4.14Å
11E69.4Low59.4Low158 Ų15889.3 Ų89.374%0.73849%0.491SS*.Hα-helixtrans-61.4-41.2176.5-65.5-178.6172.100114.1S9 L14 A15S9-E11 PolarHBondContact O-N 3.15Å; S9-E11 VanDerWaalsContact O-N 3.11Å; E11-L14 PolarHBondContact O-N 3.43Å; E11-A15 PolarHBondContact O-N 3.24Å
12E75Confident60.9Low117 Ų11783 Ų8355%0.54747%0.466SS..Hα-helixtrans-65.3-44.3176.5-77.8171.7176.800111.5S9 L14 A15 Q16S9-E12 PolarHBondContact N-OE2 3.02Å; S9-E12 PolarHBondContact O-N 3.33Å; S9-E12 WeakPolarHBondContact OG-CG 3.48Å; S9-E12 PolarHBondContact OG-N 2.99Å; S9-E12 VanDerWaalsContact OG-N 3.15Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.2Å; E12-A15 PolarHBondContact O-N 3.12Å; E12-Q16 WeakPolarHBondContact O-CB 3.3Å; E12-Q16 PolarHBondContact O-N 3.49Å
13L72Confident62.6Low5 Ų580.5 Ų80.53%0.02645%0.453CS..Hα-helixtrans-62.2-41.2176.4-166.1107.7000110.6S9 T10 Q16 L17 E32 S36 V39S9-L13 PolarHBondContact O-N 3.38Å; S9-L13 VanDerWaalsContact O-N 3.17Å; T10-L13 PolarHBondContact O-N 3.23Å; L13-Q16 WeakPolarHBondContact O-CB 3.15Å; L13-Q16 PolarHBondContact O-N 2.71Å; L13-L17 HydrophobicContact CD2-CD1 3.9Å; L13-L17 HydrophobicContact CD2-CG 4.49Å; L13-L17 HydrophobicContact CG-CD1 4.49Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.37Å; L13-E32 HydrophobicContact CD1-CB 4.46Å; L13-S36 WeakPolarHBondContact CD1-OG 3.44Å; L13-V39 HydrophobicContact CD2-CB 4.02Å; L13-V39 HydrophobicContact CD2-CG1 4.2Å; L13-V39 HydrophobicContact CD2-CG2 3.38Å
14L66.7Low63.8Low7 Ų776.7 Ų76.74%0.03744%0.437CS..Hα-helixtrans-63.2-45.8176.7-73172.5000112.5T10 E11 E12 Q16 L17 D18 V39 E43 R46T10-L14 HydrophobicContact CG2-CD1 3.99Å; T10-L14 HydrophobicContact CG2-CG 4.35Å; T10-L14 WeakPolarHBondContact O-CB 3.34Å; T10-L14 WeakPolarHBondContact O-CD1 3.27Å; T10-L14 WeakPolarHBondContact O-CG 3.33Å; T10-L14 PolarHBondContact O-N 3.4Å; E11-L14 PolarHBondContact O-N 3.43Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.2Å; L14-Q16 PolarHBondContact O-N 2.87Å; L14-L17 HydrophobicContact CD2-CD1 4.35Å; L14-L17 WeakPolarHBondContact O-CB 3.46Å; L14-L17 PolarHBondContact O-N 2.82Å; L14-D18 PolarHBondContact O-N 3.23Å; L14-V39 HydrophobicContact CD2-CG1 3.6Å; L14-V39 HydrophobicContact CG-CG1 4.46Å; L14-E43 VanDerWaalsContact CD1-CD 3.42Å; L14-E43 WeakPolarHBondContact CD1-OE1 3.21Å; L14-E43 WeakPolarHBondContact CD1-OE2 3.14Å; L14-E43 VanDerWaalsContact CD2-OE2 3.25Å; L14-E43 WeakPolarHBondContact CD2-OE2 3.37Å; L14-R46 PolarHBondContact O-NH1 3Å
15A75.6Confident65.3Low60 Ų6074.8 Ų74.850%0.49642%0.422SS..Hα-helixtrans-61.2-36.2175.200000112E11 E12 D18 L19E11-A15 PolarHBondContact O-N 3.24Å; E12-A15 PolarHBondContact O-N 3.12Å; A15-D18 PolarHBondContact O-N 3.38Å; A15-L19 PolarHBondContact O-N 3.34Å; A15-L19 VanDerWaalsContact O-N 3.12Å
16Q74.5Confident66.6Low45 Ų4566.8 Ų66.821%0.2139%0.387CS..Hα-helixtrans-70.6-40.4176.5-162.7177.91.100112.1E12 L13 L14 D18 L19 Y20 E32E12-Q16 WeakPolarHBondContact O-CB 3.3Å; E12-Q16 PolarHBondContact O-N 3.49Å; L13-Q16 WeakPolarHBondContact O-CB 3.15Å; L13-Q16 PolarHBondContact O-N 2.71Å; L14-Q16 PolarHBondContact O-N 2.87Å; Q16-D18 VanDerWaalsContact C-N 3.33Å; Q16-D18 PolarHBondContact O-N 2.82Å; Q16-L19 WeakPolarHBondContact O-CB 3.25Å; Q16-L19 PolarHBondContact O-N 3.45Å; Q16-Y20 HydrophobicContact CG-CD2 4.27Å; Q16-Y20 HydrophobicContact CG-CE2 3.53Å; Q16-Y20 PolarHBondContact NE2-OH 3.27Å; Q16-Y20 WeakPolarHBondContact O-CD2 3.46Å; Q16-Y20 PolarHBondContact O-N 2.9Å; Q16-E32 PolarHBondContact NE2-OE1 3.47Å
17L71Confident67.6Low8 Ų866.1 Ų66.14%0.04238%0.379CS..Hα-helixtrans-59.3-43.4171.1-73.6172.6000111L13 L14 L19 Y20 L21 V29 E32 L33 V39L13-L17 HydrophobicContact CD2-CD1 3.9Å; L13-L17 HydrophobicContact CD2-CG 4.49Å; L13-L17 HydrophobicContact CG-CD1 4.49Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.37Å; L14-L17 HydrophobicContact CD2-CD1 4.35Å; L14-L17 WeakPolarHBondContact O-CB 3.46Å; L14-L17 PolarHBondContact O-N 2.82Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 2.9Å; L17-Y20 PolarHBondContact O-N 2.91Å; L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.09Å; L17-L21 WeakPolarHBondContact O-CD1 3.38Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.29Å; L17-V29 HydrophobicContact CD2-CB 4.35Å; L17-V29 HydrophobicContact CD2-CG1 4.01Å; L17-E32 HydrophobicContact CD2-CB 3.77Å; L17-E32 HydrophobicContact CD2-CG 4.32Å; L17-E32 HydrophobicContact CG-CB 4.5Å; L17-L33 HydrophobicContact CD1-CD2 4.01Å; L17-L33 HydrophobicContact CD2-CD2 4.36Å; L17-L33 HydrophobicContact CD2-CG 4.37Å; L17-V39 HydrophobicContact CD1-CG1 4.03Å
18D68.9Low68.6Low52 Ų5263 Ų6328%0.27835%0.347SS..Hα-helixtrans-60.2-39.6175.9-74.4-33.2000112.3L14 A15 Q16 T22 R46L14-D18 PolarHBondContact O-N 3.23Å; A15-D18 PolarHBondContact O-N 3.38Å; Q16-D18 VanDerWaalsContact C-N 3.33Å; Q16-D18 PolarHBondContact O-N 2.82Å; D18-T22 VanDerWaalsContact O-CB 3.27Å; D18-T22 WeakPolarHBondContact O-CB 3.36Å; D18-T22 PolarHBondContact O-N 3.17Å; D18-T22 PolarHBondContact O-OG1 2.94Å; D18-R46 IonicContact OD1-CZ 3.54Å; D18-R46 IonicContact OD1-NH1 3.25Å; D18-R46 PolarHBondContact OD1-NH1 3.38Å; D18-R46 IonicContact OD1-NH2 3.69Å; D18-R46 IonicContact OD2-CZ 2.92Å; D18-R46 VanDerWaalsContact OD2-CZ 3.25Å; D18-R46 IonicContact OD2-NH1 2.69Å; D18-R46 PolarHBondContact OD2-NH1 3.28Å; D18-R46 IonicContact OD2-NH2 3.69Å; D18-R46 PolarHBondContact OD2-NH2 3.01Å
19L72.5Confident69.1Low115 Ų11557.5 Ų57.560%0.60233%0.327SS*.Hα-helixtrans-64-46.6176-175.666.7000111.2A15 Q16 L17 T22 A23A15-L19 PolarHBondContact O-N 3.34Å; A15-L19 VanDerWaalsContact O-N 3.12Å; Q16-L19 WeakPolarHBondContact O-CB 3.25Å; Q16-L19 PolarHBondContact O-N 3.45Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 2.9Å; L19-T22 PolarHBondContact O-N 2.85Å; L19-A23 WeakPolarHBondContact O-CB 3.19Å; L19-A23 PolarHBondContact O-N 3.37Å
20Y70.8Confident69Low38 Ų3855.6 Ų55.615%0.14931%0.313CS..Hα-helixtrans-66-40.1178-61.3-38000112.5Q16 L17 A23 G24 I25 Q28 E32Q16-Y20 HydrophobicContact CG-CD2 4.27Å; Q16-Y20 HydrophobicContact CG-CE2 3.53Å; Q16-Y20 PolarHBondContact NE2-OH 3.27Å; Q16-Y20 WeakPolarHBondContact O-CD2 3.46Å; Q16-Y20 PolarHBondContact O-N 2.9Å; L17-Y20 PolarHBondContact O-N 2.91Å; Y20-A23 CarbonylContact O-C 3.6Å; Y20-A23 PolarHBondContact O-N 2.83Å; Y20-G24 PolarHBondContact O-N 3.31Å; Y20-G24 VanDerWaalsContact O-N 3.08Å; Y20-I25 HydrophobicContact CD1-CD1 4.39Å; Y20-I25 PolarHBondContact O-N 3.28Å; Y20-Q28 HydrophobicContact CD1-CB 4.21Å; Y20-Q28 HydrophobicContact CD1-CG 3.7Å; Y20-Q28 HydrophobicContact CD2-CB 4.22Å; Y20-Q28 HydrophobicContact CD2-CG 3.57Å; Y20-Q28 HydrophobicContact CE1-CB 4.42Å; Y20-Q28 HydrophobicContact CE1-CG 3.47Å; Y20-Q28 VanDerWaalsContact CE1-CG 3.47Å; Y20-Q28 HydrophobicContact CE2-CB 4.41Å; Y20-Q28 HydrophobicContact CE2-CG 3.31Å; Y20-Q28 HydrophobicContact CG-CB 4.1Å; Y20-Q28 HydrophobicContact CG-CG 3.74Å; Y20-Q28 PolarHBondContact OH-NE2 3.29Å; Y20-E32 HydrophobicContact CD2-CG 3.94Å; Y20-E32 HydrophobicContact CE2-CG 3.45Å; Y20-E32 VanDerWaalsContact CE2-CG 3.45Å; Y20-E32 WeakPolarHBondContact CE2-OE1 3.48Å; Y20-E32 PolarHBondContact OH-OE1 3.29Å
21L65.2Low69.2Low19 Ų1957.6 Ų57.610%0.09931%0.312CS..Hα-helixtrans-63.6-43.3175.6-72.4166.6000111.2L17 A23 G24 V29 L49 L56L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.09Å; L17-L21 WeakPolarHBondContact O-CD1 3.38Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.29Å; L21-A23 VanDerWaalsContact C-N 3.29Å; L21-A23 PolarHBondContact O-N 3.4Å; L21-G24 PolarHBondContact O-N 3.11Å; L21-V29 HydrophobicContact CD2-CG1 4.18Å; L21-V29 HydrophobicContact CD2-CG2 3.76Å; L21-V29 HydrophobicContact CG-CG2 3.76Å; L21-L49 HydrophobicContact CD1-CB 3.95Å; L21-L49 HydrophobicContact CD1-CD1 3.73Å; L21-L49 HydrophobicContact CD1-CG 4.46Å; L21-L49 HydrophobicContact CD2-CB 4.29Å; L21-L56 HydrophobicContact CD2-CD2 3.67Å
22T64.3Low69.2Low107 Ų10750.3 Ų50.366%0.65628%0.278SS*.Hα-helixtrans-66.3-33.4177.4-57.20000112D18 L19 G24D18-T22 VanDerWaalsContact O-CB 3.27Å; D18-T22 WeakPolarHBondContact O-CB 3.36Å; D18-T22 PolarHBondContact O-N 3.17Å; D18-T22 PolarHBondContact O-OG1 2.94Å; L19-T22 PolarHBondContact O-N 2.85Å; T22-G24 VanDerWaalsContact C-N 3.33Å
23A69.8Low68.9Low64 Ų6445.2 Ų45.253%0.52925%0.254SS..THydrogen-bonded Turntrans-82.5-4.7176.900000114.1L19 Y20 L21 I25L19-A23 WeakPolarHBondContact O-CB 3.19Å; L19-A23 PolarHBondContact O-N 3.37Å; Y20-A23 CarbonylContact O-C 3.6Å; Y20-A23 PolarHBondContact O-N 2.83Å; L21-A23 VanDerWaalsContact C-N 3.29Å; L21-A23 PolarHBondContact O-N 3.4Å; A23-I25 VanDerWaalsContact C-N 3.31Å; A23-I25 HydrophobicContact CB-CD1 3.65Å; A23-I25 HydrophobicContact CB-CG1 3.69Å; A23-I25 PolarHBondContact O-N 2.84Å
24G60.6Low68.7Low38 Ų3848.8 Ų48.839%0.39227%0.271SS..THydrogen-bonded Turntrans71.921.8-177.800000114.1Y20 L21 T22 G26 L56Y20-G24 PolarHBondContact O-N 3.31Å; Y20-G24 VanDerWaalsContact O-N 3.08Å; L21-G24 PolarHBondContact O-N 3.11Å; T22-G24 VanDerWaalsContact C-N 3.33Å; G24-G26 PolarHBondContact O-N 3.38Å; G24-G26 VanDerWaalsContact O-N 3.16Å; G24-L56 VanDerWaalsContact C-CD1 3.47Å
25I67Low68.9Low79 Ų7954.8 Ų54.841%0.40530%0.299SS..  trans-92.468.2-174.5-47.2173.3000109.7Y20 A23 E27 Q28 V29Y20-I25 HydrophobicContact CD1-CD1 4.39Å; Y20-I25 PolarHBondContact O-N 3.28Å; A23-I25 VanDerWaalsContact C-N 3.31Å; A23-I25 HydrophobicContact CB-CD1 3.65Å; A23-I25 HydrophobicContact CB-CG1 3.69Å; A23-I25 PolarHBondContact O-N 2.84Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.31Å; I25-Q28 HydrophobicContact CB-CB 4.23Å; I25-Q28 HydrophobicContact CG2-CB 3.45Å; I25-Q28 VanDerWaalsContact CG2-CB 3.45Å; I25-Q28 PolarHBondContact O-N 3.04Å; I25-V29 PolarHBondContact O-N 2.94Å
26G66.2Low68.7Low9 Ų953.7 Ų53.79%0.09329%0.288CS..Hα-helixtrans-60.3-35.9-172.900000114.2G24 Q28 V29 M30 L56G24-G26 PolarHBondContact O-N 3.38Å; G24-G26 VanDerWaalsContact O-N 3.16Å; G26-Q28 VanDerWaalsContact C-N 3.3Å; G26-Q28 PolarHBondContact O-N 3.08Å; G26-V29 WeakPolarHBondContact O-CB 3.42Å; G26-V29 PolarHBondContact O-N 3.19Å; G26-M30 WeakPolarHBondContact O-CG 3.46Å; G26-M30 PolarHBondContact O-N 3.49Å; G26-L56 VanDerWaalsContact N-CD1 3.27Å
27E66.9Low68.1Low122 Ų12253.8 Ų53.857%0.5729%0.292SS*.Hα-helixtrans-63.3-36.8175.9-66.2-172.2175.200112.9I25 M30 R31I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.31Å; E27-M30 PolarHBondContact O-N 2.89Å; E27-R31 WeakPolarHBondContact O-CG 3.1Å; E27-R31 PolarHBondContact O-N 3.16Å; E27-R31 IonicContact OE2-NH2 2.9Å; E27-R31 PolarHBondContact OE2-NH2 3.19Å
28Q67.3Low67.7Low36 Ų3660.4 Ų60.417%0.16832%0.323CS..Hα-helixtrans-73.4-37.2179.7-172.264.431.200110.8Y20 I25 G26 M30 R31 E32Y20-Q28 HydrophobicContact CD1-CB 4.21Å; Y20-Q28 HydrophobicContact CD1-CG 3.7Å; Y20-Q28 HydrophobicContact CD2-CB 4.22Å; Y20-Q28 HydrophobicContact CD2-CG 3.57Å; Y20-Q28 HydrophobicContact CE1-CB 4.42Å; Y20-Q28 HydrophobicContact CE1-CG 3.47Å; Y20-Q28 VanDerWaalsContact CE1-CG 3.47Å; Y20-Q28 HydrophobicContact CE2-CB 4.41Å; Y20-Q28 HydrophobicContact CE2-CG 3.31Å; Y20-Q28 HydrophobicContact CG-CB 4.1Å; Y20-Q28 HydrophobicContact CG-CG 3.74Å; Y20-Q28 PolarHBondContact OH-NE2 3.29Å; I25-Q28 HydrophobicContact CB-CB 4.23Å; I25-Q28 HydrophobicContact CG2-CB 3.45Å; I25-Q28 VanDerWaalsContact CG2-CB 3.45Å; I25-Q28 PolarHBondContact O-N 3.04Å; G26-Q28 VanDerWaalsContact C-N 3.3Å; G26-Q28 PolarHBondContact O-N 3.08Å; Q28-M30 VanDerWaalsContact C-N 3.31Å; Q28-M30 PolarHBondContact O-N 3.04Å; Q28-R31 PolarHBondContact O-N 3.04Å; Q28-E32 PolarHBondContact NE2-OE1 3.39Å; Q28-E32 WeakPolarHBondContact O-CG 3.25Å; Q28-E32 PolarHBondContact O-N 3.31Å
29V70.2Confident67.4Low3 Ų358.5 Ų58.52%0.01831%0.313CS..Hα-helixtrans-53.3-51.1168.5171.20000109.9L17 L21 I25 G26 R31 E32 L33 L50L17-V29 HydrophobicContact CD2-CB 4.35Å; L17-V29 HydrophobicContact CD2-CG1 4.01Å; L21-V29 HydrophobicContact CD2-CG1 4.18Å; L21-V29 HydrophobicContact CD2-CG2 3.76Å; L21-V29 HydrophobicContact CG-CG2 3.76Å; I25-V29 PolarHBondContact O-N 2.94Å; G26-V29 WeakPolarHBondContact O-CB 3.42Å; G26-V29 PolarHBondContact O-N 3.19Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.18Å; V29-E32 PolarHBondContact O-N 3.44Å; V29-L33 HydrophobicContact CG1-CD1 3.94Å; V29-L33 HydrophobicContact CG1-CG 4.38Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.16Å; V29-L33 PolarHBondContact O-N 3.07Å; V29-L50 HydrophobicContact CG1-CD2 3.88Å
30M68.9Low66.7Low12 Ų1254.1 Ų54.16%0.05929%0.29CS..Hα-helixtrans-62.1-38.2179-63.6-55-60.400112.8G26 E27 Q28 L33 Q34 L58 M61 N62 L63G26-M30 WeakPolarHBondContact O-CG 3.46Å; G26-M30 PolarHBondContact O-N 3.49Å; E27-M30 PolarHBondContact O-N 2.89Å; Q28-M30 VanDerWaalsContact C-N 3.31Å; Q28-M30 PolarHBondContact O-N 3.04Å; M30-L33 PolarHBondContact O-N 3.28Å; M30-L33 HydrophobicContact SD-CD1 4.13Å; M30-Q34 WeakPolarHBondContact O-CG 3.46Å; M30-Q34 PolarHBondContact O-N 2.81Å; M30-L58 HydrophobicContact CG-CD2 4.43Å; M30-L58 HydrophobicContact SD-CD1 4.36Å; M30-M61 HydrophobicContact CE-CG 4.14Å; M30-N62 WeakPolarHBondContact CE-O 3.33Å; M30-L63 HydrophobicContact CE-CD2 3.67Å; M30-L63 HydrophobicContact CE-CG 4.2Å
31R69.5Low66.1Low115 Ų11554.7 Ų54.743%0.43430%0.3SS..Hα-helixtrans-63.2-43175.4-74179.8-145.5145.54112.7E27 Q28 V29 Q34 Q35E27-R31 WeakPolarHBondContact O-CG 3.1Å; E27-R31 PolarHBondContact O-N 3.16Å; E27-R31 IonicContact OE2-NH2 2.9Å; E27-R31 PolarHBondContact OE2-NH2 3.19Å; Q28-R31 PolarHBondContact O-N 3.04Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.18Å; R31-Q34 WeakPolarHBondContact O-CB 3.36Å; R31-Q34 PolarHBondContact O-N 3.33Å; R31-Q35 WeakPolarHBondContact O-CG 3.41Å; R31-Q35 PolarHBondContact O-N 3Å; R31-Q35 VanDerWaalsContact O-N 3.17Å
32E69.6Low65.4Low6 Ų658.3 Ų58.33%0.02832%0.322CS..Hα-helixtrans-67.4-39.8176.4-60.1-62.6157.300111.1R8 L13 Q16 L17 Y20 Q28 V29 Q34 Q35 S36R8-E32 IonicContact NH1-OE2 2.8Å; R8-E32 PolarHBondContact NH1-OE2 2.99Å; L13-E32 HydrophobicContact CD1-CB 4.46Å; Q16-E32 PolarHBondContact NE2-OE1 3.47Å; L17-E32 HydrophobicContact CD2-CB 3.77Å; L17-E32 HydrophobicContact CD2-CG 4.32Å; L17-E32 HydrophobicContact CG-CB 4.5Å; Y20-E32 HydrophobicContact CD2-CG 3.94Å; Y20-E32 HydrophobicContact CE2-CG 3.45Å; Y20-E32 VanDerWaalsContact CE2-CG 3.45Å; Y20-E32 WeakPolarHBondContact CE2-OE1 3.48Å; Y20-E32 PolarHBondContact OH-OE1 3.29Å; Q28-E32 PolarHBondContact NE2-OE1 3.39Å; Q28-E32 WeakPolarHBondContact O-CG 3.25Å; Q28-E32 PolarHBondContact O-N 3.31Å; V29-E32 PolarHBondContact O-N 3.44Å; E32-Q34 PolarHBondContact O-N 3.44Å; E32-Q35 CarbonylContact O-C 3.51Å; E32-Q35 PolarHBondContact O-N 3.19Å; E32-S36 PolarHBondContact O-N 3.03Å
33L69.8Low64.9Low9 Ų956.1 Ų56.15%0.04731%0.305CS..Hα-helixtrans-61.8-31.8176.2-67.5175.5000112.4L17 V29 M30 S36 P37 L40 L50L17-L33 HydrophobicContact CD1-CD2 4.01Å; L17-L33 HydrophobicContact CD2-CD2 4.36Å; L17-L33 HydrophobicContact CD2-CG 4.37Å; V29-L33 HydrophobicContact CG1-CD1 3.94Å; V29-L33 HydrophobicContact CG1-CG 4.38Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.16Å; V29-L33 PolarHBondContact O-N 3.07Å; M30-L33 PolarHBondContact O-N 3.28Å; M30-L33 HydrophobicContact SD-CD1 4.13Å; L33-S36 CarbonylContact O-C 3.19Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-P37 VanDerWaalsContact O-CA 3.29Å; L33-P37 WeakPolarHBondContact O-CA 3.3Å; L33-P37 VanDerWaalsContact O-N 3.14Å; L33-L40 HydrophobicContact CD1-CD1 4.48Å; L33-L40 HydrophobicContact CD1-CD2 4.01Å; L33-L40 HydrophobicContact CD1-CG 4.45Å; L33-L40 HydrophobicContact CD2-CD2 3.83Å; L33-L40 HydrophobicContact CD2-CG 3.93Å; L33-L40 HydrophobicContact CG-CD2 4.48Å; L33-L50 HydrophobicContact CD1-CD1 4.26Å; L33-L50 HydrophobicContact CD1-CD2 4.44Å
34Q66.9Low63.7Low81 Ų8158.3 Ų58.338%0.37931%0.305SS..Hα-helixtrans-69.9-38171.7-73.4175.2-27.300113M30 R31 E32 S36 N62M30-Q34 WeakPolarHBondContact O-CG 3.46Å; M30-Q34 PolarHBondContact O-N 2.81Å; R31-Q34 WeakPolarHBondContact O-CB 3.36Å; R31-Q34 PolarHBondContact O-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.44Å; Q34-S36 PolarHBondContact O-N 3.2Å; Q34-N62 PolarHBondContact NE2-ND2 3.29Å; Q34-N62 PolarHBondContact NE2-OD1 3.3Å
35Q71.2Confident63.1Low133 Ų13364.8 Ų64.862%0.62133%0.325SS*.Hα-helixtrans-72.5-20.2177.1-69-179.914.500111.9R31 E32R31-Q35 WeakPolarHBondContact O-CG 3.41Å; R31-Q35 PolarHBondContact O-N 3Å; R31-Q35 VanDerWaalsContact O-N 3.17Å; E32-Q35 CarbonylContact O-C 3.51Å; E32-Q35 PolarHBondContact O-N 3.19Å
36S70.6Confident62.4Low37 Ų3764.2 Ų64.226%0.25932%0.318SS..  trans-141.868.4-178.9-630000111.3L13 E32 L33 Q34 E38 V39L13-S36 WeakPolarHBondContact CD1-OG 3.44Å; E32-S36 PolarHBondContact O-N 3.03Å; L33-S36 CarbonylContact O-C 3.19Å; L33-S36 PolarHBondContact O-N 3.2Å; Q34-S36 PolarHBondContact O-N 3.2Å; S36-E38 PolarHBondContact O-N 3.45Å; S36-E38 VanDerWaalsContact O-N 3.08Å; S36-V39 WeakPolarHBondContact O-CB 3.38Å; S36-V39 PolarHBondContact O-N 2.8Å
37P63.8Low61.9Low46 Ų4664.7 Ų64.730%0.29932%0.317SS..THydrogen-bonded Turntrans-62.8-20.5-176.526.2-34.9000112.8L33 V39 L40 T66L33-P37 VanDerWaalsContact O-CA 3.29Å; L33-P37 WeakPolarHBondContact O-CA 3.3Å; L33-P37 VanDerWaalsContact O-N 3.14Å; P37-V39 PolarHBondContact O-N 3.44Å; P37-L40 PolarHBondContact O-N 3.45Å; P37-T66 HydrophobicContact CB-CG2 4.46Å
38E62.5Low61.7Low147 Ų14763 Ų6369%0.68731%0.312SS*.Hα-helixtrans-62.8-28.6174.8-56.9-150.7-174.800112.5S36 L40 S41 V42S36-E38 PolarHBondContact O-N 3.45Å; S36-E38 VanDerWaalsContact O-N 3.08Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 3.26Å; E38-S41 WeakPolarHBondContact O-CA 3.49Å; E38-S41 WeakPolarHBondContact O-CB 3.13Å; E38-S41 PolarHBondContact O-N 3.27Å; E38-S41 PolarHBondContact O-OG 3.48Å; E38-V42 WeakPolarHBondContact O-CG2 3.22Å; E38-V42 PolarHBondContact O-N 3.42Å; E38-V42 VanDerWaalsContact O-N 3.12Å
39V61.9Low61.3Low13 Ų1363.7 Ų63.78%0.07932%0.317CS..Hα-helixtrans-64.8-34.1-178.9175.70000112.6T10 L13 L14 L17 S36 P37 S41 V42 E43T10-V39 HydrophobicContact CG2-CG2 4.14Å; L13-V39 HydrophobicContact CD2-CB 4.02Å; L13-V39 HydrophobicContact CD2-CG1 4.2Å; L13-V39 HydrophobicContact CD2-CG2 3.38Å; L14-V39 HydrophobicContact CD2-CG1 3.6Å; L14-V39 HydrophobicContact CG-CG1 4.46Å; L17-V39 HydrophobicContact CD1-CG1 4.03Å; S36-V39 WeakPolarHBondContact O-CB 3.38Å; S36-V39 PolarHBondContact O-N 2.8Å; P37-V39 PolarHBondContact O-N 3.44Å; V39-S41 PolarHBondContact O-N 3.19Å; V39-V42 PolarHBondContact O-N 3.02Å; V39-E43 PolarHBondContact O-N 3.32Å
40L58.7Low61.2Low22 Ų2264.3 Ų64.312%0.11532%0.32CS..Hα-helixtrans-66.8-25.4171.7-70.6177.1000112.9L33 P37 E38 L50 L63 T66L33-L40 HydrophobicContact CD1-CD1 4.48Å; L33-L40 HydrophobicContact CD1-CD2 4.01Å; L33-L40 HydrophobicContact CD1-CG 4.45Å; L33-L40 HydrophobicContact CD2-CD2 3.83Å; L33-L40 HydrophobicContact CD2-CG 3.93Å; L33-L40 HydrophobicContact CG-CD2 4.48Å; P37-L40 PolarHBondContact O-N 3.45Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 3.26Å; L40-L50 HydrophobicContact CD2-CD1 4.05Å; L40-L63 HydrophobicContact CD1-CD2 4.23Å; L40-T66 HydrophobicContact CD1-CG2 3.69Å
41S57.8Low61Low51 Ų5166.2 Ų66.236%0.35733%0.329SS..Hα-helixtrans-81-25.3177.2780000112.9E38 V39E38-S41 WeakPolarHBondContact O-CA 3.49Å; E38-S41 WeakPolarHBondContact O-CB 3.13Å; E38-S41 PolarHBondContact O-N 3.27Å; E38-S41 PolarHBondContact O-OG 3.48Å; V39-S41 PolarHBondContact O-N 3.19Å
42V49.7Very low61.1Low94 Ų9463.2 Ų63.257%0.5732%0.322SS*.Hα-helixtrans-94.2-35.2-170.3176.70000112.7E38 V39E38-V42 WeakPolarHBondContact O-CG2 3.22Å; E38-V42 PolarHBondContact O-N 3.42Å; E38-V42 VanDerWaalsContact O-N 3.12Å; V39-V42 PolarHBondContact O-N 3.02Å
43E53.3Low61Low62 Ų6265.8 Ų65.829%0.2933%0.334SS..  trans-125.582.5-175.2-65.1-162.516800114L14 V39 E45 R46L14-E43 VanDerWaalsContact CD1-CD 3.42Å; L14-E43 WeakPolarHBondContact CD1-OE1 3.21Å; L14-E43 WeakPolarHBondContact CD1-OE2 3.14Å; L14-E43 VanDerWaalsContact CD2-OE2 3.25Å; L14-E43 WeakPolarHBondContact CD2-OE2 3.37Å; V39-E43 PolarHBondContact O-N 3.32Å; E43-E45 PolarHBondContact O-N 3.24Å; E43-R46 PolarHBondContact O-N 3.38Å; E43-R46 WeakPolarHBondContact OE2-CD 3.42Å; E43-R46 IonicContact OE2-CZ 2.94Å; E43-R46 IonicContact OE2-NE 3.37Å; E43-R46 PolarHBondContact OE2-NE 3.41Å
44M45.7Very low61Low110 Ų11075.5 Ų75.554%0.54237%0.37SS..G310 helixtrans-60.7-14.6164.2-81.7-171.173.900113.4Y47 L150M44-Y47 WeakPolarHBondContact O-CB 3.33Å; M44-Y47 PolarHBondContact O-N 2.89Å; M44-L150 HydrophobicContact CE-CD2 4.29Å
45E47.2Very low61.1Low173 Ų17378.6 Ų78.681%0.80838%0.378SS*.G310 helixtrans-72.5-26.2179-70.4-173.116800113E43 Y47E43-E45 PolarHBondContact O-N 3.24Å; E45-Y47 VanDerWaalsContact C-N 3.31Å
46R52.7Low61.1Low68 Ų6872.4 Ų72.426%0.25735%0.349SS..G310 helixtrans-89.1-2.8177.5-64.5-175.5-179.6-135.1-9.2113.7L14 D18 E43 D48 L49L14-R46 PolarHBondContact O-NH1 3Å; D18-R46 IonicContact OD1-CZ 3.54Å; D18-R46 IonicContact OD1-NH1 3.25Å; D18-R46 PolarHBondContact OD1-NH1 3.38Å; D18-R46 IonicContact OD1-NH2 3.69Å; D18-R46 IonicContact OD2-CZ 2.92Å; D18-R46 VanDerWaalsContact OD2-CZ 3.25Å; D18-R46 IonicContact OD2-NH1 2.69Å; D18-R46 PolarHBondContact OD2-NH1 3.28Å; D18-R46 IonicContact OD2-NH2 3.69Å; D18-R46 PolarHBondContact OD2-NH2 3.01Å; E43-R46 PolarHBondContact O-N 3.38Å; E43-R46 WeakPolarHBondContact OE2-CD 3.42Å; E43-R46 IonicContact OE2-CZ 2.94Å; E43-R46 IonicContact OE2-NE 3.37Å; E43-R46 PolarHBondContact OE2-NE 3.41Å; R46-D48 PolarHBondContact O-N 3.28Å; R46-L49 PolarHBondContact O-N 3.33Å
47Y56.8Low61.4Low19 Ų1974.1 Ų74.18%0.07536%0.359CS..Hα-helixtrans-53.3-34.8172.2-136.5-90.6000110.5M44 E45 L49 L50 M51 L68 C72 L76M44-Y47 WeakPolarHBondContact O-CB 3.33Å; M44-Y47 PolarHBondContact O-N 2.89Å; E45-Y47 VanDerWaalsContact C-N 3.31Å; Y47-L49 VanDerWaalsContact C-N 3.26Å; Y47-L49 PolarHBondContact O-N 3.43Å; Y47-L50 CarbonylContact O-C 3.59Å; Y47-L50 PolarHBondContact O-N 2.9Å; Y47-M51 HydrophobicContact CD1-CE 3.61Å; Y47-M51 HydrophobicContact CD1-CG 3.74Å; Y47-M51 HydrophobicContact CD1-SD 4.2Å; Y47-M51 HydrophobicContact CE1-CE 3.39Å; Y47-M51 HydrophobicContact CE1-CG 4.24Å; Y47-M51 HydrophobicContact CE1-SD 4.11Å; Y47-M51 VanDerWaalsContact O-CB 3.3Å; Y47-M51 WeakPolarHBondContact O-CB 3.46Å; Y47-M51 WeakPolarHBondContact O-CG 3.36Å; Y47-M51 PolarHBondContact O-N 3.36Å; Y47-L68 HydrophobicContact CE2-CD1 3.88Å; Y47-L68 VanDerWaalsContact OH-CD1 3.32Å; Y47-L68 WeakPolarHBondContact OH-CD1 3.43Å; Y47-C72 HydrophobicContact CE1-CB 4.28Å; Y47-C72 HydrophobicContact CE2-CB 4.02Å; Y47-C72 WeakPolarHBondContact OH-CA 3.46Å; Y47-C72 WeakPolarHBondContact OH-CB 3.4Å; Y47-C72 PolarHBondContact OH-O 3.27Å; Y47-L76 HydrophobicContact CE1-CD2 4.14Å; Y47-L76 HydrophobicContact CE1-CG 3.94Å; Y47-L76 WeakPolarHBondContact OH-CD1 3.29Å; Y47-L76 VanDerWaalsContact OH-CG 3.29Å; Y47-L76 WeakPolarHBondContact OH-CG 3.17Å
48D61.3Low62.3Low87 Ų8772.2 Ų72.247%0.46535%0.347SS..Hα-helixtrans-55.5-34175.7-73-5.7000114.4R46 M51R46-D48 PolarHBondContact O-N 3.28Å; D48-M51 CarbonylContact O-C 3.56Å; D48-M51 PolarHBondContact O-N 3.12Å
49L60Low63.6Low50 Ų5068.8 Ų68.826%0.26234%0.336SS..Hα-helixtrans-78.2-40179.5-70.6169.8000111.9L21 R46 Y47 M51 N52L21-L49 HydrophobicContact CD1-CB 3.95Å; L21-L49 HydrophobicContact CD1-CD1 3.73Å; L21-L49 HydrophobicContact CD1-CG 4.46Å; L21-L49 HydrophobicContact CD2-CB 4.29Å; R46-L49 PolarHBondContact O-N 3.33Å; Y47-L49 VanDerWaalsContact C-N 3.26Å; Y47-L49 PolarHBondContact O-N 3.43Å; L49-M51 PolarHBondContact O-N 3.35Å; L49-N52 PolarHBondContact O-N 3.22Å
50L66.5Low64.8Low15 Ų1571 Ų718%0.07935%0.349CS..Hα-helixtrans-65.2-29169.6-69.4174000111V29 L33 L40 Y47 N52 L56 L76 H80V29-L50 HydrophobicContact CG1-CD2 3.88Å; L33-L50 HydrophobicContact CD1-CD1 4.26Å; L33-L50 HydrophobicContact CD1-CD2 4.44Å; L40-L50 HydrophobicContact CD2-CD1 4.05Å; Y47-L50 CarbonylContact O-C 3.59Å; Y47-L50 PolarHBondContact O-N 2.9Å; L50-N52 PolarHBondContact O-N 2.62Å; L50-L56 HydrophobicContact CD2-CD2 4.45Å; L50-L76 HydrophobicContact CB-CD2 3.74Å; L50-H80 PolarHBondContact O-NE2 3.5Å
51M66.1Low66.2Low53 Ų5370.1 Ų70.126%0.26134%0.344SS..THydrogen-bonded Turntrans-82.419.7175.6-66.5-63.2-142.800113.6Y47 D48 L49 L76 E79Y47-M51 HydrophobicContact CD1-CE 3.61Å; Y47-M51 HydrophobicContact CD1-CG 3.74Å; Y47-M51 HydrophobicContact CD1-SD 4.2Å; Y47-M51 HydrophobicContact CE1-CE 3.39Å; Y47-M51 HydrophobicContact CE1-CG 4.24Å; Y47-M51 HydrophobicContact CE1-SD 4.11Å; Y47-M51 VanDerWaalsContact O-CB 3.3Å; Y47-M51 WeakPolarHBondContact O-CB 3.46Å; Y47-M51 WeakPolarHBondContact O-CG 3.36Å; Y47-M51 PolarHBondContact O-N 3.36Å; D48-M51 CarbonylContact O-C 3.56Å; D48-M51 PolarHBondContact O-N 3.12Å; L49-M51 PolarHBondContact O-N 3.35Å; M51-L76 HydrophobicContact SD-CD2 3.97Å; M51-L76 HydrophobicContact SD-CG 4.41Å; M51-E79 VanDerWaalsContact C-CG 3.43Å; M51-E79 VanDerWaalsContact O-CG 3.29Å; M51-E79 WeakPolarHBondContact O-CG 3.33Å; M51-E79 HydrophobicContact SD-CB 4.12Å
