A0A3Q0KKT5_SCHMA Loading...

UBR-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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
1M33.7Very low46.2Very low236 Ų236145 Ų145100%1.16380%0.795SS**  0107.20-61.9-176.285.900106.9
2P39.8Very low48.1Very low116 Ų116139.4 Ų139.475%0.75377%0.768SS**  trans-78.7129.6144.414.73.7000107.1D4P2-D4 PolarHBondContact O-N 3.21Å
3S40.2Very low50.3Low113 Ų113139.3 Ų139.379%0.7976%0.755SS**  trans-69.5109.5163.247.40000106.5S5S3-S5 PolarHBondContact O-N 3.2Å
4D42.1Very low52Low149 Ų149137.6 Ų137.680%0.79774%0.744SS**  trans-58.2110.1161.1-70.3-35.2000105.7P2 E6P2-D4 PolarHBondContact O-N 3.21Å; D4-E6 VanDerWaalsContact C-N 3.27Å; D4-E6 PolarHBondContact O-N 3.12Å
5S43.7Very low53.4Low104 Ų104137.7 Ų137.773%0.72774%0.737SS**  trans-62.4100162.246.20000105.3S3 E7S3-S5 PolarHBondContact O-N 3.2Å; S5-E7 VanDerWaalsContact C-N 3.28Å; S5-E7 PolarHBondContact O-N 3.47Å
6E42.8Very low54.9Low178 Ų178133.6 Ų133.683%0.83272%0.715SS**  trans-54.8102163.1-69.3177.2170.800105.4D4 E8D4-E6 VanDerWaalsContact C-N 3.27Å; D4-E6 PolarHBondContact O-N 3.12Å; E6-E8 PolarHBondContact O-N 3.05Å
7E45.7Very low56.2Low168 Ų168129 Ų12979%0.78569%0.693SS**  trans-52.3111.3160.2-75175.3173.900104.4S5 D9S5-E7 VanDerWaalsContact C-N 3.28Å; S5-E7 PolarHBondContact O-N 3.47Å; E7-D9 PolarHBondContact O-N 2.99Å
8E45.6Very low57.4Low185 Ų185127.2 Ų127.286%0.86468%0.683SS**  trans-61.395.5171.6-80.8-175.6159.400106E6 T10E6-E8 PolarHBondContact O-N 3.05Å; E8-T10 PolarHBondContact O-N 2.95Å
9D52.9Low58.6Low103 Ų103126.3 Ų126.355%0.55167%0.674SS**  trans-50.8109.8175.5-83.3-29.8000107.8E7 V11 I371E7-D9 PolarHBondContact O-N 2.99Å; D9-V11 PolarHBondContact O-N 3.14Å; D9-I371 HydrophobicContact CB-CD1 4.32Å
10T59.3Low59.7Low130 Ų130125.2 Ų125.280%0.79866%0.664SS**  trans-61.5108.4-179.1-16.60000107.9E8 V12E8-T10 PolarHBondContact O-N 2.95Å; T10-V12 PolarHBondContact O-N 3.21Å
11V63Low60.8Low113 Ų113123 Ų12369%0.68565%0.652SS**  trans-73102.8179.1-179.20000108.8D9 I371D9-V11 PolarHBondContact O-N 3.14Å; V11-I371 HydrophobicContact CG2-CD1 3.64Å; V11-I371 HydrophobicContact CG2-CG1 4.19Å
12V68Low63.3Low78 Ų78115.4 Ų115.447%0.47362%0.616SS.*  trans-97.2136174.1-169.30000110T10 N16 V17T10-V12 PolarHBondContact O-N 3.21Å; V12-N16 HydrophobicContact CG1-CB 4.03Å; V12-V17 HydrophobicContact CB-CG2 4.33Å; V12-V17 HydrophobicContact CG1-CG2 3.68Å
13K76.7Confident65.5Low138 Ų138113.3 Ų113.360%0.660%0.596SS**  trans-74.5138172.8-66-177.8-178.2174.70109.5E15 N16 V17K13-E15 PolarHBondContact O-N 3.48Å; K13-E15 VanDerWaalsContact O-N 3.11Å; K13-N16 WeakPolarHBondContact O-CB 3.27Å; K13-N16 PolarHBondContact O-N 3.46Å; K13-V17 PolarHBondContact O-N 3.48Å
14I74.7Confident67.8Low116 Ų116113.5 Ų113.560%0.59559%0.585SS**Hα-helixtrans-54.6-32.3175.4-168166.5000113N16 V17 L18I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.79Å; I14-V17 PolarHBondContact O-N 3.03Å; I14-L18 HydrophobicContact CG1-CD1 4.38Å; I14-L18 HydrophobicContact CG1-CG 4.41Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.17Å; I14-L18 PolarHBondContact O-N 3.1Å
15E73.3Confident70Confident139 Ų139108.1 Ų108.165%0.6556%0.556SS**Hα-helixtrans-62.1-39.1175.9-66.9169.3-177.100112K13 Q19K13-E15 PolarHBondContact O-N 3.48Å; K13-E15 VanDerWaalsContact O-N 3.11Å; E15-Q19 WeakPolarHBondContact O-CB 3.47Å; E15-Q19 PolarHBondContact O-N 3.13Å
16N76.5Confident72.3Confident71 Ų71105.4 Ų105.438%0.3853%0.53SS..Hα-helixtrans-68.9-43.7176.8-61.67.2000110.3V12 K13 I14 L18 Q19 E20V12-N16 HydrophobicContact CG1-CB 4.03Å; K13-N16 WeakPolarHBondContact O-CB 3.27Å; K13-N16 PolarHBondContact O-N 3.46Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.79Å; N16-L18 VanDerWaalsContact C-N 3.32Å; N16-L18 PolarHBondContact O-N 3.26Å; N16-Q19 WeakPolarHBondContact O-CB 3.27Å; N16-Q19 PolarHBondContact O-N 2.92Å; N16-Q19 VanDerWaalsContact O-N 3.14Å; N16-E20 WeakPolarHBondContact O-CG 3.36Å; N16-E20 PolarHBondContact O-N 3.47Å
17V77Confident74.6Confident56 Ų5697.9 Ų97.934%0.33950%0.495SS..Hα-helixtrans-60.3-42.7176.8-179.60000111.3V12 K13 I14 Q19 E20 I21V12-V17 HydrophobicContact CB-CG2 4.33Å; V12-V17 HydrophobicContact CG1-CG2 3.68Å; K13-V17 PolarHBondContact O-N 3.48Å; I14-V17 PolarHBondContact O-N 3.03Å; V17-Q19 VanDerWaalsContact C-N 3.33Å; V17-E20 PolarHBondContact O-N 2.9Å; V17-I21 HydrophobicContact CG1-CD1 3.95Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.46Å; V17-I21 PolarHBondContact O-N 2.79Å
18L78.2Confident76.7Confident97 Ų9790.4 Ų90.451%0.50846%0.461SS..Hα-helixtrans-65.7-38.2177-71.7174.4000111.9I14 N16 D22I14-L18 HydrophobicContact CG1-CD1 4.38Å; I14-L18 HydrophobicContact CG1-CG 4.41Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.17Å; I14-L18 PolarHBondContact O-N 3.1Å; N16-L18 VanDerWaalsContact C-N 3.32Å; N16-L18 PolarHBondContact O-N 3.26Å; L18-D22 WeakPolarHBondContact O-CB 3.37Å; L18-D22 PolarHBondContact O-N 3.36Å
19Q79.6Confident78.8Confident109 Ų10981.6 Ų81.651%0.50942%0.42SS..Hα-helixtrans-65.5-43.1176-177.2179.6-18.200111.6E15 N16 V17 D22 E23E15-Q19 WeakPolarHBondContact O-CB 3.47Å; E15-Q19 PolarHBondContact O-N 3.13Å; N16-Q19 WeakPolarHBondContact O-CB 3.27Å; N16-Q19 PolarHBondContact O-N 2.92Å; N16-Q19 VanDerWaalsContact O-N 3.14Å; V17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-D22 PolarHBondContact O-N 3.01Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.23Å; Q19-E23 PolarHBondContact NE2-OE1 3.28Å; Q19-E23 WeakPolarHBondContact O-CB 3.34Å; Q19-E23 WeakPolarHBondContact O-CG 3.31Å; Q19-E23 PolarHBondContact O-N 3.19Å
20E81.9Confident80.4Confident105 Ų10576.8 Ų76.849%0.49139%0.394SS..Hα-helixtrans-60.9-46.8176.1-73.2165.5-167.800111.4N16 V17 D22 E23 E24N16-E20 WeakPolarHBondContact O-CG 3.36Å; N16-E20 PolarHBondContact O-N 3.47Å; V17-E20 PolarHBondContact O-N 2.9Å; E20-D22 VanDerWaalsContact C-N 3.34Å; E20-D22 PolarHBondContact O-N 2.94Å; E20-E23 PolarHBondContact O-N 3.11Å; E20-E23 VanDerWaalsContact O-N 3.17Å; E20-E24 WeakPolarHBondContact O-CG 3.44Å; E20-E24 PolarHBondContact O-N 2.79Å
21I82.2Confident81.6Confident80 Ų8070.9 Ų70.941%0.4136%0.36SS..Hα-helixtrans-59.4-45.2175.6-68.9166.3000111V17 E23 E24 D25V17-I21 HydrophobicContact CG1-CD1 3.95Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.46Å; V17-I21 PolarHBondContact O-N 2.79Å; I21-E23 VanDerWaalsContact C-N 3.33Å; I21-E23 PolarHBondContact O-N 3.44Å; I21-E24 PolarHBondContact O-N 3.36Å; I21-D25 WeakPolarHBondContact O-CB 3.34Å; I21-D25 PolarHBondContact O-N 3.07Å
22D85.3Confident82.8Confident75 Ų7565.7 Ų65.740%0.40133%0.328SS..Hα-helixtrans-60.4-44176.9-85.9-19.3000110.7L18 Q19 E20 D25 W26L18-D22 WeakPolarHBondContact O-CB 3.37Å; L18-D22 PolarHBondContact O-N 3.36Å; Q19-D22 PolarHBondContact O-N 3.01Å; E20-D22 VanDerWaalsContact C-N 3.34Å; E20-D22 PolarHBondContact O-N 2.94Å; D22-D25 PolarHBondContact O-N 2.84Å; D22-W26 HydrophobicContact CB-CZ2 3.79Å; D22-W26 PolarHBondContact O-N 2.88Å; D22-W26 PolarHBondContact O-NE1 3.25Å
23E87.3Confident83.4Confident72 Ų7266.1 Ų66.134%0.33633%0.328SS..Hα-helixtrans-65-43.2178.9-75177.6-160.800112.6Q19 E20 I21 D25 W26 I27Q19-E23 WeakPolarHBondContact CG-OE1 3.23Å; Q19-E23 PolarHBondContact NE2-OE1 3.28Å; Q19-E23 WeakPolarHBondContact O-CB 3.34Å; Q19-E23 WeakPolarHBondContact O-CG 3.31Å; Q19-E23 PolarHBondContact O-N 3.19Å; E20-E23 PolarHBondContact O-N 3.11Å; E20-E23 VanDerWaalsContact O-N 3.17Å; I21-E23 VanDerWaalsContact C-N 3.33Å; I21-E23 PolarHBondContact O-N 3.44Å; E23-D25 VanDerWaalsContact C-N 3.35Å; E23-D25 PolarHBondContact O-N 2Å; E23-W26 HydrophobicContact CG-CE3 4.12Å; E23-W26 HydrophobicContact CG-CZ3 3.95Å; E23-W26 PolarHBondContact O-N 3.49Å; E23-W26 VanDerWaalsContact O-N 3.11Å; E23-I27 WeakPolarHBondContact O-CD1 3.46Å; E23-I27 VanDerWaalsContact O-CG1 3.27Å; E23-I27 WeakPolarHBondContact O-CG1 3.07Å; E23-I27 PolarHBondContact O-N 3.24Å
24E88.4Confident83.6Confident118 Ų11862.1 Ų62.155%0.55131%0.313SS*.Hα-helixtrans-58.5-44.7173.3-75.3-179.5-18000111.9E20 I21 W26 I27 T28E20-E24 WeakPolarHBondContact O-CG 3.44Å; E20-E24 PolarHBondContact O-N 2.79Å; I21-E24 PolarHBondContact O-N 3.36Å; E24-W26 VanDerWaalsContact C-N 3.32Å; E24-W26 PolarHBondContact O-N 3.41Å; E24-I27 PolarHBondContact O-N 2.87Å; E24-T28 VanDerWaalsContact O-CB 3.27Å; E24-T28 WeakPolarHBondContact O-CB 3.39Å; E24-T28 PolarHBondContact O-N 3.49Å; E24-T28 PolarHBondContact O-OG1 2.98Å
25D87.9Confident84Confident36 Ų3659.3 Ų59.319%0.19330%0.295CS..Hα-helixtrans-60.9-42.1173.8-98.5-26000110.5I21 D22 E23 T28 M29 R35 T321I21-D25 WeakPolarHBondContact O-CB 3.34Å; I21-D25 PolarHBondContact O-N 3.07Å; D22-D25 PolarHBondContact O-N 2.84Å; E23-D25 VanDerWaalsContact C-N 3.35Å; E23-D25 PolarHBondContact O-N 2Å; D25-T28 PolarHBondContact O-N 3.24Å; D25-M29 VanDerWaalsContact O-CB 3.3Å; D25-M29 WeakPolarHBondContact O-CB 3.41Å; D25-M29 WeakPolarHBondContact O-CG 3.46Å; D25-M29 PolarHBondContact O-N 2.96Å; D25-R35 IonicContact OD1-NH2 3.13Å; D25-R35 PolarHBondContact OD1-NH2 2.81Å; D25-R35 IonicContact OD2-NH2 2.72Å; D25-T321 HydrophobicContact CB-CG2 3.85Å; D25-T321 PolarHBondContact O-OG1 3.26Å
26W92.2Very high84.5Confident47 Ų4756.5 Ų56.518%0.17829%0.291CS..Hα-helixtrans-66.1-43.9179.4-57.2-6.9000112.1D22 E23 E24 T28 G30 M314 G317 K318D22-W26 HydrophobicContact CB-CZ2 3.79Å; D22-W26 PolarHBondContact O-N 2.88Å; D22-W26 PolarHBondContact O-NE1 3.25Å; E23-W26 HydrophobicContact CG-CE3 4.12Å; E23-W26 HydrophobicContact CG-CZ3 3.95Å; E23-W26 PolarHBondContact O-N 3.49Å; E23-W26 VanDerWaalsContact O-N 3.11Å; E24-W26 VanDerWaalsContact C-N 3.32Å; E24-W26 PolarHBondContact O-N 3.41Å; W26-T28 VanDerWaalsContact C-N 3.26Å; W26-T28 PolarHBondContact O-N 2.94Å; W26-G30 PolarHBondContact O-N 3.18Å; W26-M314 HydrophobicContact CB-CE 4.18Å; W26-M314 HydrophobicContact CE3-CE 4.25Å; W26-G317 VanDerWaalsContact O-CA 3.25Å; W26-G317 WeakPolarHBondContact O-CA 3.37Å; W26-K318 HydrophobicContact CD2-CB 3.93Å; W26-K318 HydrophobicContact CD2-CD 4.36Å; W26-K318 HydrophobicContact CD2-CG 4.2Å; W26-K318 HydrophobicContact CG-CB 3.96Å; W26-K318 HydrophobicContact CH2-CD 4.18Å; W26-K318 HydrophobicContact CZ2-CD 3.96Å; W26-K318 HydrophobicContact CZ2-CG 4.18Å; W26-K318 HydrophobicContact CZ3-CD 4.43Å
27I92.1Very high85Confident19 Ų1956.1 Ų56.110%0.09729%0.291CS..Hα-helixtrans-56.4-48.4174.7-68.5155.6000109E23 E24 A49 Y84 T85 Y313 M314E23-I27 WeakPolarHBondContact O-CD1 3.46Å; E23-I27 VanDerWaalsContact O-CG1 3.27Å; E23-I27 WeakPolarHBondContact O-CG1 3.07Å; E23-I27 PolarHBondContact O-N 3.24Å; E24-I27 PolarHBondContact O-N 2.87Å; I27-A49 HydrophobicContact CG2-CB 4.13Å; I27-Y84 HydrophobicContact CB-CE2 4.49Å; I27-Y84 HydrophobicContact CD1-CD2 4.21Å; I27-Y84 HydrophobicContact CD1-CE2 3.48Å; I27-Y84 VanDerWaalsContact CD1-CE2 3.48Å; I27-Y84 HydrophobicContact CG1-CD2 4.44Å; I27-Y84 HydrophobicContact CG1-CE2 3.65Å; I27-Y84 HydrophobicContact CG2-CD2 3.97Å; I27-Y84 HydrophobicContact CG2-CE2 3.98Å; I27-T85 HydrophobicContact CG2-CG2 3.97Å; I27-Y313 WeakPolarHBondContact O-CE1 3.24Å; I27-Y313 VanDerWaalsContact O-CZ 3.31Å; I27-Y313 PolarHBondContact O-OH 3.48Å; I27-M314 HydrophobicContact CB-SD 4.43Å; I27-M314 HydrophobicContact CD1-CE 4.44Å; I27-M314 HydrophobicContact CG1-CE 3.77Å; I27-M314 HydrophobicContact CG1-SD 3.53Å; I27-M314 VanDerWaalsContact CG1-SD 3.53Å
28T89.8Confident85.7Confident11 Ų1154.7 Ų54.77%0.06728%0.283CS..Hα-helixtrans-67.7-47-175.5-65.10000112.6E24 D25 W26 G30 I32 F68E24-T28 VanDerWaalsContact O-CB 3.27Å; E24-T28 WeakPolarHBondContact O-CB 3.39Å; E24-T28 PolarHBondContact O-N 3.49Å; E24-T28 PolarHBondContact O-OG1 2.98Å; D25-T28 PolarHBondContact O-N 3.24Å; W26-T28 VanDerWaalsContact C-N 3.26Å; W26-T28 PolarHBondContact O-N 2.94Å; T28-G30 VanDerWaalsContact C-N 3.32Å; T28-G30 PolarHBondContact O-N 3.29Å; T28-I32 HydrophobicContact CG2-CD1 4.37Å; T28-F68 HydrophobicContact CG2-CB 3.71Å; T28-F68 HydrophobicContact CG2-CD1 3.16Å; T28-F68 HydrophobicContact CG2-CD2 3.22Å; T28-F68 HydrophobicContact CG2-CE1 3.35Å; T28-F68 HydrophobicContact CG2-CE2 3.42Å; T28-F68 VanDerWaalsContact CG2-CE2 3.42Å; T28-F68 HydrophobicContact CG2-CG 3.06Å; T28-F68 HydrophobicContact CG2-CZ 3.48Å; T28-F68 VanDerWaalsContact CG2-CZ 3.48Å
29M88.1Confident86.4Confident0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-78.4-13.2-174.3-59.7-52.5138.400113.2D25 G31 I32 R35 F68 R320 T321 I324D25-M29 VanDerWaalsContact O-CB 3.3Å; D25-M29 WeakPolarHBondContact O-CB 3.41Å; D25-M29 WeakPolarHBondContact O-CG 3.46Å; D25-M29 PolarHBondContact O-N 2.96Å; M29-G31 PolarHBondContact O-N 3.19Å; M29-G31 VanDerWaalsContact O-N 3.16Å; M29-I32 HydrophobicContact CE-CD1 4.43Å; M29-I32 PolarHBondContact O-N 3.26Å; M29-I32 HydrophobicContact SD-CD1 3.81Å; M29-I32 HydrophobicContact SD-CG1 4.01Å; M29-R35 HydrophobicContact CE-CG 3.89Å; M29-R35 HydrophobicContact SD-CG 3.96Å; M29-F68 HydrophobicContact CE-CE1 3.88Å; M29-F68 HydrophobicContact CE-CZ 4.34Å; M29-R320 HydrophobicContact CB-CB 4.23Å; M29-R320 VanDerWaalsContact O-CD 3.23Å; M29-R320 WeakPolarHBondContact O-CD 3.4Å; M29-R320 PolarHBondContact O-NH1 3.27Å; M29-T321 WeakPolarHBondContact CG-OG1 3.28Å; M29-I324 HydrophobicContact CG-CD1 4.29Å; M29-I324 HydrophobicContact SD-CD1 3.77Å
30G86.1Confident87Confident2 Ų245.5 Ų45.52%0.02124%0.237CC..THydrogen-bonded Turntrans-60-29.3-178.100000113.9W26 T28 Y313 G317 R320W26-G30 PolarHBondContact O-N 3.18Å; T28-G30 VanDerWaalsContact C-N 3.32Å; T28-G30 PolarHBondContact O-N 3.29Å; G30-Y313 VanDerWaalsContact C-CZ 3.49Å; G30-Y313 VanDerWaalsContact CA-CZ 3.47Å; G30-Y313 WeakPolarHBondContact O-CE2 3.16Å; G30-G317 VanDerWaalsContact CA-CA 3.49Å; G30-R320 PolarHBondContact O-NH1 3.19Å