52N70.3Confident67.6Low52 Ų5269.7 Ų69.728%0.27834%0.338SS..  trans-120.785175.3-165.8-29.5000111.6L49 L50 R54 R55 L56L49-N52 PolarHBondContact O-N 3.22Å; L50-N52 PolarHBondContact O-N 2.62Å; N52-R54 PolarHBondContact O-N 3.37Å; N52-R54 VanDerWaalsContact O-N 3.1Å; N52-R54 WeakPolarHBondContact OD1-CB 3.38Å; N52-R54 PolarHBondContact OD1-N 3.13Å; N52-R55 HydrophobicContact CB-CB 4.42Å; N52-R55 HydrophobicContact CB-CG 4.48Å; N52-R55 WeakPolarHBondContact ND2-CD 3.29Å; N52-R55 PolarHBondContact O-N 2.98Å; N52-R55 PolarHBondContact OD1-N 3.06Å; N52-L56 PolarHBondContact O-N 3.1Å
53H68.9Low69.4Low60 Ų6065.4 Ų65.428%0.27831%0.312SS..THydrogen-bonded Turntrans-59.5-24.8-179.871-85.9000113.2R55 L56 P57 E79H53-R55 VanDerWaalsContact C-N 3.33Å; H53-L56 CarbonylContact O-C 3.56Å; H53-P57 WeakPolarHBondContact O-CA 3.47Å; H53-P57 WeakPolarHBondContact O-CD 3.49Å; H53-P57 VanDerWaalsContact O-N 3.16Å; H53-E79 HydrophobicContact CB-CG 4.1Å; H53-E79 WeakPolarHBondContact CB-O 3.43Å; H53-E79 IonicContact CE1-OE1 2.83Å; H53-E79 IonicContact CG-OE1 3.8Å; H53-E79 PolarHBondContact N-OE1 3.42Å; H53-E79 IonicContact ND1-OE1 3.6Å; H53-E79 PolarHBondContact ND1-OE1 3.4Å; H53-E79 IonicContact ND1-OE2 4Å
54R69.8Low71Confident213 Ų21364.6 Ų64.680%0.80431%0.313SS*.THydrogen-bonded Turntrans-70.9-30178.5-62.2-174.9176.9-1760.1112.5N52N52-R54 PolarHBondContact O-N 3.37Å; N52-R54 VanDerWaalsContact O-N 3.1Å; N52-R54 WeakPolarHBondContact OD1-CB 3.38Å; N52-R54 PolarHBondContact OD1-N 3.13Å
55R67.8Low72.8Confident146 Ų14661.2 Ų61.255%0.55131%0.307SS*.THydrogen-bonded Turntrans-90.8-28.6176.9-62.3-173.789.8-1724.7111.8N52 H53N52-R55 HydrophobicContact CB-CB 4.42Å; N52-R55 HydrophobicContact CB-CG 4.48Å; N52-R55 WeakPolarHBondContact ND2-CD 3.29Å; N52-R55 PolarHBondContact O-N 2.98Å; N52-R55 PolarHBondContact OD1-N 3.06Å; H53-R55 VanDerWaalsContact C-N 3.33Å
56L72.4Confident74.4Confident2 Ų253.1 Ų53.11%0.0127%0.269CS..  trans-144.873.3-172.9-159.376.9000111.8L21 G24 G26 L50 N52 H53 L58 H80L21-L56 HydrophobicContact CD2-CD2 3.67Å; G24-L56 VanDerWaalsContact C-CD1 3.47Å; G26-L56 VanDerWaalsContact N-CD1 3.27Å; L50-L56 HydrophobicContact CD2-CD2 4.45Å; N52-L56 PolarHBondContact O-N 3.1Å; H53-L56 CarbonylContact O-C 3.56Å; L56-L58 HydrophobicContact CD2-CD2 3.99Å; L56-L58 HydrophobicContact CG-CD2 4.14Å; L56-L58 PolarHBondContact O-N 2.63Å; L56-H80 PolarHBondContact O-CE1 3.39Å
57P76.3Confident75.8Confident74 Ų7453.8 Ų53.848%0.48128%0.275SS..  trans-65.4108.9178.427-33.3000109.6H53 T83H53-P57 WeakPolarHBondContact O-CA 3.47Å; H53-P57 WeakPolarHBondContact O-CD 3.49Å; H53-P57 VanDerWaalsContact O-N 3.16Å; P57-T83 HydrophobicContact CB-CG2 3.83Å
58L83.3Confident77Confident6 Ų653.2 Ų53.23%0.03127%0.273CS..  trans-83122177.1-63.7178.5000109.1M30 L56 M61 H80 T83 L84M30-L58 HydrophobicContact CG-CD2 4.43Å; M30-L58 HydrophobicContact SD-CD1 4.36Å; L56-L58 HydrophobicContact CD2-CD2 3.99Å; L56-L58 HydrophobicContact CG-CD2 4.14Å; L56-L58 PolarHBondContact O-N 2.63Å; L58-M61 HydrophobicContact CD1-CE 3.68Å; L58-H80 HydrophobicContact CB-CB 4.48Å; L58-H80 PolarHBondContact N-ND1 2.98Å; L58-T83 CarbonylContact O-C 3.59Å; L58-T83 WeakPolarHBondContact O-CB 3.41Å; L58-T83 PolarHBondContact O-OG1 3.45Å; L58-L84 HydrophobicContact CB-CD1 4.12Å; L58-L84 PolarHBondContact O-N 3.37Å
59V88.1Confident78.2Confident75 Ų7551.1 Ų51.146%0.45527%0.265SS..SBendtrans-92.1-33.9171.41790000110.7T85 C86V59-T85 HydrophobicContact CG1-CG2 4.1Å; V59-T85 VanDerWaalsContact CG1-OG1 3.25Å; V59-T85 WeakPolarHBondContact CG1-OG1 3.44Å; V59-T85 PolarHBondContact O-N 3.02Å; V59-T85 PolarHBondContact O-OG1 2.71Å; V59-T85 VanDerWaalsContact O-OG1 3.07Å; V59-C86 PolarHBondContact O-N 2.73Å; V59-C86 VanDerWaalsContact O-N 3.17Å
60T87.6Confident79.5Confident60 Ų6049.5 Ų49.537%0.36826%0.257SS..EExtended strand (participates in β ladder)trans-126.1131.6177.8-620000109C86T60-C86 WeakPolarHBondContact CA-O 3.45Å; T60-C86 HydrophobicContact CG2-CB 3.97Å
61M88.9Confident80.5Confident2 Ų252.8 Ų52.81%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-129.2105.1177.8177.5-179.7-67.400108.8M30 L58 L63 L76 L77 H80 L84 C86 L87 N88M30-M61 HydrophobicContact CE-CG 4.14Å; L58-M61 HydrophobicContact CD1-CE 3.68Å; M61-L63 HydrophobicContact CG-CD1 3.68Å; M61-L63 HydrophobicContact CG-CD2 4.35Å; M61-L63 HydrophobicContact CG-CG 3.74Å; M61-L63 HydrophobicContact SD-CD1 3.67Å; M61-L63 HydrophobicContact SD-CG 4.38Å; M61-L76 HydrophobicContact CE-CB 3.93Å; M61-L76 HydrophobicContact SD-CB 4.16Å; M61-L76 HydrophobicContact SD-CD1 4.48Å; M61-L77 HydrophobicContact SD-CD2 4.25Å; M61-H80 HydrophobicContact CE-CB 4.4Å; M61-L84 HydrophobicContact CB-CD1 3.53Å; M61-L84 HydrophobicContact CB-CD2 4.26Å; M61-L84 HydrophobicContact CB-CG 4.43Å; M61-L84 HydrophobicContact CE-CD1 4Å; M61-C86 PolarHBondContact N-O 2.95Å; M61-L87 HydrophobicContact CB-CD1 4.22Å; M61-L87 HydrophobicContact CG-CD1 4.07Å; M61-L87 WeakPolarHBondContact O-CA 3.25Å; M61-L87 HydrophobicContact SD-CD1 4.02Å; M61-N88 PolarHBondContact O-N 3.41Å
62N86.4Confident81.4Confident42 Ų4250.9 Ų50.923%0.22527%0.269CS..EExtended strand (participates in β ladder)trans-107.6108.1174.7-172.2-21.1000110.1M30 Q34 S64 N88M30-N62 WeakPolarHBondContact CE-O 3.33Å; Q34-N62 PolarHBondContact NE2-ND2 3.29Å; Q34-N62 PolarHBondContact NE2-OD1 3.3Å; N62-S64 WeakPolarHBondContact OD1-CB 3.27Å; N62-S64 PolarHBondContact OD1-N 3.17Å; N62-S64 PolarHBondContact OD1-OG 3.37Å; N62-S64 VanDerWaalsContact OD1-OG 3.06Å; N62-N88 HydrophobicContact CB-CB 4.16Å
63L88.1Confident82.3Confident5 Ų548.4 Ų48.43%0.02626%0.256CS..  trans-11418.4-178.8-61.2168.9000111.1M30 L40 M61 G65 T66 L68 L73 L76 N88 I89 C92M30-L63 HydrophobicContact CE-CD2 3.67Å; M30-L63 HydrophobicContact CE-CG 4.2Å; L40-L63 HydrophobicContact CD1-CD2 4.23Å; M61-L63 HydrophobicContact CG-CD1 3.68Å; M61-L63 HydrophobicContact CG-CD2 4.35Å; M61-L63 HydrophobicContact CG-CG 3.74Å; M61-L63 HydrophobicContact SD-CD1 3.67Å; M61-L63 HydrophobicContact SD-CG 4.38Å; L63-G65 PolarHBondContact O-N 2.97Å; L63-T66 HydrophobicContact CB-CG2 4.31Å; L63-T66 VanDerWaalsContact O-CB 3.31Å; L63-T66 WeakPolarHBondContact O-CB 3.29Å; L63-T66 WeakPolarHBondContact O-CG2 3.04Å; L63-T66 PolarHBondContact O-N 3.26Å; L63-T66 PolarHBondContact O-OG1 3.49Å; L63-L68 HydrophobicContact CD1-CD2 3.79Å; L63-L73 HydrophobicContact CD1-CD1 3.81Å; L63-L76 HydrophobicContact CD1-CD1 4.22Å; L63-N88 WeakPolarHBondContact CA-O 3.39Å; L63-N88 PolarHBondContact N-O 3.37Å; L63-I89 HydrophobicContact CB-CG2 4.32Å; L63-I89 HydrophobicContact CD1-CG2 4.34Å; L63-C92 PolarHBondContact O-SG 3.38Å
64S87.1Confident83.3Confident44 Ų4446 Ų4631%0.30825%0.246SC..THydrogen-bonded Turntrans-56.4135.7-176.766.70000111.7N62 T66 N88 A90N62-S64 WeakPolarHBondContact OD1-CB 3.27Å; N62-S64 PolarHBondContact OD1-N 3.17Å; N62-S64 PolarHBondContact OD1-OG 3.37Å; N62-S64 VanDerWaalsContact OD1-OG 3.06Å; S64-T66 PolarHBondContact O-N 3.02Å; S64-N88 WeakPolarHBondContact CB-OD1 3.31Å; S64-A90 CarbonylContact C-O 3.59Å; S64-A90 WeakPolarHBondContact CA-O 3.49Å
65G84.1Confident84.1Confident40 Ų4036.6 Ų36.641%0.41222%0.216SC..THydrogen-bonded Turntrans71.84.4177.800000114.9L63 A90L63-G65 PolarHBondContact O-N 2.97Å; G65-A90 PolarHBondContact N-O 2.95Å
66T80.9Confident85Confident3 Ų329.9 Ų29.92%0.01819%0.191CC..  trans-76.5163.3178.965.50000112.1P37 L40 L63 S64 L68 C92 A93P37-T66 HydrophobicContact CB-CG2 4.46Å; L40-T66 HydrophobicContact CD1-CG2 3.69Å; L63-T66 HydrophobicContact CB-CG2 4.31Å; L63-T66 VanDerWaalsContact O-CB 3.31Å; L63-T66 WeakPolarHBondContact O-CB 3.29Å; L63-T66 WeakPolarHBondContact O-CG2 3.04Å; L63-T66 PolarHBondContact O-N 3.26Å; L63-T66 PolarHBondContact O-OG1 3.49Å; S64-T66 PolarHBondContact O-N 3.02Å; T66-L68 VanDerWaalsContact C-N 3.28Å; T66-L68 PolarHBondContact O-N 2.95Å; T66-C92 WeakPolarHBondContact O-CA 3.32Å; T66-A93 PolarHBondContact O-N 3.46Å
67Q81Confident85.9Confident81 Ų8129.8 Ų29.838%0.37919%0.191SC..  trans-93.827.6176.3-62.6-69.3-4.400112.4C69 R94Q67-C69 PolarHBondContact O-N 3.05Å; Q67-R94 HydrophobicContact CB-CG 4.41Å; Q67-R94 VanDerWaalsContact O-CD 3.28Å; Q67-R94 WeakPolarHBondContact O-CD 3.16Å
68L82.2Confident86.6Confident7 Ų731 Ų314%0.03719%0.191CC..  trans-66.5133.4-176.1-155.567.2000111.6Y47 L63 T66 C72 L73 L76 R94 L95Y47-L68 HydrophobicContact CE2-CD1 3.88Å; Y47-L68 VanDerWaalsContact OH-CD1 3.32Å; Y47-L68 WeakPolarHBondContact OH-CD1 3.43Å; L63-L68 HydrophobicContact CD1-CD2 3.79Å; T66-L68 VanDerWaalsContact C-N 3.28Å; T66-L68 PolarHBondContact O-N 2.95Å; L68-C72 HydrophobicContact CD1-CB 3.52Å; L68-C72 HydrophobicContact CD2-CB 4.38Å; L68-C72 HydrophobicContact CG-CB 3.65Å; L68-L73 HydrophobicContact CD2-CB 3.73Å; L68-L73 HydrophobicContact CD2-CD1 4.14Å; L68-L73 HydrophobicContact CG-CB 4.44Å; L68-L76 HydrophobicContact CD2-CD1 3.92Å; L68-R94 CarbonylContact O-C 3.53Å; L68-R94 WeakPolarHBondContact O-CB 3.34Å; L68-L95 WeakPolarHBondContact O-CD2 3.26Å
69C85.7Confident86.8Confident44 Ų4433.3 Ų33.330%0.29720%0.202SC..  trans-86.2166.7172.972.60000111.8Q67 T71 C72 L73Q67-C69 PolarHBondContact O-N 3.05Å; C69-T71 VanDerWaalsContact C-N 3.34Å; C69-T71 PolarHBondContact O-N 3.08Å; C69-T71 PolarHBondContact SG-OG1 3.3Å; C69-C72 WeakPolarHBondContact O-CB 3.35Å; C69-C72 PolarHBondContact O-N 2.71Å; C69-C72 VanDerWaalsContact SG-CB 3.58Å; C69-C72 PolarHBondContact SG-SG 3Å; C69-L73 PolarHBondContact O-N 3.38Å
70D87.2Confident86.9Confident15 Ų1529.7 Ų29.78%0.0818%0.18CC..Hα-helixtrans-59.5-39.9-173.3-54.6-42.8000113.9A74 L95 S96 V99 L102D70-A74 WeakPolarHBondContact O-CB 3.38Å; D70-A74 PolarHBondContact O-N 3.14Å; D70-L95 VanDerWaalsContact OD1-CA 3.26Å; D70-L95 WeakPolarHBondContact OD1-CA 3.41Å; D70-S96 PolarHBondContact OD1-N 3.48Å; D70-S96 WeakPolarHBondContact OD2-CB 3.39Å; D70-S96 PolarHBondContact OD2-OG 3.01Å; D70-V99 HydrophobicContact CB-CB 4.33Å; D70-L102 HydrophobicContact CB-CD1 3.62Å
71T87.5Confident87.1Confident84 Ų8427.9 Ų27.952%0.51517%0.171SC..Hα-helixtrans-69.6-38.9-179.451.20000111.6C69 A74 G75 L102C69-T71 VanDerWaalsContact C-N 3.34Å; C69-T71 PolarHBondContact O-N 3.08Å; C69-T71 PolarHBondContact SG-OG1 3.3Å; T71-A74 PolarHBondContact O-N 2.88Å; T71-G75 PolarHBondContact O-N 3.1Å; T71-L102 HydrophobicContact CG2-CD1 4.2Å
72C84.9Confident87.2Confident13 Ų1331.4 Ų31.49%0.08820%0.196CC..Hα-helixtrans-60.8-50174.8-82.20000110.7Y47 L68 C69 G75 L76Y47-C72 HydrophobicContact CE1-CB 4.28Å; Y47-C72 HydrophobicContact CE2-CB 4.02Å; Y47-C72 WeakPolarHBondContact OH-CA 3.46Å; Y47-C72 WeakPolarHBondContact OH-CB 3.4Å; Y47-C72 PolarHBondContact OH-O 3.27Å; L68-C72 HydrophobicContact CD1-CB 3.52Å; L68-C72 HydrophobicContact CD2-CB 4.38Å; L68-C72 HydrophobicContact CG-CB 3.65Å; C69-C72 WeakPolarHBondContact O-CB 3.35Å; C69-C72 PolarHBondContact O-N 2.71Å; C69-C72 VanDerWaalsContact SG-CB 3.58Å; C69-C72 PolarHBondContact SG-SG 3Å; C72-G75 PolarHBondContact O-N 2.77Å; C72-L76 PolarHBondContact O-N 3.28Å; C72-L76 VanDerWaalsContact O-N 3.07Å
73L89.5Confident87.4Confident0 Ų031 Ų310%020%0.195CC..Hα-helixtrans-61.1-47.6176.2179.558.2000111.7L63 L68 C69 G75 L76 L77 I89 L95 V99L63-L73 HydrophobicContact CD1-CD1 3.81Å; L68-L73 HydrophobicContact CD2-CB 3.73Å; L68-L73 HydrophobicContact CD2-CD1 4.14Å; L68-L73 HydrophobicContact CG-CB 4.44Å; C69-L73 PolarHBondContact O-N 3.38Å; L73-G75 VanDerWaalsContact C-N 3.29Å; L73-G75 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.37Å; L73-L77 HydrophobicContact CD1-CD1 3.96Å; L73-L77 HydrophobicContact CD1-CD2 4.43Å; L73-L77 HydrophobicContact CD1-CG 3.93Å; L73-L77 HydrophobicContact CG-CD1 3.92Å; L73-L77 HydrophobicContact CG-CG 4.29Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 3.27Å; L73-I89 HydrophobicContact CD1-CG2 3.95Å; L73-I89 HydrophobicContact CD2-CD1 4.07Å; L73-I89 HydrophobicContact CD2-CG2 4.09Å; L73-L95 HydrophobicContact CB-CD2 4.12Å; L73-L95 HydrophobicContact CD2-CD1 3.78Å; L73-L95 HydrophobicContact CD2-CD2 3.78Å; L73-L95 HydrophobicContact CD2-CG 4.47Å; L73-V99 HydrophobicContact CD2-CG2 3.76Å
74A89.8Confident87.7Confident9 Ų930.8 Ų30.87%0.07419%0.194CC..Hα-helixtrans-59.2-41.3179.500000111.9D70 T71 L77 M78 L102 I107D70-A74 WeakPolarHBondContact O-CB 3.38Å; D70-A74 PolarHBondContact O-N 3.14Å; T71-A74 PolarHBondContact O-N 2.88Å; A74-L77 PolarHBondContact O-N 3.01Å; A74-M78 VanDerWaalsContact O-CB 3.27Å; A74-M78 WeakPolarHBondContact O-CB 3.46Å; A74-M78 PolarHBondContact O-N 3.26Å; A74-L102 HydrophobicContact CB-CB 3.86Å; A74-L102 HydrophobicContact CB-CD1 4.48Å; A74-I107 HydrophobicContact CB-CD1 4.27Å; A74-I107 WeakPolarHBondContact O-CD1 3.05Å
75G87.2Confident88.1Confident17 Ų1730.5 Ų30.518%0.17519%0.19CC..Hα-helixtrans-65.3-43.3176.700000112.7T71 C72 L73 L77 M78 E79T71-G75 PolarHBondContact O-N 3.1Å; C72-G75 PolarHBondContact O-N 2.77Å; L73-G75 VanDerWaalsContact C-N 3.29Å; L73-G75 PolarHBondContact O-N 3.4Å; G75-L77 PolarHBondContact O-N 2.86Å; G75-M78 PolarHBondContact O-N 3Å; G75-E79 WeakPolarHBondContact O-CB 3.27Å; G75-E79 PolarHBondContact O-N 3.41Å
76L87.6Confident88.7Confident5 Ų529.8 Ų29.83%0.02618%0.179CC..Hα-helixtrans-61.3-44175.3-73.6175000111.8Y47 L50 M51 M61 L63 L68 C72 L73 M78 E79 H80Y47-L76 HydrophobicContact CE1-CD2 4.14Å; Y47-L76 HydrophobicContact CE1-CG 3.94Å; Y47-L76 WeakPolarHBondContact OH-CD1 3.29Å; Y47-L76 VanDerWaalsContact OH-CG 3.29Å; Y47-L76 WeakPolarHBondContact OH-CG 3.17Å; L50-L76 HydrophobicContact CB-CD2 3.74Å; M51-L76 HydrophobicContact SD-CD2 3.97Å; M51-L76 HydrophobicContact SD-CG 4.41Å; M61-L76 HydrophobicContact CE-CB 3.93Å; M61-L76 HydrophobicContact SD-CB 4.16Å; M61-L76 HydrophobicContact SD-CD1 4.48Å; L63-L76 HydrophobicContact CD1-CD1 4.22Å; L68-L76 HydrophobicContact CD2-CD1 3.92Å; C72-L76 PolarHBondContact O-N 3.28Å; C72-L76 VanDerWaalsContact O-N 3.07Å; L73-L76 PolarHBondContact O-N 3.37Å; L76-M78 VanDerWaalsContact C-N 3.32Å; L76-M78 PolarHBondContact O-N 3.05Å; L76-E79 PolarHBondContact O-N 2.98Å; L76-H80 PolarHBondContact O-CD2 2.76Å; L76-H80 VanDerWaalsContact O-CD2 3.26Å; L76-H80 PolarHBondContact O-N 2.99Å
77L91.5Very high89.3Confident0 Ų029.7 Ų29.70%018%0.178CC..Hα-helixtrans-66.8-35.6178.2-68.3179.3000112.2M61 L73 A74 G75 A81 L84 L87 I103 I107 L109M61-L77 HydrophobicContact SD-CD2 4.25Å; L73-L77 HydrophobicContact CD1-CD1 3.96Å; L73-L77 HydrophobicContact CD1-CD2 4.43Å; L73-L77 HydrophobicContact CD1-CG 3.93Å; L73-L77 HydrophobicContact CG-CD1 3.92Å; L73-L77 HydrophobicContact CG-CG 4.29Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 3.27Å; A74-L77 PolarHBondContact O-N 3.01Å; G75-L77 PolarHBondContact O-N 2.86Å; L77-A81 VanDerWaalsContact O-CA 3.23Å; L77-A81 WeakPolarHBondContact O-CA 3.31Å; L77-A81 VanDerWaalsContact O-CB 3.28Å; L77-A81 WeakPolarHBondContact O-CB 3.35Å; L77-A81 PolarHBondContact O-N 3.26Å; L77-L84 HydrophobicContact CD2-CD2 3.77Å; L77-L87 HydrophobicContact CD1-CD2 4.13Å; L77-L87 HydrophobicContact CD2-CD1 3.95Å; L77-L87 HydrophobicContact CD2-CD2 3.77Å; L77-L87 HydrophobicContact CD2-CG 4.44Å; L77-I103 HydrophobicContact CD1-CD1 3.52Å; L77-I103 HydrophobicContact CD1-CG1 3.97Å; L77-I107 HydrophobicContact CB-CD1 3.83Å; L77-I107 HydrophobicContact CB-CG2 4.42Å; L77-L109 HydrophobicContact CB-CD2 4.44Å; L77-L109 HydrophobicContact CD1-CD1 4.3Å; L77-L109 HydrophobicContact CD2-CD1 4.48Å
78M90Very high89.9Confident98 Ų9826.8 Ų26.848%0.48317%0.165SC..Hα-helixtrans-65.2-44.5176.6-176.1179.6-59.700110.8A74 G75 L76 A81 N106 I107A74-M78 VanDerWaalsContact O-CB 3.27Å; A74-M78 WeakPolarHBondContact O-CB 3.46Å; A74-M78 PolarHBondContact O-N 3.26Å; G75-M78 PolarHBondContact O-N 3Å; L76-M78 VanDerWaalsContact C-N 3.32Å; L76-M78 PolarHBondContact O-N 3.05Å; M78-A81 WeakPolarHBondContact O-CB 3.1Å; M78-N106 HydrophobicContact CE-CB 3.71Å; M78-I107 HydrophobicContact CB-CD1 4.06Å; M78-I107 HydrophobicContact CB-CG1 4.15Å; M78-I107 HydrophobicContact CE-CG1 4.3Å
79E87.9Confident90.4Very high55 Ų5526.6 Ų26.626%0.25716%0.164SC..Hα-helixtrans-67.1-42.3-178.7-175.266.3-164.800112.3M51 H53 G75 L76M51-E79 VanDerWaalsContact C-CG 3.43Å; M51-E79 VanDerWaalsContact O-CG 3.29Å; M51-E79 WeakPolarHBondContact O-CG 3.33Å; M51-E79 HydrophobicContact SD-CB 4.12Å; H53-E79 HydrophobicContact CB-CG 4.1Å; H53-E79 WeakPolarHBondContact CB-O 3.43Å; H53-E79 IonicContact CE1-OE1 2.83Å; H53-E79 IonicContact CG-OE1 3.8Å; H53-E79 PolarHBondContact N-OE1 3.42Å; H53-E79 IonicContact ND1-OE1 3.6Å; H53-E79 PolarHBondContact ND1-OE1 3.4Å; H53-E79 IonicContact ND1-OE2 4Å; G75-E79 WeakPolarHBondContact O-CB 3.27Å; G75-E79 PolarHBondContact O-N 3.41Å; L76-E79 PolarHBondContact O-N 2.98Å
80H89.8Confident90.7Very high0 Ų024.8 Ų24.80%015%0.152CC..THydrogen-bonded Turntrans-96.413.5-178.3-63.4-75.4000113.7L50 L56 L58 M61 L76 S82 T83 L84L50-H80 PolarHBondContact O-NE2 3.5Å; L56-H80 PolarHBondContact O-CE1 3.39Å; L58-H80 HydrophobicContact CB-CB 4.48Å; L58-H80 PolarHBondContact N-ND1 2.98Å; M61-H80 HydrophobicContact CE-CB 4.4Å; L76-H80 PolarHBondContact O-CD2 2.76Å; L76-H80 VanDerWaalsContact O-CD2 3.26Å; L76-H80 PolarHBondContact O-N 2.99Å; H80-S82 PolarHBondContact O-N 2.89Å; H80-S82 VanDerWaalsContact O-N 3.08Å; H80-T83 PolarHBondContact O-N 3.46Å; H80-T83 PolarHBondContact O-OG1 2.92Å; H80-L84 HydrophobicContact CB-CD1 4.19Å; H80-L84 WeakPolarHBondContact O-CB 3.14Å; H80-L84 PolarHBondContact O-N 3.23Å
81A91.9Very high90.8Very high21 Ų2128.6 Ų28.617%0.17417%0.172CC..THydrogen-bonded Turntrans-55.6-34.7-171.200000113.8L77 M78 I107 L109L77-A81 VanDerWaalsContact O-CA 3.23Å; L77-A81 WeakPolarHBondContact O-CA 3.31Å; L77-A81 VanDerWaalsContact O-CB 3.28Å; L77-A81 WeakPolarHBondContact O-CB 3.35Å; L77-A81 PolarHBondContact O-N 3.26Å; M78-A81 WeakPolarHBondContact O-CB 3.1Å; A81-I107 HydrophobicContact CB-CG2 4.13Å; A81-L109 HydrophobicContact CB-CD2 4.07Å
82S91.4Very high90.8Very high76 Ų7624.6 Ų24.653%0.53115%0.148SC..THydrogen-bonded Turntrans-82-20.7-178.3610000113.7H80 N111H80-S82 PolarHBondContact O-N 2.89Å; H80-S82 VanDerWaalsContact O-N 3.08Å; S82-N111 PolarHBondContact O-ND2 2.94Å
83T91.2Very high90.7Very high34 Ų3426.4 Ų26.421%0.20916%0.164CC..THydrogen-bonded Turntrans-108.4-26.7-17557.40000112.9P57 L58 H80 T85P57-T83 HydrophobicContact CB-CG2 3.83Å; L58-T83 CarbonylContact O-C 3.59Å; L58-T83 WeakPolarHBondContact O-CB 3.41Å; L58-T83 PolarHBondContact O-OG1 3.45Å; H80-T83 PolarHBondContact O-N 3.46Å; H80-T83 PolarHBondContact O-OG1 2.92Å; T83-T85 PolarHBondContact O-N 3.07Å
84L93.2Very high90.4Very high0 Ų033.6 Ų33.60%019%0.191CC..  trans-69.2129-173.1-147.485.4000112L58 M61 L77 H80 L87 N111 M112L58-L84 HydrophobicContact CB-CD1 4.12Å; L58-L84 PolarHBondContact O-N 3.37Å; M61-L84 HydrophobicContact CB-CD1 3.53Å; M61-L84 HydrophobicContact CB-CD2 4.26Å; M61-L84 HydrophobicContact CB-CG 4.43Å; M61-L84 HydrophobicContact CE-CD1 4Å; L77-L84 HydrophobicContact CD2-CD2 3.77Å; H80-L84 HydrophobicContact CB-CD1 4.19Å; H80-L84 WeakPolarHBondContact O-CB 3.14Å; H80-L84 PolarHBondContact O-N 3.23Å; L84-L87 HydrophobicContact CD2-CB 3.98Å; L84-L87 HydrophobicContact CD2-CD1 4.25Å; L84-N111 CarbonylContact O-C 3.5Å; L84-M112 HydrophobicContact CB-CE 4.4Å; L84-M112 HydrophobicContact CD2-CE 3.44Å; L84-M112 VanDerWaalsContact CD2-CE 3.44Å; L84-M112 HydrophobicContact CD2-SD 4.05Å; L84-M112 HydrophobicContact CG-CE 4.32Å
85T95.8Very high90.3Very high39 Ų3933.4 Ų33.424%0.23919%0.189CC..  trans-121-21.7175.165.70000112.9V59 T83 N111 K113 F114V59-T85 HydrophobicContact CG1-CG2 4.1Å; V59-T85 VanDerWaalsContact CG1-OG1 3.25Å; V59-T85 WeakPolarHBondContact CG1-OG1 3.44Å; V59-T85 PolarHBondContact O-N 3.02Å; V59-T85 PolarHBondContact O-OG1 2.71Å; V59-T85 VanDerWaalsContact O-OG1 3.07Å; T83-T85 PolarHBondContact O-N 3.07Å; T85-N111 WeakPolarHBondContact CA-O 3.45Å; T85-N111 HydrophobicContact CG2-CB 4.37Å; T85-K113 PolarHBondContact O-N 3.36Å; T85-F114 PolarHBondContact O-N 3.24Å
86C95.9Very high90.3Very high25 Ų2534.5 Ų34.517%0.16919%0.193CC..EExtended strand (participates in β ladder)trans-133.9124.6-178.3177.20000110.3V59 T60 M61 F114V59-C86 PolarHBondContact O-N 2.73Å; V59-C86 VanDerWaalsContact O-N 3.17Å; T60-C86 WeakPolarHBondContact CA-O 3.45Å; T60-C86 HydrophobicContact CG2-CB 3.97Å; M61-C86 PolarHBondContact N-O 2.95Å; C86-F114 WeakPolarHBondContact CA-O 3.28Å; C86-F114 HydrophobicContact CB-CB 4.19Å; C86-F114 HydrophobicContact CB-CD1 4.47Å; C86-F114 WeakPolarHBondContact SG-CD1 3.48Å
87L95.3Very high90.3Very high1 Ų135.1 Ų35.11%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-125124.5175.6-179.962.5000110M61 L77 L84 I89 M112 F114 L115 D116 M204M61-L87 HydrophobicContact CB-CD1 4.22Å; M61-L87 HydrophobicContact CG-CD1 4.07Å; M61-L87 WeakPolarHBondContact O-CA 3.25Å; M61-L87 HydrophobicContact SD-CD1 4.02Å; L77-L87 HydrophobicContact CD1-CD2 4.13Å; L77-L87 HydrophobicContact CD2-CD1 3.95Å; L77-L87 HydrophobicContact CD2-CD2 3.77Å; L77-L87 HydrophobicContact CD2-CG 4.44Å; L84-L87 HydrophobicContact CD2-CB 3.98Å; L84-L87 HydrophobicContact CD2-CD1 4.25Å; L87-I89 HydrophobicContact CD1-CG2 3.69Å; L87-I89 HydrophobicContact CD2-CG2 4.32Å; L87-I89 HydrophobicContact CG-CG2 3.96Å; L87-M112 HydrophobicContact CB-CE 3.99Å; L87-M112 HydrophobicContact CB-SD 3.78Å; L87-M112 HydrophobicContact CD2-CE 4.39Å; L87-F114 PolarHBondContact N-O 3.09Å; L87-L115 HydrophobicContact CB-CD1 4.05Å; L87-L115 HydrophobicContact CD2-CD1 3.82Å; L87-L115 HydrophobicContact CG-CD1 4.09Å; L87-L115 CarbonylContact O-C 3.57Å; L87-L115 VanDerWaalsContact O-CA 3.31Å; L87-L115 WeakPolarHBondContact O-CA 3.31Å; L87-D116 PolarHBondContact O-N 2.86Å; L87-M204 HydrophobicContact CD2-CE 4.2Å
88N93.3Very high90.1Very high20 Ų2040.1 Ų40.111%0.10722%0.223CC..EExtended strand (participates in β ladder)trans-119117.4167.5-174-25.8000108.9M61 N62 L63 S64 A90 D116M61-N88 PolarHBondContact O-N 3.41Å; N62-N88 HydrophobicContact CB-CB 4.16Å; L63-N88 WeakPolarHBondContact CA-O 3.39Å; L63-N88 PolarHBondContact N-O 3.37Å; S64-N88 WeakPolarHBondContact CB-OD1 3.31Å; N88-A90 VanDerWaalsContact OD1-CB 3.25Å; N88-A90 WeakPolarHBondContact OD1-CB 3.48Å; N88-A90 PolarHBondContact OD1-N 3.36Å; N88-D116 HydrophobicContact CB-CB 4.05Å; N88-D116 PolarHBondContact ND2-OD2 3.18Å
89I92.7Very high90Very high3 Ų335.5 Ų35.52%0.01520%0.2CC..  trans-124.324.3176.653.8168000111.2L63 L73 L87 C92 L95 D116 L117 L120L63-I89 HydrophobicContact CB-CG2 4.32Å; L63-I89 HydrophobicContact CD1-CG2 4.34Å; L73-I89 HydrophobicContact CD1-CG2 3.95Å; L73-I89 HydrophobicContact CD2-CD1 4.07Å; L73-I89 HydrophobicContact CD2-CG2 4.09Å; L87-I89 HydrophobicContact CD1-CG2 3.69Å; L87-I89 HydrophobicContact CD2-CG2 4.32Å; L87-I89 HydrophobicContact CG-CG2 3.96Å; I89-C92 PolarHBondContact O-N 3.45Å; I89-C92 PolarHBondContact O-SG 3.29Å; I89-L95 HydrophobicContact CB-CD1 4.3Å; I89-L95 HydrophobicContact CD1-CD1 4.1Å; I89-D116 PolarHBondContact N-O 2.92Å; I89-L117 HydrophobicContact CD1-CD2 3.67Å; I89-L117 HydrophobicContact CG1-CD2 3.83Å; I89-L120 HydrophobicContact CB-CD1 4.45Å; I89-L120 HydrophobicContact CD1-CD1 3.76Å; I89-L120 HydrophobicContact CG1-CD1 3.79Å; I89-L120 WeakPolarHBondContact O-CD1 3.28Å
90A91.5Very high90.1Very high5 Ų532.9 Ų32.94%0.04119%0.188CC..THydrogen-bonded Turntrans-56.1140.9-17800000111.8S64 G65 N88 C92 S118S64-A90 CarbonylContact C-O 3.59Å; S64-A90 WeakPolarHBondContact CA-O 3.49Å; G65-A90 PolarHBondContact N-O 2.95Å; N88-A90 VanDerWaalsContact OD1-CB 3.25Å; N88-A90 WeakPolarHBondContact OD1-CB 3.48Å; N88-A90 PolarHBondContact OD1-N 3.36Å; A90-C92 PolarHBondContact O-N 3.02Å; A90-S118 CarbonylContact C-O 3.54Å; A90-S118 WeakPolarHBondContact CA-O 3.23Å; A90-S118 VanDerWaalsContact CB-O 3.31Å; A90-S118 WeakPolarHBondContact CB-O 3.36Å
91N88.9Confident90Very high95 Ų9534.6 Ų34.651%0.50820%0.2SC..THydrogen-bonded Turntrans55.521.3175.2-55.9-55.3000115.6A93 S118N91-A93 PolarHBondContact O-N 3.46Å; N91-A93 VanDerWaalsContact O-N 3.15Å; N91-S118 PolarHBondContact N-O 3.22Å
92C87.1Confident89.8Confident1 Ų134.9 Ų34.91%0.00720%0.199CC..  trans-66.4113.2174-72.30000110.8L63 T66 I89 A90 L95 L120 R122L63-C92 PolarHBondContact O-SG 3.38Å; T66-C92 WeakPolarHBondContact O-CA 3.32Å; I89-C92 PolarHBondContact O-N 3.45Å; I89-C92 PolarHBondContact O-SG 3.29Å; A90-C92 PolarHBondContact O-N 3.02Å; C92-L95 HydrophobicContact CB-CB 4.38Å; C92-L95 HydrophobicContact CB-CD1 3.46Å; C92-L95 VanDerWaalsContact CB-CD1 3.46Å; C92-L95 HydrophobicContact CB-CG 3.63Å; C92-L120 HydrophobicContact CB-CD2 4.36Å; C92-R122 PolarHBondContact O-NH2 3.35Å
93A82.8Confident89.6Confident51 Ų5131.3 Ų31.342%0.42117%0.174SC..THydrogen-bonded Turntrans-75.5-30.4-16800000114T66 N91 R122T66-A93 PolarHBondContact O-N 3.46Å; N91-A93 PolarHBondContact O-N 3.46Å; N91-A93 VanDerWaalsContact O-N 3.15Å; A93-R122 VanDerWaalsContact C-NH2 3.3Å; A93-R122 PolarHBondContact O-NH2 3.1Å
94R83.8Confident89.4Confident151 Ų15131.6 Ų31.657%0.5718%0.175SC*.THydrogen-bonded Turntrans-92.81-179-66.3-162.7-176.3167.4-4.4115.4Q67 L68Q67-R94 HydrophobicContact CB-CG 4.41Å; Q67-R94 VanDerWaalsContact O-CD 3.28Å; Q67-R94 WeakPolarHBondContact O-CD 3.16Å; L68-R94 CarbonylContact O-C 3.53Å; L68-R94 WeakPolarHBondContact O-CB 3.34Å
95L87.8Confident89.1Confident4 Ų441 Ų412%0.02121%0.211CC..  trans-72.3145172.5-64.2-177.4000110.5L68 D70 L73 I89 C92 L120 I123L68-L95 WeakPolarHBondContact O-CD2 3.26Å; D70-L95 VanDerWaalsContact OD1-CA 3.26Å; D70-L95 WeakPolarHBondContact OD1-CA 3.41Å; L73-L95 HydrophobicContact CB-CD2 4.12Å; L73-L95 HydrophobicContact CD2-CD1 3.78Å; L73-L95 HydrophobicContact CD2-CD2 3.78Å; L73-L95 HydrophobicContact CD2-CG 4.47Å; I89-L95 HydrophobicContact CB-CD1 4.3Å; I89-L95 HydrophobicContact CD1-CD1 4.1Å; C92-L95 HydrophobicContact CB-CB 4.38Å; C92-L95 HydrophobicContact CB-CD1 3.46Å; C92-L95 VanDerWaalsContact CB-CD1 3.46Å; C92-L95 HydrophobicContact CB-CG 3.63Å; L95-L120 HydrophobicContact CD1-CD1 4.39Å; L95-I123 VanDerWaalsContact C-CD1 3.46Å; L95-I123 HydrophobicContact CB-CD1 3.36Å; L95-I123 VanDerWaalsContact O-CD1 3.23Å; L95-I123 WeakPolarHBondContact O-CD1 3.15Å; L95-I123 WeakPolarHBondContact O-CG1 3.28Å
96S88Confident88.4Confident40 Ų4043.5 Ų43.528%0.2822%0.223SC..  trans-135.7171.3-18089.50000111.1D70 K98 V99 I123D70-S96 PolarHBondContact OD1-N 3.48Å; D70-S96 WeakPolarHBondContact OD2-CB 3.39Å; D70-S96 PolarHBondContact OD2-OG 3.01Å; S96-K98 PolarHBondContact O-N 3.3Å; S96-K98 PolarHBondContact OG-N 3.22Å; S96-V99 WeakPolarHBondContact O-CB 3.46Å; S96-V99 VanDerWaalsContact O-CG1 3.24Å; S96-V99 WeakPolarHBondContact O-CG1 3.14Å; S96-V99 PolarHBondContact O-N 3.48Å; S96-I123 WeakPolarHBondContact O-CG2 3.4Å
97G86.1Confident88.1Confident18 Ų1842.8 Ų42.819%0.18622%0.217CC..THydrogen-bonded Turntrans-58.7-15.9-178.900000114.1V99 H100G97-V99 PolarHBondContact O-N 3.1Å; G97-H100 PolarHBondContact O-CD2 3.43Å; G97-H100 PolarHBondContact O-N 3.17Å
98K87.2Confident88Confident105 Ų10550 Ų5046%0.45725%0.248SC..Hα-helixtrans-62.5-28.9174.8-64.4178.2-179.6176.80112.5S96 H100 S101 L102S96-K98 PolarHBondContact O-N 3.3Å; S96-K98 PolarHBondContact OG-N 3.22Å; K98-H100 PolarHBondContact O-N 2.81Å; K98-H100 VanDerWaalsContact O-N 3.14Å; K98-S101 PolarHBondContact O-N 2.9Å; K98-S101 PolarHBondContact O-OG 3.08Å; K98-L102 PolarHBondContact O-N 2.97Å
99V89.3Confident88Confident2 Ų249 Ų491%0.01224%0.243CC..Hα-helixtrans-51.5-39.3-179.374.30000112.3D70 L73 S96 G97 S101 L102 I103 I123 L200D70-V99 HydrophobicContact CB-CB 4.33Å; L73-V99 HydrophobicContact CD2-CG2 3.76Å; S96-V99 WeakPolarHBondContact O-CB 3.46Å; S96-V99 VanDerWaalsContact O-CG1 3.24Å; S96-V99 WeakPolarHBondContact O-CG1 3.14Å; S96-V99 PolarHBondContact O-N 3.48Å; G97-V99 PolarHBondContact O-N 3.1Å; V99-S101 PolarHBondContact O-N 3.26Å; V99-L102 PolarHBondContact O-N 2.77Å; V99-I103 HydrophobicContact CG2-CD1 3.72Å; V99-I103 HydrophobicContact CG2-CG1 4.33Å; V99-I103 WeakPolarHBondContact O-CB 3.32Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.26Å; V99-I103 PolarHBondContact O-N 3.07Å; V99-I123 HydrophobicContact CG1-CG2 4.2Å; V99-L200 HydrophobicContact CG1-CD2 4.48Å
100H89.2Confident87.9Confident0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-62.4-46-179.6-63.1-108.2000111.7G97 K98 T104 F124 I127 F197 L200G97-H100 PolarHBondContact O-CD2 3.43Å; G97-H100 PolarHBondContact O-N 3.17Å; K98-H100 PolarHBondContact O-N 2.81Å; K98-H100 VanDerWaalsContact O-N 3.14Å; H100-T104 WeakPolarHBondContact O-CB 3.37Å; H100-T104 VanDerWaalsContact O-CG2 3.25Å; H100-T104 WeakPolarHBondContact O-CG2 3.4Å; H100-T104 PolarHBondContact O-N 2.93Å; H100-T104 PolarHBondContact O-OG1 3.06Å; H100-F124 AromaticContact CE1-CD1 3.68Å; H100-F124 AromaticContact CE1-CE1 3.4Å; H100-F124 VanDerWaalsContact CE1-CE1 3.4Å; H100-F124 WeakPolarHBondContact CE1-CE1 3.25Å; H100-F124 AromaticContact CE1-CE2 3.97Å; H100-F124 AromaticContact CE1-CG 3.99Å; H100-F124 AromaticContact CE1-CZ 3.58Å; H100-F124 AromaticContact NE2-CD2 3.94Å; H100-F124 AromaticContact NE2-CE2 3.89Å; H100-F124 AromaticContact NE2-CZ 3.94Å; H100-I127 HydrophobicContact CB-CD1 4.14Å; H100-I127 WeakPolarHBondContact CD2-CD1 3.49Å; H100-I127 VanDerWaalsContact CG-CD1 3.42Å; H100-I127 WeakPolarHBondContact NE2-CD1 2.86Å; H100-F197 HydrophobicContact CB-CE1 4.27Å; H100-F197 HydrophobicContact CB-CE2 4.26Å; H100-F197 HydrophobicContact CB-CZ 3.48Å; H100-F197 VanDerWaalsContact CB-CZ 3.48Å; H100-F197 AromaticContact CG-CZ 3.9Å; H100-L200 PolarHBondContact ND1-N 3.5Å
101S87.5Confident88.1Confident36 Ų3657.6 Ų57.625%0.25229%0.285SS..Hα-helixtrans-71.6-33.8179.465.70000113K98 V99 R105K98-S101 PolarHBondContact O-N 2.9Å; K98-S101 PolarHBondContact O-OG 3.08Å; V99-S101 PolarHBondContact O-N 3.26Å; S101-R105 VanDerWaalsContact O-CB 3.25Å; S101-R105 WeakPolarHBondContact O-CB 3.25Å; S101-R105 WeakPolarHBondContact O-CD 3.32Å; S101-R105 WeakPolarHBondContact O-CG 3.4Å; S101-R105 PolarHBondContact O-N 3.04Å
102L87.1Confident88.4Confident27 Ų2753.1 Ų53.114%0.14126%0.261CS..Hα-helixtrans-67.6-41.5177.1-73170.8000111.5D70 T71 A74 K98 V99 L143D70-L102 HydrophobicContact CB-CD1 3.62Å; T71-L102 HydrophobicContact CG2-CD1 4.2Å; A74-L102 HydrophobicContact CB-CB 3.86Å; A74-L102 HydrophobicContact CB-CD1 4.48Å; K98-L102 PolarHBondContact O-N 2.97Å; V99-L102 PolarHBondContact O-N 2.77Å; L102-L143 HydrophobicContact CD2-CD2 4.3Å
103I88.9Confident88.9Confident1 Ų158 Ų581%0.00528%0.282CS..Hα-helixtrans-72.1-54178.4-65.4173.4000110.4L77 V99 R105 N106 I107 L109 L200 A203L77-I103 HydrophobicContact CD1-CD1 3.52Å; L77-I103 HydrophobicContact CD1-CG1 3.97Å; V99-I103 HydrophobicContact CG2-CD1 3.72Å; V99-I103 HydrophobicContact CG2-CG1 4.33Å; V99-I103 WeakPolarHBondContact O-CB 3.32Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.26Å; V99-I103 PolarHBondContact O-N 3.07Å; I103-R105 VanDerWaalsContact C-N 3.27Å; I103-R105 PolarHBondContact O-N 2.87Å; I103-N106 PolarHBondContact O-N 2.93Å; I103-I107 HydrophobicContact CG1-CD1 4.29Å; I103-I107 HydrophobicContact CG2-CB 4.37Å; I103-I107 WeakPolarHBondContact O-CB 3.42Å; I103-I107 PolarHBondContact O-N 3.24Å; I103-L109 HydrophobicContact CG2-CD1 4.39Å; I103-L200 HydrophobicContact CB-CB 4.48Å; I103-L200 HydrophobicContact CD1-CB 4.08Å; I103-L200 HydrophobicContact CG2-CB 4.41Å; I103-A203 HydrophobicContact CG2-CB 3.77Å
104T86.7Confident89.6Confident40 Ų4058.4 Ų58.425%0.24527%0.274CS..Hα-helixtrans-68-22.6-171.6550000114.7H100 K198 M199 A202H100-T104 WeakPolarHBondContact O-CB 3.37Å; H100-T104 VanDerWaalsContact O-CG2 3.25Å; H100-T104 WeakPolarHBondContact O-CG2 3.4Å; H100-T104 PolarHBondContact O-N 2.93Å; H100-T104 PolarHBondContact O-OG1 3.06Å; T104-K198 HydrophobicContact CG2-CB 3.87Å; T104-M199 WeakPolarHBondContact CG2-O 3.31Å; T104-A202 HydrophobicContact CG2-CB 4.19Å
105R85.4Confident90.2Very high197 Ų19751.2 Ų51.274%0.74325%0.247SC*.Hα-helixtrans-78-35.6176.1-74.5177.4176.6-176.2-1.5113.1S101 I103S101-R105 VanDerWaalsContact O-CB 3.25Å; S101-R105 WeakPolarHBondContact O-CB 3.25Å; S101-R105 WeakPolarHBondContact O-CD 3.32Å; S101-R105 WeakPolarHBondContact O-CG 3.4Å; S101-R105 PolarHBondContact O-N 3.04Å; I103-R105 VanDerWaalsContact C-N 3.27Å; I103-R105 PolarHBondContact O-N 2.87Å
106N82.8Confident90.6Very high92 Ų9251.6 Ų51.649%0.49225%0.249SC..Hα-helixtrans-123.8-12.2-161-59.8-35.9000114.4M78 I103M78-N106 HydrophobicContact CE-CB 3.71Å; I103-N106 PolarHBondContact O-N 2.93Å
107I89.7Confident91Very high10 Ų1049.7 Ų49.75%0.05124%0.236CC..  trans-131132.6-166.5-44178.4000110A74 L77 M78 A81 I103 L109 A203A74-I107 HydrophobicContact CB-CD1 4.27Å; A74-I107 WeakPolarHBondContact O-CD1 3.05Å; L77-I107 HydrophobicContact CB-CD1 3.83Å; L77-I107 HydrophobicContact CB-CG2 4.42Å; M78-I107 HydrophobicContact CB-CD1 4.06Å; M78-I107 HydrophobicContact CB-CG1 4.15Å; M78-I107 HydrophobicContact CE-CG1 4.3Å; A81-I107 HydrophobicContact CB-CG2 4.13Å; I103-I107 HydrophobicContact CG1-CD1 4.29Å; I103-I107 HydrophobicContact CG2-CB 4.37Å; I103-I107 WeakPolarHBondContact O-CB 3.42Å; I103-I107 PolarHBondContact O-N 3.24Å; I107-L109 HydrophobicContact CG2-CD1 4.42Å; I107-L109 HydrophobicContact CG2-CD2 3.66Å; I107-L109 HydrophobicContact CG2-CG 3.83Å; I107-A203 WeakPolarHBondContact O-CB 3.26Å
108K91.3Very high91.3Very high152 Ų15249.3 Ų49.366%0.66123%0.23SC*.  trans-114.4121.1167.3-67.2-174.2176.1-174.50108.8E110K108-E110 HydrophobicContact CB-CG 4.2Å
109L93.9Very high91.4Very high0 Ų044.5 Ų44.50%021%0.211CC..  trans-109.360.9-177.5-60.5169.3000108.6L77 A81 I103 I107 N111 M112 A203 M204L77-L109 HydrophobicContact CB-CD2 4.44Å; L77-L109 HydrophobicContact CD1-CD1 4.3Å; L77-L109 HydrophobicContact CD2-CD1 4.48Å; A81-L109 HydrophobicContact CB-CD2 4.07Å; I103-L109 HydrophobicContact CG2-CD1 4.39Å; I107-L109 HydrophobicContact CG2-CD1 4.42Å; I107-L109 HydrophobicContact CG2-CD2 3.66Å; I107-L109 HydrophobicContact CG2-CG 3.83Å; L109-N111 PolarHBondContact O-N 3.02Å; L109-M112 HydrophobicContact CB-CB 4.04Å; L109-M112 HydrophobicContact CB-CE 3.91Å; L109-M112 HydrophobicContact CD1-CE 3.68Å; L109-M112 HydrophobicContact CD2-CE 4.14Å; L109-M112 HydrophobicContact CG-CE 4.11Å; L109-M112 VanDerWaalsContact O-CB 3.26Å; L109-M112 WeakPolarHBondContact O-CB 3.35Å; L109-M112 PolarHBondContact O-N 3.21Å; L109-M112 VanDerWaalsContact O-N 3.1Å; L109-A203 CarbonylContact C-O 3.33Å; L109-A203 WeakPolarHBondContact CA-O 3.18Å; L109-A203 PolarHBondContact N-O 2.87Å; L109-M204 HydrophobicContact CB-CG 4.04Å; L109-M204 HydrophobicContact CD1-CE 3.59Å; L109-M204 HydrophobicContact CD1-CG 4.16Å
110E91.2Very high91.4Very high105 Ų10544.5 Ų44.549%0.49121%0.211SC..THydrogen-bonded Turntrans-65.6-24.3-172.1-62.1-178.4178.300112.7K108 N206K108-E110 HydrophobicContact CB-CG 4.2Å; E110-N206 WeakPolarHBondContact O-CB 3.43Å; E110-N206 PolarHBondContact O-ND2 2.79Å
111N94.5Very high91.2Very high83 Ų8344.5 Ų44.544%0.44421%0.211SC..THydrogen-bonded Turntrans-91.5-2.8178.1-70.3-33.6000113.6S82 L84 T85 L109 K113S82-N111 PolarHBondContact O-ND2 2.94Å; L84-N111 CarbonylContact O-C 3.5Å; T85-N111 WeakPolarHBondContact CA-O 3.45Å; T85-N111 HydrophobicContact CG2-CB 4.37Å; L109-N111 PolarHBondContact O-N 3.02Å; N111-K113 PolarHBondContact O-N 2.99Å
112M96.2Very high90.8Very high0 Ų046.9 Ų46.90%021%0.214CC..  trans-65.6124.3-179.8-164.173.266.700110.9L84 L87 L109 M204 N206 L207L84-M112 HydrophobicContact CB-CE 4.4Å; L84-M112 HydrophobicContact CD2-CE 3.44Å; L84-M112 VanDerWaalsContact CD2-CE 3.44Å; L84-M112 HydrophobicContact CD2-SD 4.05Å; L84-M112 HydrophobicContact CG-CE 4.32Å; L87-M112 HydrophobicContact CB-CE 3.99Å; L87-M112 HydrophobicContact CB-SD 3.78Å; L87-M112 HydrophobicContact CD2-CE 4.39Å; L109-M112 HydrophobicContact CB-CB 4.04Å; L109-M112 HydrophobicContact CB-CE 3.91Å; L109-M112 HydrophobicContact CD1-CE 3.68Å; L109-M112 HydrophobicContact CD2-CE 4.14Å; L109-M112 HydrophobicContact CG-CE 4.11Å; L109-M112 VanDerWaalsContact O-CB 3.26Å; L109-M112 WeakPolarHBondContact O-CB 3.35Å; L109-M112 PolarHBondContact O-N 3.21Å; L109-M112 VanDerWaalsContact O-N 3.1Å; M112-M204 HydrophobicContact CB-CB 4.27Å; M112-M204 HydrophobicContact CB-CG 4.11Å; M112-M204 HydrophobicContact CE-CE 4.25Å; M112-M204 HydrophobicContact CG-CB 4.48Å; M112-M204 HydrophobicContact CG-CG 4.11Å; M112-M204 HydrophobicContact CG-SD 3.98Å; M112-N206 CarbonylContact O-C 3.21Å; M112-N206 VanDerWaalsContact O-C 3.25Å; M112-L207 HydrophobicContact CG-CD1 3.99Å; M112-L207 PolarHBondContact O-N 3.42Å
113K96.9Very high90.4Very high105 Ų10545.7 Ų45.746%0.45721%0.208SC..  trans-117-33.3178.6-66.6179.2-177.3177.60112.3T85 N111 Q208 A209T85-K113 PolarHBondContact O-N 3.36Å; N111-K113 PolarHBondContact O-N 2.99Å; K113-Q208 HydrophobicContact CB-CG 4.38Å; K113-Q208 HydrophobicContact CG-CG 4.4Å; K113-Q208 CarbonylContact O-C 3.48Å; K113-Q208 WeakPolarHBondContact O-CA 3.48Å; K113-Q208 PolarHBondContact O-N 2.9Å; K113-A209 PolarHBondContact O-N 3.36Å
114F97.8Very high89.9Confident58 Ų5845.7 Ų45.725%0.25421%0.208SC..EExtended strand (participates in β ladder)trans-124.3133.6-177.6179.8-82.3000111T85 C86 L87 D116 A209 I211T85-F114 PolarHBondContact O-N 3.24Å; C86-F114 WeakPolarHBondContact CA-O 3.28Å; C86-F114 HydrophobicContact CB-CB 4.19Å; C86-F114 HydrophobicContact CB-CD1 4.47Å; C86-F114 WeakPolarHBondContact SG-CD1 3.48Å; L87-F114 PolarHBondContact N-O 3.09Å; F114-D116 HydrophobicContact CE1-CB 3.78Å; F114-D116 HydrophobicContact CZ-CB 4.15Å; F114-A209 WeakPolarHBondContact CA-O 3.43Å; F114-A209 HydrophobicContact CD2-CB 3.72Å; F114-A209 HydrophobicContact CE2-CB 4.39Å; F114-I211 HydrophobicContact CE2-CD1 3.93Å; F114-I211 HydrophobicContact CE2-CG1 4.13Å; F114-I211 HydrophobicContact CZ-CD1 3.65Å; F114-I211 HydrophobicContact CZ-CG1 4.02Å
115L97.6Very high89Confident0 Ų044.7 Ų44.70%020%0.203CC..EExtended strand (participates in β ladder)trans-137126.3176.7179.569000110.8L87 L117 L200 T201 M204 L207 A209 M210 I211L87-L115 HydrophobicContact CB-CD1 4.05Å; L87-L115 HydrophobicContact CD2-CD1 3.82Å; L87-L115 HydrophobicContact CG-CD1 4.09Å; L87-L115 CarbonylContact O-C 3.57Å; L87-L115 VanDerWaalsContact O-CA 3.31Å; L87-L115 WeakPolarHBondContact O-CA 3.31Å; L115-L117 HydrophobicContact CD1-CD2 3.93Å; L115-L117 HydrophobicContact CD1-CG 4.31Å; L115-L117 HydrophobicContact CD2-CD1 3.69Å; L115-L117 HydrophobicContact CD2-CD2 4.02Å; L115-L117 HydrophobicContact CD2-CG 3.78Å; L115-L117 HydrophobicContact CG-CD1 4.29Å; L115-L117 HydrophobicContact CG-CD2 3.99Å; L115-L117 HydrophobicContact CG-CG 3.82Å; L115-L200 HydrophobicContact CD2-CD1 3.85Å; L115-T201 HydrophobicContact CD2-CG2 4.11Å; L115-M204 HydrophobicContact CD1-CE 4.01Å; L115-M204 HydrophobicContact CD1-SD 4.14Å; L115-M204 HydrophobicContact CD2-CE 4.37Å; L115-M204 HydrophobicContact CD2-SD 3.72Å; L115-M204 HydrophobicContact CG-SD 4.34Å; L115-L207 HydrophobicContact CB-CD1 3.62Å; L115-L207 HydrophobicContact CB-CD2 4.14Å; L115-L207 HydrophobicContact CD2-CD2 4.29Å; L115-A209 PolarHBondContact N-O 3.15Å; L115-M210 HydrophobicContact CD2-CE 4.38Å; L115-M210 CarbonylContact O-C 3.59Å; L115-M210 VanDerWaalsContact O-CA 3.29Å; L115-M210 WeakPolarHBondContact O-CA 3.18Å; L115-I211 PolarHBondContact O-N 3.11Å
116D96.2Very high88Confident12 Ų1239.7 Ų39.76%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-115.5118170.4-173.9-3.1000110.5L87 N88 I89 F114 S118 I211L87-D116 PolarHBondContact O-N 2.86Å; N88-D116 HydrophobicContact CB-CB 4.05Å; N88-D116 PolarHBondContact ND2-OD2 3.18Å; I89-D116 PolarHBondContact N-O 2.92Å; F114-D116 HydrophobicContact CE1-CB 3.78Å; F114-D116 HydrophobicContact CZ-CB 4.15Å; D116-S118 WeakPolarHBondContact OD1-CB 3.07Å; D116-S118 PolarHBondContact OD1-N 2.54Å; D116-S118 PolarHBondContact OD1-OG 2.8Å; D116-I211 WeakPolarHBondContact CA-O 3.38Å; D116-I211 HydrophobicContact CB-CB 4.2Å
117L94.8Very high86.8Confident0 Ų037.1 Ų37.10%017%0.173CC..  trans-114.713.2-179-60.7175000112I89 L115 G119 L120 F124 L200 M210 I211 F212 L233I89-L117 HydrophobicContact CD1-CD2 3.67Å; I89-L117 HydrophobicContact CG1-CD2 3.83Å; L115-L117 HydrophobicContact CD1-CD2 3.93Å; L115-L117 HydrophobicContact CD1-CG 4.31Å; L115-L117 HydrophobicContact CD2-CD1 3.69Å; L115-L117 HydrophobicContact CD2-CD2 4.02Å; L115-L117 HydrophobicContact CD2-CG 3.78Å; L115-L117 HydrophobicContact CG-CD1 4.29Å; L115-L117 HydrophobicContact CG-CD2 3.99Å; L115-L117 HydrophobicContact CG-CG 3.82Å; L117-G119 PolarHBondContact O-N 2.99Å; L117-L120 HydrophobicContact CB-CD1 4.48Å; L117-L120 HydrophobicContact CD2-CD1 4.12Å; L117-L120 VanDerWaalsContact O-CB 3.28Å; L117-L120 WeakPolarHBondContact O-CB 3.49Å; L117-L120 WeakPolarHBondContact O-CG 3.34Å; L117-L120 PolarHBondContact O-N 2.76Å; L117-L120 VanDerWaalsContact O-N 3.07Å; L117-F124 HydrophobicContact CD1-CE1 3.87Å; L117-F124 HydrophobicContact CD1-CE2 4.46Å; L117-F124 HydrophobicContact CD1-CZ 3.55Å; L117-F124 HydrophobicContact CD2-CE2 4.47Å; L117-F124 HydrophobicContact CD2-CZ 3.99Å; L117-F124 HydrophobicContact CG-CZ 4.25Å; L117-L200 HydrophobicContact CD2-CD1 4.44Å; L117-L200 HydrophobicContact CD2-CD2 4.3Å; L117-M210 HydrophobicContact CD1-SD 4.43Å; L117-I211 PolarHBondContact N-O 3.05Å; L117-F212 HydrophobicContact CB-CB 4.34Å; L117-F212 HydrophobicContact CB-CD2 3.67Å; L117-F212 HydrophobicContact CB-CE2 4.16Å; L117-F212 HydrophobicContact CB-CG 4.1Å; L117-F212 VanDerWaalsContact O-CD2 3.26Å; L117-F212 WeakPolarHBondContact O-CD2 3.21Å; L117-F212 WeakPolarHBondContact O-CE2 3.31Å; L117-L233 HydrophobicContact CD1-CD1 4.15Å
118S93.5Very high85Confident10 Ų1038.8 Ų38.87%0.0718%0.182CC..THydrogen-bonded Turntrans-52.6135.3-174.7-59.90000111.8A90 N91 D116 L120 I211 R213A90-S118 CarbonylContact C-O 3.54Å; A90-S118 WeakPolarHBondContact CA-O 3.23Å; A90-S118 VanDerWaalsContact CB-O 3.31Å; A90-S118 WeakPolarHBondContact CB-O 3.36Å; N91-S118 PolarHBondContact N-O 3.22Å; D116-S118 WeakPolarHBondContact OD1-CB 3.07Å; D116-S118 PolarHBondContact OD1-N 2.54Å; D116-S118 PolarHBondContact OD1-OG 2.8Å; S118-L120 VanDerWaalsContact C-N 3.26Å; S118-L120 PolarHBondContact O-N 3.07Å; S118-I211 VanDerWaalsContact OG-CG2 3.31Å; S118-I211 WeakPolarHBondContact OG-CG2 3.44Å; S118-R213 PolarHBondContact OG-N 3.28Å
119G89.7Confident83.2Confident4 Ų434.3 Ų34.34%0.04116%0.163CC..THydrogen-bonded Turntrans66.424.4-179.400000115.3L117 R213 D215L117-G119 PolarHBondContact O-N 2.99Å; G119-R213 PolarHBondContact N-O 2.86Å; G119-D215 WeakPolarHBondContact CA-OD1 3.26Å
120L88.6Confident80.9Confident2 Ų242.7 Ų42.71%0.0120%0.199CC..  trans-108.311171.1-57.6-174.5000112.7I89 C92 L95 L117 S118 R122 I123 F124I89-L120 HydrophobicContact CB-CD1 4.45Å; I89-L120 HydrophobicContact CD1-CD1 3.76Å; I89-L120 HydrophobicContact CG1-CD1 3.79Å; I89-L120 WeakPolarHBondContact O-CD1 3.28Å; C92-L120 HydrophobicContact CB-CD2 4.36Å; L95-L120 HydrophobicContact CD1-CD1 4.39Å; L117-L120 HydrophobicContact CB-CD1 4.48Å; L117-L120 HydrophobicContact CD2-CD1 4.12Å; L117-L120 VanDerWaalsContact O-CB 3.28Å; L117-L120 WeakPolarHBondContact O-CB 3.49Å; L117-L120 WeakPolarHBondContact O-CG 3.34Å; L117-L120 PolarHBondContact O-N 2.76Å; L117-L120 VanDerWaalsContact O-N 3.07Å; S118-L120 VanDerWaalsContact C-N 3.26Å; S118-L120 PolarHBondContact O-N 3.07Å; L120-R122 PolarHBondContact O-N 3.13Å; L120-I123 HydrophobicContact CB-CD1 4.25Å; L120-I123 HydrophobicContact CD2-CD1 3.8Å; L120-I123 HydrophobicContact CG-CD1 4.43Å; L120-I123 WeakPolarHBondContact O-CB 3.42Å; L120-I123 PolarHBondContact O-N 2.99Å; L120-F124 HydrophobicContact CB-CD2 4.15Å; L120-F124 HydrophobicContact CB-CE2 3.92Å; L120-F124 HydrophobicContact CD1-CE2 4.45Å; L120-F124 WeakPolarHBondContact O-CD2 3.48Å; L120-F124 PolarHBondContact O-N 2.81Å
121A84.7Confident78.3Confident1 Ų141.6 Ų41.61%0.00820%0.2CC..Hα-helixtrans-52.1-37.7-17600000112.6I123 F124 S125 F212 W248A121-I123 VanDerWaalsContact C-N 3.31Å; A121-I123 PolarHBondContact O-N 3.31Å; A121-F124 PolarHBondContact O-N 3.25Å; A121-S125 PolarHBondContact O-N 3.37Å; A121-F212 HydrophobicContact CB-CE2 4.41Å; A121-F212 HydrophobicContact CB-CZ 4.46Å; A121-W248 HydrophobicContact CB-CH2 3.72Å; A121-W248 HydrophobicContact CB-CZ2 4.06Å; A121-W248 HydrophobicContact CB-CZ3 4.43Å
122R79.9Confident75.4Confident86 Ų8647.3 Ų47.333%0.32522%0.221SC..Hα-helixtrans-57-37.2175.171.9-171.9178.786.34.8114.3C92 A93 L120 F124 S125 H126C92-R122 PolarHBondContact O-NH2 3.35Å; A93-R122 VanDerWaalsContact C-NH2 3.3Å; A93-R122 PolarHBondContact O-NH2 3.1Å; L120-R122 PolarHBondContact O-N 3.13Å; R122-F124 VanDerWaalsContact C-N 3.29Å; R122-S125 PolarHBondContact O-OG 2.84Å; R122-H126 PolarHBondContact O-CD2 3.22Å; R122-H126 PolarHBondContact O-N 2.88Å
123I79Confident72.3Confident1 Ų155.1 Ų55.11%0.00526%0.257CS..Hα-helixtrans-73.5-33.1-176.3-63.8174.4000110.4L95 S96 V99 L120 A121L95-I123 VanDerWaalsContact C-CD1 3.46Å; L95-I123 HydrophobicContact CB-CD1 3.36Å; L95-I123 VanDerWaalsContact O-CD1 3.23Å; L95-I123 WeakPolarHBondContact O-CD1 3.15Å; L95-I123 WeakPolarHBondContact O-CG1 3.28Å; S96-I123 WeakPolarHBondContact O-CG2 3.4Å; V99-I123 HydrophobicContact CG1-CG2 4.2Å; L120-I123 HydrophobicContact CB-CD1 4.25Å; L120-I123 HydrophobicContact CD2-CD1 3.8Å; L120-I123 HydrophobicContact CG-CD1 4.43Å; L120-I123 WeakPolarHBondContact O-CB 3.42Å; L120-I123 PolarHBondContact O-N 2.99Å; A121-I123 VanDerWaalsContact C-N 3.31Å; A121-I123 PolarHBondContact O-N 3.31Å
124F77.2Confident69.1Low1 Ų155.4 Ų55.40%0.00426%0.264CS..Hα-helixtrans-79.8-27.5-177.4-77.1-113000111.1H100 L117 L120 A121 R122 M199 L200 F212 L229 L233H100-F124 AromaticContact CE1-CD1 3.68Å; H100-F124 AromaticContact CE1-CE1 3.4Å; H100-F124 VanDerWaalsContact CE1-CE1 3.4Å; H100-F124 WeakPolarHBondContact CE1-CE1 3.25Å; H100-F124 AromaticContact CE1-CE2 3.97Å; H100-F124 AromaticContact CE1-CG 3.99Å; H100-F124 AromaticContact CE1-CZ 3.58Å; H100-F124 AromaticContact NE2-CD2 3.94Å; H100-F124 AromaticContact NE2-CE2 3.89Å; H100-F124 AromaticContact NE2-CZ 3.94Å; L117-F124 HydrophobicContact CD1-CE1 3.87Å; L117-F124 HydrophobicContact CD1-CE2 4.46Å; L117-F124 HydrophobicContact CD1-CZ 3.55Å; L117-F124 HydrophobicContact CD2-CE2 4.47Å; L117-F124 HydrophobicContact CD2-CZ 3.99Å; L117-F124 HydrophobicContact CG-CZ 4.25Å; L120-F124 HydrophobicContact CB-CD2 4.15Å; L120-F124 HydrophobicContact CB-CE2 3.92Å; L120-F124 HydrophobicContact CD1-CE2 4.45Å; L120-F124 WeakPolarHBondContact O-CD2 3.48Å; L120-F124 PolarHBondContact O-N 2.81Å; A121-F124 PolarHBondContact O-N 3.25Å; R122-F124 VanDerWaalsContact C-N 3.29Å; F124-M199 HydrophobicContact CD1-CE 3.11Å; F124-M199 HydrophobicContact CE1-CE 3.44Å; F124-M199 VanDerWaalsContact CE1-CE 3.44Å; F124-M199 HydrophobicContact CG-CE 4.24Å; F124-L200 HydrophobicContact CE1-CD2 4.42Å; F124-L200 HydrophobicContact CE2-CD2 4.45Å; F124-L200 HydrophobicContact CZ-CD2 3.67Å; F124-L200 HydrophobicContact CZ-CG 4.38Å; F124-F212 HydrophobicContact CB-CZ 4.17Å; F124-F212 HydrophobicContact CD1-CE1 4.17Å; F124-F212 AromaticContact CD1-CZ 3.99Å; F124-F212 HydrophobicContact CD1-CZ 3.99Å; F124-F212 HydrophobicContact CD2-CZ 4.18Å; F124-F212 HydrophobicContact CG-CE1 4.45Å; F124-F212 AromaticContact CG-CZ 3.86Å; F124-F212 HydrophobicContact CG-CZ 3.86Å; F124-L229 HydrophobicContact CB-CD1 3.74Å; F124-L229 HydrophobicContact CB-CD2 4.07Å; F124-L229 HydrophobicContact CD1-CD1 4.12Å; F124-L229 HydrophobicContact CG-CD1 4.44Å; F124-L233 HydrophobicContact CD1-CD1 4.21Å; F124-L233 HydrophobicContact CE1-CD1 3.62Å
125S68.9Low65.6Low19 Ų1960.1 Ų60.113%0.13329%0.291CS..Hα-helixtrans-72.1-42.9174.470.60000112.8A121 R122 I127 L128 F129A121-S125 PolarHBondContact O-N 3.37Å; R122-S125 PolarHBondContact O-OG 2.84Å; S125-I127 PolarHBondContact O-N 3.24Å; S125-L128 PolarHBondContact O-N 2.76Å; S125-F129 WeakPolarHBondContact O-CD2 3.38Å; S125-F129 PolarHBondContact O-N 3Å
126H62.8Low62.2Low92 Ų9265.2 Ų65.243%0.42632%0.322SS..Hα-helixtrans-54-25.8-179.6-79.7-70.2000114.6R122 F129R122-H126 PolarHBondContact O-CD2 3.22Å; R122-H126 PolarHBondContact O-N 2.88Å; H126-F129 CarbonylContact O-C 3.37Å; H126-F129 VanDerWaalsContact O-O 3.05Å
127I57.9Low58.7Low38 Ų3876.1 Ų76.120%0.19536%0.362CS..Hα-helixtrans-73.8-39.4179.2-77.4155.1000112.2H100 S125 F197H100-I127 HydrophobicContact CB-CD1 4.14Å; H100-I127 WeakPolarHBondContact CD2-CD1 3.49Å; H100-I127 VanDerWaalsContact CG-CD1 3.42Å; H100-I127 WeakPolarHBondContact NE2-CD1 2.86Å; S125-I127 PolarHBondContact O-N 3.24Å; I127-F197 HydrophobicContact CB-CE1 4.2Å; I127-F197 HydrophobicContact CB-CE2 4.43Å; I127-F197 HydrophobicContact CB-CZ 3.98Å; I127-F197 HydrophobicContact CD1-CE1 3.96Å; I127-F197 HydrophobicContact CD1-CE2 4.24Å; I127-F197 HydrophobicContact CD1-CZ 3.38Å; I127-F197 HydrophobicContact CG1-CE1 4.16Å; I127-F197 HydrophobicContact CG1-CE2 3.91Å; I127-F197 HydrophobicContact CG1-CZ 3.48Å; I127-F197 VanDerWaalsContact CG1-CZ 3.48Å; I127-F197 HydrophobicContact CG2-CD1 3.41Å; I127-F197 VanDerWaalsContact CG2-CD1 3.41Å; I127-F197 HydrophobicContact CG2-CD2 4.02Å; I127-F197 HydrophobicContact CG2-CE1 3.11Å; I127-F197 HydrophobicContact CG2-CE2 3.74Å; I127-F197 HydrophobicContact CG2-CG 3.87Å; I127-F197 HydrophobicContact CG2-CZ 3.27Å