31G86.4Confident87.2Confident7 Ų746 Ų467%0.07225%0.248CC..THydrogen-bonded Turntrans-99.7-13.9-176.700000115.3M29 Y313 R320M29-G31 PolarHBondContact O-N 3.19Å; M29-G31 VanDerWaalsContact O-N 3.16Å; G31-Y313 VanDerWaalsContact N-CE2 3.3Å; G31-Y313 PolarHBondContact N-OH 2.91Å; G31-R320 VanDerWaalsContact C-NH1 3.33Å
32I86.6Confident87.6Confident4 Ų446.6 Ų46.62%0.02125%0.245CC..  trans-125.7159.5-171.665.7-179.2000110.7T28 M29 T39 F68 P69 R320T28-I32 HydrophobicContact CG2-CD1 4.37Å; M29-I32 HydrophobicContact CE-CD1 4.43Å; M29-I32 PolarHBondContact O-N 3.26Å; M29-I32 HydrophobicContact SD-CD1 3.81Å; M29-I32 HydrophobicContact SD-CG1 4.01Å; I32-T39 HydrophobicContact CG2-CG2 3.47Å; I32-T39 VanDerWaalsContact CG2-CG2 3.47Å; I32-F68 HydrophobicContact CD1-CB 4.45Å; I32-F68 HydrophobicContact CD1-CD1 3.58Å; I32-F68 HydrophobicContact CD1-CE1 4.3Å; I32-F68 HydrophobicContact CD1-CG 4.43Å; I32-P69 HydrophobicContact CD1-CG 4.12Å; I32-P69 HydrophobicContact CG2-CG 4.05Å; I32-R320 WeakPolarHBondContact O-CD 3.27Å; I32-R320 PolarHBondContact O-NH1 2.84Å
33D81.5Confident87.9Confident86 Ų8644 Ų4446%0.4624%0.236SC..SBendtrans-117-9.1170.453.819.5000112.3R42D33-R42 IonicContact OD1-CZ 3.76Å; D33-R42 VanDerWaalsContact OD1-CZ 3.29Å; D33-R42 IonicContact OD1-NH1 3.29Å; D33-R42 PolarHBondContact OD1-NH1 3.28Å; D33-R42 IonicContact OD1-NH2 3.88Å; D33-R42 PolarHBondContact OD1-NH2 3.42Å; D33-R42 IonicContact OD2-CZ 2.63Å; D33-R42 VanDerWaalsContact OD2-CZ 3.29Å; D33-R42 IonicContact OD2-NH1 2.87Å; D33-R42 PolarHBondContact OD2-NH1 3.13Å; D33-R42 IonicContact OD2-NH2 3.93Å; D33-R42 PolarHBondContact OD2-NH2 2.97Å
34D80.9Confident88.2Confident54 Ų5443 Ų4329%0.28923%0.23SC..  trans-141133.8179170.528.3000108.6S36 T37D34-S36 PolarHBondContact O-N 3.46Å; D34-S36 PolarHBondContact OD1-N 3.45Å; D34-S36 PolarHBondContact OD1-OG 3.43Å; D34-S36 PolarHBondContact OD2-OG 2.7Å; D34-T37 VanDerWaalsContact OD2-CB 3.23Å; D34-T37 WeakPolarHBondContact OD2-CB 3.33Å; D34-T37 PolarHBondContact OD2-N 3.18Å; D34-T37 PolarHBondContact OD2-OG1 3.16Å
35R83.5Confident88.4Confident58 Ų5838.5 Ų38.522%0.21921%0.21CC..SBendtrans-70.9-19.8178.9-67.6178.1166.1165-12.7112.1D25 M29 F68 P69 I72 E328D25-R35 IonicContact OD1-NH2 3.13Å; D25-R35 PolarHBondContact OD1-NH2 2.81Å; D25-R35 IonicContact OD2-NH2 2.72Å; M29-R35 HydrophobicContact CE-CG 3.89Å; M29-R35 HydrophobicContact SD-CG 3.96Å; R35-F68 HydrophobicContact CG-CE1 4.39Å; R35-P69 WeakPolarHBondContact O-CA 3.36Å; R35-P69 WeakPolarHBondContact O-CB 3.39Å; R35-I72 HydrophobicContact CB-CD1 4.27Å; R35-I72 WeakPolarHBondContact O-CD1 3.37Å; R35-E328 IonicContact CZ-OE1 3.11Å; R35-E328 IonicContact NH1-OE1 2.61Å; R35-E328 PolarHBondContact NH1-OE1 3.17Å; R35-E328 IonicContact NH1-OE2 2.78Å; R35-E328 PolarHBondContact NH1-OE2 3.21Å
36S83.6Confident88.7Confident80 Ų8041.4 Ų41.456%0.55922%0.221SC*.SBendtrans-100.1-19.1-173.277.20000115.4D34D34-S36 PolarHBondContact O-N 3.46Å; D34-S36 PolarHBondContact OD1-N 3.45Å; D34-S36 PolarHBondContact OD1-OG 3.43Å; D34-S36 PolarHBondContact OD2-OG 2.7Å
37T87.5Confident88.8Confident62 Ų6239.5 Ų39.538%0.3821%0.214SC..SBendtrans-99.7118.7-173.7-60.80000112.5D34 P69D34-T37 VanDerWaalsContact OD2-CB 3.23Å; D34-T37 WeakPolarHBondContact OD2-CB 3.33Å; D34-T37 PolarHBondContact OD2-N 3.18Å; D34-T37 PolarHBondContact OD2-OG1 3.16Å; T37-P69 WeakPolarHBondContact O-CG 3.36Å
38C91Very high89Confident27 Ų2738.7 Ų38.718%0.18221%0.209CC..  trans-52.9138.3173.3177.40000112.7F40 C70C38-F40 VanDerWaalsContact C-N 3.25Å; C38-F40 PolarHBondContact O-N 3.25Å; C38-F40 WeakPolarHBondContact SG-CB 3.42Å; C38-F40 PolarHBondContact SG-N 3.24Å; C38-F40 VanDerWaalsContact SG-N 3.37Å; C38-C70 PolarHBondContact SG-SG 2.96Å
39T92.6Very high89.3Confident0 Ų038.3 Ų38.30%021%0.207CC..G310 helixtrans-74.9-10.7-179.960.70000114.2I32 T41 R42 Q48 C67I32-T39 HydrophobicContact CG2-CG2 3.47Å; I32-T39 VanDerWaalsContact CG2-CG2 3.47Å; T39-T41 VanDerWaalsContact C-N 3.27Å; T39-T41 PolarHBondContact O-N 3.34Å; T39-R42 WeakPolarHBondContact O-CA 3.29Å; T39-R42 VanDerWaalsContact O-CB 3.22Å; T39-R42 WeakPolarHBondContact O-CB 3.29Å; T39-R42 PolarHBondContact O-N 3.25Å; T39-Q48 PolarHBondContact OG1-NE2 3.42Å; T39-Q48 PolarHBondContact OG1-OE1 3.48Å; T39-C67 HydrophobicContact CG2-CB 4.01Å; T39-C67 VanDerWaalsContact OG1-CB 3.24Å; T39-C67 WeakPolarHBondContact OG1-CB 3.18Å
40F91.2Very high89.8Confident13 Ų1338.3 Ų38.36%0.05721%0.207CC..G310 helixtrans-53.1-41.4-177.6177.6-96.4000114C38 R42 G43 R90 C91 L106 D109C38-F40 VanDerWaalsContact C-N 3.25Å; C38-F40 PolarHBondContact O-N 3.25Å; C38-F40 WeakPolarHBondContact SG-CB 3.42Å; C38-F40 PolarHBondContact SG-N 3.24Å; C38-F40 VanDerWaalsContact SG-N 3.37Å; F40-R42 PolarHBondContact O-N 2.96Å; F40-G43 PolarHBondContact O-N 3.17Å; F40-R90 HydrophobicContact CD2-CG 3.8Å; F40-R90 VanDerWaalsContact CD2-NE 3.3Å; F40-R90 HydrophobicContact CE2-CG 4.33Å; F40-R90 VanDerWaalsContact CE2-NE 3.26Å; F40-R90 VanDerWaalsContact CE2-NH2 3.27Å; F40-R90 PolarHBondContact O-NE 3.07Å; F40-R90 VanDerWaalsContact O-NE 3.16Å; F40-C91 HydrophobicContact CB-CB 4.23Å; F40-C91 VanDerWaalsContact CD2-O 3.3Å; F40-C91 WeakPolarHBondContact CD2-O 3.39Å; F40-L106 HydrophobicContact CB-CD1 3.45Å; F40-L106 VanDerWaalsContact CB-CD1 3.45Å; F40-L106 HydrophobicContact CD1-CD1 3.46Å; F40-L106 VanDerWaalsContact CD1-CD1 3.46Å; F40-L106 HydrophobicContact CD1-CD2 3.87Å; F40-L106 HydrophobicContact CD1-CG 3.89Å; F40-L106 HydrophobicContact CD2-CD1 4.06Å; F40-L106 HydrophobicContact CD2-CD2 3.51Å; F40-L106 HydrophobicContact CD2-CG 4.31Å; F40-L106 HydrophobicContact CE1-CD1 4.08Å; F40-L106 HydrophobicContact CE1-CD2 3.71Å; F40-L106 HydrophobicContact CE1-CG 3.97Å; F40-L106 HydrophobicContact CE2-CD2 3.36Å; F40-L106 HydrophobicContact CE2-CG 4.4Å; F40-L106 HydrophobicContact CG-CD1 3.39Å; F40-L106 HydrophobicContact CG-CD2 3.72Å; F40-L106 HydrophobicContact CG-CG 4.01Å; F40-L106 HydrophobicContact CZ-CD2 3.41Å; F40-L106 VanDerWaalsContact CZ-CD2 3.41Å; F40-L106 HydrophobicContact CZ-CG 4.19Å; F40-D109 HydrophobicContact CE1-CB 4.37Å; F40-D109 HydrophobicContact CZ-CB 3.63Å; F40-D109 WeakPolarHBondContact CZ-OD2 3.45Å
41T87.1Confident90.3Very high115 Ų11539.2 Ų39.271%0.70621%0.21SC*.G310 helixtrans-67-13.6-179.853.80000112.9T39 G43T39-T41 VanDerWaalsContact C-N 3.27Å; T39-T41 PolarHBondContact O-N 3.34Å; T41-G43 VanDerWaalsContact C-N 3.31Å
42R89.8Confident90.7Very high92 Ų9238.9 Ų38.935%0.34721%0.207SC..G310 helixtrans-86.4-3174.8-51.8176-176.7-124.8-25.3112.8D33 T39 F40 V45D33-R42 IonicContact OD1-CZ 3.76Å; D33-R42 VanDerWaalsContact OD1-CZ 3.29Å; D33-R42 IonicContact OD1-NH1 3.29Å; D33-R42 PolarHBondContact OD1-NH1 3.28Å; D33-R42 IonicContact OD1-NH2 3.88Å; D33-R42 PolarHBondContact OD1-NH2 3.42Å; D33-R42 IonicContact OD2-CZ 2.63Å; D33-R42 VanDerWaalsContact OD2-CZ 3.29Å; D33-R42 IonicContact OD2-NH1 2.87Å; D33-R42 PolarHBondContact OD2-NH1 3.13Å; D33-R42 IonicContact OD2-NH2 3.93Å; D33-R42 PolarHBondContact OD2-NH2 2.97Å; T39-R42 WeakPolarHBondContact O-CA 3.29Å; T39-R42 VanDerWaalsContact O-CB 3.22Å; T39-R42 WeakPolarHBondContact O-CB 3.29Å; T39-R42 PolarHBondContact O-N 3.25Å; F40-R42 PolarHBondContact O-N 2.96Å; R42-V45 HydrophobicContact CB-CG1 3.71Å