128L52.8Low55.4Low45 Ų4581.5 Ų81.524%0.23639%0.39CS..Hα-helixtrans-82.8-31.8179-65178.8000111.2S125 S225 K228 L229S125-L128 PolarHBondContact O-N 2.76Å; L128-S225 WeakPolarHBondContact CD1-O 3.23Å; L128-K228 HydrophobicContact CD1-CB 4.41Å; L128-K228 HydrophobicContact CD2-CD 3.85Å; L128-K228 HydrophobicContact CD2-CG 3.94Å; L128-L229 HydrophobicContact CD1-CB 3.56Å; L128-L229 HydrophobicContact CD1-CD1 4.13Å; L128-L229 HydrophobicContact CD1-CG 4.44Å
129F53.8Low52.1Low58 Ų5886.1 Ų86.125%0.25442%0.42SS..  trans-106.498178.7-52.9-77000110.4S125 H126 T131 P221 A222 S225S125-F129 WeakPolarHBondContact O-CD2 3.38Å; S125-F129 PolarHBondContact O-N 3Å; H126-F129 CarbonylContact O-C 3.37Å; H126-F129 VanDerWaalsContact O-O 3.05Å; F129-T131 HydrophobicContact CB-CG2 3.9Å; F129-T131 PolarHBondContact O-N 2.95Å; F129-P221 HydrophobicContact CE2-CB 3.63Å; F129-P221 HydrophobicContact CZ-CB 4.21Å; F129-A222 HydrophobicContact CZ-CB 4.26Å; F129-S225 WeakPolarHBondContact CE1-OG 3.45Å; F129-S225 WeakPolarHBondContact CZ-OG 3.48Å
130K45.8Very low49.1Very low176 Ų17692.3 Ų92.377%0.76546%0.456SS*.  trans-6377.6143.1-76.8-173.3177.2-178.90107K132K130-K132 PolarHBondContact O-N 2.63Å
131T35.6Very low46.1Very low82 Ų8297 Ų9750%0.50349%0.485SS..  trans-61.8123160.552.60000105.2F129 H133F129-T131 HydrophobicContact CB-CG2 3.9Å; F129-T131 PolarHBondContact O-N 2.95Å; T131-H133 PolarHBondContact O-N 3.43Å
132K34.7Very low43.5Very low204 Ų20499.1 Ų99.189%0.88750%0.5SS*.THydrogen-bonded Turntrans-58.29.3179.9-83-176.9171.5-1780114.2K130K130-K132 PolarHBondContact O-N 2.63Å
133H30.6Very low41.2Very low164 Ų16499.6 Ų99.676%0.75951%0.509SS*.THydrogen-bonded Turntrans-113.6-10.2-165.1-94.2-71000117.9T131 N135T131-H133 PolarHBondContact O-N 3.43Å; H133-N135 PolarHBondContact O-N 2.91Å
134D30.3Very low39.1Very low111 Ų111103.3 Ų103.359%0.59453%0.534SS*.  trans-98.771.6174.2-79-24.4000112.3V136D134-V136 PolarHBondContact O-N 3.07Å; D134-V136 VanDerWaalsContact O-N 3.17Å
135N24.4Very low37Very low156 Ų156108.1 Ų108.183%0.83456%0.56SS**  trans-79.336.7162.6-110.3-11.6000111.6H133 R137H133-N135 PolarHBondContact O-N 2.91Å; N135-R137 PolarHBondContact O-N 3.36Å; N135-R137 VanDerWaalsContact O-N 3.13Å
136V25.9Very low35.5Very low108 Ų108109 Ų10966%0.65557%0.568SS**  trans-79.698.6168.8-176.50000107.2D134 I138D134-V136 PolarHBondContact O-N 3.07Å; D134-V136 VanDerWaalsContact O-N 3.17Å; V136-I138 VanDerWaalsContact C-N 3.34Å; V136-I138 HydrophobicContact CG1-CG1 4.38Å; V136-I138 PolarHBondContact O-N 3.48Å
137R22.8Very low34.3Very low240 Ų240109.6 Ų109.691%0.90657%0.574SS**  trans-55.993.5170.1-69.2178.8175.5-179.3-2.1109.5N135N135-R137 PolarHBondContact O-N 3.36Å; N135-R137 VanDerWaalsContact O-N 3.13Å
138I25.5Very low33.5Very low113 Ų113111.6 Ų111.658%0.57959%0.588SS**  trans-87.9118.7162.6-58.3176.6000106.5V136 V140V136-I138 VanDerWaalsContact C-N 3.34Å; V136-I138 HydrophobicContact CG1-CG1 4.38Å; V136-I138 PolarHBondContact O-N 3.48Å; I138-V140 PolarHBondContact O-N 3.14Å
139P23.3Very low32.9Very low107 Ų107113.9 Ų113.970%0.69561%0.607SS**  trans-59126.7-178.721.4-29.8000110.5V141P139-V141 PolarHBondContact O-N 2.98Å; P139-V141 VanDerWaalsContact O-N 3.1Å
140V26.9Very low32.3Very low134 Ų134115.5 Ų115.581%0.81262%0.619SS**  trans-7495.8173.2179.10000107I138 S142I138-V140 PolarHBondContact O-N 3.14Å; V140-S142 PolarHBondContact O-N 3.33Å
141V25.7Very low31.8Very low101 Ų101112.2 Ų112.261%0.61261%0.607SS**  trans-73.4121.3161.4-177.80000106.3P139 D145P139-V141 PolarHBondContact O-N 2.98Å; P139-V141 VanDerWaalsContact O-N 3.1Å; V141-D145 HydrophobicContact CG1-CB 3.93Å
142S30.2Very low31.7Very low46 Ų46112 Ų11232%0.32261%0.607SS.*  trans-55.3138.5177.7-178.70000110V140 S144 D145 A146V140-S142 PolarHBondContact O-N 3.33Å; S142-S144 PolarHBondContact O-N 3.45Å; S142-S144 VanDerWaalsContact O-N 3.1Å; S142-D145 PolarHBondContact O-N 2.7Å; S142-A146 PolarHBondContact O-N 3.05Å; S142-A146 VanDerWaalsContact O-N 3.14Å
143L30.4Very low32Very low96 Ų96106.8 Ų106.850%0.50360%0.596SS.*Hα-helixtrans-53.7-32.1177-75.8168.4000111.7L102 D145 L147L102-L143 HydrophobicContact CD2-CD2 4.3Å; L143-D145 VanDerWaalsContact C-N 3.35Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 VanDerWaalsContact O-CG 3.26Å; L143-L147 WeakPolarHBondContact O-CG 3.08Å; L143-L147 PolarHBondContact O-N 3.04Å
144S36.2Very low32.4Very low78 Ų78107.8 Ų107.855%0.54560%0.601SS.*Hα-helixtrans-62.6-40.7174.8-500000112S142 V148S142-S144 PolarHBondContact O-N 3.45Å; S142-S144 VanDerWaalsContact O-N 3.1Å; S144-V148 WeakPolarHBondContact O-CB 3.24Å; S144-V148 WeakPolarHBondContact O-CG2 3.43Å; S144-V148 PolarHBondContact O-N 2.95Å
145D32Very low32.8Very low103 Ų103105.4 Ų105.455%0.55159%0.594SS**Hα-helixtrans-75-35.3-178.5-63-32000111.6V141 S142 L143 S149V141-D145 HydrophobicContact CG1-CB 3.93Å; S142-D145 PolarHBondContact O-N 2.7Å; L143-D145 VanDerWaalsContact C-N 3.35Å; D145-S149 WeakPolarHBondContact O-CB 3.39Å; D145-S149 PolarHBondContact O-N 3.34Å; D145-S149 VanDerWaalsContact O-N 3.13Å
146A38.6Very low33.4Very low36 Ų36104.9 Ų104.930%0.29858%0.58SS.*Hα-helixtrans-67.9-42.917500000111.8S142 S149 L150S142-A146 PolarHBondContact O-N 3.05Å; S142-A146 VanDerWaalsContact O-N 3.14Å; A146-S149 PolarHBondContact O-N 3.41Å; A146-L150 WeakPolarHBondContact O-CD1 3.38Å; A146-L150 VanDerWaalsContact O-CG 3.22Å; A146-L150 WeakPolarHBondContact O-CG 3.48Å; A146-L150 PolarHBondContact O-N 3.32Å
147L36.1Very low34Very low106 Ų106107.7 Ų107.756%0.55559%0.586SS**Hα-helixtrans-70.7-36.1179.1-70.2171.2000112.5L143 S149 L150 M151L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 VanDerWaalsContact O-CG 3.26Å; L143-L147 WeakPolarHBondContact O-CG 3.08Å; L143-L147 PolarHBondContact O-N 3.04Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-L150 PolarHBondContact O-N 3.01Å; L147-M151 WeakPolarHBondContact O-CG 3.43Å; L147-M151 PolarHBondContact O-N 3.33Å
148V41.4Very low34.6Very low80 Ų80102.9 Ų102.949%0.48558%0.577SS.*Hα-helixtrans-68.2-32.5175.3170.50000111.6S144 L150S144-V148 WeakPolarHBondContact O-CB 3.24Å; S144-V148 WeakPolarHBondContact O-CG2 3.43Å; S144-V148 PolarHBondContact O-N 2.95Å; V148-L150 VanDerWaalsContact C-N 3.27Å; V148-L150 PolarHBondContact O-N 2.93Å
149S41.6Very low35.3Very low92 Ų9299.6 Ų99.664%0.64357%0.567SS**Hα-helixtrans-71.6-21.5175.2-169.20000113.5D145 A146 L147D145-S149 WeakPolarHBondContact O-CB 3.39Å; D145-S149 PolarHBondContact O-N 3.34Å; D145-S149 VanDerWaalsContact O-N 3.13Å; A146-S149 PolarHBondContact O-N 3.41Å; L147-S149 VanDerWaalsContact C-N 3.32Å
150L40.7Very low35.9Very low93 Ų93100 Ų10049%0.48756%0.564SS.*THydrogen-bonded Turntrans-96.9-3.2-175.9-68166.6000113.4M44 A146 L147 V148M44-L150 HydrophobicContact CE-CD2 4.29Å; A146-L150 WeakPolarHBondContact O-CD1 3.38Å; A146-L150 VanDerWaalsContact O-CG 3.22Å; A146-L150 WeakPolarHBondContact O-CG 3.48Å; A146-L150 PolarHBondContact O-N 3.32Å; L147-L150 PolarHBondContact O-N 3.01Å; V148-L150 VanDerWaalsContact C-N 3.27Å; V148-L150 PolarHBondContact O-N 2.93Å
151M34.6Very low36.2Very low106 Ų106100.9 Ų100.952%0.52256%0.56SS.*SBendtrans-84.1127178.6-74.8-92.5151.400110.9L147L147-M151 WeakPolarHBondContact O-CG 3.43Å; L147-M151 PolarHBondContact O-N 3.33Å
152P33.1Very low36.9Very low77 Ų77103.3 Ų103.350%0.557%0.565SS.*  trans-55.7142.7173.4-25.633.9000111.7Q154 S155P152-Q154 PolarHBondContact O-N 2.78Å; P152-S155 PolarHBondContact O-N 3.01Å
153S41.7Very low37.3Very low95 Ų95109.8 Ų109.866%0.66459%0.588SS**G310 helixtrans-54.2-18.7-167.342.20000116.1
154Q38.9Very low37.4Very low185 Ų185116.4 Ų116.486%0.86461%0.606SS**G310 helixtrans-75.9-18.4174.9-66-171.519.900114P152P152-Q154 PolarHBondContact O-N 2.78Å
155S39.7Very low37Very low62 Ų62121 Ų12143%0.43462%0.618SS.*G310 helixtrans-93.3-3.7179-57.60000113.9P152 Q157 L158P152-S155 PolarHBondContact O-N 3.01Å; S155-Q157 VanDerWaalsContact C-N 3.27Å; S155-Q157 PolarHBondContact O-N 3.28Å; S155-L158 PolarHBondContact O-N 3.35Å
156R37Very low36.8Very low145 Ų145119.9 Ų119.955%0.54763%0.632SS.*Hα-helixtrans-62.9-28.6-178.7-76.1-175.7176.9-176.5-0.9113.8L158 A159 D160R156-L158 PolarHBondContact O-N 3.17Å; R156-A159 PolarHBondContact O-N 3.36Å; R156-D160 PolarHBondContact O-N 3.45Å
157Q38.1Very low36.3Very low166 Ų166122.6 Ų122.678%0.77665%0.654SS**Hα-helixtrans-67.4-23.4-179.3-69.7-173-17.800113.5S155S155-Q157 VanDerWaalsContact C-N 3.27Å; S155-Q157 PolarHBondContact O-N 3.28Å
158L35.8Very low35.8Very low139 Ų139124.7 Ų124.773%0.72866%0.664SS**Hα-helixtrans-80.1-33.3175.8-113.9112.9000112.6S155 R156 M161S155-L158 PolarHBondContact O-N 3.35Å; R156-L158 PolarHBondContact O-N 3.17Å; L158-M161 PolarHBondContact O-N 2.83Å
159A38.7Very low35.1Very low44 Ų44127 Ų12736%0.36468%0.679SS.*Hα-helixtrans-71.4-35.117900000112.3R156 M161 Q162R156-A159 PolarHBondContact O-N 3.36Å; A159-M161 VanDerWaalsContact C-N 3.28Å; A159-M161 PolarHBondContact O-N 3.29Å; A159-Q162 PolarHBondContact O-N 3.35Å
160D36.7Very low34.4Very low117 Ų117128.9 Ų128.963%0.62668%0.681SS**Hα-helixtrans-70.7-21.9177.8-83.2-23.2000113.4R156R156-D160 PolarHBondContact O-N 3.45Å
161M32.5Very low33.7Very low151 Ų151131.1 Ų131.174%0.74469%0.693SS**Hα-helixtrans-72.6-32.6172.3-72.9-164.97100112.5L158 A159 K163 R164L158-M161 PolarHBondContact O-N 2.83Å; A159-M161 VanDerWaalsContact C-N 3.28Å; A159-M161 PolarHBondContact O-N 3.29Å; M161-K163 VanDerWaalsContact C-N 3.28Å; M161-K163 PolarHBondContact O-N 3.29Å; M161-R164 PolarHBondContact O-N 3.33Å
162Q41.8Very low33.4Very low152 Ų152134.2 Ų134.271%0.7171%0.706SS**Hα-helixtrans-76.3-14.7-180-72.2-173.9-26.200113.5A159 R164A159-Q162 PolarHBondContact O-N 3.35Å; Q162-R164 PolarHBondContact O-N 2.93Å
163K37.8Very low33Very low183 Ų183137.9 Ų137.980%0.79672%0.722SS**THydrogen-bonded Turntrans-72.7-9173.7-152.1173.1-174.9174.70113.6M161M161-K163 VanDerWaalsContact C-N 3.28Å; M161-K163 PolarHBondContact O-N 3.29Å
164R31.5Very low32.2Very low235 Ų235140.9 Ų140.989%0.88773%0.727SS**THydrogen-bonded Turntrans-93.1-12.4177.8-93.3-175.4171.9178.8-1.2115M161 Q162M161-R164 PolarHBondContact O-N 3.33Å; Q162-R164 PolarHBondContact O-N 2.93Å
165E29.6Very low31.6Very low173 Ų173137.9 Ų137.981%0.80872%0.722SS**SBendtrans-104.2106.4175.6-73.5-175.4162.600109.6A167E165-A167 PolarHBondContact O-N 2.87Å
166G27.3Very low31.1Very low81 Ų81145.9 Ų145.984%0.83574%0.743SS**  trans-63.3124.5-173.200000113.5
167A28Very low30.4Very low92 Ų92144.8 Ų144.876%0.7676%0.757SS**  trans-14972.9153.800000108.3E165 T169E165-A167 PolarHBondContact O-N 2.87Å; A167-T169 PolarHBondContact O-N 2.9Å
168I26Very low29.7Very low151 Ų151140.1 Ų140.177%0.77475%0.754SS**  trans-77.994.9167.5-56.4171.9000106.2N170I168-N170 WeakPolarHBondContact CG2-OD1 3.5Å
169T26.8Very low29.3Very low127 Ų127140.7 Ų140.778%0.77976%0.756SS**  trans-93.2102.5154.853.60000106.8A167 L171A167-T169 PolarHBondContact O-N 2.9Å; T169-L171 PolarHBondContact O-N 2.76Å
170N25.5Very low28.6Very low132 Ų132146.6 Ų146.671%0.70678%0.782SS**  trans-46.5111.4173.5-73.9-36.4000110.2I168 E172I168-N170 WeakPolarHBondContact CG2-OD1 3.5Å; N170-E172 PolarHBondContact O-N 2.92Å
171L26.8Very low28.3Very low141 Ų141146 Ų14674%0.73879%0.786SS**THydrogen-bonded Turntrans-88.533.4178.6-165.965.9000111.5T169T169-L171 PolarHBondContact O-N 2.76Å
172E27.8Very low27.8Very low170 Ų170146.4 Ų146.479%0.79479%0.791SS**THydrogen-bonded Turntrans-93.6-10.8170.1-68-171.2158.200112.2N170 M174N170-E172 PolarHBondContact O-N 2.92Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 2.81Å
173D25.1Very low27.2Very low154 Ų154148 Ų14882%0.82480%0.799SS**  trans-90.521.4179.8-93-12.5000115
174M25.8Very low26.6Very low158 Ų158144.5 Ų144.578%0.77880%0.798SS**  trans-110.343.1168.1-70.2-119.1153.500111.7E172 W176E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 2.81Å; M174-W176 PolarHBondContact O-N 2.88Å
175T25.7Very low26.2Very low123 Ų123136.9 Ų136.976%0.75579%0.792SS**SBendtrans-74.1111.7150.7-41.80000105.9S177T175-S177 PolarHBondContact O-N 3.2Å
176W28.5Very low26Very low230 Ų230134.1 Ų134.187%0.87179%0.792SS**  trans-49.7108.6-175.9-71.677.4000111M174 G178M174-W176 PolarHBondContact O-N 2.88Å; W176-G178 PolarHBondContact O-N 3.01Å
177S22.3Very low26Very low122 Ų122135.9 Ų135.985%0.85379%0.791SS**  trans-67.1125.2-178.656.10000111.4T175T175-S177 PolarHBondContact O-N 3.2Å
178G23Very low26.2Very low68 Ų68136.2 Ų136.270%0.70179%0.794SS**  trans99.2122.9161.800000113.5W176W176-G178 PolarHBondContact O-N 3.01Å
179I27.9Very low26.2Very low150 Ų150134.4 Ų134.477%0.76980%0.795SS**  cis-150.9111.818.2-81.4160.7000106.3
180D25.4Very low26.5Very low169 Ų169134.8 Ų134.890%0.90480%0.8SS**  trans-79.8118.5138.3-80.2-36.7000105.4
181S28.4Very low26.6Very low103 Ų103132 Ų13272%0.7280%0.803SS**  trans-166.799.3153.4-73.60000106.9E183S181-E183 PolarHBondContact O-N 3.03Å
182D23.7Very low26.9Very low160 Ų160130.6 Ų130.686%0.85680%0.804SS**  trans-42.1124.4139.7-66-45.6000108.6
183E27.4Very low27.3Very low185 Ų185128 Ų12886%0.86481%0.805SS**  172.2148.4124.7-92.5-164.5162.200111.9S181S181-E183 PolarHBondContact O-N 3.03Å
184S25.2Very low28.1Very low111 Ų111124.3 Ų124.378%0.77680%0.796SS**  trans-43.6139173.546.60000117
185G23.4Very low29.4Very low75 Ų75119.8 Ų119.877%0.77378%0.78SS**  trans103.3137.3139.200000117.4
186S25.4Very low31.2Very low115 Ų115121.6 Ų121.680%0.80479%0.785SS**  trans85.8108.1161.9-175.30000118.4A188S186-A188 PolarHBondContact O-N 3.24Å
187S27.3Very low33.3Very low117 Ų117113.7 Ų113.782%0.81876%0.757SS**  trans-37.5118.4162.250.90000116
188A32Very low36.2Very low99 Ų99114.1 Ų114.182%0.81874%0.743SS**  trans-160131150.300000110.8S186S186-A188 PolarHBondContact O-N 3.24Å
189S26.2Very low39.3Very low114 Ų114111.1 Ų111.180%0.79771%0.711SS**  trans-11.9141.4177.6-50.80000121.3G191S189-G191 PolarHBondContact O-N 2.88Å
190P33.7Very low42.4Very low135 Ų135104 Ų10488%0.87767%0.674SS**  trans-74100176.831-31.8000110.7S192P190-S192 PolarHBondContact O-N 2.65Å; P190-S192 VanDerWaalsContact O-N 3.13Å
191G27.1Very low45.6Very low74 Ų7496 Ų9676%0.76363%0.631SS**  trans-66.8103.9163.100000109.5S189 S193S189-G191 PolarHBondContact O-N 2.88Å; G191-S193 PolarHBondContact O-N 3.06Å
192S34Very low48.6Very low111 Ų11192.6 Ų92.678%0.77661%0.61SS**  trans-57.1100.5167.3156.10000109.3P190 A194P190-S192 PolarHBondContact O-N 2.65Å; P190-S192 VanDerWaalsContact O-N 3.13Å; S192-A194 VanDerWaalsContact C-N 3.29Å; S192-A194 PolarHBondContact O-N 2.76Å
193S36.5Very low51.9Low114 Ų11485.5 Ų85.580%0.79757%0.573SS**  trans-65.495.1160.747.10000107.7G191 S195G191-S193 PolarHBondContact O-N 3.06Å; S193-S195 PolarHBondContact O-N 3.37Å
194A41.2Very low55.1Low77 Ų7776.7 Ų76.764%0.63653%0.532SS*.  trans-57.2106.6175.900000108.5S192 N196S192-A194 VanDerWaalsContact C-N 3.29Å; S192-A194 PolarHBondContact O-N 2.76Å; A194-N196 PolarHBondContact O-N 3.47Å; A194-N196 VanDerWaalsContact O-N 3.08Å
195S52.8Low58.3Low64 Ų6474.7 Ų74.745%0.44852%0.515SS..  trans-66.1110.3175.254.10000108S193 F197S193-S195 PolarHBondContact O-N 3.37Å; S195-F197 PolarHBondContact O-N 3.06Å
196N63.4Low61.7Low160 Ų16074.5 Ų74.586%0.85650%0.497SS*.  trans-65.621.5172.2-76.8-32.4000113.4A194 K198A194-N196 PolarHBondContact O-N 3.47Å; A194-N196 VanDerWaalsContact O-N 3.08Å; N196-K198 PolarHBondContact O-N 2.88Å
197F73Confident65.1Low64 Ų6469 Ų6928%0.28146%0.458SS..  trans-73.6127-179.1-177.2-86.8000109.1H100 I127 S195 M199H100-F197 HydrophobicContact CB-CE1 4.27Å; H100-F197 HydrophobicContact CB-CE2 4.26Å; H100-F197 HydrophobicContact CB-CZ 3.48Å; H100-F197 VanDerWaalsContact CB-CZ 3.48Å; H100-F197 AromaticContact CG-CZ 3.9Å; I127-F197 HydrophobicContact CB-CE1 4.2Å; I127-F197 HydrophobicContact CB-CE2 4.43Å; I127-F197 HydrophobicContact CB-CZ 3.98Å; I127-F197 HydrophobicContact CD1-CE1 3.96Å; I127-F197 HydrophobicContact CD1-CE2 4.24Å; I127-F197 HydrophobicContact CD1-CZ 3.38Å; I127-F197 HydrophobicContact CG1-CE1 4.16Å; I127-F197 HydrophobicContact CG1-CE2 3.91Å; I127-F197 HydrophobicContact CG1-CZ 3.48Å; I127-F197 VanDerWaalsContact CG1-CZ 3.48Å; I127-F197 HydrophobicContact CG2-CD1 3.41Å; I127-F197 VanDerWaalsContact CG2-CD1 3.41Å; I127-F197 HydrophobicContact CG2-CD2 4.02Å; I127-F197 HydrophobicContact CG2-CE1 3.11Å; I127-F197 HydrophobicContact CG2-CE2 3.74Å; I127-F197 HydrophobicContact CG2-CG 3.87Å; I127-F197 HydrophobicContact CG2-CZ 3.27Å; S195-F197 PolarHBondContact O-N 3.06Å; F197-M199 HydrophobicContact CD1-CG 4.35Å; F197-M199 HydrophobicContact CE1-CG 3.8Å
198K83.6Confident68.5Low132 Ų13267.3 Ų67.357%0.57444%0.437SS*.  trans-111.3130.9175.3-67.8-175.3179.6-177.40109.4T104 N196 A202T104-K198 HydrophobicContact CG2-CB 3.87Å; N196-K198 PolarHBondContact O-N 2.88Å; K198-A202 HydrophobicContact CB-CB 3.91Å; K198-A202 HydrophobicContact CD-CB 4.22Å; K198-A202 HydrophobicContact CG-CB 4.4Å
199M89Confident71.6Confident4 Ų463.4 Ų63.42%0.0241%0.405CS..  trans-73158.6171.1-68.5-174.574.500110.9T104 F124 F197 T201 A202 L229 E232 L233T104-M199 WeakPolarHBondContact CG2-O 3.31Å; F124-M199 HydrophobicContact CD1-CE 3.11Å; F124-M199 HydrophobicContact CE1-CE 3.44Å; F124-M199 VanDerWaalsContact CE1-CE 3.44Å; F124-M199 HydrophobicContact CG-CE 4.24Å; F197-M199 HydrophobicContact CD1-CG 4.35Å; F197-M199 HydrophobicContact CE1-CG 3.8Å; M199-T201 PolarHBondContact O-N 3.23Å; M199-A202 WeakPolarHBondContact O-CB 3.42Å; M199-A202 PolarHBondContact O-N 3.09Å; M199-L229 HydrophobicContact CE-CD1 3.48Å; M199-L229 VanDerWaalsContact CE-CD1 3.48Å; M199-L229 HydrophobicContact SD-CD1 4.05Å; M199-E232 HydrophobicContact CG-CB 3.98Å; M199-E232 HydrophobicContact SD-CB 3.37Å; M199-E232 WeakPolarHBondContact SD-CB 3.38Å; M199-L233 HydrophobicContact CE-CB 3.76Å; M199-L233 HydrophobicContact CE-CD1 3.57Å; M199-L233 HydrophobicContact CE-CG 4.24Å; M199-L233 VanDerWaalsContact SD-CA 3.51Å; M199-L233 HydrophobicContact SD-CB 3.82Å; M199-L233 HydrophobicContact SD-CD1 4.45Å; M199-L233 PolarHBondContact SD-N 3.19Å
200L91.1Very high75.1Confident1 Ų158 Ų581%0.00537%0.367CS..G310 helixtrans-57-26.8-177.56787.7000113.2V99 H100 I103 L115 L117 F124 A202 A203 M204V99-L200 HydrophobicContact CG1-CD2 4.48Å; H100-L200 PolarHBondContact ND1-N 3.5Å; I103-L200 HydrophobicContact CB-CB 4.48Å; I103-L200 HydrophobicContact CD1-CB 4.08Å; I103-L200 HydrophobicContact CG2-CB 4.41Å; L115-L200 HydrophobicContact CD2-CD1 3.85Å; L117-L200 HydrophobicContact CD2-CD1 4.44Å; L117-L200 HydrophobicContact CD2-CD2 4.3Å; F124-L200 HydrophobicContact CE1-CD2 4.42Å; F124-L200 HydrophobicContact CE2-CD2 4.45Å; F124-L200 HydrophobicContact CZ-CD2 3.67Å; F124-L200 HydrophobicContact CZ-CG 4.38Å; L200-A202 PolarHBondContact O-N 3.04Å; L200-A203 WeakPolarHBondContact O-CB 3.18Å; L200-A203 PolarHBondContact O-N 3.32Å; L200-M204 HydrophobicContact CD1-CE 3.51Å; L200-M204 HydrophobicContact CD1-SD 4.04Å
201T92.7Very high78.1Confident0 Ų052.3 Ų52.30%033%0.329CS..G310 helixtrans-63.9-19.717547.80000113.2L115 M199 A203 M204 M210 L233 T237L115-T201 HydrophobicContact CD2-CG2 4.11Å; M199-T201 PolarHBondContact O-N 3.23Å; T201-A203 PolarHBondContact O-N 3.48Å; T201-M204 CarbonylContact O-C 3.22Å; T201-M204 WeakPolarHBondContact O-CA 3.09Å; T201-M204 PolarHBondContact O-N 2.96Å; T201-M210 HydrophobicContact CG2-CE 3.55Å; T201-L233 WeakPolarHBondContact CB-O 3.29Å; T201-L233 HydrophobicContact CG2-CD1 3.5Å; T201-L233 VanDerWaalsContact CG2-CD1 3.5Å; T201-L233 HydrophobicContact CG2-CG 4.24Å; T201-L233 WeakPolarHBondContact CG2-O 3.47Å; T201-L233 PolarHBondContact OG1-O 2.92Å; T201-T237 HydrophobicContact CG2-CG2 4.43Å
202A92.8Very high81.4Confident33 Ų3348.8 Ų48.827%0.27329%0.293SS..G310 helixtrans-63.8-19.2171.400000113.1T104 K198 M199 L200 M204 P236T104-A202 HydrophobicContact CG2-CB 4.19Å; K198-A202 HydrophobicContact CB-CB 3.91Å; K198-A202 HydrophobicContact CD-CB 4.22Å; K198-A202 HydrophobicContact CG-CB 4.4Å; M199-A202 WeakPolarHBondContact O-CB 3.42Å; M199-A202 PolarHBondContact O-N 3.09Å; L200-A202 PolarHBondContact O-N 3.04Å; A202-M204 VanDerWaalsContact C-N 3.34Å; A202-P236 HydrophobicContact CB-CG 4.07Å
203A93.3Very high84.3Confident10 Ų1048.4 Ų48.48%0.08328%0.275CS..G310 helixtrans-85-5.6171.500000113.2I103 I107 L109 L200 T201I103-A203 HydrophobicContact CG2-CB 3.77Å; I107-A203 WeakPolarHBondContact O-CB 3.26Å; L109-A203 CarbonylContact C-O 3.33Å; L109-A203 WeakPolarHBondContact CA-O 3.18Å; L109-A203 PolarHBondContact N-O 2.87Å; L200-A203 WeakPolarHBondContact O-CB 3.18Å; L200-A203 PolarHBondContact O-N 3.32Å; T201-A203 PolarHBondContact O-N 3.48Å
204M94.7Very high86.8Confident0 Ų043.6 Ų43.60%024%0.242CC..  trans-125.164-167.9-57.2174.1-172.200111.6L87 L109 M112 L115 L200 T201 A202 N206 L207L87-M204 HydrophobicContact CD2-CE 4.2Å; L109-M204 HydrophobicContact CB-CG 4.04Å; L109-M204 HydrophobicContact CD1-CE 3.59Å; L109-M204 HydrophobicContact CD1-CG 4.16Å; M112-M204 HydrophobicContact CB-CB 4.27Å; M112-M204 HydrophobicContact CB-CG 4.11Å; M112-M204 HydrophobicContact CE-CE 4.25Å; M112-M204 HydrophobicContact CG-CB 4.48Å; M112-M204 HydrophobicContact CG-CG 4.11Å; M112-M204 HydrophobicContact CG-SD 3.98Å; L115-M204 HydrophobicContact CD1-CE 4.01Å; L115-M204 HydrophobicContact CD1-SD 4.14Å; L115-M204 HydrophobicContact CD2-CE 4.37Å; L115-M204 HydrophobicContact CD2-SD 3.72Å; L115-M204 HydrophobicContact CG-SD 4.34Å; L200-M204 HydrophobicContact CD1-CE 3.51Å; L200-M204 HydrophobicContact CD1-SD 4.04Å; T201-M204 CarbonylContact O-C 3.22Å; T201-M204 WeakPolarHBondContact O-CA 3.09Å; T201-M204 PolarHBondContact O-N 2.96Å; A202-M204 VanDerWaalsContact C-N 3.34Å; M204-N206 VanDerWaalsContact C-N 3.28Å; M204-N206 PolarHBondContact O-N 2.94Å; M204-L207 HydrophobicContact CB-CB 4.4Å; M204-L207 WeakPolarHBondContact O-CB 3.25Å; M204-L207 PolarHBondContact O-N 3.42Å
205T90.8Very high88.8Confident69 Ų6941.5 Ų41.542%0.42322%0.22SC..THydrogen-bonded Turntrans-71.4-17.3-172.653.40000114.8N239T205-N239 PolarHBondContact O-ND2 2.8Å
206N95Very high89.4Confident71 Ų7147.2 Ų47.238%0.3824%0.243SC..THydrogen-bonded Turntrans-103.316.7179.3-68.1-39000113.1E110 M112 M204 Q208E110-N206 WeakPolarHBondContact O-CB 3.43Å; E110-N206 PolarHBondContact O-ND2 2.79Å; M112-N206 CarbonylContact O-C 3.21Å; M112-N206 VanDerWaalsContact O-C 3.25Å; M204-N206 VanDerWaalsContact C-N 3.28Å; M204-N206 PolarHBondContact O-N 2.94Å; N206-Q208 WeakPolarHBondContact O-CG 3.29Å; N206-Q208 PolarHBondContact O-N 2.85Å
207L97.3Very high89.6Confident0 Ų042.7 Ų42.70%023%0.234CC..  trans-60.7129.8-179.4-165.471.8000110.9M112 L115 M204 M210 T237 N239 L240M112-L207 HydrophobicContact CG-CD1 3.99Å; M112-L207 PolarHBondContact O-N 3.42Å; L115-L207 HydrophobicContact CB-CD1 3.62Å; L115-L207 HydrophobicContact CB-CD2 4.14Å; L115-L207 HydrophobicContact CD2-CD2 4.29Å; M204-L207 HydrophobicContact CB-CB 4.4Å; M204-L207 WeakPolarHBondContact O-CB 3.25Å; M204-L207 PolarHBondContact O-N 3.42Å; L207-M210 HydrophobicContact CD2-CB 4.14Å; L207-M210 HydrophobicContact CD2-CE 3.33Å; L207-M210 HydrophobicContact CD2-CG 4.49Å; L207-T237 HydrophobicContact CB-CG2 4.25Å; L207-T237 HydrophobicContact CD2-CG2 3.94Å; L207-N239 CarbonylContact O-C 3.54Å; L207-N239 VanDerWaalsContact O-C 3.27Å; L207-L240 HydrophobicContact CD2-CD1 4.05Å; L207-L240 HydrophobicContact CG-CD1 4.07Å; L207-L240 PolarHBondContact O-N 2.75Å
208Q98.1Very high89.3Confident81 Ų8140.5 Ų40.538%0.37923%0.23SC..  trans-112.4-28.2-176.7-59.2-175.6-12.200112.1K113 N206 R241 Y242K113-Q208 HydrophobicContact CB-CG 4.38Å; K113-Q208 HydrophobicContact CG-CG 4.4Å; K113-Q208 CarbonylContact O-C 3.48Å; K113-Q208 WeakPolarHBondContact O-CA 3.48Å; K113-Q208 PolarHBondContact O-N 2.9Å; N206-Q208 WeakPolarHBondContact O-CG 3.29Å; N206-Q208 PolarHBondContact O-N 2.85Å; Q208-R241 WeakPolarHBondContact O-CA 3.42Å; Q208-R241 PolarHBondContact O-N 2.97Å; Q208-Y242 PolarHBondContact O-N 2.93Å
209A98.4Very high88.6Confident17 Ų1741.6 Ų41.614%0.1424%0.242CC..EExtended strand (participates in β ladder)trans-137.8132179.800000110.4K113 F114 L115 Y242K113-A209 PolarHBondContact O-N 3.36Å; F114-A209 WeakPolarHBondContact CA-O 3.43Å; F114-A209 HydrophobicContact CD2-CB 3.72Å; F114-A209 HydrophobicContact CE2-CB 4.39Å; L115-A209 PolarHBondContact N-O 3.15Å; A209-Y242 WeakPolarHBondContact CA-O 3.4Å; A209-Y242 HydrophobicContact CB-CD1 4.33Å; A209-Y242 HydrophobicContact CB-CG 4.44Å
210M98.1Very high87.9Confident0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-130.1130.3173.7-170.2-176-61.200110L115 L117 T201 L207 L233 L234 T237 L240 Y242 L243 D244L115-M210 HydrophobicContact CD2-CE 4.38Å; L115-M210 CarbonylContact O-C 3.59Å; L115-M210 VanDerWaalsContact O-CA 3.29Å; L115-M210 WeakPolarHBondContact O-CA 3.18Å; L117-M210 HydrophobicContact CD1-SD 4.43Å; T201-M210 HydrophobicContact CG2-CE 3.55Å; L207-M210 HydrophobicContact CD2-CB 4.14Å; L207-M210 HydrophobicContact CD2-CE 3.33Å; L207-M210 HydrophobicContact CD2-CG 4.49Å; M210-L233 HydrophobicContact CE-CD1 4.46Å; M210-L233 HydrophobicContact CE-CG 4.23Å; M210-L233 HydrophobicContact SD-CD1 4.41Å; M210-L233 HydrophobicContact SD-CD2 3.82Å; M210-L233 HydrophobicContact SD-CG 4.03Å; M210-L234 HydrophobicContact CE-CD2 3.99Å; M210-L234 HydrophobicContact SD-CD2 3.96Å; M210-T237 HydrophobicContact CE-CG2 4.13Å; M210-L240 HydrophobicContact CB-CD1 3.9Å; M210-L240 HydrophobicContact CB-CD2 4.46Å; M210-Y242 PolarHBondContact N-O 2.76Å; M210-L243 HydrophobicContact CB-CD1 4.17Å; M210-L243 WeakPolarHBondContact O-CA 3.2Å; M210-D244 PolarHBondContact O-N 3.23Å
211I97.6Very high87.2Confident16 Ų1643.5 Ų43.58%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-111.2123.5167.4-53.4-172.8000107.1F114 L115 D116 L117 S118 R213 Y242 D244F114-I211 HydrophobicContact CE2-CD1 3.93Å; F114-I211 HydrophobicContact CE2-CG1 4.13Å; F114-I211 HydrophobicContact CZ-CD1 3.65Å; F114-I211 HydrophobicContact CZ-CG1 4.02Å; L115-I211 PolarHBondContact O-N 3.11Å; D116-I211 WeakPolarHBondContact CA-O 3.38Å; D116-I211 HydrophobicContact CB-CB 4.2Å; L117-I211 PolarHBondContact N-O 3.05Å; S118-I211 VanDerWaalsContact OG-CG2 3.31Å; S118-I211 WeakPolarHBondContact OG-CG2 3.44Å; I211-R213 HydrophobicContact CG2-CG 3.89Å; I211-Y242 HydrophobicContact CG1-CE1 4.07Å; I211-D244 HydrophobicContact CB-CB 4.46Å; I211-D244 HydrophobicContact CG1-CB 4.32Å; I211-D244 HydrophobicContact CG2-CB 4.13Å
212F95.8Very high86.5Confident0 Ų046.3 Ų46.30%028%0.275CS..  trans-141.572176-171.5-161000109.7L117 A121 F124 L229 F230 L233 D244 L245 W248L117-F212 HydrophobicContact CB-CB 4.34Å; L117-F212 HydrophobicContact CB-CD2 3.67Å; L117-F212 HydrophobicContact CB-CE2 4.16Å; L117-F212 HydrophobicContact CB-CG 4.1Å; L117-F212 VanDerWaalsContact O-CD2 3.26Å; L117-F212 WeakPolarHBondContact O-CD2 3.21Å; L117-F212 WeakPolarHBondContact O-CE2 3.31Å; A121-F212 HydrophobicContact CB-CE2 4.41Å; A121-F212 HydrophobicContact CB-CZ 4.46Å; F124-F212 HydrophobicContact CB-CZ 4.17Å; F124-F212 HydrophobicContact CD1-CE1 4.17Å; F124-F212 AromaticContact CD1-CZ 3.99Å; F124-F212 HydrophobicContact CD1-CZ 3.99Å; F124-F212 HydrophobicContact CD2-CZ 4.18Å; F124-F212 HydrophobicContact CG-CE1 4.45Å; F124-F212 AromaticContact CG-CZ 3.86Å; F124-F212 HydrophobicContact CG-CZ 3.86Å; F212-L229 HydrophobicContact CE1-CD2 4.42Å; F212-F230 AromaticContact CD1-CE1 3.72Å; F212-F230 HydrophobicContact CD1-CE1 3.72Å; F212-F230 HydrophobicContact CD1-CZ 4.06Å; F212-F230 HydrophobicContact CE1-CE1 4.17Å; F212-F230 HydrophobicContact CE1-CZ 4.28Å; F212-L233 HydrophobicContact CD1-CD2 3.45Å; F212-L233 VanDerWaalsContact CD1-CD2 3.45Å; F212-L233 HydrophobicContact CE1-CD2 3.7Å; F212-D244 CarbonylContact C-O 3.4Å; F212-D244 PolarHBondContact N-O 2.93Å; F212-L245 HydrophobicContact CB-CD2 4.16Å; F212-W248 HydrophobicContact CD1-CZ2 4.02Å; F212-W248 HydrophobicContact CD2-CZ2 4.32Å; F212-W248 HydrophobicContact CE1-CH2 4.21Å; F212-W248 AromaticContact CE1-CZ2 3.72Å; F212-W248 HydrophobicContact CE1-CZ2 3.72Å; F212-W248 HydrophobicContact CE2-CZ2 4.06Å; F212-W248 HydrophobicContact CG-CZ2 4.32Å; F212-W248 HydrophobicContact CZ-CH2 4.16Å; F212-W248 AromaticContact CZ-CZ2 3.76Å; F212-W248 HydrophobicContact CZ-CZ2 3.76Å; F212-W248 PolarHBondContact O-NE1 3.11Å
213R94.5Very high85.8Confident104 Ų10448.1 Ų48.139%0.39228%0.282SS..PPolyproline II helixtrans-75.7149.2177.3-57.9179-172.2133.50.4111.3S118 G119 I211 D244 S246S118-R213 PolarHBondContact OG-N 3.28Å; G119-R213 PolarHBondContact N-O 2.86Å; I211-R213 HydrophobicContact CG2-CG 3.89Å; R213-D244 IonicContact CZ-OD2 3.73Å; R213-D244 VanDerWaalsContact CZ-OD2 3.26Å; R213-D244 IonicContact NE-OD1 3.37Å; R213-D244 IonicContact NE-OD2 3.11Å; R213-D244 PolarHBondContact NE-OD2 2.83Å; R213-D244 IonicContact NH2-OD2 2.75Å; R213-D244 PolarHBondContact NH2-OD2 2.95Å; R213-S246 VanDerWaalsContact CA-O 3.29Å; R213-S246 WeakPolarHBondContact CA-O 3.46Å; R213-S246 WeakPolarHBondContact CB-O 3.41Å
214A90.1Very high85Confident13 Ų1356.5 Ų56.511%0.10732%0.32CS..PPolyproline II helixtrans-67.8158177.700000112.6S246 G247 W248A214-S246 PolarHBondContact N-O 3.34Å; A214-S246 VanDerWaalsContact N-O 3.08Å; A214-G247 VanDerWaalsContact CB-C 3.48Å; A214-G247 VanDerWaalsContact CB-O 3.29Å; A214-G247 WeakPolarHBondContact CB-O 3.4Å; A214-W248 HydrophobicContact CB-CB 4.37Å; A214-W248 HydrophobicContact CB-CD2 4.12Å; A214-W248 HydrophobicContact CB-CG 3.88Å
215D82.5Confident84.4Confident32 Ų3257.7 Ų57.717%0.17133%0.328CS..PPolyproline II helixtrans-71.4123.6172-81.1-53.4000110.6G119 G217 G218G119-D215 WeakPolarHBondContact CA-OD1 3.26Å; D215-G217 PolarHBondContact O-N 2.98Å; D215-G218 PolarHBondContact O-N 3.48Å; D215-G218 VanDerWaalsContact O-N 3.09Å
216I66.5Low84.2Confident184 Ų18454.4 Ų54.494%0.94431%0.308SS*.THydrogen-bonded Turntrans-64.2105.1171.9-58.2175.4000108.5
217G66.5Low83.9Confident65 Ų6552.2 Ų52.267%0.6730%0.303SS*.THydrogen-bonded Turntrans838.3-178.500000115.1D215D215-G217 PolarHBondContact O-N 2.98Å
218G67.6Low83.5Confident18 Ų1857.2 Ų57.219%0.18632%0.324CS..  trans-74.3160.8176.900000113.8D215 E220D215-G218 PolarHBondContact O-N 3.48Å; D215-G218 VanDerWaalsContact O-N 3.09Å; G218-E220 PolarHBondContact O-N 2.71Å; G218-E220 VanDerWaalsContact O-N 3.15Å
219N69.4Low83Confident156 Ų15653.4 Ų53.483%0.83431%0.306SS*.  trans-76.994.6168-75-28.7000108.8
220E73.9Confident82.8Confident35 Ų3552.6 Ų52.616%0.16430%0.3CS..PPolyproline II helixtrans-62.1145169.8-75.1-177.9-156.700110.9G218 W248 R249 H250G218-E220 PolarHBondContact O-N 2.71Å; G218-E220 VanDerWaalsContact O-N 3.15Å; E220-W248 HydrophobicContact CG-CE3 4.39Å; E220-R249 VanDerWaalsContact CD-N 3.33Å; E220-R249 WeakPolarHBondContact OE1-CG 3.39Å; E220-R249 PolarHBondContact OE1-N 3.1Å; E220-R249 WeakPolarHBondContact OE2-CB 3.48Å; E220-R249 PolarHBondContact OE2-N 2.94Å; E220-H250 PolarHBondContact OE2-N 2.88Å
221P76.3Confident82.5Confident9 Ų956.2 Ų56.26%0.05832%0.322CS..PPolyproline II helixtrans-59.115017122.1-29.4000111.3F129 V226 L229 W248F129-P221 HydrophobicContact CE2-CB 3.63Å; F129-P221 HydrophobicContact CZ-CB 4.21Å; P221-V226 HydrophobicContact CB-CG2 4.39Å; P221-V226 HydrophobicContact CG-CG2 3.96Å; P221-L229 HydrophobicContact CG-CD2 4.36Å; P221-W248 HydrophobicContact CG-CH2 4.49Å; P221-W248 HydrophobicContact CG-CZ3 4.01Å
222A78.3Confident82.2Confident59 Ų5958.7 Ų58.749%0.48833%0.333SS..PPolyproline II helixtrans-57.1145.7175.700000111.3F129 E224 S225 V226F129-A222 HydrophobicContact CZ-CB 4.26Å; A222-E224 PolarHBondContact O-N 3.35Å; A222-E224 VanDerWaalsContact O-N 3.1Å; A222-S225 PolarHBondContact O-N 2.9Å; A222-V226 PolarHBondContact O-N 2.82Å
223V77.2Confident82Confident71 Ų7158.7 Ų58.743%0.4333%0.333SS..Hα-helixtrans-47.8-43.8-175-175.20000112.9S225 V226 H250V223-S225 PolarHBondContact O-N 2.91Å; V223-V226 PolarHBondContact O-N 2.82Å; V223-H250 HydrophobicContact CG1-CB 4.48Å; V223-H250 HydrophobicContact CG2-CB 3.71Å
224E76.6Confident82Confident186 Ų18653.9 Ų53.987%0.86932%0.315SS*.Hα-helixtrans-62-29.2-179.5-63.2177.4178.900113.2A222A222-E224 PolarHBondContact O-N 3.35Å; A222-E224 VanDerWaalsContact O-N 3.1Å
225S81.8Confident82.1Confident25 Ų2556.1 Ų56.118%0.17534%0.34CS..Hα-helixtrans-93.2-20.7-177.9-580000113.3L128 F129 A222 V223 G227 K228 L229L128-S225 WeakPolarHBondContact CD1-O 3.23Å; F129-S225 WeakPolarHBondContact CE1-OG 3.45Å; F129-S225 WeakPolarHBondContact CZ-OG 3.48Å; A222-S225 PolarHBondContact O-N 2.9Å; V223-S225 PolarHBondContact O-N 2.91Å; S225-G227 VanDerWaalsContact C-N 3.29Å; S225-G227 PolarHBondContact O-N 3.32Å; S225-K228 PolarHBondContact O-N 3.04Å; S225-L229 WeakPolarHBondContact O-CB 3.29Å; S225-L229 PolarHBondContact O-N 3.38Å
226V87Confident82.6Confident0 Ų056.5 Ų56.50%034%0.344CS..Hα-helixtrans-58-44.7175.1175.60000110.3P221 A222 V223 K228 L229 F230 L251P221-V226 HydrophobicContact CB-CG2 4.39Å; P221-V226 HydrophobicContact CG-CG2 3.96Å; A222-V226 PolarHBondContact O-N 2.82Å; V223-V226 PolarHBondContact O-N 2.82Å; V226-K228 PolarHBondContact O-N 2.9Å; V226-L229 WeakPolarHBondContact O-CB 3.38Å; V226-L229 PolarHBondContact O-N 3.42Å; V226-F230 HydrophobicContact CG1-CD2 3.53Å; V226-F230 HydrophobicContact CG1-CE2 3.56Å; V226-F230 WeakPolarHBondContact O-CD2 3.45Å; V226-F230 PolarHBondContact O-N 2.83Å; V226-L251 HydrophobicContact CG1-CD2 4.28Å
227G89.2Confident83.9Confident26 Ų2647.8 Ų47.827%0.26830%0.299SS..Hα-helixtrans-57.9-48.1177.400000112.5S225 L229 F230 T231S225-G227 VanDerWaalsContact C-N 3.29Å; S225-G227 PolarHBondContact O-N 3.32Å; G227-L229 VanDerWaalsContact C-N 3.32Å; G227-L229 PolarHBondContact O-N 3.29Å; G227-F230 PolarHBondContact O-N 2.6Å; G227-T231 PolarHBondContact O-N 3.08Å; G227-T231 PolarHBondContact O-OG1 2.9Å
228K87.6Confident85.1Confident105 Ų10547.4 Ų47.446%0.45729%0.287SS..Hα-helixtrans-63.3-39.3176.9-175.3173.3176.1-178.30111.9L128 S225 V226 T231 E232L128-K228 HydrophobicContact CD1-CB 4.41Å; L128-K228 HydrophobicContact CD2-CD 3.85Å; L128-K228 HydrophobicContact CD2-CG 3.94Å; S225-K228 PolarHBondContact O-N 3.04Å; V226-K228 PolarHBondContact O-N 2.9Å; K228-T231 PolarHBondContact O-N 2.91Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 3.29Å; K228-E232 VanDerWaalsContact O-N 3.13Å
229L89.1Confident86.5Confident0 Ų049.5 Ų49.50%029%0.293CS..Hα-helixtrans-57.9-52.8177.6177.662.6000111.4F124 L128 M199 F212 P221 S225 V226 G227 E232 L233 W248F124-L229 HydrophobicContact CB-CD1 3.74Å; F124-L229 HydrophobicContact CB-CD2 4.07Å; F124-L229 HydrophobicContact CD1-CD1 4.12Å; F124-L229 HydrophobicContact CG-CD1 4.44Å; L128-L229 HydrophobicContact CD1-CB 3.56Å; L128-L229 HydrophobicContact CD1-CD1 4.13Å; L128-L229 HydrophobicContact CD1-CG 4.44Å; M199-L229 HydrophobicContact CE-CD1 3.48Å; M199-L229 VanDerWaalsContact CE-CD1 3.48Å; M199-L229 HydrophobicContact SD-CD1 4.05Å; F212-L229 HydrophobicContact CE1-CD2 4.42Å; P221-L229 HydrophobicContact CG-CD2 4.36Å; S225-L229 WeakPolarHBondContact O-CB 3.29Å; S225-L229 PolarHBondContact O-N 3.38Å; V226-L229 WeakPolarHBondContact O-CB 3.38Å; V226-L229 PolarHBondContact O-N 3.42Å; G227-L229 VanDerWaalsContact C-N 3.32Å; G227-L229 PolarHBondContact O-N 3.29Å; L229-E232 PolarHBondContact O-N 3.23Å; L229-L233 VanDerWaalsContact O-CB 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 PolarHBondContact O-N 3.37Å; L229-W248 HydrophobicContact CD2-CH2 4.22Å
230F92.8Very high87.8Confident0 Ų042 Ų420%025%0.253CS..Hα-helixtrans-71.2-33.2-176.9-79.3-71.2000112.7F212 V226 G227 E232 L233 L234 L245 W248 L251 Y256F212-F230 AromaticContact CD1-CE1 3.72Å; F212-F230 HydrophobicContact CD1-CE1 3.72Å; F212-F230 HydrophobicContact CD1-CZ 4.06Å; F212-F230 HydrophobicContact CE1-CE1 4.17Å; F212-F230 HydrophobicContact CE1-CZ 4.28Å; V226-F230 HydrophobicContact CG1-CD2 3.53Å; V226-F230 HydrophobicContact CG1-CE2 3.56Å; V226-F230 WeakPolarHBondContact O-CD2 3.45Å; V226-F230 PolarHBondContact O-N 2.83Å; G227-F230 PolarHBondContact O-N 2.6Å; F230-E232 VanDerWaalsContact C-N 3.34Å; F230-E232 PolarHBondContact O-N 3.37Å; F230-L233 HydrophobicContact CD1-CD2 3.9Å; F230-L233 HydrophobicContact CE1-CD2 3.99Å; F230-L233 PolarHBondContact O-N 2.81Å; F230-L234 HydrophobicContact CB-CD1 4.23Å; F230-L234 HydrophobicContact CD1-CD1 4Å; F230-L234 HydrophobicContact CD1-CG 4.36Å; F230-L234 VanDerWaalsContact O-CB 3.26Å; F230-L234 WeakPolarHBondContact O-CB 3.29Å; F230-L234 WeakPolarHBondContact O-CG 3.17Å; F230-L234 PolarHBondContact O-N 2.69Å; F230-L245 HydrophobicContact CD1-CD2 4.38Å; F230-L245 HydrophobicContact CE1-CD1 4.05Å; F230-L245 HydrophobicContact CE1-CD2 3.4Å; F230-L245 HydrophobicContact CE1-CG 4.37Å; F230-L245 HydrophobicContact CZ-CD1 4.22Å; F230-L245 HydrophobicContact CZ-CD2 3.78Å; F230-W248 HydrophobicContact CE2-CD2 4.48Å; F230-W248 HydrophobicContact CE2-CE3 4.46Å; F230-W248 HydrophobicContact CE2-CH2 4.22Å; F230-W248 HydrophobicContact CE2-CZ2 4.25Å; F230-W248 HydrophobicContact CE2-CZ3 4.32Å; F230-W248 HydrophobicContact CZ-CD2 4.33Å; F230-W248 AromaticContact CZ-CE2 3.83Å; F230-W248 HydrophobicContact CZ-CH2 4.12Å; F230-W248 AromaticContact CZ-CZ2 3.72Å; F230-W248 HydrophobicContact CZ-CZ2 3.72Å; F230-L251 HydrophobicContact CD2-CD2 4.43Å; F230-L251 HydrophobicContact CE2-CD2 3.59Å; F230-L251 HydrophobicContact CZ-CD2 4.02Å; F230-Y256 HydrophobicContact CB-CD1 3.56Å; F230-Y256 HydrophobicContact CB-CD2 3.41Å; F230-Y256 VanDerWaalsContact CB-CD2 3.41Å; F230-Y256 HydrophobicContact CB-CE1 3.69Å; F230-Y256 HydrophobicContact CB-CE2 3.52Å; F230-Y256 HydrophobicContact CB-CG 3.4Å; F230-Y256 HydrophobicContact CD1-CE2 4.22Å; F230-Y256 HydrophobicContact CD2-CE1 4.04Å; F230-Y256 HydrophobicContact CD2-CE2 4.08Å; F230-Y256 AromaticContact CD2-CZ 3.64Å; F230-Y256 HydrophobicContact CG-CD1 4.5Å; F230-Y256 HydrophobicContact CG-CD2 4.09Å; F230-Y256 HydrophobicContact CG-CE1 4.17Å; F230-Y256 AromaticContact CG-CE2 3.69Å; F230-Y256 HydrophobicContact CG-CE2 3.69Å; F230-Y256 HydrophobicContact CG-CG 4.44Å; F230-Y256 AromaticContact CG-CZ 3.72Å
231T92.3Very high89Confident76 Ų7647 Ų4747%0.46627%0.271SS..Hα-helixtrans-58-46.9171.9-62.10000111.6G227 K228 G235G227-T231 PolarHBondContact O-N 3.08Å; G227-T231 PolarHBondContact O-OG1 2.9Å; K228-T231 PolarHBondContact O-N 2.91Å; T231-G235 WeakPolarHBondContact O-CA 3.24Å; T231-G235 PolarHBondContact O-N 2.92Å
232E90.4Very high90.1Very high69 Ų6950 Ų5032%0.32228%0.282SS..Hα-helixtrans-71.6-33.8178.2-67.7-66.9166.700112.2M199 K228 L229 F230 P236M199-E232 HydrophobicContact CG-CB 3.98Å; M199-E232 HydrophobicContact SD-CB 3.37Å; M199-E232 WeakPolarHBondContact SD-CB 3.38Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 3.29Å; K228-E232 VanDerWaalsContact O-N 3.13Å; L229-E232 PolarHBondContact O-N 3.23Å; F230-E232 VanDerWaalsContact C-N 3.34Å; F230-E232 PolarHBondContact O-N 3.37Å; E232-P236 WeakPolarHBondContact O-CD 3.16Å
233L92.5Very high91Very high0 Ų047.2 Ų47.20%026%0.258CS..Hα-helixtrans-70.1-48.7-179.6-178.267.7000111.5L117 F124 M199 T201 M210 F212 L229 F230L117-L233 HydrophobicContact CD1-CD1 4.15Å; F124-L233 HydrophobicContact CD1-CD1 4.21Å; F124-L233 HydrophobicContact CE1-CD1 3.62Å; M199-L233 HydrophobicContact CE-CB 3.76Å; M199-L233 HydrophobicContact CE-CD1 3.57Å; M199-L233 HydrophobicContact CE-CG 4.24Å; M199-L233 VanDerWaalsContact SD-CA 3.51Å; M199-L233 HydrophobicContact SD-CB 3.82Å; M199-L233 HydrophobicContact SD-CD1 4.45Å; M199-L233 PolarHBondContact SD-N 3.19Å; T201-L233 WeakPolarHBondContact CB-O 3.29Å; T201-L233 HydrophobicContact CG2-CD1 3.5Å; T201-L233 VanDerWaalsContact CG2-CD1 3.5Å; T201-L233 HydrophobicContact CG2-CG 4.24Å; T201-L233 WeakPolarHBondContact CG2-O 3.47Å; T201-L233 PolarHBondContact OG1-O 2.92Å; M210-L233 HydrophobicContact CE-CD1 4.46Å; M210-L233 HydrophobicContact CE-CG 4.23Å; M210-L233 HydrophobicContact SD-CD1 4.41Å; M210-L233 HydrophobicContact SD-CD2 3.82Å; M210-L233 HydrophobicContact SD-CG 4.03Å; F212-L233 HydrophobicContact CD1-CD2 3.45Å; F212-L233 VanDerWaalsContact CD1-CD2 3.45Å; F212-L233 HydrophobicContact CE1-CD2 3.7Å; L229-L233 VanDerWaalsContact O-CB 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 PolarHBondContact O-N 3.37Å; F230-L233 HydrophobicContact CD1-CD2 3.9Å; F230-L233 HydrophobicContact CE1-CD2 3.99Å; F230-L233 PolarHBondContact O-N 2.81Å
234L94.8Very high92Very high3 Ų344 Ų442%0.01624%0.239CC..Hα-helixtrans-92.8-19.5-171-58.7173.1000112.2M210 F230 P236 T237 L240 L243 Y256 L260M210-L234 HydrophobicContact CE-CD2 3.99Å; M210-L234 HydrophobicContact SD-CD2 3.96Å; F230-L234 HydrophobicContact CB-CD1 4.23Å; F230-L234 HydrophobicContact CD1-CD1 4Å; F230-L234 HydrophobicContact CD1-CG 4.36Å; F230-L234 VanDerWaalsContact O-CB 3.26Å; F230-L234 WeakPolarHBondContact O-CB 3.29Å; F230-L234 WeakPolarHBondContact O-CG 3.17Å; F230-L234 PolarHBondContact O-N 2.69Å; L234-P236 VanDerWaalsContact C-N 3.34Å; L234-T237 WeakPolarHBondContact CA-OG1 3.26Å; L234-T237 PolarHBondContact O-N 2.79Å; L234-T237 PolarHBondContact O-OG1 2.99Å; L234-L240 HydrophobicContact CD2-CD2 3.99Å; L234-L243 HydrophobicContact CD1-CD2 4.03Å; L234-L243 HydrophobicContact CD2-CD1 4.14Å; L234-L243 HydrophobicContact CD2-CD2 4.42Å; L234-Y256 HydrophobicContact CD1-CD2 3.74Å; L234-Y256 HydrophobicContact CD1-CE2 4.32Å; L234-L260 HydrophobicContact CD1-CD1 4.28Å
235G93Very high93Very high60 Ų6035.1 Ų35.162%0.61920%0.197SC*.THydrogen-bonded Turntrans-49.8-44.2179.700000114.5T231 T237T231-G235 WeakPolarHBondContact O-CA 3.24Å; T231-G235 PolarHBondContact O-N 2.92Å; G235-T237 VanDerWaalsContact C-N 3.27Å; G235-T237 PolarHBondContact O-N 3.08Å
236P92.3Very high93.7Very high40 Ų4034.4 Ų34.426%0.2619%0.192SC..THydrogen-bonded Turntrans-74.1-7.6176.5-2033.8000115.7A202 E232 L234 S238A202-P236 HydrophobicContact CB-CG 4.07Å; E232-P236 WeakPolarHBondContact O-CD 3.16Å; L234-P236 VanDerWaalsContact C-N 3.34Å; P236-S238 PolarHBondContact O-N 2.89Å
237T93.9Very high94Very high0 Ų036 Ų360%021%0.209CC..  trans-104.153.5-165.166.20000113.3T201 L207 M210 L234 G235 N239 L240T201-T237 HydrophobicContact CG2-CG2 4.43Å; L207-T237 HydrophobicContact CB-CG2 4.25Å; L207-T237 HydrophobicContact CD2-CG2 3.94Å; M210-T237 HydrophobicContact CE-CG2 4.13Å; L234-T237 WeakPolarHBondContact CA-OG1 3.26Å; L234-T237 PolarHBondContact O-N 2.79Å; L234-T237 PolarHBondContact O-OG1 2.99Å; G235-T237 VanDerWaalsContact C-N 3.27Å; G235-T237 PolarHBondContact O-N 3.08Å; T237-N239 PolarHBondContact O-N 3.42Å; T237-N239 VanDerWaalsContact O-N 3.11Å; T237-L240 VanDerWaalsContact O-CB 3.29Å; T237-L240 WeakPolarHBondContact O-CB 3.42Å; T237-L240 PolarHBondContact O-N 3.15Å; T237-L240 VanDerWaalsContact O-N 3.11Å
238S91.5Very high94.1Very high58 Ų5834.8 Ų34.841%0.40620%0.196SC..THydrogen-bonded Turntrans-62.4-21.5-176.2580000114.9P236 N262P236-S238 PolarHBondContact O-N 2.89Å; S238-N262 PolarHBondContact O-ND2 2.87Å
239N95.7Very high94.2Very high61 Ų6135.3 Ų35.333%0.32620%0.195SC..THydrogen-bonded Turntrans-91.85.4179.4-68.2-53.4000113.9T205 L207 T237 R241T205-N239 PolarHBondContact O-ND2 2.8Å; L207-N239 CarbonylContact O-C 3.54Å; L207-N239 VanDerWaalsContact O-C 3.27Å; T237-N239 PolarHBondContact O-N 3.42Å; T237-N239 VanDerWaalsContact O-N 3.11Å; N239-R241 PolarHBondContact O-N 3.21Å
240L98.2Very high94.1Very high0 Ų038.4 Ų38.40%021%0.21CC..  trans-64.6127.6-175.7-16074.4000111L207 M210 L234 T237 L243 L260 N262 L263L207-L240 HydrophobicContact CD2-CD1 4.05Å; L207-L240 HydrophobicContact CG-CD1 4.07Å; L207-L240 PolarHBondContact O-N 2.75Å; M210-L240 HydrophobicContact CB-CD1 3.9Å; M210-L240 HydrophobicContact CB-CD2 4.46Å; L234-L240 HydrophobicContact CD2-CD2 3.99Å; T237-L240 VanDerWaalsContact O-CB 3.29Å; T237-L240 WeakPolarHBondContact O-CB 3.42Å; T237-L240 PolarHBondContact O-N 3.15Å; T237-L240 VanDerWaalsContact O-N 3.11Å; L240-L243 HydrophobicContact CD2-CB 4.05Å; L240-L243 HydrophobicContact CD2-CD1 4.12Å; L240-L243 HydrophobicContact CD2-CD2 4.42Å; L240-L243 HydrophobicContact CD2-CG 4.42Å; L240-L260 HydrophobicContact CD2-CD1 4.14Å; L240-N262 CarbonylContact O-C 3.42Å; L240-L263 WeakPolarHBondContact O-CA 3.37Å; L240-L263 PolarHBondContact O-N 2.95Å
241R98.5Very high94.1Very high140 Ų14038.7 Ų38.753%0.52821%0.211SC..  trans-114.1-27.6-178.8-64-174.9176-150-4.3113.3Q208 N239 N262 T264 T265Q208-R241 WeakPolarHBondContact O-CA 3.42Å; Q208-R241 PolarHBondContact O-N 2.97Å; N239-R241 PolarHBondContact O-N 3.21Å; R241-N262 WeakPolarHBondContact CA-O 3.29Å; R241-T264 PolarHBondContact O-N 2.98Å; R241-T264 PolarHBondContact O-OG1 2.7Å; R241-T265 PolarHBondContact O-N 3.08Å
242Y98.7Very high94Very high72 Ų7236 Ų3628%0.28220%0.198SC..EExtended strand (participates in β ladder)trans-128.1126.1-179.9-178.9-77.2000109.5Q208 A209 M210 I211 D244 T265 V267Q208-Y242 PolarHBondContact O-N 2.93Å; A209-Y242 WeakPolarHBondContact CA-O 3.4Å; A209-Y242 HydrophobicContact CB-CD1 4.33Å; A209-Y242 HydrophobicContact CB-CG 4.44Å; M210-Y242 PolarHBondContact N-O 2.76Å; I211-Y242 HydrophobicContact CG1-CE1 4.07Å; Y242-D244 HydrophobicContact CE1-CB 3.61Å; Y242-T265 WeakPolarHBondContact CA-O 3.41Å; Y242-T265 HydrophobicContact CD2-CG2 3.44Å; Y242-T265 VanDerWaalsContact CD2-CG2 3.44Å; Y242-T265 HydrophobicContact CE2-CG2 3.53Å; Y242-T265 HydrophobicContact CG-CG2 4.42Å; Y242-V267 HydrophobicContact CE2-CG2 4.33Å
243L98.7Very high94.1Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-134.2121.2175.8-179.358.7000109.7M210 L234 L240 L245 I257 L260 L263 T265 L266 V267M210-L243 HydrophobicContact CB-CD1 4.17Å; M210-L243 WeakPolarHBondContact O-CA 3.2Å; L234-L243 HydrophobicContact CD1-CD2 4.03Å; L234-L243 HydrophobicContact CD2-CD1 4.14Å; L234-L243 HydrophobicContact CD2-CD2 4.42Å; L240-L243 HydrophobicContact CD2-CB 4.05Å; L240-L243 HydrophobicContact CD2-CD1 4.12Å; L240-L243 HydrophobicContact CD2-CD2 4.42Å; L240-L243 HydrophobicContact CD2-CG 4.42Å; L243-L245 HydrophobicContact CD1-CD2 3.76Å; L243-L245 HydrophobicContact CD1-CG 4.09Å; L243-L245 HydrophobicContact CD2-CD1 4.11Å; L243-L245 HydrophobicContact CD2-CG 4.28Å; L243-L245 HydrophobicContact CG-CD1 4.32Å; L243-L245 HydrophobicContact CG-CD2 4.2Å; L243-L245 HydrophobicContact CG-CG 3.94Å; L243-I257 HydrophobicContact CD2-CG2 4.18Å; L243-L260 HydrophobicContact CD2-CD1 4.23Å; L243-L263 HydrophobicContact CB-CD1 3.66Å; L243-T265 PolarHBondContact N-O 3.36Å; L243-L266 HydrophobicContact CB-CD1 4.22Å; L243-L266 HydrophobicContact CD2-CD1 4.18Å; L243-L266 HydrophobicContact CG-CD1 4.21Å; L243-L266 WeakPolarHBondContact O-CA 3.47Å; L243-V267 PolarHBondContact O-N 3.47Å
244D98.5Very high94.3Very high3 Ų339.4 Ų39.42%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-115.6114.4174.5176.2-10000109.5M210 I211 F212 R213 Y242 S246 V267M210-D244 PolarHBondContact O-N 3.23Å; I211-D244 HydrophobicContact CB-CB 4.46Å; I211-D244 HydrophobicContact CG1-CB 4.32Å; I211-D244 HydrophobicContact CG2-CB 4.13Å; F212-D244 CarbonylContact C-O 3.4Å; F212-D244 PolarHBondContact N-O 2.93Å; R213-D244 IonicContact CZ-OD2 3.73Å; R213-D244 VanDerWaalsContact CZ-OD2 3.26Å; R213-D244 IonicContact NE-OD1 3.37Å; R213-D244 IonicContact NE-OD2 3.11Å; R213-D244 PolarHBondContact NE-OD2 2.83Å; R213-D244 IonicContact NH2-OD2 2.75Å; R213-D244 PolarHBondContact NH2-OD2 2.95Å; Y242-D244 HydrophobicContact CE1-CB 3.61Å; D244-S246 VanDerWaalsContact OD1-CB 3.24Å; D244-S246 WeakPolarHBondContact OD1-CB 3.44Å; D244-S246 PolarHBondContact OD1-N 2.85Å; D244-S246 PolarHBondContact OD1-OG 3.31Å; D244-V267 HydrophobicContact CB-CB 4.03Å
245L97.2Very high94.4Very high0 Ų044.2 Ų44.20%023%0.231CC..  trans-117.836.5176.9-55.1179.8000110.5F212 F230 L243 L251 M254 Y256 V267 L268 V271F212-L245 HydrophobicContact CB-CD2 4.16Å; F230-L245 HydrophobicContact CD1-CD2 4.38Å; F230-L245 HydrophobicContact CE1-CD1 4.05Å; F230-L245 HydrophobicContact CE1-CD2 3.4Å; F230-L245 HydrophobicContact CE1-CG 4.37Å; F230-L245 HydrophobicContact CZ-CD1 4.22Å; F230-L245 HydrophobicContact CZ-CD2 3.78Å; L243-L245 HydrophobicContact CD1-CD2 3.76Å; L243-L245 HydrophobicContact CD1-CG 4.09Å; L243-L245 HydrophobicContact CD2-CD1 4.11Å; L243-L245 HydrophobicContact CD2-CG 4.28Å; L243-L245 HydrophobicContact CG-CD1 4.32Å; L243-L245 HydrophobicContact CG-CD2 4.2Å; L243-L245 HydrophobicContact CG-CG 3.94Å; L245-L251 HydrophobicContact CB-CD1 3.93Å; L245-L251 HydrophobicContact CD1-CD1 3.92Å; L245-L251 HydrophobicContact CD1-CD2 4.4Å; L245-M254 HydrophobicContact CD1-CE 3.95Å; L245-Y256 HydrophobicContact CD1-CE2 4.42Å; L245-V267 PolarHBondContact N-O 2.86Å; L245-L268 HydrophobicContact CB-CD2 3.91Å; L245-L268 HydrophobicContact CD1-CD2 4.41Å; L245-V271 WeakPolarHBondContact O-CG2 3.36Å
246S95.7Very high94.5Very high10 Ų1042.1 Ų42.17%0.0720%0.204CC..THydrogen-bonded Turntrans-62147.3-177.4-54.80000112.6R213 A214 D244 W248 V267 N269R213-S246 VanDerWaalsContact CA-O 3.29Å; R213-S246 WeakPolarHBondContact CA-O 3.46Å; R213-S246 WeakPolarHBondContact CB-O 3.41Å; A214-S246 PolarHBondContact N-O 3.34Å; A214-S246 VanDerWaalsContact N-O 3.08Å; D244-S246 VanDerWaalsContact OD1-CB 3.24Å; D244-S246 WeakPolarHBondContact OD1-CB 3.44Å; D244-S246 PolarHBondContact OD1-N 2.85Å; D244-S246 PolarHBondContact OD1-OG 3.31Å; S246-W248 VanDerWaalsContact C-N 3.31Å; S246-W248 PolarHBondContact O-N 3.19Å; S246-V267 WeakPolarHBondContact OG-CG1 3.24Å; S246-N269 CarbonylContact C-O 3.25Å; S246-N269 WeakPolarHBondContact CA-O 3.15Å; S246-N269 VanDerWaalsContact CB-O 3.29Å; S246-N269 WeakPolarHBondContact CB-O 3.44Å