43G91.6Very high91.1Very high22 Ų2238.7 Ų38.723%0.22721%0.206CC..  trans70.6-143.8-174.400000112.1F40 T41 V45 R90F40-G43 PolarHBondContact O-N 3.17Å; T41-G43 VanDerWaalsContact C-N 3.31Å; G43-V45 PolarHBondContact O-N 2.85Å; G43-R90 WeakPolarHBondContact O-CG 3.18Å
44Y94.1Very high91.7Very high51 Ų5136.6 Ų36.620%0.219%0.194CC..SBendtrans-82.798.7177.7-65.7-86.3000110.1Y88 R90 N112 D113 L114 N115Y44-Y88 HydrophobicContact CD1-CD1 4.31Å; Y44-Y88 HydrophobicContact CD1-CE1 4.26Å; Y44-Y88 WeakPolarHBondContact CD1-O 3.31Å; Y44-Y88 HydrophobicContact CG-CD1 4.37Å; Y44-Y88 AromaticContact CG-CE1 3.98Å; Y44-Y88 HydrophobicContact CG-CE1 3.98Å; Y44-Y88 HydrophobicContact CG-CE2 4.49Å; Y44-R90 HydrophobicContact CD1-CB 3.75Å; Y44-R90 HydrophobicContact CE1-CB 3.77Å; Y44-R90 HydrophobicContact CG-CB 4.19Å; Y44-N112 HydrophobicContact CE1-CB 4.48Å; Y44-N112 WeakPolarHBondContact OH-CA 3.44Å; Y44-D113 PolarHBondContact OH-N 3.11Å; Y44-L114 HydrophobicContact CD1-CB 4.2Å; Y44-L114 HydrophobicContact CD2-CD1 4.12Å; Y44-L114 HydrophobicContact CE1-CB 3.57Å; Y44-L114 HydrophobicContact CE1-CG 4.41Å; Y44-L114 HydrophobicContact CE2-CB 4.16Å; Y44-L114 HydrophobicContact CE2-CD1 3.79Å; Y44-L114 HydrophobicContact CE2-CG 4.13Å; Y44-L114 PolarHBondContact OH-N 3.24Å; Y44-L114 VanDerWaalsContact OH-N 3.13Å; Y44-N115 VanDerWaalsContact CE1-OD1 3.28Å; Y44-N115 WeakPolarHBondContact CE1-OD1 3.45Å
45V93.5Very high92.3Very high23 Ų2338 Ų3814%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-76.1148.8177.4-60.90000110.5R42 G43 R47 Q48 Y88 F89R42-V45 HydrophobicContact CB-CG1 3.71Å; G43-V45 PolarHBondContact O-N 2.85Å; V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 2.94Å; V45-Q48 HydrophobicContact CG2-CB 3.82Å; V45-Q48 HydrophobicContact CG2-CG 3.66Å; V45-Q48 VanDerWaalsContact CG2-NE2 3.26Å; V45-Y88 WeakPolarHBondContact O-CA 3.04Å; V45-Y88 PolarHBondContact O-N 2.84Å; V45-F89 WeakPolarHBondContact CG2-O 3.44Å; V45-F89 PolarHBondContact N-O 3.44Å; V45-F89 PolarHBondContact O-N 3Å
46K93.1Very high92.7Very high96 Ų9635.9 Ų35.942%0.41720%0.198SC..EExtended strand (participates in β ladder)trans-52.8-45.8-176-70.3-163.9172.1-155.10113.1R87 Y88 D305 E307K46-R87 CarbonylContact O-C 3.52Å; K46-R87 VanDerWaalsContact O-CA 3.31Å; K46-R87 WeakPolarHBondContact O-CA 3.15Å; K46-Y88 PolarHBondContact O-N 3.29Å; K46-D305 IonicContact NZ-OD1 3.84Å; K46-D305 IonicContact NZ-OD2 3.42Å; K46-D305 PolarHBondContact NZ-OD2 2.83Å; K46-E307 HydrophobicContact CD-CB 4.07Å; K46-E307 VanDerWaalsContact CE-OE2 3.27Å; K46-E307 WeakPolarHBondContact CE-OE2 3.5Å; K46-E307 IonicContact NZ-OE2 3.64Å; K46-E307 PolarHBondContact NZ-OE2 3Å
47R95.2Very high93.1Very high8 Ų832.5 Ų32.53%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-156.8144.7175.7-161.4170.8-167.278.714.1109.5V45 T85 K86 E150 Y313V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 2.94Å; R47-T85 PolarHBondContact NE-OG1 3.42Å; R47-T85 PolarHBondContact NH2-O 2.96Å; R47-T85 PolarHBondContact NH2-OG1 3.46Å; R47-T85 VanDerWaalsContact NH2-OG1 3.1Å; R47-K86 VanDerWaalsContact CA-O 3.3Å; R47-K86 WeakPolarHBondContact CA-O 3.46Å; R47-K86 WeakPolarHBondContact CG-O 3.37Å; R47-E150 IonicContact CZ-OE1 2.7Å; R47-E150 IonicContact NH1-OE1 3.27Å; R47-E150 PolarHBondContact NH1-OE1 2.87Å; R47-E150 IonicContact NH2-OE1 2.85Å; R47-E150 PolarHBondContact NH2-OE1 2.98Å; R47-Y313 HydrophobicContact CB-CD2 3.66Å; R47-Y313 HydrophobicContact CB-CE2 4.01Å; R47-Y313 HydrophobicContact CB-CG 4.38Å; R47-Y313 HydrophobicContact CG-CD2 3.91Å; R47-Y313 HydrophobicContact CG-CE2 4.2Å; R47-Y313 HydrophobicContact CG-CG 4.23Å; R47-Y313 WeakPolarHBondContact O-CE2 3.41Å
48Q95.8Very high93.4Very high1 Ų133.2 Ų33.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-153.1152.1172.960.4177.3-43.900111.8T39 V45 L50 T85 K86 F89 Y313T39-Q48 PolarHBondContact OG1-NE2 3.42Å; T39-Q48 PolarHBondContact OG1-OE1 3.48Å; V45-Q48 HydrophobicContact CG2-CB 3.82Å; V45-Q48 HydrophobicContact CG2-CG 3.66Å; V45-Q48 VanDerWaalsContact CG2-NE2 3.26Å; Q48-L50 HydrophobicContact CG-CD2 3.8Å; Q48-L50 HydrophobicContact CG-CG 4.11Å; Q48-T85 WeakPolarHBondContact O-CA 3.26Å; Q48-K86 PolarHBondContact N-O 2.78Å; Q48-K86 VanDerWaalsContact N-O 3.14Å; Q48-K86 PolarHBondContact O-N 3.05Å; Q48-F89 PolarHBondContact NE2-O 2.87Å; Q48-Y313 WeakPolarHBondContact CA-OH 3.41Å
49A96.6Very high93.5Very high3 Ų333 Ų333%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-65.7134.6166.600000110.4I27 Y51 Y313I27-A49 HydrophobicContact CG2-CB 4.13Å; A49-Y51 HydrophobicContact CB-CE2 4.42Å; A49-Y313 PolarHBondContact N-OH 2.97Å
50L97.3Very high93.5Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-133154.2-175-69.2180000111.5Q48 A65 I66 L83 Y84 K86 F89Q48-L50 HydrophobicContact CG-CD2 3.8Å; Q48-L50 HydrophobicContact CG-CG 4.11Å; L50-A65 HydrophobicContact CB-CB 4.08Å; L50-A65 HydrophobicContact CD1-CB 4.17Å; L50-A65 HydrophobicContact CD2-CB 4.44Å; L50-A65 HydrophobicContact CG-CB 4.48Å; L50-I66 WeakPolarHBondContact CA-O 3.22Å; L50-L83 HydrophobicContact CB-CB 4.35Å; L50-L83 HydrophobicContact CB-CD1 4.5Å; L50-L83 WeakPolarHBondContact O-CB 3.29Å; L50-L83 PolarHBondContact O-N 3.19Å; L50-Y84 PolarHBondContact N-O 2.91Å; L50-K86 HydrophobicContact CD1-CB 3.62Å; L50-K86 HydrophobicContact CD1-CG 3.68Å; L50-F89 HydrophobicContact CD1-CB 3.94Å; L50-F89 HydrophobicContact CD1-CD1 3.31Å; L50-F89 HydrophobicContact CD1-CD2 3.75Å; L50-F89 HydrophobicContact CD1-CE1 3.64Å; L50-F89 HydrophobicContact CD1-CE2 4.04Å; L50-F89 HydrophobicContact CD1-CG 3.38Å; L50-F89 HydrophobicContact CD1-CZ 3.99Å; L50-F89 HydrophobicContact CD2-CD1 3.82Å; L50-F89 HydrophobicContact CD2-CE1 4.12Å; L50-F89 HydrophobicContact CG-CD1 4.23Å
51Y96.6Very high93.6Very high21 Ų2145.7 Ų45.78%0.08224%0.236CC..EExtended strand (participates in β ladder)trans-135143-178.9-55.7-97000109.1A49 A65 I66 F68 A71 I80 V81 E82A49-Y51 HydrophobicContact CB-CE2 4.42Å; Y51-A65 CarbonylContact O-C 3.55Å; Y51-A65 VanDerWaalsContact O-CA 3.24Å; Y51-A65 WeakPolarHBondContact O-CA 3.4Å; Y51-A65 WeakPolarHBondContact O-CB 3.33Å; Y51-I66 PolarHBondContact N-O 2.84Å; Y51-I66 WeakPolarHBondContact O-CG1 3.49Å; Y51-I66 PolarHBondContact O-N 3.37Å; Y51-F68 HydrophobicContact CE2-CB 3.89Å; Y51-F68 HydrophobicContact CE2-CD2 4.01Å; Y51-F68 HydrophobicContact CE2-CG 4.48Å; Y51-A71 HydrophobicContact CD2-CB 3.88Å; Y51-A71 HydrophobicContact CE2-CB 4.36Å; Y51-A71 HydrophobicContact CG-CB 4.07Å; Y51-I80 HydrophobicContact CD1-CD1 4.38Å; Y51-V81 CarbonylContact C-O 3.53Å; Y51-V81 VanDerWaalsContact CA-O 3.25Å; Y51-V81 WeakPolarHBondContact CA-O 3.49Å; Y51-E82 HydrophobicContact CD1-CB 3.95Å; Y51-E82 HydrophobicContact CD1-CG 4.15Å; Y51-E82 HydrophobicContact CE1-CB 3.81Å; Y51-E82 HydrophobicContact CE1-CG 3.7Å