247G92.7Very high94.7Very high34 Ų3440.2 Ų40.235%0.35119%0.192SC..THydrogen-bonded Turntrans78.80.7170.900000116.2A214 N269A214-G247 VanDerWaalsContact CB-C 3.48Å; A214-G247 VanDerWaalsContact CB-O 3.29Å; A214-G247 WeakPolarHBondContact CB-O 3.4Å; G247-N269 PolarHBondContact N-O 3.13Å
248W92.4Very high94.8Very high0 Ų044.3 Ų44.30%021%0.211CC..  trans-70.4130.3175.4-75.678.3000111.3A121 F212 A214 E220 P221 L229 F230 S246 L251 V271 Q272A121-W248 HydrophobicContact CB-CH2 3.72Å; A121-W248 HydrophobicContact CB-CZ2 4.06Å; A121-W248 HydrophobicContact CB-CZ3 4.43Å; F212-W248 HydrophobicContact CD1-CZ2 4.02Å; F212-W248 HydrophobicContact CD2-CZ2 4.32Å; F212-W248 HydrophobicContact CE1-CH2 4.21Å; F212-W248 AromaticContact CE1-CZ2 3.72Å; F212-W248 HydrophobicContact CE1-CZ2 3.72Å; F212-W248 HydrophobicContact CE2-CZ2 4.06Å; F212-W248 HydrophobicContact CG-CZ2 4.32Å; F212-W248 HydrophobicContact CZ-CH2 4.16Å; F212-W248 AromaticContact CZ-CZ2 3.76Å; F212-W248 HydrophobicContact CZ-CZ2 3.76Å; F212-W248 PolarHBondContact O-NE1 3.11Å; A214-W248 HydrophobicContact CB-CB 4.37Å; A214-W248 HydrophobicContact CB-CD2 4.12Å; A214-W248 HydrophobicContact CB-CG 3.88Å; E220-W248 HydrophobicContact CG-CE3 4.39Å; P221-W248 HydrophobicContact CG-CH2 4.49Å; P221-W248 HydrophobicContact CG-CZ3 4.01Å; L229-W248 HydrophobicContact CD2-CH2 4.22Å; F230-W248 HydrophobicContact CE2-CD2 4.48Å; F230-W248 HydrophobicContact CE2-CE3 4.46Å; F230-W248 HydrophobicContact CE2-CH2 4.22Å; F230-W248 HydrophobicContact CE2-CZ2 4.25Å; F230-W248 HydrophobicContact CE2-CZ3 4.32Å; F230-W248 HydrophobicContact CZ-CD2 4.33Å; F230-W248 AromaticContact CZ-CE2 3.83Å; F230-W248 HydrophobicContact CZ-CH2 4.12Å; F230-W248 AromaticContact CZ-CZ2 3.72Å; F230-W248 HydrophobicContact CZ-CZ2 3.72Å; S246-W248 VanDerWaalsContact C-N 3.31Å; S246-W248 PolarHBondContact O-N 3.19Å; W248-L251 HydrophobicContact CB-CD1 4.41Å; W248-L251 HydrophobicContact CB-CD2 3.61Å; W248-L251 HydrophobicContact CB-CG 3.83Å; W248-L251 HydrophobicContact CD2-CD2 3.88Å; W248-L251 HydrophobicContact CE3-CD2 4.18Å; W248-L251 HydrophobicContact CG-CD2 3.64Å; W248-L251 HydrophobicContact CG-CG 4.37Å; W248-V271 HydrophobicContact CB-CG2 4.47Å; W248-V271 VanDerWaalsContact O-CA 3.31Å; W248-V271 WeakPolarHBondContact O-CA 3.39Å; W248-Q272 PolarHBondContact O-N 3.46Å
249R89.1Confident95.1Very high116 Ų11646 Ų4644%0.43822%0.221SC..SBendtrans-71.2-35.5177.1-62.6171.7-178.9168.82.7112E220 Q272E220-R249 VanDerWaalsContact CD-N 3.33Å; E220-R249 WeakPolarHBondContact OE1-CG 3.39Å; E220-R249 PolarHBondContact OE1-N 3.1Å; E220-R249 WeakPolarHBondContact OE2-CB 3.48Å; E220-R249 PolarHBondContact OE2-N 2.94Å; R249-Q272 WeakPolarHBondContact O-CB 3.33Å
250H87.2Confident95.1Very high65 Ų6543.2 Ų43.230%0.30121%0.206SC..  trans-141.1117-179.2-54.2-64.2000111.8E220 V223 H273E220-H250 PolarHBondContact OE2-N 2.88Å; V223-H250 HydrophobicContact CG1-CB 4.48Å; V223-H250 HydrophobicContact CG2-CB 3.71Å; H250-H273 AromaticContact CE1-CD2 3.57Å; H250-H273 AromaticContact CE1-NE2 3.74Å; H250-H273 AromaticContact ND1-CD2 3.48Å; H250-H273 PolarHBondContact ND1-CD2 3.44Å
251L92.2Very high95Very high6 Ų648.8 Ų48.83%0.03123%0.232CC..  trans-106.5-8.6171.6-69.3-174.8000113.6V226 F230 L245 W248 M254 Y256 L268 V271V226-L251 HydrophobicContact CG1-CD2 4.28Å; F230-L251 HydrophobicContact CD2-CD2 4.43Å; F230-L251 HydrophobicContact CE2-CD2 3.59Å; F230-L251 HydrophobicContact CZ-CD2 4.02Å; L245-L251 HydrophobicContact CB-CD1 3.93Å; L245-L251 HydrophobicContact CD1-CD1 3.92Å; L245-L251 HydrophobicContact CD1-CD2 4.4Å; W248-L251 HydrophobicContact CB-CD1 4.41Å; W248-L251 HydrophobicContact CB-CD2 3.61Å; W248-L251 HydrophobicContact CB-CG 3.83Å; W248-L251 HydrophobicContact CD2-CD2 3.88Å; W248-L251 HydrophobicContact CE3-CD2 4.18Å; W248-L251 HydrophobicContact CG-CD2 3.64Å; W248-L251 HydrophobicContact CG-CG 4.37Å; L251-M254 HydrophobicContact CB-CG 3.76Å; L251-M254 HydrophobicContact CB-SD 3.89Å; L251-M254 HydrophobicContact CD1-CE 3.9Å; L251-M254 HydrophobicContact CD1-SD 3.78Å; L251-Y256 WeakPolarHBondContact CB-OH 3.14Å; L251-Y256 PolarHBondContact O-OH 3.03Å; L251-Y256 VanDerWaalsContact O-OH 3.04Å; L251-L268 HydrophobicContact CD1-CD2 3.8Å; L251-V271 HydrophobicContact CB-CG1 4.46Å; L251-V271 HydrophobicContact CD1-CG1 3.72Å; L251-V271 HydrophobicContact CD1-CG2 4.07Å; L251-V271 HydrophobicContact CG-CG1 3.94Å
252G90.1Very high95Very high18 Ų1844.4 Ų44.419%0.18622%0.219CC..THydrogen-bonded Turntrans65.6-149.5-176.800000112.3M254G252-M254 PolarHBondContact O-N 3.02Å
253Y94Very high95Very high139 Ų13941 Ų4155%0.54521%0.206SC..THydrogen-bonded Turntrans-72.8-6.1-179.8-62.4-80.6000114.6H255 L276 A280Y253-H255 WeakPolarHBondContact CB-NE2 2.94Å; Y253-H255 PolarHBondContact O-N 3.23Å; Y253-L276 WeakPolarHBondContact CA-O 3.34Å; Y253-L276 HydrophobicContact CD1-CB 4.19Å; Y253-L276 WeakPolarHBondContact CD1-O 3.35Å; Y253-L276 HydrophobicContact CE1-CB 4.31Å; Y253-L276 HydrophobicContact CE1-CD2 4.08Å; Y253-A280 WeakPolarHBondContact O-CB 3.45Å
254M95.9Very high95Very high2 Ų242.9 Ų42.91%0.0122%0.217CC..  trans56.119.4177.5-61.3-169.665.300117L245 L251 G252 Y256 I257 L268 A277 A280L245-M254 HydrophobicContact CD1-CE 3.95Å; L251-M254 HydrophobicContact CB-CG 3.76Å; L251-M254 HydrophobicContact CB-SD 3.89Å; L251-M254 HydrophobicContact CD1-CE 3.9Å; L251-M254 HydrophobicContact CD1-SD 3.78Å; G252-M254 PolarHBondContact O-N 3.02Å; M254-Y256 HydrophobicContact CB-CE2 4.3Å; M254-Y256 HydrophobicContact CE-CE2 4.19Å; M254-Y256 HydrophobicContact CG-CE2 4.39Å; M254-Y256 WeakPolarHBondContact CG-OH 3.39Å; M254-Y256 PolarHBondContact O-N 2.88Å; M254-I257 HydrophobicContact CE-CD1 4.24Å; M254-I257 HydrophobicContact CE-CG2 3.97Å; M254-I257 WeakPolarHBondContact O-CG1 3.47Å; M254-I257 PolarHBondContact O-N 3Å; M254-L268 HydrophobicContact CE-CD1 4.26Å; M254-L268 HydrophobicContact CE-CD2 3.92Å; M254-L268 HydrophobicContact SD-CD1 4.16Å; M254-L268 HydrophobicContact SD-CD2 4.42Å; M254-A277 HydrophobicContact CB-CB 4.01Å; M254-A277 HydrophobicContact CG-CB 3.61Å; M254-A277 HydrophobicContact SD-CB 3.46Å; M254-A277 WeakPolarHBondContact SD-CB 3.49Å; M254-A280 HydrophobicContact CB-CB 4.18Å
255H95.8Very high95Very high104 Ų10444 Ų4448%0.48122%0.224SC..G310 helixtrans-53.1-18.8179.7-64.6-56.8000115.3Y253 I257 E258Y253-H255 WeakPolarHBondContact CB-NE2 2.94Å; Y253-H255 PolarHBondContact O-N 3.23Å; H255-I257 PolarHBondContact O-N 2.92Å; H255-E258 IonicContact CE1-OE1 2.63Å; H255-E258 IonicContact CG-OE1 3.56Å; H255-E258 IonicContact ND1-OE1 2.75Å; H255-E258 PolarHBondContact ND1-OE1 3.38Å; H255-E258 WeakPolarHBondContact O-CG 3.32Å; H255-E258 PolarHBondContact O-N 3Å
256Y95.2Very high95.1Very high16 Ų1644 Ų446%0.06322%0.224CC..G310 helixtrans-67.1-14.6174.448.4-103.8000114.7F230 L234 L245 L251 M254F230-Y256 HydrophobicContact CB-CD1 3.56Å; F230-Y256 HydrophobicContact CB-CD2 3.41Å; F230-Y256 VanDerWaalsContact CB-CD2 3.41Å; F230-Y256 HydrophobicContact CB-CE1 3.69Å; F230-Y256 HydrophobicContact CB-CE2 3.52Å; F230-Y256 HydrophobicContact CB-CG 3.4Å; F230-Y256 HydrophobicContact CD1-CE2 4.22Å; F230-Y256 HydrophobicContact CD2-CE1 4.04Å; F230-Y256 HydrophobicContact CD2-CE2 4.08Å; F230-Y256 AromaticContact CD2-CZ 3.64Å; F230-Y256 HydrophobicContact CG-CD1 4.5Å; F230-Y256 HydrophobicContact CG-CD2 4.09Å; F230-Y256 HydrophobicContact CG-CE1 4.17Å; F230-Y256 AromaticContact CG-CE2 3.69Å; F230-Y256 HydrophobicContact CG-CE2 3.69Å; F230-Y256 HydrophobicContact CG-CG 4.44Å; F230-Y256 AromaticContact CG-CZ 3.72Å; L234-Y256 HydrophobicContact CD1-CD2 3.74Å; L234-Y256 HydrophobicContact CD1-CE2 4.32Å; L245-Y256 HydrophobicContact CD1-CE2 4.42Å; L251-Y256 WeakPolarHBondContact CB-OH 3.14Å; L251-Y256 PolarHBondContact O-OH 3.03Å; L251-Y256 VanDerWaalsContact O-OH 3.04Å; M254-Y256 HydrophobicContact CB-CE2 4.3Å; M254-Y256 HydrophobicContact CE-CE2 4.19Å; M254-Y256 HydrophobicContact CG-CE2 4.39Å; M254-Y256 WeakPolarHBondContact CG-OH 3.39Å; M254-Y256 PolarHBondContact O-N 2.88Å
257I97.4Very high95.2Very high0 Ų044.3 Ų44.30%023%0.226CC..G310 helixtrans-87.4-20174.473.5172.7000113.1L243 M254 H255 P259 L260 L266 A280 I281 V284L243-I257 HydrophobicContact CD2-CG2 4.18Å; M254-I257 HydrophobicContact CE-CD1 4.24Å; M254-I257 HydrophobicContact CE-CG2 3.97Å; M254-I257 WeakPolarHBondContact O-CG1 3.47Å; M254-I257 PolarHBondContact O-N 3Å; H255-I257 PolarHBondContact O-N 2.92Å; I257-P259 VanDerWaalsContact C-CD 3.42Å; I257-P259 VanDerWaalsContact C-N 3.32Å; I257-L260 HydrophobicContact CB-CD1 4.26Å; I257-L260 HydrophobicContact CG2-CD1 4.46Å; I257-L260 VanDerWaalsContact O-CB 3.24Å; I257-L260 WeakPolarHBondContact O-CB 3.44Å; I257-L260 WeakPolarHBondContact O-CG 3.35Å; I257-L260 PolarHBondContact O-N 2.98Å; I257-L266 HydrophobicContact CD1-CD2 3.83Å; I257-A280 HydrophobicContact CG1-CB 4.43Å; I257-I281 HydrophobicContact CD1-CG1 4.08Å; I257-V284 HydrophobicContact CD1-CG2 4.04Å; I257-V284 HydrophobicContact CG1-CG2 3.94Å
258E97Very high95.4Very high86 Ų8642.7 Ų42.740%0.40221%0.209SC..THydrogen-bonded Turntrans-57.5-37-176.2-51.4-179.2168.900113.3H255 L260 A280 S283H255-E258 IonicContact CE1-OE1 2.63Å; H255-E258 IonicContact CG-OE1 3.56Å; H255-E258 IonicContact ND1-OE1 2.75Å; H255-E258 PolarHBondContact ND1-OE1 3.38Å; H255-E258 WeakPolarHBondContact O-CG 3.32Å; H255-E258 PolarHBondContact O-N 3Å; E258-L260 PolarHBondContact O-N 3.47Å; E258-A280 HydrophobicContact CG-CB 4.14Å; E258-S283 WeakPolarHBondContact CG-OG 3.08Å
259P96.3Very high95.6Very high93 Ų9344 Ų4460%0.60422%0.216SC*.THydrogen-bonded Turntrans-70.3-11.7176.2-20.735.2000114.7I257 H261I257-P259 VanDerWaalsContact C-CD 3.42Å; I257-P259 VanDerWaalsContact C-N 3.32Å; P259-H261 PolarHBondContact O-N 2.66Å; P259-H261 PolarHBondContact O-ND1 2.91Å
260L97.1Very high95.8Very high4 Ų440.8 Ų40.82%0.02121%0.207CC..  trans-80.964.5-175.5-54.2179.4000111.7L234 L240 L243 I257 E258 N262 L263L234-L260 HydrophobicContact CD1-CD1 4.28Å; L240-L260 HydrophobicContact CD2-CD1 4.14Å; L243-L260 HydrophobicContact CD2-CD1 4.23Å; I257-L260 HydrophobicContact CB-CD1 4.26Å; I257-L260 HydrophobicContact CG2-CD1 4.46Å; I257-L260 VanDerWaalsContact O-CB 3.24Å; I257-L260 WeakPolarHBondContact O-CB 3.44Å; I257-L260 WeakPolarHBondContact O-CG 3.35Å; I257-L260 PolarHBondContact O-N 2.98Å; E258-L260 PolarHBondContact O-N 3.47Å; L260-N262 PolarHBondContact O-N 2.82Å; L260-L263 HydrophobicContact CB-CB 3.9Å; L260-L263 HydrophobicContact CB-CD2 4.48Å; L260-L263 HydrophobicContact CD1-CD2 4.24Å; L260-L263 WeakPolarHBondContact O-CB 3.35Å; L260-L263 PolarHBondContact O-N 2.57Å
261H96.1Very high96.2Very high116 Ų11637.7 Ų37.754%0.53719%0.193SC..THydrogen-bonded Turntrans-58.4-18.2-178.160-79.4000115.1P259 S286P259-H261 PolarHBondContact O-N 2.66Å; P259-H261 PolarHBondContact O-ND1 2.91Å; H261-S286 WeakPolarHBondContact O-CB 3.49Å; H261-S286 PolarHBondContact O-OG 3.23Å
262N97.8Very high96.1Very high49 Ų4941 Ų4126%0.26221%0.208SC..THydrogen-bonded Turntrans-96.30.9176.2-65.1-52.2000113.8S238 L240 R241 L260 T264S238-N262 PolarHBondContact O-ND2 2.87Å; L240-N262 CarbonylContact O-C 3.42Å; R241-N262 WeakPolarHBondContact CA-O 3.29Å; L260-N262 PolarHBondContact O-N 2.82Å; N262-T264 PolarHBondContact O-N 2.92Å
263L98.6Very high96.1Very high0 Ų045 Ų450%022%0.222CC..  trans-70.8112.8-175.5-172.869.2000110.6L240 L243 L260 T265 L266 V284 S286 L287L240-L263 WeakPolarHBondContact O-CA 3.37Å; L240-L263 PolarHBondContact O-N 2.95Å; L243-L263 HydrophobicContact CB-CD1 3.66Å; L260-L263 HydrophobicContact CB-CB 3.9Å; L260-L263 HydrophobicContact CB-CD2 4.48Å; L260-L263 HydrophobicContact CD1-CD2 4.24Å; L260-L263 WeakPolarHBondContact O-CB 3.35Å; L260-L263 PolarHBondContact O-N 2.57Å; L263-T265 WeakPolarHBondContact CD1-O 3.21Å; L263-L266 HydrophobicContact CD2-CB 4.34Å; L263-L266 HydrophobicContact CD2-CD1 4.44Å; L263-V284 HydrophobicContact CB-CG1 4.03Å; L263-V284 HydrophobicContact CD2-CG1 4.41Å; L263-S286 CarbonylContact O-C 3.52Å; L263-S286 VanDerWaalsContact O-C 3.22Å; L263-S286 PolarHBondContact O-OG 3Å; L263-S286 VanDerWaalsContact O-OG 3.1Å; L263-L287 HydrophobicContact CD2-CD2 4.19Å; L263-L287 HydrophobicContact CG-CD2 4.04Å; L263-L287 PolarHBondContact O-N 2.79Å
264T98.5Very high96Very high39 Ų3938.7 Ų38.724%0.23920%0.198CC..  trans-104.2-23.7-178.158.30000113.4R241 N262 M288 H289R241-T264 PolarHBondContact O-N 2.98Å; R241-T264 PolarHBondContact O-OG1 2.7Å; N262-T264 PolarHBondContact O-N 2.92Å; T264-M288 HydrophobicContact CG2-SD 4.34Å; T264-M288 PolarHBondContact O-N 3.34Å; T264-H289 PolarHBondContact O-N 3.01Å
265T98.7Very high95.8Very high27 Ų2741.3 Ų41.317%0.16621%0.212CC..EExtended strand (participates in β ladder)trans-133.4123.3-178.1-55.80000109.5R241 Y242 L243 L263 V267 H289R241-T265 PolarHBondContact O-N 3.08Å; Y242-T265 WeakPolarHBondContact CA-O 3.41Å; Y242-T265 HydrophobicContact CD2-CG2 3.44Å; Y242-T265 VanDerWaalsContact CD2-CG2 3.44Å; Y242-T265 HydrophobicContact CE2-CG2 3.53Å; Y242-T265 HydrophobicContact CG-CG2 4.42Å; L243-T265 PolarHBondContact N-O 3.36Å; L263-T265 WeakPolarHBondContact CD1-O 3.21Å; T265-V267 HydrophobicContact CG2-CG2 4.11Å; T265-H289 WeakPolarHBondContact CA-O 3.35Å; T265-H289 HydrophobicContact CG2-CB 3.99Å
266L98.8Very high95.6Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-127120.2175.7178.459.7000109.2L243 I257 L263 L268 I281 L287 H289 L290 D291L243-L266 HydrophobicContact CB-CD1 4.22Å; L243-L266 HydrophobicContact CD2-CD1 4.18Å; L243-L266 HydrophobicContact CG-CD1 4.21Å; L243-L266 WeakPolarHBondContact O-CA 3.47Å; I257-L266 HydrophobicContact CD1-CD2 3.83Å; L263-L266 HydrophobicContact CD2-CB 4.34Å; L263-L266 HydrophobicContact CD2-CD1 4.44Å; L266-L268 HydrophobicContact CD1-CD2 3.98Å; L266-L268 HydrophobicContact CD1-CG 4.17Å; L266-L268 HydrophobicContact CD2-CD1 3.98Å; L266-L268 HydrophobicContact CD2-CG 4.41Å; L266-L268 HydrophobicContact CG-CD1 4.07Å; L266-L268 HydrophobicContact CG-CD2 4.32Å; L266-L268 HydrophobicContact CG-CG 3.96Å; L266-I281 HydrophobicContact CD2-CG1 4.13Å; L266-L287 HydrophobicContact CB-CD2 3.64Å; L266-L287 HydrophobicContact CD2-CD1 4.38Å; L266-H289 PolarHBondContact N-O 3.25Å; L266-L290 HydrophobicContact CB-CD1 4.07Å; L266-L290 HydrophobicContact CD2-CD1 4.06Å; L266-L290 HydrophobicContact CG-CD1 4.15Å; L266-D291 PolarHBondContact O-N 3.33Å
267V98.5Very high95.7Very high17 Ų1739.5 Ų39.510%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-113.1117.9-179.8-1750000109.5Y242 L243 D244 L245 S246 T265 N269 D291Y242-V267 HydrophobicContact CE2-CG2 4.33Å; L243-V267 PolarHBondContact O-N 3.47Å; D244-V267 HydrophobicContact CB-CB 4.03Å; L245-V267 PolarHBondContact N-O 2.86Å; S246-V267 WeakPolarHBondContact OG-CG1 3.24Å; T265-V267 HydrophobicContact CG2-CG2 4.11Å; V267-N269 HydrophobicContact CG1-CB 4.34Å; V267-D291 HydrophobicContact CB-CB 4.47Å; V267-D291 HydrophobicContact CG1-CB 4.14Å; V267-D291 HydrophobicContact CG2-CB 4.46Å
268L97.7Very high95.6Very high0 Ų039.6 Ų39.60%021%0.207CC..  trans-126.832.7-178-57.4176.1000111L245 L251 M254 L266 D270 V271 L274 I281 D291 L292L245-L268 HydrophobicContact CB-CD2 3.91Å; L245-L268 HydrophobicContact CD1-CD2 4.41Å; L251-L268 HydrophobicContact CD1-CD2 3.8Å; M254-L268 HydrophobicContact CE-CD1 4.26Å; M254-L268 HydrophobicContact CE-CD2 3.92Å; M254-L268 HydrophobicContact SD-CD1 4.16Å; M254-L268 HydrophobicContact SD-CD2 4.42Å; L266-L268 HydrophobicContact CD1-CD2 3.98Å; L266-L268 HydrophobicContact CD1-CG 4.17Å; L266-L268 HydrophobicContact CD2-CD1 3.98Å; L266-L268 HydrophobicContact CD2-CG 4.41Å; L266-L268 HydrophobicContact CG-CD1 4.07Å; L266-L268 HydrophobicContact CG-CD2 4.32Å; L266-L268 HydrophobicContact CG-CG 3.96Å; L268-D270 PolarHBondContact O-N 3.01Å; L268-V271 HydrophobicContact CB-CB 4.18Å; L268-V271 HydrophobicContact CB-CG2 3.92Å; L268-V271 HydrophobicContact CD2-CG2 4.26Å; L268-V271 WeakPolarHBondContact O-CB 3.22Å; L268-V271 WeakPolarHBondContact O-CG2 3.26Å; L268-V271 PolarHBondContact O-N 3.3Å; L268-V271 VanDerWaalsContact O-N 3.13Å; L268-L274 HydrophobicContact CB-CD1 4.44Å; L268-L274 HydrophobicContact CB-CD2 4.15Å; L268-L274 HydrophobicContact CD1-CD2 3.72Å; L268-L274 HydrophobicContact CG-CD2 4.47Å; L268-I281 HydrophobicContact CD1-CD1 3.74Å; L268-I281 HydrophobicContact CD1-CG1 4.47Å; L268-D291 CarbonylContact C-O 3.55Å; L268-D291 WeakPolarHBondContact CA-O 3.44Å; L268-D291 WeakPolarHBondContact CB-O 3.47Å; L268-D291 PolarHBondContact N-O 3.18Å; L268-L292 HydrophobicContact CB-CD2 4.18Å; L268-L292 HydrophobicContact CD1-CD2 3.85Å; L268-L292 HydrophobicContact CG-CD2 4.47Å
269N95.6Very high95.6Very high28 Ų2839.8 Ų39.815%0.1521%0.211CC..THydrogen-bonded Turntrans-56.2133176.9167.776000110.7S246 G247 V267 V271 S293 H295S246-N269 CarbonylContact C-O 3.25Å; S246-N269 WeakPolarHBondContact CA-O 3.15Å; S246-N269 VanDerWaalsContact CB-O 3.29Å; S246-N269 WeakPolarHBondContact CB-O 3.44Å; G247-N269 PolarHBondContact N-O 3.13Å; V267-N269 HydrophobicContact CG1-CB 4.34Å; N269-V271 PolarHBondContact O-N 3.04Å; N269-S293 CarbonylContact C-O 3.54Å; N269-S293 VanDerWaalsContact CA-O 3.31Å; N269-S293 WeakPolarHBondContact CA-O 3.21Å; N269-S293 PolarHBondContact OD1-OG 3.06Å; N269-S293 VanDerWaalsContact OD1-OG 3.04Å; N269-H295 PolarHBondContact OD1-CE1 3.13Å; N269-H295 VanDerWaalsContact OD1-CE1 3.29Å; N269-H295 PolarHBondContact OD1-ND1 2.95Å
270D94.4Very high95.7Very high47 Ų4735.3 Ų35.325%0.25118%0.182SC..THydrogen-bonded Turntrans55.825.7-176.6-61.7-45.9000115.4L268 S293 H295L268-D270 PolarHBondContact O-N 3.01Å; D270-S293 PolarHBondContact N-O 3.48Å; D270-H295 WeakPolarHBondContact OD1-CB 3.29Å; D270-H295 IonicContact OD1-CG 2.76Å; D270-H295 PolarHBondContact OD1-N 2.73Å; D270-H295 IonicContact OD1-ND1 3.51Å; D270-H295 PolarHBondContact OD1-ND1 2.91Å; D270-H295 IonicContact OD2-CE1 2.63Å; D270-H295 PolarHBondContact OD2-CE1 3.26Å; D270-H295 VanDerWaalsContact OD2-CE1 3.32Å; D270-H295 IonicContact OD2-CG 3.62Å; D270-H295 IonicContact OD2-ND1 4Å; D270-H295 PolarHBondContact OD2-ND1 3.09Å
271V94.1Very high95.7Very high1 Ų135.1 Ų35.11%0.00618%0.181CC..  trans-83.7129.9170.7176.60000109.9L245 W248 L251 L268 N269 L274 Q294L245-V271 WeakPolarHBondContact O-CG2 3.36Å; W248-V271 HydrophobicContact CB-CG2 4.47Å; W248-V271 VanDerWaalsContact O-CA 3.31Å; W248-V271 WeakPolarHBondContact O-CA 3.39Å; L251-V271 HydrophobicContact CB-CG1 4.46Å; L251-V271 HydrophobicContact CD1-CG1 3.72Å; L251-V271 HydrophobicContact CD1-CG2 4.07Å; L251-V271 HydrophobicContact CG-CG1 3.94Å; L268-V271 HydrophobicContact CB-CB 4.18Å; L268-V271 HydrophobicContact CB-CG2 3.92Å; L268-V271 HydrophobicContact CD2-CG2 4.26Å; L268-V271 WeakPolarHBondContact O-CB 3.22Å; L268-V271 WeakPolarHBondContact O-CG2 3.26Å; L268-V271 PolarHBondContact O-N 3.3Å; L268-V271 VanDerWaalsContact O-N 3.13Å; N269-V271 PolarHBondContact O-N 3.04Å; V271-L274 HydrophobicContact CB-CD1 4.2Å; V271-L274 HydrophobicContact CB-CD2 3.95Å; V271-L274 HydrophobicContact CB-CG 4.09Å; V271-L274 HydrophobicContact CG1-CD2 3.58Å; V271-L274 HydrophobicContact CG1-CG 3.94Å; V271-L274 WeakPolarHBondContact O-CD1 3.41Å; V271-L274 WeakPolarHBondContact O-CG 3.26Å; V271-Q294 PolarHBondContact O-NE2 3.02Å
272Q91.1Very high95.8Very high75 Ų7530 Ų3035%0.3516%0.158SC..SBendtrans-89.5159179.9-45.9-178.20.600112W248 R249 L274W248-Q272 PolarHBondContact O-N 3.46Å; R249-Q272 WeakPolarHBondContact O-CB 3.33Å; Q272-L274 VanDerWaalsContact C-N 3.27Å; Q272-L274 PolarHBondContact O-N 3.13Å
273H88.7Confident95.8Very high101 Ų10129.9 Ų29.947%0.46816%0.161SC..  trans56.537.3176.3-53.5-69.5000114.2H250 D275 L276H250-H273 AromaticContact CE1-CD2 3.57Å; H250-H273 AromaticContact CE1-NE2 3.74Å; H250-H273 AromaticContact ND1-CD2 3.48Å; H250-H273 PolarHBondContact ND1-CD2 3.44Å; H273-D275 PolarHBondContact O-N 3.42Å; H273-D275 VanDerWaalsContact O-N 3.17Å; H273-L276 PolarHBondContact O-N 3Å
274L93.6Very high95.8Very high7 Ų730 Ų304%0.03716%0.162CC..G310 helixtrans-63.1-18.6-179.7-78169.7000113.7L268 V271 Q272 L276 A277 I278 L292 F302L268-L274 HydrophobicContact CB-CD1 4.44Å; L268-L274 HydrophobicContact CB-CD2 4.15Å; L268-L274 HydrophobicContact CD1-CD2 3.72Å; L268-L274 HydrophobicContact CG-CD2 4.47Å; V271-L274 HydrophobicContact CB-CD1 4.2Å; V271-L274 HydrophobicContact CB-CD2 3.95Å; V271-L274 HydrophobicContact CB-CG 4.09Å; V271-L274 HydrophobicContact CG1-CD2 3.58Å; V271-L274 HydrophobicContact CG1-CG 3.94Å; V271-L274 WeakPolarHBondContact O-CD1 3.41Å; V271-L274 WeakPolarHBondContact O-CG 3.26Å; Q272-L274 VanDerWaalsContact C-N 3.27Å; Q272-L274 PolarHBondContact O-N 3.13Å; L274-L276 PolarHBondContact O-N 2.73Å; L274-L276 VanDerWaalsContact O-N 3.12Å; L274-A277 PolarHBondContact O-N 3.2Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 3.46Å; L274-L292 HydrophobicContact CD1-CB 4.3Å; L274-L292 HydrophobicContact CD1-CD2 4.17Å; L274-F302 HydrophobicContact CB-CE1 4.01Å; L274-F302 HydrophobicContact CB-CZ 3.85Å
275D91.5Very high95.8Very high58 Ų5833.1 Ų33.131%0.3117%0.172SC..G310 helixtrans-48.7-38.9173.4-68.2-72.5000112.7H273 A277 F302H273-D275 PolarHBondContact O-N 3.42Å; H273-D275 VanDerWaalsContact O-N 3.17Å; D275-A277 VanDerWaalsContact C-N 3.28Å; D275-A277 PolarHBondContact O-N 3.2Å; D275-F302 WeakPolarHBondContact OD1-CA 3.41Å; D275-F302 WeakPolarHBondContact OD1-CB 3.49Å; D275-F302 WeakPolarHBondContact OD1-CD1 3.48Å
276L91.6Very high95.8Very high81 Ų8132.9 Ų32.942%0.42417%0.171SC..G310 helixtrans-70.2-25.1-178.5-59.5179000112.8Y253 H273 L274Y253-L276 WeakPolarHBondContact CA-O 3.34Å; Y253-L276 HydrophobicContact CD1-CB 4.19Å; Y253-L276 WeakPolarHBondContact CD1-O 3.35Å; Y253-L276 HydrophobicContact CE1-CB 4.31Å; Y253-L276 HydrophobicContact CE1-CD2 4.08Å; H273-L276 PolarHBondContact O-N 3Å; L274-L276 PolarHBondContact O-N 2.73Å; L274-L276 VanDerWaalsContact O-N 3.12Å
277A95.6Very high95.7Very high1 Ų132.9 Ų32.91%0.00817%0.171CC..G310 helixtrans-93.4-11.9-174.700000113.5M254 L274 D275 D279 A280 I281M254-A277 HydrophobicContact CB-CB 4.01Å; M254-A277 HydrophobicContact CG-CB 3.61Å; M254-A277 HydrophobicContact SD-CB 3.46Å; M254-A277 WeakPolarHBondContact SD-CB 3.49Å; L274-A277 PolarHBondContact O-N 3.2Å; D275-A277 VanDerWaalsContact C-N 3.28Å; D275-A277 PolarHBondContact O-N 3.2Å; A277-D279 VanDerWaalsContact C-N 3.26Å; A277-D279 PolarHBondContact O-N 2.92Å; A277-A280 PolarHBondContact O-N 2.91Å; A277-A280 VanDerWaalsContact O-N 3.12Å; A277-I281 HydrophobicContact CB-CD1 4.04Å; A277-I281 HydrophobicContact CB-CG1 4.5Å; A277-I281 WeakPolarHBondContact O-CG1 3.33Å; A277-I281 PolarHBondContact O-N 2.83Å
278I96.8Very high95.7Very high2 Ų235.4 Ų35.41%0.0118%0.183CC..Hα-helixtrans-55.6-40.9-173.6-65.1-58.2000112.1L274 I281 C282 F302 T308 L312L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 3.46Å; I278-I281 HydrophobicContact CD1-CD1 4.49Å; I278-I281 PolarHBondContact O-N 3.38Å; I278-C282 VanDerWaalsContact O-CB 3.3Å; I278-C282 WeakPolarHBondContact O-CB 3.31Å; I278-C282 PolarHBondContact O-N 3.42Å; I278-C282 PolarHBondContact O-SG 3.29Å; I278-F302 HydrophobicContact CD1-CE1 3.98Å; I278-F302 HydrophobicContact CG1-CE1 4.28Å; I278-T308 HydrophobicContact CD1-CG2 3.73Å; I278-T308 HydrophobicContact CG1-CG2 3.76Å; I278-T308 HydrophobicContact CG2-CG2 4.21Å; I278-L312 HydrophobicContact CD1-CD1 4.26Å; I278-L312 HydrophobicContact CD1-CD2 4.21Å; I278-L312 HydrophobicContact CD1-CG 4.46Å; I278-L312 HydrophobicContact CG2-CD2 4.49Å
279D96.6Very high95.8Very high89 Ų8939.2 Ų39.248%0.47620%0.2SC..Hα-helixtrans-63-45.7179.8-70.30.2000111.9A277 C282 S283 R311A277-D279 VanDerWaalsContact C-N 3.26Å; A277-D279 PolarHBondContact O-N 2.92Å; D279-C282 PolarHBondContact O-N 3.28Å; D279-S283 PolarHBondContact O-N 3.2Å; D279-R311 IonicContact OD1-CZ 3.26Å; D279-R311 IonicContact OD1-NH1 3.65Å; D279-R311 PolarHBondContact OD1-NH1 3.02Å; D279-R311 IonicContact OD1-NH2 2.92Å; D279-R311 PolarHBondContact OD1-NH2 3.29Å
280A97.8Very high95.9Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-66.3-42.1176.800000111.3Y253 M254 I257 E258 A277 C282 S283Y253-A280 WeakPolarHBondContact O-CB 3.45Å; M254-A280 HydrophobicContact CB-CB 4.18Å; I257-A280 HydrophobicContact CG1-CB 4.43Å; E258-A280 HydrophobicContact CG-CB 4.14Å; A277-A280 PolarHBondContact O-N 2.91Å; A277-A280 VanDerWaalsContact O-N 3.12Å; A280-C282 PolarHBondContact O-N 3.43Å; A280-S283 WeakPolarHBondContact O-CB 3.39Å; A280-S283 PolarHBondContact O-N 2.94Å; A280-S283 VanDerWaalsContact O-N 3.11Å; A280-S283 PolarHBondContact O-OG 2.93Å
281I98.4Very high96.1Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-58.7-48.3175.2-66.8165.8000110.1I257 L266 L268 A277 I278 S283 V284 L287 L290 L292 L312 L316I257-I281 HydrophobicContact CD1-CG1 4.08Å; L266-I281 HydrophobicContact CD2-CG1 4.13Å; L268-I281 HydrophobicContact CD1-CD1 3.74Å; L268-I281 HydrophobicContact CD1-CG1 4.47Å; A277-I281 HydrophobicContact CB-CD1 4.04Å; A277-I281 HydrophobicContact CB-CG1 4.5Å; A277-I281 WeakPolarHBondContact O-CG1 3.33Å; A277-I281 PolarHBondContact O-N 2.83Å; I278-I281 HydrophobicContact CD1-CD1 4.49Å; I278-I281 PolarHBondContact O-N 3.38Å; I281-S283 PolarHBondContact O-N 3.18Å; I281-S283 VanDerWaalsContact O-N 3.13Å; I281-V284 PolarHBondContact O-N 2.9Å; I281-V284 VanDerWaalsContact O-N 3.09Å; I281-L287 HydrophobicContact CG2-CD1 4.05Å; I281-L290 HydrophobicContact CG2-CD1 4.12Å; I281-L290 HydrophobicContact CG2-CD2 3.78Å; I281-L292 HydrophobicContact CD1-CD2 4.31Å; I281-L312 HydrophobicContact CG2-CD2 3.95Å; I281-L316 HydrophobicContact CG2-CD1 4.41Å
282C98.2Very high96.2Very high7 Ų737.4 Ų37.45%0.04719%0.191CC..Hα-helixtrans-61.2-22.1178.5-72.20000113.1I278 D279 A280 K285I278-C282 VanDerWaalsContact O-CB 3.3Å; I278-C282 WeakPolarHBondContact O-CB 3.31Å; I278-C282 PolarHBondContact O-N 3.42Å; I278-C282 PolarHBondContact O-SG 3.29Å; D279-C282 PolarHBondContact O-N 3.28Å; A280-C282 PolarHBondContact O-N 3.43Å; C282-K285 WeakPolarHBondContact O-CE 3.14Å; C282-K285 PolarHBondContact O-NZ 3.1Å
283S97.9Very high96.4Very high47 Ų4734.2 Ų34.233%0.32918%0.177SC..Hα-helixtrans-73.8-25.5177.583.40000113.2E258 D279 A280 I281 K285E258-S283 WeakPolarHBondContact CG-OG 3.08Å; D279-S283 PolarHBondContact O-N 3.2Å; A280-S283 WeakPolarHBondContact O-CB 3.39Å; A280-S283 PolarHBondContact O-N 2.94Å; A280-S283 VanDerWaalsContact O-N 3.11Å; A280-S283 PolarHBondContact O-OG 2.93Å; I281-S283 PolarHBondContact O-N 3.18Å; I281-S283 VanDerWaalsContact O-N 3.13Å; S283-K285 PolarHBondContact O-N 3.03Å
284V97.9Very high96.7Very high4 Ų429.9 Ų29.92%0.02416%0.157CC..  trans-84.481.2-174.4-170.30000110.5I257 L263 I281 S286 L287 L316I257-V284 HydrophobicContact CD1-CG2 4.04Å; I257-V284 HydrophobicContact CG1-CG2 3.94Å; L263-V284 HydrophobicContact CB-CG1 4.03Å; L263-V284 HydrophobicContact CD2-CG1 4.41Å; I281-V284 PolarHBondContact O-N 2.9Å; I281-V284 VanDerWaalsContact O-N 3.09Å; V284-S286 PolarHBondContact O-N 2.85Å; V284-L287 HydrophobicContact CB-CD1 3.93Å; V284-L287 HydrophobicContact CB-CG 3.99Å; V284-L287 HydrophobicContact CG1-CD1 4.31Å; V284-L287 HydrophobicContact CG1-CD2 4.49Å; V284-L287 HydrophobicContact CG1-CG 3.84Å; V284-L287 WeakPolarHBondContact O-CG 3.5Å; V284-L287 PolarHBondContact O-N 3.42Å; V284-L287 VanDerWaalsContact O-N 3.15Å; V284-L316 WeakPolarHBondContact O-CD2 3.32Å
285K98Very high96.5Very high103 Ų10336.8 Ų36.845%0.44819%0.188SC..THydrogen-bonded Turntrans-65.2-12.2-172.9-54-50.5-175.1-176.20115.4C282 S283 S315C282-K285 WeakPolarHBondContact O-CE 3.14Å; C282-K285 PolarHBondContact O-NZ 3.1Å; S283-K285 PolarHBondContact O-N 3.03Å; K285-S315 VanDerWaalsContact CD-O 3.24Å; K285-S315 WeakPolarHBondContact CD-O 3.36Å; K285-S315 PolarHBondContact NZ-O 3.5Å
286S98.2Very high96.3Very high22 Ų2238 Ų3815%0.15420%0.195CC..THydrogen-bonded Turntrans-84.1-7.817742.40000114.3H261 L263 V284 M288H261-S286 WeakPolarHBondContact O-CB 3.49Å; H261-S286 PolarHBondContact O-OG 3.23Å; L263-S286 CarbonylContact O-C 3.52Å; L263-S286 VanDerWaalsContact O-C 3.22Å; L263-S286 PolarHBondContact O-OG 3Å; L263-S286 VanDerWaalsContact O-OG 3.1Å; V284-S286 PolarHBondContact O-N 2.85Å; S286-M288 PolarHBondContact O-N 3.02Å
287L98.5Very high95.8Very high0 Ų040.5 Ų40.50%020%0.199CC..  trans-62.3127.4179.1-75.3173.7000111.6L263 L266 I281 V284 L316 L318 L319L263-L287 HydrophobicContact CD2-CD2 4.19Å; L263-L287 HydrophobicContact CG-CD2 4.04Å; L263-L287 PolarHBondContact O-N 2.79Å; L266-L287 HydrophobicContact CB-CD2 3.64Å; L266-L287 HydrophobicContact CD2-CD1 4.38Å; I281-L287 HydrophobicContact CG2-CD1 4.05Å; V284-L287 HydrophobicContact CB-CD1 3.93Å; V284-L287 HydrophobicContact CB-CG 3.99Å; V284-L287 HydrophobicContact CG1-CD1 4.31Å; V284-L287 HydrophobicContact CG1-CD2 4.49Å; V284-L287 HydrophobicContact CG1-CG 3.84Å; V284-L287 WeakPolarHBondContact O-CG 3.5Å; V284-L287 PolarHBondContact O-N 3.42Å; V284-L287 VanDerWaalsContact O-N 3.15Å; L287-L316 HydrophobicContact CB-CD2 4.4Å; L287-L316 HydrophobicContact CD1-CD1 4.42Å; L287-L316 HydrophobicContact CD1-CD2 4.3Å; L287-L318 CarbonylContact O-C 3.34Å; L287-L319 PolarHBondContact O-N 3.01Å
288M98.1Very high95.3Very high71 Ų7146.7 Ų46.735%0.3523%0.23SC..  trans-113-31.8175.2-62.3177.970.300111.7T264 S286 L318 T320 A321T264-M288 HydrophobicContact CG2-SD 4.34Å; T264-M288 PolarHBondContact O-N 3.34Å; S286-M288 PolarHBondContact O-N 3.02Å; M288-L318 WeakPolarHBondContact CA-O 3.34Å; M288-L318 HydrophobicContact CG-CB 4.22Å; M288-T320 PolarHBondContact O-N 3.03Å; M288-T320 PolarHBondContact O-OG1 2.84Å; M288-T320 VanDerWaalsContact O-OG1 3.08Å; M288-A321 PolarHBondContact O-N 3.36Å
289H98.2Very high94.8Very high79 Ų7948 Ų4837%0.36624%0.24SC..EExtended strand (participates in β ladder)trans-127.5119.4-179.1-51.977.3000108.4T264 T265 L266 A321T264-H289 PolarHBondContact O-N 3.01Å; T265-H289 WeakPolarHBondContact CA-O 3.35Å; T265-H289 HydrophobicContact CG2-CB 3.99Å; L266-H289 PolarHBondContact N-O 3.25Å; H289-A321 WeakPolarHBondContact CA-O 3.09Å; H289-A321 HydrophobicContact CB-CB 4.43Å
290L98.5Very high94.3Very high3 Ų343.9 Ų43.92%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-126.3124.8177.2-179.361.9000109.1L266 I281 L292 L312 L316 L319 A321 L322 D323L266-L290 HydrophobicContact CB-CD1 4.07Å; L266-L290 HydrophobicContact CD2-CD1 4.06Å; L266-L290 HydrophobicContact CG-CD1 4.15Å; I281-L290 HydrophobicContact CG2-CD1 4.12Å; I281-L290 HydrophobicContact CG2-CD2 3.78Å; L290-L292 HydrophobicContact CD1-CD2 3.81Å; L290-L292 HydrophobicContact CD1-CG 4.35Å; L290-L292 HydrophobicContact CD2-CD1 4.17Å; L290-L292 HydrophobicContact CD2-CD2 4.32Å; L290-L292 HydrophobicContact CD2-CG 4.2Å; L290-L292 HydrophobicContact CG-CD1 4.49Å; L290-L292 HydrophobicContact CG-CD2 4.01Å; L290-L292 HydrophobicContact CG-CG 3.99Å; L290-L312 HydrophobicContact CD2-CD2 3.89Å; L290-L316 HydrophobicContact CD2-CD1 4.01Å; L290-L319 HydrophobicContact CB-CD1 3.76Å; L290-A321 PolarHBondContact N-O 2.91Å; L290-L322 HydrophobicContact CB-CD1 4.07Å; L290-L322 HydrophobicContact CD2-CD1 4.02Å; L290-L322 HydrophobicContact CG-CD1 4.1Å; L290-L322 WeakPolarHBondContact O-CA 3.36Å; L290-D323 PolarHBondContact O-N 3.12Å
291D98Very high93.9Very high36 Ų3650.1 Ų50.119%0.19325%0.247CC..EExtended strand (participates in β ladder)trans-118.3113.4176.2179.6-6.5000109L266 V267 L268 S293 D323L266-D291 PolarHBondContact O-N 3.33Å; V267-D291 HydrophobicContact CB-CB 4.47Å; V267-D291 HydrophobicContact CG1-CB 4.14Å; V267-D291 HydrophobicContact CG2-CB 4.46Å; L268-D291 CarbonylContact C-O 3.55Å; L268-D291 WeakPolarHBondContact CA-O 3.44Å; L268-D291 WeakPolarHBondContact CB-O 3.47Å; L268-D291 PolarHBondContact N-O 3.18Å; D291-S293 WeakPolarHBondContact OD1-CB 3.44Å; D291-S293 PolarHBondContact OD1-N 3.16Å; D291-S293 PolarHBondContact OD1-OG 3.15Å; D291-D323 HydrophobicContact CB-CB 4.23Å
292L97.2Very high93.7Very high0 Ų050.5 Ų50.50%025%0.249CC..  trans-113.516.8176-54.2-177.8000111.2L268 L274 I281 L290 L312 D323 I324 T327 L329L268-L292 HydrophobicContact CB-CD2 4.18Å; L268-L292 HydrophobicContact CD1-CD2 3.85Å; L268-L292 HydrophobicContact CG-CD2 4.47Å; L274-L292 HydrophobicContact CD1-CB 4.3Å; L274-L292 HydrophobicContact CD1-CD2 4.17Å; I281-L292 HydrophobicContact CD1-CD2 4.31Å; L290-L292 HydrophobicContact CD1-CD2 3.81Å; L290-L292 HydrophobicContact CD1-CG 4.35Å; L290-L292 HydrophobicContact CD2-CD1 4.17Å; L290-L292 HydrophobicContact CD2-CD2 4.32Å; L290-L292 HydrophobicContact CD2-CG 4.2Å; L290-L292 HydrophobicContact CG-CD1 4.49Å; L290-L292 HydrophobicContact CG-CD2 4.01Å; L290-L292 HydrophobicContact CG-CG 3.99Å; L292-L312 HydrophobicContact CD1-CD1 3.71Å; L292-D323 PolarHBondContact N-O 3.21Å; L292-I324 HydrophobicContact CB-CG2 4.48Å; L292-T327 WeakPolarHBondContact O-CG2 3.48Å; L292-L329 HydrophobicContact CD1-CD1 4.22Å
293S95.1Very high93.4Very high8 Ų853.4 Ų53.46%0.05627%0.269CS..  trans-61.6155-172.160.60000113N269 D270 D291 S325N269-S293 CarbonylContact C-O 3.54Å; N269-S293 VanDerWaalsContact CA-O 3.31Å; N269-S293 WeakPolarHBondContact CA-O 3.21Å; N269-S293 PolarHBondContact OD1-OG 3.06Å; N269-S293 VanDerWaalsContact OD1-OG 3.04Å; D270-S293 PolarHBondContact N-O 3.48Å; D291-S293 WeakPolarHBondContact OD1-CB 3.44Å; D291-S293 PolarHBondContact OD1-N 3.16Å; D291-S293 PolarHBondContact OD1-OG 3.15Å; S293-S325 CarbonylContact C-O 3.27Å; S293-S325 VanDerWaalsContact CA-O 3.26Å; S293-S325 WeakPolarHBondContact CA-O 3.47Å; S293-S325 VanDerWaalsContact CB-OG 3.22Å; S293-S325 WeakPolarHBondContact CB-OG 3.05Å
294Q94.4Very high93.1Very high10 Ų1055.2 Ų55.25%0.04727%0.269CS..  trans-138.4132.4-176.5-60.4-72-41.600110V271 S299 S325 G326 T327V271-Q294 PolarHBondContact O-NE2 3.02Å; Q294-S299 PolarHBondContact OE1-OG 3.36Å; Q294-S325 PolarHBondContact N-O 2.61Å; Q294-G326 WeakPolarHBondContact O-CA 3.33Å; Q294-T327 HydrophobicContact CG-CG2 3.99Å
295H91Very high92.8Very high151 Ų15155.1 Ų55.170%0.69927%0.268SS*.SBendtrans-78.1-29.6169.8-64.979.4000111.5N269 D270N269-H295 PolarHBondContact OD1-CE1 3.13Å; N269-H295 VanDerWaalsContact OD1-CE1 3.29Å; N269-H295 PolarHBondContact OD1-ND1 2.95Å; D270-H295 WeakPolarHBondContact OD1-CB 3.29Å; D270-H295 IonicContact OD1-CG 2.76Å; D270-H295 PolarHBondContact OD1-N 2.73Å; D270-H295 IonicContact OD1-ND1 3.51Å; D270-H295 PolarHBondContact OD1-ND1 2.91Å; D270-H295 IonicContact OD2-CE1 2.63Å; D270-H295 PolarHBondContact OD2-CE1 3.26Å; D270-H295 VanDerWaalsContact OD2-CE1 3.32Å; D270-H295 IonicContact OD2-CG 3.62Å; D270-H295 IonicContact OD2-ND1 4Å; D270-H295 PolarHBondContact OD2-ND1 3.09Å
296N86Confident92.5Very high84 Ų8451 Ų5145%0.44925%0.252SS..SBendtrans-107.1118.1176.1-175.5-2.4000110.9I298 S299 G300N296-I298 PolarHBondContact O-N 2.96Å; N296-I298 PolarHBondContact OD1-N 3.07Å; N296-S299 PolarHBondContact O-N 3.32Å; N296-S299 PolarHBondContact O-OG 2.94Å; N296-G300 PolarHBondContact O-N 3.31Å
297R81.6Confident92.2Very high134 Ų13450.9 Ų50.951%0.50625%0.249SC..G310 helixtrans-61-30.2179.9-67.6-171.7176.8-159.55.8114.1S299 G300 P373 S374R297-S299 VanDerWaalsContact C-N 3.3Å; R297-S299 PolarHBondContact O-N 2.72Å; R297-G300 PolarHBondContact O-N 3.26Å; R297-G300 VanDerWaalsContact O-N 3.1Å; R297-P373 PolarHBondContact NH2-O 2.9Å; R297-S374 PolarHBondContact NH1-OXT 3.12Å; R297-S374 PolarHBondContact NH2-OXT 3.14Å
298I85Confident92.1Very high131 Ų13151.1 Ų51.167%0.67225%0.25SS*.G310 helixtrans-65.2-35.9-178.9-59172.6000110.8N296 G300N296-I298 PolarHBondContact O-N 2.96Å; N296-I298 PolarHBondContact OD1-N 3.07Å; I298-G300 VanDerWaalsContact C-N 3.3Å
299S85.4Confident91.9Very high30 Ų3049.3 Ų49.321%0.2124%0.242CC..G310 helixtrans-80-13.417653.30000113.5Q294 N296 R297Q294-S299 PolarHBondContact OE1-OG 3.36Å; N296-S299 PolarHBondContact O-N 3.32Å; N296-S299 PolarHBondContact O-OG 2.94Å; R297-S299 VanDerWaalsContact C-N 3.3Å; R297-S299 PolarHBondContact O-N 2.72Å
300G87Confident91.7Very high1 Ų147.9 Ų47.91%0.0124%0.237CC..G310 helixtrans-95.114.4178.500000115N296 R297 I298 F302 T327 N328N296-G300 PolarHBondContact O-N 3.31Å; R297-G300 PolarHBondContact O-N 3.26Å; R297-G300 VanDerWaalsContact O-N 3.1Å; I298-G300 VanDerWaalsContact C-N 3.3Å; G300-F302 WeakPolarHBondContact O-CD2 3.46Å; G300-T327 VanDerWaalsContact O-CA 3.29Å; G300-T327 WeakPolarHBondContact O-CA 3.49Å; G300-T327 WeakPolarHBondContact O-CB 3.45Å; G300-N328 PolarHBondContact O-N 3.05Å; G300-N328 PolarHBondContact O-OD1 2.93Å
301E90.4Very high91.5Very high132 Ų13251.5 Ų51.562%0.61725%0.251SS*.  trans-83114.1175.1-70.2-172.2175.600111
302F92.3Very high91.4Very high8 Ų849.8 Ų49.84%0.03524%0.242CC..  trans-92.2138.8166.7-67.1-102.1000108.8L274 D275 I278 G300 R304 P305 T308 T327 N328 L329L274-F302 HydrophobicContact CB-CE1 4.01Å; L274-F302 HydrophobicContact CB-CZ 3.85Å; D275-F302 WeakPolarHBondContact OD1-CA 3.41Å; D275-F302 WeakPolarHBondContact OD1-CB 3.49Å; D275-F302 WeakPolarHBondContact OD1-CD1 3.48Å; I278-F302 HydrophobicContact CD1-CE1 3.98Å; I278-F302 HydrophobicContact CG1-CE1 4.28Å; G300-F302 WeakPolarHBondContact O-CD2 3.46Å; F302-R304 VanDerWaalsContact C-N 3.25Å; F302-R304 PolarHBondContact O-N 3.12Å; F302-P305 WeakPolarHBondContact O-CD 3.37Å; F302-T308 HydrophobicContact CD1-CG2 3.78Å; F302-T308 HydrophobicContact CE1-CG2 4.09Å; F302-T327 HydrophobicContact CE2-CG2 4.02Å; F302-N328 WeakPolarHBondContact CB-OD1 3.23Å; F302-N328 PolarHBondContact N-OD1 3.26Å; F302-N328 PolarHBondContact O-ND2 2.88Å; F302-L329 HydrophobicContact CB-CD2 4.01Å; F302-L329 HydrophobicContact CD1-CD2 3.93Å; F302-L329 HydrophobicContact CD2-CD1 4.2Å; F302-L329 HydrophobicContact CD2-CD2 3.61Å; F302-L329 HydrophobicContact CD2-CG 3.64Å; F302-L329 HydrophobicContact CE1-CD2 4.36Å; F302-L329 HydrophobicContact CE2-CD1 3.82Å; F302-L329 HydrophobicContact CE2-CD2 4.05Å; F302-L329 HydrophobicContact CE2-CG 3.79Å; F302-L329 HydrophobicContact CG-CD2 3.55Å; F302-L329 HydrophobicContact CG-CG 4.14Å; F302-L329 HydrophobicContact CZ-CD1 4.07Å; F302-L329 HydrophobicContact CZ-CD2 4.41Å; F302-L329 HydrophobicContact CZ-CG 4.39Å
303S92.1Very high91.3Very high68 Ų6850.7 Ų50.748%0.47625%0.247SC..SBendtrans-65.2-33.2179.6-490000112.1S334S303-S334 WeakPolarHBondContact O-CB 3.4Å; S303-S334 PolarHBondContact O-OG 3.39Å
304R91.7Very high91.3Very high85 Ų8553.8 Ų53.832%0.32127%0.268SS..SBendtrans-127.170.3-177.1-66.5175.3-69.7166.91.9110.2F302 V306 I307 T308 D336 D337 E340F302-R304 VanDerWaalsContact C-N 3.25Å; F302-R304 PolarHBondContact O-N 3.12Å; R304-V306 PolarHBondContact O-N 2.83Å; R304-I307 HydrophobicContact CB-CB 4.25Å; R304-T308 VanDerWaalsContact O-CB 3.23Å; R304-T308 WeakPolarHBondContact O-CB 3.4Å; R304-T308 PolarHBondContact O-N 3.27Å; R304-T308 PolarHBondContact O-OG1 3.31Å; R304-D336 HydrophobicContact CG-CB 3.72Å; R304-D337 VanDerWaalsContact CA-OD1 3.22Å; R304-D337 WeakPolarHBondContact CA-OD1 3.33Å; R304-D337 WeakPolarHBondContact CB-OD1 3.22Å; R304-E340 WeakPolarHBondContact CD-OE2 3.12Å; R304-E340 IonicContact CZ-OE2 3.32Å; R304-E340 IonicContact NE-OE2 3.71Å; R304-E340 IonicContact NH1-OE1 3.08Å; R304-E340 PolarHBondContact NH1-OE1 3.19Å; R304-E340 VanDerWaalsContact NH1-OE1 3.08Å; R304-E340 IonicContact NH1-OE2 2.66Å; R304-E340 PolarHBondContact NH1-OE2 2.65Å
305P92.8Very high91.4Very high1 Ų154.8 Ų54.81%0.00628%0.276CS..Hα-helixtrans-61.3-42.8-168.521.6-32.7000113.2F302 T308 L309 N328 L329 D337F302-P305 WeakPolarHBondContact O-CD 3.37Å; P305-T308 PolarHBondContact O-N 3.04Å; P305-L309 WeakPolarHBondContact O-CB 3.32Å; P305-L309 PolarHBondContact O-N 3.17Å; P305-N328 WeakPolarHBondContact CB-O 3.45Å; P305-L329 WeakPolarHBondContact O-CD2 3.4Å; P305-D337 WeakPolarHBondContact CD-OD2 3.38Å
306V91.5Very high91.7Very high18 Ų1847.8 Ų47.811%0.10924%0.243CC..Hα-helixtrans-72.8-43.6-175.5175.30000110.7R304 L309 D310 P333 D337 C358R304-V306 PolarHBondContact O-N 2.83Å; V306-L309 PolarHBondContact O-N 3.32Å; V306-D310 WeakPolarHBondContact O-CB 3.33Å; V306-D310 PolarHBondContact O-N 3.36Å; V306-P333 HydrophobicContact CG2-CB 4.04Å; V306-P333 HydrophobicContact CG2-CG 3.93Å; V306-D337 PolarHBondContact N-OD1 3.25Å; V306-D337 PolarHBondContact N-OD2 2.63Å; V306-C358 HydrophobicContact CG1-CB 4.33Å
307I91.9Very high92.1Very high18 Ų1847.9 Ų47.99%0.09225%0.249CC..Hα-helixtrans-64.3-42.6175.5-66.5173.8000110.4R304 L309 D310 R311 D337 E340 F341R304-I307 HydrophobicContact CB-CB 4.25Å; I307-L309 PolarHBondContact O-N 2.97Å; I307-D310 PolarHBondContact O-N 2.98Å; I307-R311 HydrophobicContact CG2-CG 4.3Å; I307-R311 WeakPolarHBondContact O-CB 3.49Å; I307-R311 WeakPolarHBondContact O-CG 3.17Å; I307-R311 PolarHBondContact O-N 2.73Å; I307-D337 WeakPolarHBondContact CB-OD1 3.29Å; I307-D337 HydrophobicContact CD1-CB 4.23Å; I307-D337 HydrophobicContact CG1-CB 4.37Å; I307-D337 VanDerWaalsContact CG1-OD1 3.29Å; I307-D337 WeakPolarHBondContact CG1-OD1 3.49Å; I307-D337 PolarHBondContact N-OD1 2.71Å; I307-E340 HydrophobicContact CD1-CB 3.82Å; I307-E340 HydrophobicContact CD1-CG 4.08Å; I307-E340 WeakPolarHBondContact CD1-OE2 3.24Å; I307-F341 HydrophobicContact CD1-CD2 4.23Å; I307-F341 HydrophobicContact CD1-CE2 4.04Å; I307-F341 HydrophobicContact CG1-CD2 4.44Å; I307-F341 HydrophobicContact CG1-CE2 3.76Å; I307-F341 HydrophobicContact CG1-CZ 4.18Å
308T95Very high92.9Very high5 Ų546.1 Ų46.13%0.03125%0.249CC..Hα-helixtrans-61.8-45.5177.6-66.90000111.8I278 F302 R304 P305 R311 L312 L329I278-T308 HydrophobicContact CD1-CG2 3.73Å; I278-T308 HydrophobicContact CG1-CG2 3.76Å; I278-T308 HydrophobicContact CG2-CG2 4.21Å; F302-T308 HydrophobicContact CD1-CG2 3.78Å; F302-T308 HydrophobicContact CE1-CG2 4.09Å; R304-T308 VanDerWaalsContact O-CB 3.23Å; R304-T308 WeakPolarHBondContact O-CB 3.4Å; R304-T308 PolarHBondContact O-N 3.27Å; R304-T308 PolarHBondContact O-OG1 3.31Å; P305-T308 PolarHBondContact O-N 3.04Å; T308-R311 PolarHBondContact O-N 3.42Å; T308-L312 HydrophobicContact CG2-CD1 4.25Å; T308-L312 WeakPolarHBondContact O-CG 3.42Å; T308-L312 PolarHBondContact O-N 3.1Å; T308-L329 HydrophobicContact CG2-CD2 3.58Å
309L95.6Very high93.5Very high34 Ų3440.9 Ų40.918%0.17822%0.222CC..Hα-helixtrans-63.7-45.7178.2-17858.9000111.7P305 V306 I307 R311 L312 V313 L322 I324 L329P305-L309 WeakPolarHBondContact O-CB 3.32Å; P305-L309 PolarHBondContact O-N 3.17Å; V306-L309 PolarHBondContact O-N 3.32Å; I307-L309 PolarHBondContact O-N 2.97Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 3.13Å; L309-L312 PolarHBondContact O-N 3.48Å; L309-V313 HydrophobicContact CD1-CG2 4.23Å; L309-V313 WeakPolarHBondContact O-CG2 3.36Å; L309-V313 PolarHBondContact O-N 3.24Å; L309-L322 HydrophobicContact CD1-CD2 3.79Å; L309-I324 HydrophobicContact CD1-CD1 4.2Å; L309-I324 HydrophobicContact CD2-CD1 4.47Å; L309-L329 HydrophobicContact CB-CB 4.39Å; L309-L329 WeakPolarHBondContact CD2-O 2.98Å
310D92.8Very high94Very high48 Ų4842 Ų4226%0.25723%0.228SC..Hα-helixtrans-57.4-46.1175.2177.769.3000111.1V306 I307 L312 V313 C314 C358V306-D310 WeakPolarHBondContact O-CB 3.33Å; V306-D310 PolarHBondContact O-N 3.36Å; I307-D310 PolarHBondContact O-N 2.98Å; D310-L312 VanDerWaalsContact C-N 3.34Å; D310-L312 PolarHBondContact O-N 3.17Å; D310-V313 PolarHBondContact O-N 3.48Å; D310-C314 VanDerWaalsContact O-CB 3.23Å; D310-C314 WeakPolarHBondContact O-CB 3.35Å; D310-C314 PolarHBondContact O-N 2.72Å; D310-C314 PolarHBondContact O-SG 3.11Å; D310-C314 PolarHBondContact OD1-SG 3.17Å; D310-C314 VanDerWaalsContact OD1-SG 3.36Å; D310-C358 HydrophobicContact CB-CB 4.37Å
311R94.7Very high94.4Very high80 Ų8043.1 Ų43.130%0.30224%0.237SC..Hα-helixtrans-59.2-43.3177.5-73.9-179.177-155.60.6112.4D279 I307 T308 L309 S315D279-R311 IonicContact OD1-CZ 3.26Å; D279-R311 IonicContact OD1-NH1 3.65Å; D279-R311 PolarHBondContact OD1-NH1 3.02Å; D279-R311 IonicContact OD1-NH2 2.92Å; D279-R311 PolarHBondContact OD1-NH2 3.29Å; I307-R311 HydrophobicContact CG2-CG 4.3Å; I307-R311 WeakPolarHBondContact O-CB 3.49Å; I307-R311 WeakPolarHBondContact O-CG 3.17Å; I307-R311 PolarHBondContact O-N 2.73Å; T308-R311 PolarHBondContact O-N 3.42Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 3.13Å; R311-S315 WeakPolarHBondContact O-CB 3.38Å; R311-S315 PolarHBondContact O-N 2.63Å; R311-S315 PolarHBondContact O-OG 3.43Å
312L96.1Very high94.8Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-61.9-51.1177-72.6169000111.2I278 I281 L290 L292 T308 L309 D310 S315 L316 L329I278-L312 HydrophobicContact CD1-CD1 4.26Å; I278-L312 HydrophobicContact CD1-CD2 4.21Å; I278-L312 HydrophobicContact CD1-CG 4.46Å; I278-L312 HydrophobicContact CG2-CD2 4.49Å; I281-L312 HydrophobicContact CG2-CD2 3.95Å; L290-L312 HydrophobicContact CD2-CD2 3.89Å; L292-L312 HydrophobicContact CD1-CD1 3.71Å; T308-L312 HydrophobicContact CG2-CD1 4.25Å; T308-L312 WeakPolarHBondContact O-CG 3.42Å; T308-L312 PolarHBondContact O-N 3.1Å; L309-L312 PolarHBondContact O-N 3.48Å; D310-L312 VanDerWaalsContact C-N 3.34Å; D310-L312 PolarHBondContact O-N 3.17Å; L312-S315 PolarHBondContact O-N 3.43Å; L312-L316 HydrophobicContact CD2-CD1 4.31Å; L312-L316 WeakPolarHBondContact O-CB 3.39Å; L312-L316 VanDerWaalsContact O-CG 3.32Å; L312-L316 WeakPolarHBondContact O-CG 3.3Å; L312-L316 PolarHBondContact O-N 2.93Å; L312-L329 HydrophobicContact CD1-CD1 4.46Å
313V94.4Very high95Very high18 Ų1838.3 Ų38.311%0.10922%0.215CC..Hα-helixtrans-64.6-43.2-177.9173.70000111.6L309 D310 C361 I364 L367L309-V313 HydrophobicContact CD1-CG2 4.23Å; L309-V313 WeakPolarHBondContact O-CG2 3.36Å; L309-V313 PolarHBondContact O-N 3.24Å; D310-V313 PolarHBondContact O-N 3.48Å; V313-C361 HydrophobicContact CG1-CB 4.29Å; V313-I364 HydrophobicContact CG1-CG1 4.12Å; V313-L367 HydrophobicContact CG2-CD2 4.12Å
314C94.9Very high95.1Very high73 Ų7335.2 Ų35.249%0.49319%0.194SC..Hα-helixtrans-77-29-178.2-71.50000113D310 C361D310-C314 VanDerWaalsContact O-CB 3.23Å; D310-C314 WeakPolarHBondContact O-CB 3.35Å; D310-C314 PolarHBondContact O-N 2.72Å; D310-C314 PolarHBondContact O-SG 3.11Å; D310-C314 PolarHBondContact OD1-SG 3.17Å; D310-C314 VanDerWaalsContact OD1-SG 3.36Å; C314-C361 VanDerWaalsContact SG-SG 3.68Å
315S97.3Very high95.2Very high32 Ų3232.4 Ų32.422%0.22419%0.187CC..Hα-helixtrans-87.2-20.8-177.1-60.50000114.1K285 R311 L312 P317K285-S315 VanDerWaalsContact CD-O 3.24Å; K285-S315 WeakPolarHBondContact CD-O 3.36Å; K285-S315 PolarHBondContact NZ-O 3.5Å; R311-S315 WeakPolarHBondContact O-CB 3.38Å; R311-S315 PolarHBondContact O-N 2.63Å; R311-S315 PolarHBondContact O-OG 3.43Å; L312-S315 PolarHBondContact O-N 3.43Å; S315-P317 WeakPolarHBondContact O-CD 3.1Å
316L97.2Very high95.2Very high3 Ų333.3 Ų33.32%0.01620%0.197CC..  trans-109.285.4-174.4-59.8177.9000110.6I281 V284 L287 L290 L312 L318 L319I281-L316 HydrophobicContact CG2-CD1 4.41Å; V284-L316 WeakPolarHBondContact O-CD2 3.32Å; L287-L316 HydrophobicContact CB-CD2 4.4Å; L287-L316 HydrophobicContact CD1-CD1 4.42Å; L287-L316 HydrophobicContact CD1-CD2 4.3Å; L290-L316 HydrophobicContact CD2-CD1 4.01Å; L312-L316 HydrophobicContact CD2-CD1 4.31Å; L312-L316 WeakPolarHBondContact O-CB 3.39Å; L312-L316 VanDerWaalsContact O-CG 3.32Å; L312-L316 WeakPolarHBondContact O-CG 3.3Å; L312-L316 PolarHBondContact O-N 2.93Å; L316-L318 PolarHBondContact O-N 3.34Å; L316-L318 VanDerWaalsContact O-N 3.16Å; L316-L319 HydrophobicContact CB-CB 3.83Å; L316-L319 HydrophobicContact CB-CD2 4.33Å; L316-L319 HydrophobicContact CD1-CD1 4.3Å; L316-L319 HydrophobicContact CD1-CD2 4.17Å; L316-L319 WeakPolarHBondContact O-CB 3.17Å; L316-L319 PolarHBondContact O-N 3.12Å
317P95.4Very high95.3Very high86 Ų8633.7 Ų33.756%0.55820%0.199SC*.THydrogen-bonded Turntrans-69.3-16.1-169.428.8-37.6000114.7S315S315-P317 WeakPolarHBondContact O-CD 3.1Å
318L97.5Very high95.3Very high97 Ų9734.6 Ų34.651%0.50820%0.204SC..THydrogen-bonded Turntrans-104.83.9179.9-61.2-178.6000112.8L287 M288 L316 T320L287-L318 CarbonylContact O-C 3.34Å; M288-L318 WeakPolarHBondContact CA-O 3.34Å; M288-L318 HydrophobicContact CG-CB 4.22Å; L316-L318 PolarHBondContact O-N 3.34Å; L316-L318 VanDerWaalsContact O-N 3.16Å; L318-T320 PolarHBondContact O-N 3.47Å
319L97.5Very high95.3Very high21 Ų2134.4 Ų34.411%0.1120%0.203CC..  trans-66.3118.1-176.8-16970.1000110.6L287 L290 L316 A321 L322 L367L287-L319 PolarHBondContact O-N 3.01Å; L290-L319 HydrophobicContact CB-CD1 3.76Å; L316-L319 HydrophobicContact CB-CB 3.83Å; L316-L319 HydrophobicContact CB-CD2 4.33Å; L316-L319 HydrophobicContact CD1-CD1 4.3Å; L316-L319 HydrophobicContact CD1-CD2 4.17Å; L316-L319 WeakPolarHBondContact O-CB 3.17Å; L316-L319 PolarHBondContact O-N 3.12Å; L319-A321 WeakPolarHBondContact CD1-O 3.49Å; L319-L322 HydrophobicContact CD2-CB 4.17Å; L319-L322 HydrophobicContact CD2-CD2 4.32Å; L319-L367 HydrophobicContact CD2-CD1 4.11Å; L319-L367 HydrophobicContact CG-CD1 3.9Å
320T95.9Very high94.9Very high55 Ų5535.7 Ų35.734%0.33722%0.219SC..  trans-115.5-21.4-179.252.70000112.4M288 L318 F368M288-T320 PolarHBondContact O-N 3.03Å; M288-T320 PolarHBondContact O-OG1 2.84Å; M288-T320 VanDerWaalsContact O-OG1 3.08Å; L318-T320 PolarHBondContact O-N 3.47Å; T320-F368 PolarHBondContact O-N 3.4Å