52T95.7Very high93.9Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans-98.3142.4166.1-173.60000109.1I80 V81 L83T52-I80 CarbonylContact O-C 3.58Å; T52-I80 VanDerWaalsContact O-CA 3.29Å; T52-I80 WeakPolarHBondContact O-CA 3.47Å; T52-V81 HydrophobicContact CG2-CB 3.89Å; T52-V81 PolarHBondContact N-O 2.86Å; T52-V81 PolarHBondContact O-N 3.15Å; T52-L83 HydrophobicContact CG2-CD2 4.17Å; T52-L83 HydrophobicContact CG2-CG 4.41Å
53C94.6Very high94.1Very high0 Ų041.6 Ų41.60%021%0.213CC..EExtended strand (participates in β ladder)trans-106.7103.5-179.7-1770000110T55 C56 L57 I66 H78 I80C53-T55 VanDerWaalsContact C-N 3.26Å; C53-T55 PolarHBondContact O-N 3.33Å; C53-C56 HydrophobicContact CB-CB 4.17Å; C53-C56 PolarHBondContact O-N 3.33Å; C53-C56 VanDerWaalsContact SG-SG 3.68Å; C53-L57 WeakPolarHBondContact O-CB 3.15Å; C53-L57 WeakPolarHBondContact O-CG 3.33Å; C53-L57 PolarHBondContact O-N 2.86Å; C53-I66 HydrophobicContact CB-CD1 4.48Å; C53-H78 PolarHBondContact SG-ND1 3.38Å; C53-I80 HydrophobicContact CB-CG2 4.14Å
54H93.5Very high94.3Very high43 Ų4340.5 Ų40.520%0.19920%0.202CC..THydrogen-bonded Turntrans-68.5-26.5-179.3-70-169.1000112.5I59 D79 V81H54-I59 WeakPolarHBondContact NE2-CD1 3.32Å; H54-D79 HydrophobicContact CB-CB 4.21Å; H54-D79 WeakPolarHBondContact CB-OD2 3Å; H54-D79 IonicContact CG-OD2 3.82Å; H54-D79 PolarHBondContact N-O 3.32Å; H54-D79 IonicContact ND1-OD2 2.86Å; H54-V81 WeakPolarHBondContact CE1-CG2 3.39Å
55T93.4Very high94.4Very high83 Ų8338.1 Ų38.151%0.50919%0.192SC..THydrogen-bonded Turntrans-70.3-37.7174.6-540000112.6C53 H78 D79C53-T55 VanDerWaalsContact C-N 3.26Å; C53-T55 PolarHBondContact O-N 3.33Å; T55-H78 HydrophobicContact CG2-CB 4.48Å; T55-D79 PolarHBondContact OG1-N 2.99Å
56C92.4Very high94.5Very high14 Ų1437 Ų3710%0.09519%0.186CC..THydrogen-bonded Turntrans-88.7-27.8-177.2-73.50000113.4C53 H75 H78 F98 V101C53-C56 HydrophobicContact CB-CB 4.17Å; C53-C56 PolarHBondContact O-N 3.33Å; C53-C56 VanDerWaalsContact SG-SG 3.68Å; C56-H75 VanDerWaalsContact SG-CE1 3.52Å; C56-H78 PolarHBondContact SG-CE1 3.27Å; C56-H78 PolarHBondContact SG-ND1 3.4Å; C56-F98 HydrophobicContact CB-CD1 3.84Å; C56-F98 HydrophobicContact CB-CE1 3.89Å; C56-V101 HydrophobicContact CB-CB 4.28Å; C56-V101 HydrophobicContact CB-CG2 3.96Å
57L92.7Very high94.6Very high9 Ų932.4 Ų32.45%0.04717%0.166CC..  trans-116136.9-169.5-57.1170.6000110.5C53 I59 I62 A64 F98C53-L57 WeakPolarHBondContact O-CB 3.15Å; C53-L57 WeakPolarHBondContact O-CG 3.33Å; C53-L57 PolarHBondContact O-N 2.86Å; L57-I59 VanDerWaalsContact C-N 3.32Å; L57-I59 HydrophobicContact CB-CG2 4.1Å; L57-I59 PolarHBondContact O-N 3.02Å; L57-I59 VanDerWaalsContact O-N 3.11Å; L57-I62 HydrophobicContact CD2-CG2 4.08Å; L57-A64 HydrophobicContact CD1-CB 3.78Å; L57-A64 HydrophobicContact CD2-CB 4.23Å; L57-F98 HydrophobicContact CD1-CE1 4.13Å; L57-F98 HydrophobicContact CD1-CZ 3.86Å; L57-F98 HydrophobicContact CD2-CD1 4.13Å; L57-F98 HydrophobicContact CD2-CE1 3.85Å; L57-F98 HydrophobicContact CD2-CE2 4.29Å; L57-F98 HydrophobicContact CD2-CG 4.47Å; L57-F98 HydrophobicContact CD2-CZ 3.94Å; L57-F98 HydrophobicContact CG-CE1 3.96Å; L57-F98 HydrophobicContact CG-CZ 4.13Å
58N93.2Very high94.5Very high76 Ų7633.7 Ų33.741%0.40617%0.171SC..  trans-76.990.9156.2-175.8-3.9000108.2D60 Q61 I62N58-D60 PolarHBondContact O-N 3.15Å; N58-D60 VanDerWaalsContact O-N 3.14Å; N58-Q61 HydrophobicContact CB-CB 4.44Å; N58-Q61 PolarHBondContact ND2-OE1 3.48Å; N58-Q61 VanDerWaalsContact ND2-OE1 3.13Å; N58-Q61 PolarHBondContact O-N 3.48Å; N58-I62 PolarHBondContact O-N 3.13Å
59I93.1Very high94.3Very high24 Ų2433.7 Ų33.712%0.12317%0.171CC..THydrogen-bonded Turntrans-62-21.6-171.364.3176.6000114.1H54 L57 Q61 S122 N123H54-I59 WeakPolarHBondContact NE2-CD1 3.32Å; L57-I59 VanDerWaalsContact C-N 3.32Å; L57-I59 HydrophobicContact CB-CG2 4.1Å; L57-I59 PolarHBondContact O-N 3.02Å; L57-I59 VanDerWaalsContact O-N 3.11Å; I59-Q61 PolarHBondContact O-N 3.08Å; I59-S122 VanDerWaalsContact O-CB 3.3Å; I59-S122 WeakPolarHBondContact O-CB 3.38Å; I59-S122 PolarHBondContact O-OG 3.18Å; I59-N123 HydrophobicContact CD1-CB 3.91Å
60D92.7Very high94.1Very high125 Ų12533.8 Ų33.867%0.66817%0.172SC*.THydrogen-bonded Turntrans-71.6-19.2174.1-66.9-35000112.5N58N58-D60 PolarHBondContact O-N 3.15Å; N58-D60 VanDerWaalsContact O-N 3.14Å
61Q92.9Very high93.9Very high154 Ų15434 Ų3472%0.7217%0.173SC*.THydrogen-bonded Turntrans-117.3-37.4-174.7-64.8-176.9-9.900112.8N58 I59N58-Q61 HydrophobicContact CB-CB 4.44Å; N58-Q61 PolarHBondContact ND2-OE1 3.48Å; N58-Q61 VanDerWaalsContact ND2-OE1 3.13Å; N58-Q61 PolarHBondContact O-N 3.48Å; I59-Q61 PolarHBondContact O-N 3.08Å
62I93.2Very high93.6Very high63 Ų6336.6 Ų36.632%0.32319%0.188SC..  trans-122.9112.3-171.8-56.2177.3000108.8L57 N58 K97L57-I62 HydrophobicContact CD2-CG2 4.08Å; N58-I62 PolarHBondContact O-N 3.13Å; I62-K97 HydrophobicContact CG2-CB 3.93Å; I62-K97 HydrophobicContact CG2-CD 4.26Å; I62-K97 HydrophobicContact CG2-CG 4.25Å
63K95.4Very high93.3Very high57 Ų5740.2 Ų40.225%0.24821%0.21CC..  trans-91.4117.7171.4-63.2-177.7176.8-170.30109.5K97 Y117 N118 D119 F121 S122K63-K97 PolarHBondContact O-NZ 2.93Å; K63-Y117 HydrophobicContact CB-CD1 3.94Å; K63-Y117 HydrophobicContact CB-CG 4.02Å; K63-Y117 WeakPolarHBondContact O-CE1 3.12Å; K63-N118 PolarHBondContact NZ-O 3.17Å; K63-D119 IonicContact NZ-OD1 2.96Å; K63-D119 PolarHBondContact NZ-OD1 2.9Å; K63-F121 HydrophobicContact CB-CB 3.85Å; K63-F121 HydrophobicContact CD-CB 4.18Å; K63-F121 HydrophobicContact CG-CB 3.92Å; K63-S122 WeakPolarHBondContact CE-OG 3.39Å
64A95.1Very high93Very high0 Ų041.6 Ų41.60%022%0.219CC..  trans-150158.7174.500000109.8L57 D92 K97 F98L57-A64 HydrophobicContact CD1-CB 3.78Å; L57-A64 HydrophobicContact CD2-CB 4.23Å; A64-D92 WeakPolarHBondContact CA-OD2 3.46Å; A64-D92 HydrophobicContact CB-CB 3.97Å; A64-K97 HydrophobicContact CB-CB 4.22Å; A64-K97 HydrophobicContact CB-CD 3.73Å; A64-F98 HydrophobicContact CB-CE2 3.68Å; A64-F98 HydrophobicContact CB-CZ 4.03Å
65A96.5Very high92.9Very high0 Ų039.5 Ų39.50%021%0.21CC..  trans-143.5149.4172.100000113.6L50 Y51 L83 F89 D92 F121L50-A65 HydrophobicContact CB-CB 4.08Å; L50-A65 HydrophobicContact CD1-CB 4.17Å; L50-A65 HydrophobicContact CD2-CB 4.44Å; L50-A65 HydrophobicContact CG-CB 4.48Å; Y51-A65 CarbonylContact O-C 3.55Å; Y51-A65 VanDerWaalsContact O-CA 3.24Å; Y51-A65 WeakPolarHBondContact O-CA 3.4Å; Y51-A65 WeakPolarHBondContact O-CB 3.33Å; A65-L83 HydrophobicContact CB-CD1 3.78Å; A65-F89 HydrophobicContact CB-CE1 4.03Å; A65-F89 HydrophobicContact CB-CZ 3.9Å; A65-D92 PolarHBondContact N-OD2 3.23Å; A65-D92 WeakPolarHBondContact O-CB 3.37Å; A65-D92 PolarHBondContact O-N 2.86Å; A65-F121 HydrophobicContact CB-CD1 3.95Å; A65-F121 HydrophobicContact CB-CE1 3.54Å
66I94.6Very high92.7Very high0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-109.3147.1179.765.2177000110.3L50 Y51 C53 C70 A71 H75 C93 F98L50-I66 WeakPolarHBondContact CA-O 3.22Å; Y51-I66 PolarHBondContact N-O 2.84Å; Y51-I66 WeakPolarHBondContact O-CG1 3.49Å; Y51-I66 PolarHBondContact O-N 3.37Å; C53-I66 HydrophobicContact CB-CD1 4.48Å; I66-C70 HydrophobicContact CB-CB 3.99Å; I66-A71 HydrophobicContact CD1-CB 4.19Å; I66-H75 HydrophobicContact CD1-CB 3.81Å; I66-H75 WeakPolarHBondContact CD1-CD2 3.49Å; I66-C93 HydrophobicContact CB-CB 4.26Å; I66-C93 HydrophobicContact CG2-CB 3.71Å; I66-F98 HydrophobicContact CG2-CE1 4.14Å; I66-F98 HydrophobicContact CG2-CE2 4.26Å; I66-F98 HydrophobicContact CG2-CZ 3.61Å
67C95.2Very high92.6Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-74.4162.9173.470.20000111.7T39 C70 A71 C91T39-C67 HydrophobicContact CG2-CB 4.01Å; T39-C67 VanDerWaalsContact OG1-CB 3.24Å; T39-C67 WeakPolarHBondContact OG1-CB 3.18Å; C67-C70 WeakPolarHBondContact O-CB 3.46Å; C67-C70 PolarHBondContact O-N 3.2Å; C67-C70 VanDerWaalsContact SG-SG 3.67Å; C67-A71 PolarHBondContact O-N 3.43Å; C67-C91 HydrophobicContact CB-CB 4.04Å; C67-C91 PolarHBondContact N-SG 3.05Å; C67-C91 VanDerWaalsContact SG-SG 3.63Å
68F94.5Very high92.6Very high34 Ų3447.6 Ų47.615%0.14925%0.253CS..Hα-helixtrans-53.1-47.1179.7175.1-102.9000115T28 M29 I32 R35 Y51 C70 A71 I72T28-F68 HydrophobicContact CG2-CB 3.71Å; T28-F68 HydrophobicContact CG2-CD1 3.16Å; T28-F68 HydrophobicContact CG2-CD2 3.22Å; T28-F68 HydrophobicContact CG2-CE1 3.35Å; T28-F68 HydrophobicContact CG2-CE2 3.42Å; T28-F68 VanDerWaalsContact CG2-CE2 3.42Å; T28-F68 HydrophobicContact CG2-CG 3.06Å; T28-F68 HydrophobicContact CG2-CZ 3.48Å; T28-F68 VanDerWaalsContact CG2-CZ 3.48Å; M29-F68 HydrophobicContact CE-CE1 3.88Å; M29-F68 HydrophobicContact CE-CZ 4.34Å; I32-F68 HydrophobicContact CD1-CB 4.45Å; I32-F68 HydrophobicContact CD1-CD1 3.58Å; I32-F68 HydrophobicContact CD1-CE1 4.3Å; I32-F68 HydrophobicContact CD1-CG 4.43Å; R35-F68 HydrophobicContact CG-CE1 4.39Å; Y51-F68 HydrophobicContact CE2-CB 3.89Å; Y51-F68 HydrophobicContact CE2-CD2 4.01Å; Y51-F68 HydrophobicContact CE2-CG 4.48Å; F68-C70 PolarHBondContact O-N 3.01Å; F68-A71 WeakPolarHBondContact O-CA 3.34Å; F68-A71 VanDerWaalsContact O-CB 3.3Å; F68-A71 WeakPolarHBondContact O-CB 3.3Å; F68-A71 PolarHBondContact O-N 3.37Å; F68-I72 HydrophobicContact CD1-CD1 4.34Å; F68-I72 HydrophobicContact CD2-CG2 4.06Å; F68-I72 HydrophobicContact CE1-CD1 3.71Å; F68-I72 HydrophobicContact CE1-CG1 4.48Å; F68-I72 HydrophobicContact CE1-CG2 4.18Å; F68-I72 HydrophobicContact CE2-CG2 3.53Å; F68-I72 HydrophobicContact CZ-CD1 4.03Å; F68-I72 HydrophobicContact CZ-CG2 3.61Å; F68-I72 PolarHBondContact O-N 3.16Å
69P91.7Very high92.7Very high1 Ų148.4 Ų48.41%0.00626%0.258CS..Hα-helixtrans-55-38.5175.2-30.536.9000113.4I32 R35 T37 V73I32-P69 HydrophobicContact CD1-CG 4.12Å; I32-P69 HydrophobicContact CG2-CG 4.05Å; R35-P69 WeakPolarHBondContact O-CA 3.36Å; R35-P69 WeakPolarHBondContact O-CB 3.39Å; T37-P69 WeakPolarHBondContact O-CG 3.36Å; P69-V73 VanDerWaalsContact O-CB 3.23Å; P69-V73 WeakPolarHBondContact O-CB 3.3Å; P69-V73 VanDerWaalsContact O-CG2 3.24Å; P69-V73 WeakPolarHBondContact O-CG2 3.44Å; P69-V73 PolarHBondContact O-N 2.84Å
70C92.2Very high92.7Very high6 Ų650 Ų504%0.04127%0.266CS..Hα-helixtrans-70.6-36.8175.3-69.90000112.2C38 I66 C67 F68 I72 C74 H75 C93C38-C70 PolarHBondContact SG-SG 2.96Å; I66-C70 HydrophobicContact CB-CB 3.99Å; C67-C70 WeakPolarHBondContact O-CB 3.46Å; C67-C70 PolarHBondContact O-N 3.2Å; C67-C70 VanDerWaalsContact SG-SG 3.67Å; F68-C70 PolarHBondContact O-N 3.01Å; C70-I72 VanDerWaalsContact C-N 3.3Å; C70-I72 PolarHBondContact O-N 3.42Å; C70-C74 WeakPolarHBondContact O-CA 3.29Å; C70-C74 WeakPolarHBondContact O-CB 3.49Å; C70-C74 PolarHBondContact O-N 3.18Å; C70-H75 PolarHBondContact O-CD2 2.9Å; C70-H75 PolarHBondContact O-N 3.5Å; C70-H75 VanDerWaalsContact O-N 3.09Å; C70-C93 HydrophobicContact CB-CB 3.91Å; C70-C93 VanDerWaalsContact SG-CB 3.52Å; C70-C93 VanDerWaalsContact SG-SG 3.63Å
71A93.1Very high92.7Very high3 Ų345.1 Ų45.13%0.02524%0.24CC..Hα-helixtrans-57.5-44.4175.500000111.1Y51 I66 C67 F68 H75 S76 I80Y51-A71 HydrophobicContact CD2-CB 3.88Å; Y51-A71 HydrophobicContact CE2-CB 4.36Å; Y51-A71 HydrophobicContact CG-CB 4.07Å; I66-A71 HydrophobicContact CD1-CB 4.19Å; C67-A71 PolarHBondContact O-N 3.43Å; F68-A71 WeakPolarHBondContact O-CA 3.34Å; F68-A71 VanDerWaalsContact O-CB 3.3Å; F68-A71 WeakPolarHBondContact O-CB 3.3Å; F68-A71 PolarHBondContact O-N 3.37Å; A71-H75 CarbonylContact O-C 3.06Å; A71-S76 WeakPolarHBondContact O-CA 3.46Å; A71-S76 PolarHBondContact O-N 3.01Å; A71-I80 HydrophobicContact CB-CD1 3.94Å
72I89.4Confident92.7Very high76 Ų7641.8 Ų41.839%0.3923%0.225SC..Hα-helixtrans-88.4-23.9-177.171.1173.2000114.9R35 F68 C70 S76R35-I72 HydrophobicContact CB-CD1 4.27Å; R35-I72 WeakPolarHBondContact O-CD1 3.37Å; F68-I72 HydrophobicContact CD1-CD1 4.34Å; F68-I72 HydrophobicContact CD2-CG2 4.06Å; F68-I72 HydrophobicContact CE1-CD1 3.71Å; F68-I72 HydrophobicContact CE1-CG1 4.48Å; F68-I72 HydrophobicContact CE1-CG2 4.18Å; F68-I72 HydrophobicContact CE2-CG2 3.53Å; F68-I72 HydrophobicContact CZ-CD1 4.03Å; F68-I72 HydrophobicContact CZ-CG2 3.61Å; F68-I72 PolarHBondContact O-N 3.16Å; C70-I72 VanDerWaalsContact C-N 3.3Å; C70-I72 PolarHBondContact O-N 3.42Å; I72-S76 WeakPolarHBondContact O-CB 3.4Å
73V89.2Confident92.8Very high77 Ų7738.9 Ų38.947%0.46721%0.21SC..Hα-helixtrans-96.8-43.4-177.9177.50000112.1P69P69-V73 VanDerWaalsContact O-CB 3.23Å; P69-V73 WeakPolarHBondContact O-CB 3.3Å; P69-V73 VanDerWaalsContact O-CG2 3.24Å; P69-V73 WeakPolarHBondContact O-CG2 3.44Å; P69-V73 PolarHBondContact O-N 2.84Å
74C89Confident92.8Very high28 Ų2838.1 Ų38.119%0.18921%0.206CC..THydrogen-bonded Turntrans-103-26.1-171.7-61.80000113C70C70-C74 WeakPolarHBondContact O-CA 3.29Å; C70-C74 WeakPolarHBondContact O-CB 3.49Å; C70-C74 PolarHBondContact O-N 3.18Å
75H91.4Very high92.8Very high0 Ų038.1 Ų38.10%021%0.206CC..SBendtrans-127.322.5-170.9-62-85.4000112.7C56 I66 C70 A71 D77 H78 I80C56-H75 VanDerWaalsContact SG-CE1 3.52Å; I66-H75 HydrophobicContact CD1-CB 3.81Å; I66-H75 WeakPolarHBondContact CD1-CD2 3.49Å; C70-H75 PolarHBondContact O-CD2 2.9Å; C70-H75 PolarHBondContact O-N 3.5Å; C70-H75 VanDerWaalsContact O-N 3.09Å; A71-H75 CarbonylContact O-C 3.06Å; H75-D77 PolarHBondContact O-N 3.06Å; H75-H78 HydrophobicContact CB-CB 4.24Å; H75-H78 AromaticContact ND1-CE1 3.89Å; H75-H78 AromaticContact ND1-ND1 3.37Å; H75-H78 PolarHBondContact ND1-ND1 3.22Å; H75-H78 WeakPolarHBondContact O-CB 3.47Å; H75-H78 PolarHBondContact O-N 2.9Å; H75-H78 VanDerWaalsContact O-N 3.11Å; H75-I80 HydrophobicContact CB-CG2 4.16Å
76S89.9Confident92.8Very high73 Ų7338.3 Ų38.351%0.5121%0.206SC..THydrogen-bonded Turntrans-61-31.4-175.659.50000113.6A71 I72A71-S76 WeakPolarHBondContact O-CA 3.46Å; A71-S76 PolarHBondContact O-N 3.01Å; I72-S76 WeakPolarHBondContact O-CB 3.4Å