321A96.4Very high94.5Very high23 Ų2336.1 Ų36.119%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-136.2127.8176.400000110.4M288 H289 L290 L319M288-A321 PolarHBondContact O-N 3.36Å; H289-A321 WeakPolarHBondContact CA-O 3.09Å; H289-A321 HydrophobicContact CB-CB 4.43Å; L290-A321 PolarHBondContact N-O 2.91Å; L319-A321 WeakPolarHBondContact CD1-O 3.49Å
322L97.2Very high94Very high1 Ų137 Ų371%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-132.3113.7177.2177.359.8000109.4L290 L309 L319 I324 L367 F368 L369 V370L290-L322 HydrophobicContact CB-CD1 4.07Å; L290-L322 HydrophobicContact CD2-CD1 4.02Å; L290-L322 HydrophobicContact CG-CD1 4.1Å; L290-L322 WeakPolarHBondContact O-CA 3.36Å; L309-L322 HydrophobicContact CD1-CD2 3.79Å; L319-L322 HydrophobicContact CD2-CB 4.17Å; L319-L322 HydrophobicContact CD2-CD2 4.32Å; L322-I324 HydrophobicContact CD1-CG2 3.71Å; L322-I324 HydrophobicContact CD2-CG2 4.13Å; L322-I324 HydrophobicContact CG-CG2 3.75Å; L322-L367 HydrophobicContact CB-CD1 3.99Å; L322-L367 HydrophobicContact CB-CD2 4.46Å; L322-L367 HydrophobicContact CB-CG 4.46Å; L322-L367 HydrophobicContact CD2-CD2 4.47Å; L322-F368 PolarHBondContact N-O 2.82Å; L322-L369 HydrophobicContact CB-CD1 4.43Å; L322-L369 HydrophobicContact CD2-CD1 4.02Å; L322-L369 HydrophobicContact CG-CD1 4.33Å; L322-V370 PolarHBondContact O-N 3.24Å
323D96.5Very high93.5Very high38 Ų3838.6 Ų38.620%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-99.5117.1170-161.6-26.8000109.7L290 D291 L292 S325 V370L290-D323 PolarHBondContact O-N 3.12Å; D291-D323 HydrophobicContact CB-CB 4.23Å; L292-D323 PolarHBondContact N-O 3.21Å; D323-S325 WeakPolarHBondContact OD1-CB 3.23Å; D323-S325 PolarHBondContact OD1-N 2.75Å; D323-S325 PolarHBondContact OD1-OG 3.29Å; D323-V370 HydrophobicContact CB-CB 4.25Å
324I95.8Very high93.2Very high4 Ų439.1 Ų39.12%0.02126%0.259CS..  trans-127.420.417853.7165.6000110.3L292 L309 L322 G326 T327 L329 A330 L369 V370L292-I324 HydrophobicContact CB-CG2 4.48Å; L309-I324 HydrophobicContact CD1-CD1 4.2Å; L309-I324 HydrophobicContact CD2-CD1 4.47Å; L322-I324 HydrophobicContact CD1-CG2 3.71Å; L322-I324 HydrophobicContact CD2-CG2 4.13Å; L322-I324 HydrophobicContact CG-CG2 3.75Å; I324-G326 PolarHBondContact O-N 3.4Å; I324-T327 WeakPolarHBondContact O-CB 3.48Å; I324-T327 WeakPolarHBondContact O-CG2 3.41Å; I324-T327 PolarHBondContact O-N 2.82Å; I324-T327 VanDerWaalsContact O-N 3.14Å; I324-T327 PolarHBondContact O-OG1 2.87Å; I324-L329 HydrophobicContact CB-CB 4.48Å; I324-L329 HydrophobicContact CB-CD1 4.14Å; I324-L329 HydrophobicContact CD1-CB 4.05Å; I324-L329 HydrophobicContact CG2-CD1 3.59Å; I324-A330 HydrophobicContact CD1-CB 3.89Å; I324-L369 HydrophobicContact CD1-CD1 3.97Å; I324-L369 HydrophobicContact CD1-CG 4.45Å; I324-L369 HydrophobicContact CG1-CD1 4.3Å; I324-V370 PolarHBondContact N-O 3.37Å
325S93.4Very high92.8Very high26 Ų2642 Ų4218%0.18227%0.269CS..THydrogen-bonded Turntrans-57.9137.9179.659.30000111S293 Q294 D323 T327 V370S293-S325 CarbonylContact C-O 3.27Å; S293-S325 VanDerWaalsContact CA-O 3.26Å; S293-S325 WeakPolarHBondContact CA-O 3.47Å; S293-S325 VanDerWaalsContact CB-OG 3.22Å; S293-S325 WeakPolarHBondContact CB-OG 3.05Å; Q294-S325 PolarHBondContact N-O 2.61Å; D323-S325 WeakPolarHBondContact OD1-CB 3.23Å; D323-S325 PolarHBondContact OD1-N 2.75Å; D323-S325 PolarHBondContact OD1-OG 3.29Å; S325-T327 PolarHBondContact O-N 2.96Å; S325-V370 PolarHBondContact N-O 2.95Å
326G92.4Very high92.3Very high20 Ų2044.1 Ų44.121%0.20628%0.278CS..THydrogen-bonded Turntrans75.71.8-176.900000115.9Q294 I324Q294-G326 WeakPolarHBondContact O-CA 3.33Å; I324-G326 PolarHBondContact O-N 3.4Å
327T93Very high91.7Very high25 Ų2544 Ų4415%0.15328%0.277CS..SBendtrans-96.7166.617275.40000112.1L292 Q294 G300 F302 I324 S325 L329L292-T327 WeakPolarHBondContact O-CG2 3.48Å; Q294-T327 HydrophobicContact CG-CG2 3.99Å; G300-T327 VanDerWaalsContact O-CA 3.29Å; G300-T327 WeakPolarHBondContact O-CA 3.49Å; G300-T327 WeakPolarHBondContact O-CB 3.45Å; F302-T327 HydrophobicContact CE2-CG2 4.02Å; I324-T327 WeakPolarHBondContact O-CB 3.48Å; I324-T327 WeakPolarHBondContact O-CG2 3.41Å; I324-T327 PolarHBondContact O-N 2.82Å; I324-T327 VanDerWaalsContact O-N 3.14Å; I324-T327 PolarHBondContact O-OG1 2.87Å; S325-T327 PolarHBondContact O-N 2.96Å; T327-L329 VanDerWaalsContact C-N 3.34Å; T327-L329 WeakPolarHBondContact OG1-CB 3.38Å; T327-L329 PolarHBondContact OG1-N 3.36Å
328N93.3Very high91Very high37 Ų3745.5 Ų45.520%0.19827%0.272CS..SBendtrans-88.17.216973.8-22000113.5G300 F302 P305 A330 S331G300-N328 PolarHBondContact O-N 3.05Å; G300-N328 PolarHBondContact O-OD1 2.93Å; F302-N328 WeakPolarHBondContact CB-OD1 3.23Å; F302-N328 PolarHBondContact N-OD1 3.26Å; F302-N328 PolarHBondContact O-ND2 2.88Å; P305-N328 WeakPolarHBondContact CB-O 3.45Å; N328-A330 VanDerWaalsContact C-N 3.31Å; N328-A330 PolarHBondContact O-N 2.96Å; N328-S331 WeakPolarHBondContact O-CB 3.18Å; N328-S331 PolarHBondContact O-N 2.92Å; N328-S331 PolarHBondContact O-OG 3.37Å
329L93.1Very high90.2Very high1 Ų145.6 Ų45.61%0.00527%0.272CS..THydrogen-bonded Turntrans-61.1-35.7-174.5-70174000113.5L292 F302 P305 T308 L309 L312 I324 T327 S331L292-L329 HydrophobicContact CD1-CD1 4.22Å; F302-L329 HydrophobicContact CB-CD2 4.01Å; F302-L329 HydrophobicContact CD1-CD2 3.93Å; F302-L329 HydrophobicContact CD2-CD1 4.2Å; F302-L329 HydrophobicContact CD2-CD2 3.61Å; F302-L329 HydrophobicContact CD2-CG 3.64Å; F302-L329 HydrophobicContact CE1-CD2 4.36Å; F302-L329 HydrophobicContact CE2-CD1 3.82Å; F302-L329 HydrophobicContact CE2-CD2 4.05Å; F302-L329 HydrophobicContact CE2-CG 3.79Å; F302-L329 HydrophobicContact CG-CD2 3.55Å; F302-L329 HydrophobicContact CG-CG 4.14Å; F302-L329 HydrophobicContact CZ-CD1 4.07Å; F302-L329 HydrophobicContact CZ-CD2 4.41Å; F302-L329 HydrophobicContact CZ-CG 4.39Å; P305-L329 WeakPolarHBondContact O-CD2 3.4Å; T308-L329 HydrophobicContact CG2-CD2 3.58Å; L309-L329 HydrophobicContact CB-CB 4.39Å; L309-L329 WeakPolarHBondContact CD2-O 2.98Å; L312-L329 HydrophobicContact CD1-CD1 4.46Å; I324-L329 HydrophobicContact CB-CB 4.48Å; I324-L329 HydrophobicContact CB-CD1 4.14Å; I324-L329 HydrophobicContact CD1-CB 4.05Å; I324-L329 HydrophobicContact CG2-CD1 3.59Å; T327-L329 VanDerWaalsContact C-N 3.34Å; T327-L329 WeakPolarHBondContact OG1-CB 3.38Å; T327-L329 PolarHBondContact OG1-N 3.36Å; L329-S331 VanDerWaalsContact C-N 3.29Å
330A87.4Confident89.2Confident62 Ų6248.1 Ų48.151%0.51228%0.284SS..THydrogen-bonded Turntrans-89.914.2175.800000113.6I324 N328 T371I324-A330 HydrophobicContact CD1-CB 3.89Å; N328-A330 VanDerWaalsContact C-N 3.31Å; N328-A330 PolarHBondContact O-N 2.96Å; A330-T371 HydrophobicContact CB-CG2 4.08Å
331S85.3Confident87.9Confident57 Ų5747.2 Ų47.240%0.39928%0.275SS..SBendtrans-87.9178.3178.576.70000112.3N328 L329N328-S331 WeakPolarHBondContact O-CB 3.18Å; N328-S331 PolarHBondContact O-N 2.92Å; N328-S331 PolarHBondContact O-OG 3.37Å; L329-S331 VanDerWaalsContact C-N 3.29Å
332S83.4Confident86.4Confident99 Ų9950.7 Ų50.769%0.69229%0.29SS*.PPolyproline II helixtrans-62.7152.3172.6-62.10000111.3S334S332-S334 PolarHBondContact O-N 3.11Å
333P86.7Confident85Confident32 Ų3255.7 Ų55.721%0.20832%0.317CS..PPolyproline II helixtrans-53138.7176.9-17.322.4000112.6V306 D337 I355V306-P333 HydrophobicContact CG2-CB 4.04Å; V306-P333 HydrophobicContact CG2-CG 3.93Å; P333-D337 WeakPolarHBondContact CA-OD2 3.38Å; P333-D337 HydrophobicContact CB-CB 4.05Å; P333-I355 HydrophobicContact CB-CD1 4.07Å; P333-I355 HydrophobicContact CB-CG1 4.41Å; P333-I355 HydrophobicContact CG-CB 4.2Å; P333-I355 HydrophobicContact CG-CD1 3.55Å; P333-I355 HydrophobicContact CG-CG1 3.68Å; P333-I355 HydrophobicContact CG-CG2 3.44Å; P333-I355 VanDerWaalsContact CG-CG2 3.44Å
334S87.6Confident83.4Confident30 Ų3056.8 Ų56.821%0.2133%0.332CS..PPolyproline II helixtrans-78.6168171.879.20000111.2S303 S332 D336 D337 W338S303-S334 WeakPolarHBondContact O-CB 3.4Å; S303-S334 PolarHBondContact O-OG 3.39Å; S332-S334 PolarHBondContact O-N 3.11Å; S334-D336 PolarHBondContact O-N 3.37Å; S334-D336 PolarHBondContact OG-N 3.36Å; S334-D337 PolarHBondContact N-OD2 3.46Å; S334-D337 WeakPolarHBondContact O-CB 3.49Å; S334-D337 PolarHBondContact O-N 2.9Å; S334-D337 PolarHBondContact OG-N 3.46Å; S334-D337 VanDerWaalsContact OG-N 3.16Å; S334-D337 PolarHBondContact OG-OD2 3.41Å; S334-W338 PolarHBondContact O-N 3.37Å
335N86.7Confident81.3Confident133 Ų13360.3 Ų60.371%0.71135%0.347SS*.Hα-helixtrans-59.3-32170.7-73-24.5000112.2W338 L339N335-W338 PolarHBondContact O-N 2.83Å; N335-L339 WeakPolarHBondContact O-CG 3.21Å; N335-L339 PolarHBondContact O-N 2.83Å
336D85.9Confident79.2Confident77 Ų7766.8 Ų66.841%0.41237%0.374SS..Hα-helixtrans-72.1-35179.7-63.8-25.2000111.4R304 S334 W338 L339 E340R304-D336 HydrophobicContact CG-CB 3.72Å; S334-D336 PolarHBondContact O-N 3.37Å; S334-D336 PolarHBondContact OG-N 3.36Å; D336-W338 VanDerWaalsContact C-N 3.3Å; D336-W338 PolarHBondContact O-N 3.49Å; D336-L339 PolarHBondContact O-N 2.72Å; D336-E340 PolarHBondContact O-N 2.91Å
337D85.1Confident77.1Confident0 Ų074.2 Ų74.20%040%0.403CS..Hα-helixtrans-56.4-48.8170.4-69.8-54.3000109.7R304 P305 V306 I307 P333 S334 L339 E340 F341R304-D337 VanDerWaalsContact CA-OD1 3.22Å; R304-D337 WeakPolarHBondContact CA-OD1 3.33Å; R304-D337 WeakPolarHBondContact CB-OD1 3.22Å; P305-D337 WeakPolarHBondContact CD-OD2 3.38Å; V306-D337 PolarHBondContact N-OD1 3.25Å; V306-D337 PolarHBondContact N-OD2 2.63Å; I307-D337 WeakPolarHBondContact CB-OD1 3.29Å; I307-D337 HydrophobicContact CD1-CB 4.23Å; I307-D337 HydrophobicContact CG1-CB 4.37Å; I307-D337 VanDerWaalsContact CG1-OD1 3.29Å; I307-D337 WeakPolarHBondContact CG1-OD1 3.49Å; I307-D337 PolarHBondContact N-OD1 2.71Å; P333-D337 WeakPolarHBondContact CA-OD2 3.38Å; P333-D337 HydrophobicContact CB-CB 4.05Å; S334-D337 PolarHBondContact N-OD2 3.46Å; S334-D337 WeakPolarHBondContact O-CB 3.49Å; S334-D337 PolarHBondContact O-N 2.9Å; S334-D337 PolarHBondContact OG-N 3.46Å; S334-D337 VanDerWaalsContact OG-N 3.16Å; S334-D337 PolarHBondContact OG-OD2 3.41Å; D337-L339 PolarHBondContact O-N 3.44Å; D337-E340 PolarHBondContact O-N 2.94Å; D337-F341 WeakPolarHBondContact O-CD2 3.47Å; D337-F341 PolarHBondContact O-N 3.07Å
338W81.6Confident74.5Confident118 Ų11875.7 Ų75.745%0.44742%0.415SS..Hα-helixtrans-62.7-39.1-179.8-70.4111.3000113.9S334 N335 D336 F341 N342 I355S334-W338 PolarHBondContact O-N 3.37Å; N335-W338 PolarHBondContact O-N 2.83Å; D336-W338 VanDerWaalsContact C-N 3.3Å; D336-W338 PolarHBondContact O-N 3.49Å; W338-F341 PolarHBondContact O-N 3.41Å; W338-N342 WeakPolarHBondContact O-CB 3.26Å; W338-N342 PolarHBondContact O-N 3.49Å; W338-N342 PolarHBondContact O-ND2 2.93Å; W338-N342 VanDerWaalsContact O-ND2 3.15Å; W338-I355 HydrophobicContact CD2-CD1 4.01Å; W338-I355 HydrophobicContact CE3-CD1 3.84Å; W338-I355 HydrophobicContact CH2-CD1 3.02Å; W338-I355 HydrophobicContact CH2-CG1 4.47Å; W338-I355 HydrophobicContact CZ2-CD1 3.15Å; W338-I355 HydrophobicContact CZ3-CD1 3.36Å
339L79.3Confident71.7Confident98 Ų9885.4 Ų85.451%0.51345%0.448SS..Hα-helixtrans-65.3-41.6179.2-74171.2000111.6N335 D336 D337 N342 N343N335-L339 WeakPolarHBondContact O-CG 3.21Å; N335-L339 PolarHBondContact O-N 2.83Å; D336-L339 PolarHBondContact O-N 2.72Å; D337-L339 PolarHBondContact O-N 3.44Å; L339-N342 PolarHBondContact O-N 3.48Å; L339-N343 WeakPolarHBondContact O-CB 3.21Å; L339-N343 PolarHBondContact O-N 3.4Å; L339-N343 PolarHBondContact O-ND2 2.9Å
340E76.4Confident68.9Low75 Ų7590.4 Ų90.435%0.3548%0.483SS..Hα-helixtrans-69-41.3177-172.7167.9-160.100111.9R304 I307 D336 D337 N342 N343 A344R304-E340 WeakPolarHBondContact CD-OE2 3.12Å; R304-E340 IonicContact CZ-OE2 3.32Å; R304-E340 IonicContact NE-OE2 3.71Å; R304-E340 IonicContact NH1-OE1 3.08Å; R304-E340 PolarHBondContact NH1-OE1 3.19Å; R304-E340 VanDerWaalsContact NH1-OE1 3.08Å; R304-E340 IonicContact NH1-OE2 2.66Å; R304-E340 PolarHBondContact NH1-OE2 2.65Å; I307-E340 HydrophobicContact CD1-CB 3.82Å; I307-E340 HydrophobicContact CD1-CG 4.08Å; I307-E340 WeakPolarHBondContact CD1-OE2 3.24Å; D336-E340 PolarHBondContact O-N 2.91Å; D337-E340 PolarHBondContact O-N 2.94Å; E340-N342 PolarHBondContact O-N 3.14Å; E340-N343 PolarHBondContact O-N 2.75Å; E340-A344 WeakPolarHBondContact O-CB 3.08Å; E340-A344 PolarHBondContact O-N 3.16Å
341F68.6Low66.4Low36 Ų3695 Ų9516%0.15850%0.496CS..Hα-helixtrans-57-48.8170.9-83.6-65.9000111.1I307 D337 W338 N343 A344 F345 P354I307-F341 HydrophobicContact CD1-CD2 4.23Å; I307-F341 HydrophobicContact CD1-CE2 4.04Å; I307-F341 HydrophobicContact CG1-CD2 4.44Å; I307-F341 HydrophobicContact CG1-CE2 3.76Å; I307-F341 HydrophobicContact CG1-CZ 4.18Å; D337-F341 WeakPolarHBondContact O-CD2 3.47Å; D337-F341 PolarHBondContact O-N 3.07Å; W338-F341 PolarHBondContact O-N 3.41Å; F341-N343 VanDerWaalsContact C-N 3.33Å; F341-N343 PolarHBondContact O-N 3.43Å; F341-A344 PolarHBondContact O-N 3.2Å; F341-F345 HydrophobicContact CD1-CD2 4.32Å; F341-F345 AromaticContact CD1-CE2 4Å; F341-F345 HydrophobicContact CD1-CE2 4Å; F341-F345 WeakPolarHBondContact O-CB 3.42Å; F341-F345 VanDerWaalsContact O-CD2 3.25Å; F341-F345 WeakPolarHBondContact O-CD2 3.37Å; F341-F345 PolarHBondContact O-N 3.32Å; F341-P354 HydrophobicContact CD1-CB 4.05Å; F341-P354 HydrophobicContact CD1-CG 4.21Å; F341-P354 HydrophobicContact CE1-CB 3.68Å; F341-P354 HydrophobicContact CE1-CG 4.34Å; F341-P354 HydrophobicContact CZ-CB 4.18Å
342N65.6Low64.3Low95 Ų95101.7 Ų101.751%0.50852%0.521SS..Hα-helixtrans-62.5-38.6179.3-72-30.1000112.5W338 L339 E340 F345 E346W338-N342 WeakPolarHBondContact O-CB 3.26Å; W338-N342 PolarHBondContact O-N 3.49Å; W338-N342 PolarHBondContact O-ND2 2.93Å; W338-N342 VanDerWaalsContact O-ND2 3.15Å; L339-N342 PolarHBondContact O-N 3.48Å; E340-N342 PolarHBondContact O-N 3.14Å; N342-F345 CarbonylContact O-C 3.57Å; N342-F345 PolarHBondContact O-N 3.34Å; N342-E346 PolarHBondContact O-N 3.02Å
343N68.2Low62.3Low107 Ų107103.9 Ų103.957%0.57252%0.521SS*.Hα-helixtrans-68-38.8176.2-70.6-24.4000112.5L339 E340 F341 F345L339-N343 WeakPolarHBondContact O-CB 3.21Å; L339-N343 PolarHBondContact O-N 3.4Å; L339-N343 PolarHBondContact O-ND2 2.9Å; E340-N343 PolarHBondContact O-N 2.75Å; F341-N343 VanDerWaalsContact C-N 3.33Å; F341-N343 PolarHBondContact O-N 3.43Å; N343-F345 VanDerWaalsContact C-N 3.33Å
344A62.8Low60Low61 Ų61103.6 Ų103.650%0.50452%0.519SS..Hα-helixtrans-65.5-37.7174.100000111.5E340 F341E340-A344 WeakPolarHBondContact O-CB 3.08Å; E340-A344 PolarHBondContact O-N 3.16Å; F341-A344 PolarHBondContact O-N 3.2Å
345F52.2Low57.6Low77 Ų77103.8 Ų103.834%0.33852%0.517SS..Hα-helixtrans-91.8-10-176.3-80.5-85.6000115.2F341 N342 N343 H347 S348 P354F341-F345 HydrophobicContact CD1-CD2 4.32Å; F341-F345 AromaticContact CD1-CE2 4Å; F341-F345 HydrophobicContact CD1-CE2 4Å; F341-F345 WeakPolarHBondContact O-CB 3.42Å; F341-F345 VanDerWaalsContact O-CD2 3.25Å; F341-F345 WeakPolarHBondContact O-CD2 3.37Å; F341-F345 PolarHBondContact O-N 3.32Å; N342-F345 CarbonylContact O-C 3.57Å; N342-F345 PolarHBondContact O-N 3.34Å; N343-F345 VanDerWaalsContact C-N 3.33Å; F345-H347 PolarHBondContact O-N 3.45Å; F345-H347 VanDerWaalsContact O-N 3.12Å; F345-S348 WeakPolarHBondContact CD1-OG 3.4Å; F345-S348 CarbonylContact O-C 3.18Å; F345-S348 PolarHBondContact O-N 3.37Å; F345-P354 HydrophobicContact CE2-CG 4.2Å; F345-P354 HydrophobicContact CZ-CG 4.43Å
346E49.2Very low55.2Low162 Ų162102.9 Ų102.976%0.75751%0.508SS*.THydrogen-bonded Turntrans-60.6-18.4164.8-86.1-164.4164.700111.9N342N342-E346 PolarHBondContact O-N 3.02Å
347H47.7Very low52.8Low177 Ų177102 Ų10282%0.81951%0.512SS*.THydrogen-bonded Turntrans-93.5-1.6170.7-70.177.9000114.5F345F345-H347 PolarHBondContact O-N 3.45Å; F345-H347 VanDerWaalsContact O-N 3.12Å
348S39.2Very low50.6Low56 Ų56103.4 Ų103.439%0.39252%0.521SS..SBendtrans-146.393.7176.950.10000111.1F345 S350F345-S348 WeakPolarHBondContact CD1-OG 3.4Å; F345-S348 CarbonylContact O-C 3.18Å; F345-S348 PolarHBondContact O-N 3.37Å; S348-S350 PolarHBondContact O-N 3.42Å
349R33.4Very low48.5Very low241 Ų241104.4 Ų104.491%0.90953%0.533SS*.  trans-54.7132173.9-71.8-179.9176.6-176.4-1.5110.7
350S35.2Very low46.5Very low106 Ų106107.2 Ų107.274%0.74154%0.541SS*.  trans80.3103.3173.8800000116.2S348S348-S350 PolarHBondContact O-N 3.42Å
351M35Very low44.7Very low157 Ų157105.1 Ų105.177%0.77353%0.534SS*.  177.7130.9117.2-92.9-164.2170.500110.3
352Q41.1Very low43.3Very low198 Ų198108.5 Ų108.593%0.92556%0.562SS**SBendtrans-95.717.3-171.1-130.3162-11.600113.1
353E41.7Very low42.2Very low146 Ų146109.8 Ų109.868%0.68257%0.569SS**  trans-124.741.6-177.4-65.9-164.8157.700117.5
354P36.6Very low41.2Very low26 Ų26107.7 Ų107.717%0.16956%0.557CS.*Hα-helixtrans-76.4-29.8176.4-12.228.4000114.5F341 F345 Q356 A357 C358F341-P354 HydrophobicContact CD1-CB 4.05Å; F341-P354 HydrophobicContact CD1-CG 4.21Å; F341-P354 HydrophobicContact CE1-CB 3.68Å; F341-P354 HydrophobicContact CE1-CG 4.34Å; F341-P354 HydrophobicContact CZ-CB 4.18Å; F345-P354 HydrophobicContact CE2-CG 4.2Å; F345-P354 HydrophobicContact CZ-CG 4.43Å; P354-Q356 PolarHBondContact O-N 2.66Å; P354-A357 PolarHBondContact O-N 3.26Å; P354-A357 VanDerWaalsContact O-N 3.14Å; P354-C358 PolarHBondContact O-N 3.3Å
355I38.6Very low40.6Very low34 Ų34109.9 Ų109.917%0.17457%0.569CS.*Hα-helixtrans-73.9-29.1-169.3-74.7149.7000112.7P333 W338P333-I355 HydrophobicContact CB-CD1 4.07Å; P333-I355 HydrophobicContact CB-CG1 4.41Å; P333-I355 HydrophobicContact CG-CB 4.2Å; P333-I355 HydrophobicContact CG-CD1 3.55Å; P333-I355 HydrophobicContact CG-CG1 3.68Å; P333-I355 HydrophobicContact CG-CG2 3.44Å; P333-I355 VanDerWaalsContact CG-CG2 3.44Å; W338-I355 HydrophobicContact CD2-CD1 4.01Å; W338-I355 HydrophobicContact CE3-CD1 3.84Å; W338-I355 HydrophobicContact CH2-CD1 3.02Å; W338-I355 HydrophobicContact CH2-CG1 4.47Å; W338-I355 HydrophobicContact CZ2-CD1 3.15Å; W338-I355 HydrophobicContact CZ3-CD1 3.36Å
356Q36.1Very low40.7Very low114 Ų114113.2 Ų113.253%0.53359%0.59SS.*Hα-helixtrans-74.8-33.9169.7-76.6-171.8-38.100111.7P354 C358 M359 F360P354-Q356 PolarHBondContact O-N 2.66Å; Q356-C358 VanDerWaalsContact C-N 3.34Å; Q356-C358 PolarHBondContact O-N 3.08Å; Q356-M359 PolarHBondContact O-N 3.07Å; Q356-M359 VanDerWaalsContact O-N 3.11Å; Q356-F360 VanDerWaalsContact O-CD2 3.26Å; Q356-F360 WeakPolarHBondContact O-CD2 3.25Å; Q356-F360 PolarHBondContact O-N 3.36Å
357A35.5Very low41.2Very low59 Ų59106.5 Ų106.549%0.48856%0.56SS.*Hα-helixtrans-64.3-34.7-179.800000113.2P354 M359 F360 C361P354-A357 PolarHBondContact O-N 3.26Å; P354-A357 VanDerWaalsContact O-N 3.14Å; A357-M359 VanDerWaalsContact C-N 3.28Å; A357-M359 PolarHBondContact O-N 3.17Å; A357-F360 CarbonylContact O-C 3.45Å; A357-F360 WeakPolarHBondContact O-CA 3.22Å; A357-F360 PolarHBondContact O-N 3.15Å; A357-C361 PolarHBondContact O-N 2.89Å
358C39.4Very low42.3Very low28 Ų28105 Ų10519%0.18955%0.551CS.*Hα-helixtrans-64.5-30.4174-680000112.6V306 D310 P354 Q356 F360V306-C358 HydrophobicContact CG1-CB 4.33Å; D310-C358 HydrophobicContact CB-CB 4.37Å; P354-C358 PolarHBondContact O-N 3.3Å; Q356-C358 VanDerWaalsContact C-N 3.34Å; Q356-C358 PolarHBondContact O-N 3.08Å; C358-F360 VanDerWaalsContact C-N 3.28Å
359M36.9Very low43.6Very low140 Ų140105.7 Ų105.769%0.6955%0.55SS*.Hα-helixtrans-75.4-17.6171-73.1-161.6-72.100113Q356 A357Q356-M359 PolarHBondContact O-N 3.07Å; Q356-M359 VanDerWaalsContact O-N 3.11Å; A357-M359 VanDerWaalsContact C-N 3.28Å; A357-M359 PolarHBondContact O-N 3.17Å
360F37.2Very low45.4Very low157 Ų15796.4 Ų96.469%0.68952%0.52SS*.THydrogen-bonded Turntrans-101.717.7-178.9-82.9-72.7000113.7Q356 A357 C358 S362Q356-F360 VanDerWaalsContact O-CD2 3.26Å; Q356-F360 WeakPolarHBondContact O-CD2 3.25Å; Q356-F360 PolarHBondContact O-N 3.36Å; A357-F360 CarbonylContact O-C 3.45Å; A357-F360 WeakPolarHBondContact O-CA 3.22Å; A357-F360 PolarHBondContact O-N 3.15Å; C358-F360 VanDerWaalsContact C-N 3.28Å; F360-S362 PolarHBondContact O-N 3.49Å
361C37.9Very low47Very low30 Ų3095.3 Ų95.320%0.20351%0.509CS..  trans-52.9112.1170.3-82.50000109.8V313 C314 A357 N363 I364V313-C361 HydrophobicContact CG1-CB 4.29Å; C314-C361 VanDerWaalsContact SG-SG 3.68Å; A357-C361 PolarHBondContact O-N 2.89Å; C361-N363 PolarHBondContact O-N 3.47Å; C361-I364 HydrophobicContact CB-CD1 3.93Å; C361-I364 HydrophobicContact CB-CG1 4.17Å; C361-I364 WeakPolarHBondContact O-CB 3.36Å; C361-I364 WeakPolarHBondContact O-CG1 3.45Å; C361-I364 PolarHBondContact O-N 3.39Å
362S39.8Very low47.8Very low108 Ų10889.3 Ų89.376%0.75549%0.487SS*.THydrogen-bonded Turntrans-59-9-175.1-48.30000114.4F360F360-S362 PolarHBondContact O-N 3.49Å
363N42.4Very low47.9Very low121 Ų12185.7 Ų85.765%0.64748%0.48SS*.THydrogen-bonded Turntrans-85.3-6175.2-80.3-8.3000114.1C361 S365C361-N363 PolarHBondContact O-N 3.47Å; N363-S365 VanDerWaalsContact C-N 3.27Å; N363-S365 PolarHBondContact O-N 2.87Å
364I47.2Very low47.8Very low63 Ų6386 Ų8632%0.32350%0.499SS..G310 helixtrans-75.6-13.2-176.4-65170.6000112.6V313 C361 D366 L367V313-I364 HydrophobicContact CG1-CG1 4.12Å; C361-I364 HydrophobicContact CB-CD1 3.93Å; C361-I364 HydrophobicContact CB-CG1 4.17Å; C361-I364 WeakPolarHBondContact O-CB 3.36Å; C361-I364 WeakPolarHBondContact O-CG1 3.45Å; C361-I364 PolarHBondContact O-N 3.39Å; I364-D366 PolarHBondContact O-N 3.28Å; I364-L367 PolarHBondContact O-N 3.35Å
365S51Low48.4Very low108 Ų10889.1 Ų89.176%0.75552%0.516SS*.G310 helixtrans-53.5-33.9-173.9-43.90000114.1N363N363-S365 VanDerWaalsContact C-N 3.27Å; N363-S365 PolarHBondContact O-N 2.87Å
366D54.5Low48.9Very low146 Ų14691.9 Ų91.978%0.78153%0.534SS*.G310 helixtrans-108.31.2-177.9-64-31.6000113.3I364 F368I364-D366 PolarHBondContact O-N 3.28Å; D366-F368 PolarHBondContact O-N 3.22Å
367L58.6Low49.6Very low22 Ų2290.7 Ų90.712%0.11553%0.534CS..  trans-80.9111.3-177.8-17663.3000110V313 L319 L322 I364 L369V313-L367 HydrophobicContact CG2-CD2 4.12Å; L319-L367 HydrophobicContact CD2-CD1 4.11Å; L319-L367 HydrophobicContact CG-CD1 3.9Å; L322-L367 HydrophobicContact CB-CD1 3.99Å; L322-L367 HydrophobicContact CB-CD2 4.46Å; L322-L367 HydrophobicContact CB-CG 4.46Å; L322-L367 HydrophobicContact CD2-CD2 4.47Å; I364-L367 PolarHBondContact O-N 3.35Å; L367-L369 HydrophobicContact CD2-CD1 4.45Å; L367-L369 PolarHBondContact O-N 2.89Å
368F70.4Confident50.4Low146 Ų14692.6 Ų92.664%0.6454%0.536SS*.EExtended strand (participates in β ladder)trans-73.598168.9-171.2-103.3000109.2T320 L322 D366 V370T320-F368 PolarHBondContact O-N 3.4Å; L322-F368 PolarHBondContact N-O 2.82Å; D366-F368 PolarHBondContact O-N 3.22Å; F368-V370 HydrophobicContact CD1-CG2 3.76Å; F368-V370 HydrophobicContact CE1-CG2 3.3Å; F368-V370 HydrophobicContact CZ-CG2 4.19Å
369L68.2Low51.1Low70 Ų7096.6 Ų96.637%0.36656%0.558SS.*EExtended strand (participates in β ladder)trans-90.2117.8176.1-165.790.8000109.5L322 I324 L367 T371L322-L369 HydrophobicContact CB-CD1 4.43Å; L322-L369 HydrophobicContact CD2-CD1 4.02Å; L322-L369 HydrophobicContact CG-CD1 4.33Å; I324-L369 HydrophobicContact CD1-CD1 3.97Å; I324-L369 HydrophobicContact CD1-CG 4.45Å; I324-L369 HydrophobicContact CG1-CD1 4.3Å; L367-L369 HydrophobicContact CD2-CD1 4.45Å; L367-L369 PolarHBondContact O-N 2.89Å; L369-T371 HydrophobicContact CD2-CG2 3.44Å; L369-T371 VanDerWaalsContact CD2-CG2 3.44Å; L369-T371 HydrophobicContact CG-CG2 4.05Å
370V69.3Low52.1Low46 Ų4693.7 Ų93.728%0.27955%0.549SS..EExtended strand (participates in β ladder)trans-92.6110.9168.7-177.40000108.7L322 D323 I324 S325 F368L322-V370 PolarHBondContact O-N 3.24Å; D323-V370 HydrophobicContact CB-CB 4.25Å; I324-V370 PolarHBondContact N-O 3.37Å; S325-V370 PolarHBondContact N-O 2.95Å; F368-V370 HydrophobicContact CD1-CG2 3.76Å; F368-V370 HydrophobicContact CE1-CG2 3.3Å; F368-V370 HydrophobicContact CZ-CG2 4.19Å
371T69.2Low53.1Low83 Ų8389.2 Ų89.251%0.50954%0.539SS..  trans-109118.5167.253.70000108.3A330 L369A330-T371 HydrophobicContact CB-CG2 4.08Å; L369-T371 HydrophobicContact CD2-CG2 3.44Å; L369-T371 VanDerWaalsContact CD2-CG2 3.44Å; L369-T371 HydrophobicContact CG-CG2 4.05Å
372G52.5Low54.3Low30 Ų3093.8 Ų93.831%0.30957%0.565SS.*  trans-66.3167171.200000111.3S374G372-S374 PolarHBondContact O-N 3.33Å
373P43.4Very low55.5Low122 Ų12292.6 Ų92.679%0.79255%0.55SS*.  trans-57133.5178.822.3-31.3000111.2R297R297-P373 PolarHBondContact NH2-O 2.9Å
374S39.3Very low56.7Low154 Ų15490 Ų90100%1.07754%0.541SS*.  trans-69.40179.960.10000113.8R297 G372R297-S374 PolarHBondContact NH1-OXT 3.12Å; R297-S374 PolarHBondContact NH2-OXT 3.14Å; G372-S374 PolarHBondContact O-N 3.33Å

Retrieved 374 of 374 residues in 1135.2 ms (Link to these results)

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