77D90.7Very high92.9Very high154 Ų15439.4 Ų39.482%0.82421%0.211SC*.THydrogen-bonded Turntrans-98.311-177-57.3-23000112.1H75H75-D77 PolarHBondContact O-N 3.06Å
78H92.7Very high92.9Very high48 Ų4845.4 Ų45.422%0.22223%0.234CC..SBendtrans-102.1157.8-177.2-71.2-154.9000111.3C53 T55 C56 H75 I80 C102C53-H78 PolarHBondContact SG-ND1 3.38Å; T55-H78 HydrophobicContact CG2-CB 4.48Å; C56-H78 PolarHBondContact SG-CE1 3.27Å; C56-H78 PolarHBondContact SG-ND1 3.4Å; H75-H78 HydrophobicContact CB-CB 4.24Å; H75-H78 AromaticContact ND1-CE1 3.89Å; H75-H78 AromaticContact ND1-ND1 3.37Å; H75-H78 PolarHBondContact ND1-ND1 3.22Å; H75-H78 WeakPolarHBondContact O-CB 3.47Å; H75-H78 PolarHBondContact O-N 2.9Å; H75-H78 VanDerWaalsContact O-N 3.11Å; H78-I80 HydrophobicContact CB-CG2 4.19Å; H78-I80 PolarHBondContact O-N 3.02Å; H78-C102 PolarHBondContact CE1-SG 3.46Å; H78-C102 PolarHBondContact NE2-SG 2.68Å
79D93.6Very high93Very high94 Ų9443.9 Ų43.950%0.50323%0.227SC..  trans-71107.6164.2-175.922000108.8H54 T55H54-D79 HydrophobicContact CB-CB 4.21Å; H54-D79 WeakPolarHBondContact CB-OD2 3Å; H54-D79 IonicContact CG-OD2 3.82Å; H54-D79 PolarHBondContact N-O 3.32Å; H54-D79 IonicContact ND1-OD2 2.86Å; T55-D79 PolarHBondContact OG1-N 2.99Å
80I93.2Very high93.2Very high57 Ų5745.9 Ų45.929%0.29224%0.235SC..EExtended strand (participates in β ladder)trans-121.9139.9179.759.7170.2000109.7Y51 T52 C53 A71 H75 H78Y51-I80 HydrophobicContact CD1-CD1 4.38Å; T52-I80 CarbonylContact O-C 3.58Å; T52-I80 VanDerWaalsContact O-CA 3.29Å; T52-I80 WeakPolarHBondContact O-CA 3.47Å; C53-I80 HydrophobicContact CB-CG2 4.14Å; A71-I80 HydrophobicContact CB-CD1 3.94Å; H75-I80 HydrophobicContact CB-CG2 4.16Å; H78-I80 HydrophobicContact CB-CG2 4.19Å; H78-I80 PolarHBondContact O-N 3.02Å
81V93.1Very high93.3Very high23 Ų2345.6 Ų45.614%0.13923%0.233CC..EExtended strand (participates in β ladder)trans-117.8130.3176.7175.40000109.3Y51 T52 H54Y51-V81 CarbonylContact C-O 3.53Å; Y51-V81 VanDerWaalsContact CA-O 3.25Å; Y51-V81 WeakPolarHBondContact CA-O 3.49Å; T52-V81 HydrophobicContact CG2-CB 3.89Å; T52-V81 PolarHBondContact N-O 2.86Å; T52-V81 PolarHBondContact O-N 3.15Å; H54-V81 WeakPolarHBondContact CE1-CG2 3.39Å
82E93.6Very high93.4Very high84 Ų8445.4 Ų45.439%0.39323%0.232SC..EExtended strand (participates in β ladder)trans-69.5131.5176.5-169.9-174159.800110.9Y51Y51-E82 HydrophobicContact CD1-CB 3.95Å; Y51-E82 HydrophobicContact CD1-CG 4.15Å; Y51-E82 HydrophobicContact CE1-CB 3.81Å; Y51-E82 HydrophobicContact CE1-CG 3.7Å
83L95.5Very high93.5Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-103.35.1175.9-62.2174.7000112.5L50 T52 A65 K86 N120 F121L50-L83 HydrophobicContact CB-CB 4.35Å; L50-L83 HydrophobicContact CB-CD1 4.5Å; L50-L83 WeakPolarHBondContact O-CB 3.29Å; L50-L83 PolarHBondContact O-N 3.19Å; T52-L83 HydrophobicContact CG2-CD2 4.17Å; T52-L83 HydrophobicContact CG2-CG 4.41Å; A65-L83 HydrophobicContact CB-CD1 3.78Å; L83-K86 WeakPolarHBondContact O-CE 3.31Å; L83-N120 HydrophobicContact CD2-CB 4.07Å; L83-N120 VanDerWaalsContact CD2-O 3.25Å; L83-N120 WeakPolarHBondContact CD2-O 3.28Å; L83-F121 HydrophobicContact CD1-CD1 3.59Å; L83-F121 HydrophobicContact CD1-CE1 3.7Å; L83-F121 HydrophobicContact CD1-CG 4.12Å; L83-F121 HydrophobicContact CD1-CZ 4.28Å
84Y94.3Very high93.4Very high42 Ų4239.2 Ų39.217%0.16520%0.201CC..EExtended strand (participates in β ladder)trans57.1-152-167.7-164.6-114.9000111I27 L50 W152 V310I27-Y84 HydrophobicContact CB-CE2 4.49Å; I27-Y84 HydrophobicContact CD1-CD2 4.21Å; I27-Y84 HydrophobicContact CD1-CE2 3.48Å; I27-Y84 VanDerWaalsContact CD1-CE2 3.48Å; I27-Y84 HydrophobicContact CG1-CD2 4.44Å; I27-Y84 HydrophobicContact CG1-CE2 3.65Å; I27-Y84 HydrophobicContact CG2-CD2 3.97Å; I27-Y84 HydrophobicContact CG2-CE2 3.98Å; L50-Y84 PolarHBondContact N-O 2.91Å; Y84-W152 HydrophobicContact CD1-CH2 4.24Å; Y84-W152 AromaticContact CD1-CZ2 3.63Å; Y84-W152 HydrophobicContact CD1-CZ2 3.63Å; Y84-W152 HydrophobicContact CD2-CH2 4.45Å; Y84-W152 HydrophobicContact CD2-CZ2 4.15Å; Y84-W152 HydrophobicContact CE1-CZ2 4.35Å; Y84-W152 HydrophobicContact CG-CH2 4.2Å; Y84-W152 AromaticContact CG-CZ2 3.53Å; Y84-W152 HydrophobicContact CG-CZ2 3.53Å; Y84-V310 HydrophobicContact CE1-CG1 4.1Å
85T95.3Very high93.5Very high0 Ų038.1 Ų38.10%019%0.194CC..EExtended strand (participates in β ladder)trans-83.1137.2-178.969.30000111.5I27 R47 Q48 Q145 Y313I27-T85 HydrophobicContact CG2-CG2 3.97Å; R47-T85 PolarHBondContact NE-OG1 3.42Å; R47-T85 PolarHBondContact NH2-O 2.96Å; R47-T85 PolarHBondContact NH2-OG1 3.46Å; R47-T85 VanDerWaalsContact NH2-OG1 3.1Å; Q48-T85 WeakPolarHBondContact O-CA 3.26Å; T85-Q145 PolarHBondContact O-NE2 3.48Å; T85-Y313 HydrophobicContact CG2-CD1 3.62Å; T85-Y313 HydrophobicContact CG2-CE1 3.16Å
86K96.8Very high93.3Very high3 Ų341.1 Ų41.11%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-127.1145.8171.6-58-67.5179.1169.40111.5R47 Q48 L50 L83 F89 N118 N120 F121 E150R47-K86 VanDerWaalsContact CA-O 3.3Å; R47-K86 WeakPolarHBondContact CA-O 3.46Å; R47-K86 WeakPolarHBondContact CG-O 3.37Å; Q48-K86 PolarHBondContact N-O 2.78Å; Q48-K86 VanDerWaalsContact N-O 3.14Å; Q48-K86 PolarHBondContact O-N 3.05Å; L50-K86 HydrophobicContact CD1-CB 3.62Å; L50-K86 HydrophobicContact CD1-CG 3.68Å; L83-K86 WeakPolarHBondContact O-CE 3.31Å; K86-F89 HydrophobicContact CB-CB 4.47Å; K86-F89 HydrophobicContact CB-CD2 4.47Å; K86-N118 PolarHBondContact NZ-ND2 3.06Å; K86-N120 PolarHBondContact NZ-OD1 2.78Å; K86-N120 VanDerWaalsContact NZ-OD1 3.07Å; K86-F121 HydrophobicContact CG-CZ 4.35Å; K86-E150 WeakPolarHBondContact CA-OE1 3.41Å; K86-E150 HydrophobicContact CD-CB 3.85Å; K86-E150 HydrophobicContact CD-CG 4.45Å; K86-E150 WeakPolarHBondContact CD-OE2 3.41Å; K86-E150 PolarHBondContact NZ-O 2.95Å
87R96.3Very high93.3Very high24 Ų2439.3 Ų39.39%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-81.1147.7-17972.9-167.382-101.93.3112.4K46 F89 G147 E150 D308K46-R87 CarbonylContact O-C 3.52Å; K46-R87 VanDerWaalsContact O-CA 3.31Å; K46-R87 WeakPolarHBondContact O-CA 3.15Å; R87-F89 VanDerWaalsContact C-N 3.28Å; R87-F89 PolarHBondContact O-N 3.13Å; R87-F89 VanDerWaalsContact O-N 3.16Å; R87-G147 PolarHBondContact NH2-O 2.95Å; R87-E150 VanDerWaalsContact CZ-CD 3.49Å; R87-E150 IonicContact CZ-OE1 3.31Å; R87-E150 PolarHBondContact N-OE1 3.35Å; R87-E150 PolarHBondContact N-OE2 2.95Å; R87-E150 VanDerWaalsContact NE-CD 3.26Å; R87-E150 IonicContact NE-OE1 2.79Å; R87-E150 PolarHBondContact NE-OE1 2.96Å; R87-E150 VanDerWaalsContact NE-OE1 3.11Å; R87-E150 IonicContact NE-OE2 3.29Å; R87-E150 IonicContact NH1-OE1 3.03Å; R87-E150 IonicContact NH2-OE1 3.83Å; R87-E150 PolarHBondContact NH2-OE1 2.85Å; R87-E150 VanDerWaalsContact NH2-OE1 3.11Å; R87-D308 WeakPolarHBondContact CB-OD1 3.41Å; R87-D308 IonicContact CZ-OD1 2.86Å; R87-D308 IonicContact NH1-OD1 3.11Å; R87-D308 PolarHBondContact NH1-OD1 3.37Å; R87-D308 IonicContact NH1-OD2 3.86Å; R87-D308 PolarHBondContact NH1-OD2 3.28Å
88Y96.4Very high93.2Very high125 Ų12532.3 Ų32.349%0.4916%0.16SC..EExtended strand (participates in β ladder)trans44.551.5169.5-159.3-110.3000113.3Y44 V45 K46 L114Y44-Y88 HydrophobicContact CD1-CD1 4.31Å; Y44-Y88 HydrophobicContact CD1-CE1 4.26Å; Y44-Y88 WeakPolarHBondContact CD1-O 3.31Å; Y44-Y88 HydrophobicContact CG-CD1 4.37Å; Y44-Y88 AromaticContact CG-CE1 3.98Å; Y44-Y88 HydrophobicContact CG-CE1 3.98Å; Y44-Y88 HydrophobicContact CG-CE2 4.49Å; V45-Y88 WeakPolarHBondContact O-CA 3.04Å; V45-Y88 PolarHBondContact O-N 2.84Å; K46-Y88 PolarHBondContact O-N 3.29Å; Y88-L114 HydrophobicContact CE1-CB 4.39Å; Y88-L114 HydrophobicContact CE1-CD1 4.08Å
89F96.6Very high92.7Very high2 Ų233.8 Ų33.81%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-118142-171.8-159.6-81.2000109.9V45 Q48 L50 A65 K86 R87 N115 Y117 F121V45-F89 WeakPolarHBondContact CG2-O 3.44Å; V45-F89 PolarHBondContact N-O 3.44Å; V45-F89 PolarHBondContact O-N 3Å; Q48-F89 PolarHBondContact NE2-O 2.87Å; L50-F89 HydrophobicContact CD1-CB 3.94Å; L50-F89 HydrophobicContact CD1-CD1 3.31Å; L50-F89 HydrophobicContact CD1-CD2 3.75Å; L50-F89 HydrophobicContact CD1-CE1 3.64Å; L50-F89 HydrophobicContact CD1-CE2 4.04Å; L50-F89 HydrophobicContact CD1-CG 3.38Å; L50-F89 HydrophobicContact CD1-CZ 3.99Å; L50-F89 HydrophobicContact CD2-CD1 3.82Å; L50-F89 HydrophobicContact CD2-CE1 4.12Å; L50-F89 HydrophobicContact CG-CD1 4.23Å; A65-F89 HydrophobicContact CB-CE1 4.03Å; A65-F89 HydrophobicContact CB-CZ 3.9Å; K86-F89 HydrophobicContact CB-CB 4.47Å; K86-F89 HydrophobicContact CB-CD2 4.47Å; R87-F89 VanDerWaalsContact C-N 3.28Å; R87-F89 PolarHBondContact O-N 3.13Å; R87-F89 VanDerWaalsContact O-N 3.16Å; F89-N115 HydrophobicContact CD2-CB 4.08Å; F89-N115 VanDerWaalsContact CE1-ND2 3.28Å; F89-N115 WeakPolarHBondContact CE1-ND2 3.41Å; F89-N115 HydrophobicContact CE2-CB 3.74Å; F89-N115 HydrophobicContact CZ-CB 4.07Å; F89-N115 VanDerWaalsContact CZ-ND2 3.3Å; F89-N115 WeakPolarHBondContact CZ-ND2 3.39Å; F89-Y117 HydrophobicContact CE2-CD1 4.28Å; F89-Y117 AromaticContact CE2-CE1 3.95Å; F89-Y117 HydrophobicContact CE2-CE1 3.95Å; F89-Y117 HydrophobicContact CZ-CD1 4.35Å; F89-Y117 AromaticContact CZ-CE1 3.7Å; F89-Y117 HydrophobicContact CZ-CE1 3.7Å; F89-F121 HydrophobicContact CD2-CZ 4.46Å; F89-F121 AromaticContact CE2-CE1 3.74Å; F89-F121 HydrophobicContact CE2-CE1 3.74Å; F89-F121 AromaticContact CE2-CZ 3.68Å; F89-F121 HydrophobicContact CE2-CZ 3.68Å; F89-F121 AromaticContact CZ-CE1 3.81Å; F89-F121 HydrophobicContact CZ-CE1 3.81Å; F89-F121 HydrophobicContact CZ-CZ 4.23Å
90R94.5Very high91.8Very high43 Ų4333.6 Ų33.616%0.16220%0.2CC..  trans-113.7134.6172.9-177.2171.2175.7-144.49.6108.9F40 G43 Y44 D92 D109 N112 N115F40-R90 HydrophobicContact CD2-CG 3.8Å; F40-R90 VanDerWaalsContact CD2-NE 3.3Å; F40-R90 HydrophobicContact CE2-CG 4.33Å; F40-R90 VanDerWaalsContact CE2-NE 3.26Å; F40-R90 VanDerWaalsContact CE2-NH2 3.27Å; F40-R90 PolarHBondContact O-NE 3.07Å; F40-R90 VanDerWaalsContact O-NE 3.16Å; G43-R90 WeakPolarHBondContact O-CG 3.18Å; Y44-R90 HydrophobicContact CD1-CB 3.75Å; Y44-R90 HydrophobicContact CE1-CB 3.77Å; Y44-R90 HydrophobicContact CG-CB 4.19Å; R90-D92 PolarHBondContact O-N 3.23Å; R90-D109 IonicContact CZ-OD2 2.63Å; R90-D109 IonicContact NH1-OD2 3.44Å; R90-D109 IonicContact NH2-OD2 3.6Å; R90-D109 PolarHBondContact NH2-OD2 3.36Å; R90-N112 WeakPolarHBondContact CD-OD1 3.26Å; R90-N112 PolarHBondContact NH1-OD1 3.17Å; R90-N112 PolarHBondContact O-ND2 2.93Å; R90-N115 PolarHBondContact N-OD1 3.25Å; R90-N115 PolarHBondContact O-ND2 3.02Å; R90-N115 PolarHBondContact O-OD1 3.11Å
91C94.6Very high91Very high0 Ų033.1 Ų33.10%020%0.2CC..  trans-53.4136.4-178.4-176.40000111.6F40 C67 C93 N112F40-C91 HydrophobicContact CB-CB 4.23Å; F40-C91 VanDerWaalsContact CD2-O 3.3Å; F40-C91 WeakPolarHBondContact CD2-O 3.39Å; C67-C91 HydrophobicContact CB-CB 4.04Å; C67-C91 PolarHBondContact N-SG 3.05Å; C67-C91 VanDerWaalsContact SG-SG 3.63Å; C91-C93 WeakPolarHBondContact SG-CB 3.48Å; C91-C93 PolarHBondContact SG-N 2.81Å; C91-N112 PolarHBondContact O-ND2 3.37Å
92D94.7Very high89.9Confident0 Ų034.7 Ų34.70%021%0.211CC..  trans-93.4-6.5177.2-67-49.8000113.6A64 A65 R90 G94 N95 F98 N112 N115 Y117A64-D92 WeakPolarHBondContact CA-OD2 3.46Å; A64-D92 HydrophobicContact CB-CB 3.97Å; A65-D92 PolarHBondContact N-OD2 3.23Å; A65-D92 WeakPolarHBondContact O-CB 3.37Å; A65-D92 PolarHBondContact O-N 2.86Å; R90-D92 PolarHBondContact O-N 3.23Å; D92-G94 PolarHBondContact O-N 3.47Å; D92-G94 VanDerWaalsContact O-N 3.14Å; D92-N95 WeakPolarHBondContact CA-ND2 3.28Å; D92-N95 WeakPolarHBondContact CB-ND2 3.28Å; D92-N95 PolarHBondContact O-N 2.82Å; D92-N95 VanDerWaalsContact O-N 3.13Å; D92-N95 PolarHBondContact O-ND2 3.23Å; D92-N95 PolarHBondContact O-OD1 3.33Å; D92-N95 PolarHBondContact OD1-ND2 3.02Å; D92-N95 VanDerWaalsContact OD1-ND2 3.13Å; D92-F98 HydrophobicContact CB-CE2 3.8Å; D92-F98 WeakPolarHBondContact O-CD2 3.37Å; D92-F98 WeakPolarHBondContact O-CE2 3.22Å; D92-N112 PolarHBondContact OD1-ND2 2.73Å; D92-N115 PolarHBondContact OD1-ND2 2.89Å; D92-N115 VanDerWaalsContact OD1-ND2 3.11Å; D92-Y117 PolarHBondContact OD1-OH 3.39Å; D92-Y117 WeakPolarHBondContact OD2-CE1 3.28Å; D92-Y117 PolarHBondContact OD2-OH 2.82Å; D92-Y117 VanDerWaalsContact OD2-OH 3.13Å
93C91.3Very high88.8Confident2 Ų238.1 Ų38.11%0.01423%0.233CC..THydrogen-bonded Turntrans-52122.9-178-176.90000110.6I66 C70 C91 L106I66-C93 HydrophobicContact CB-CB 4.26Å; I66-C93 HydrophobicContact CG2-CB 3.71Å; C70-C93 HydrophobicContact CB-CB 3.91Å; C70-C93 VanDerWaalsContact SG-CB 3.52Å; C70-C93 VanDerWaalsContact SG-SG 3.63Å; C91-C93 WeakPolarHBondContact SG-CB 3.48Å; C91-C93 PolarHBondContact SG-N 2.81Å; C93-L106 WeakPolarHBondContact O-CB 3.26Å; C93-L106 WeakPolarHBondContact O-CD2 3.36Å; C93-L106 WeakPolarHBondContact O-CG 3.45Å
94G88.5Confident87.6Confident20 Ų2039.2 Ų39.221%0.20624%0.24CC..THydrogen-bonded Turntrans81.32.7176.200000117.1D92 C104D92-G94 PolarHBondContact O-N 3.47Å; D92-G94 VanDerWaalsContact O-N 3.14Å; G94-C104 VanDerWaalsContact CA-CB 3.48Å
95N89.9Confident86.4Confident6 Ų643.6 Ų43.63%0.03227%0.266CS..SBendtrans-78.9-177.2168.874.219.2000112.3D92 K97 F98D92-N95 WeakPolarHBondContact CA-ND2 3.28Å; D92-N95 WeakPolarHBondContact CB-ND2 3.28Å; D92-N95 PolarHBondContact O-N 2.82Å; D92-N95 VanDerWaalsContact O-N 3.13Å; D92-N95 PolarHBondContact O-ND2 3.23Å; D92-N95 PolarHBondContact O-OD1 3.33Å; D92-N95 PolarHBondContact OD1-ND2 3.02Å; D92-N95 VanDerWaalsContact OD1-ND2 3.13Å; N95-K97 PolarHBondContact O-N 3.43Å; N95-K97 VanDerWaalsContact OD1-CB 3.27Å; N95-K97 WeakPolarHBondContact OD1-CB 3.33Å; N95-K97 PolarHBondContact OD1-N 2.9Å; N95-F98 PolarHBondContact O-N 3.24Å
96S88.7Confident85Confident62 Ų6245 Ų4543%0.43427%0.273SS..G310 helixtrans-54.8-26.3-178.358.50000114.8F98 A99 E111S96-F98 PolarHBondContact O-N 2.94Å; S96-A99 WeakPolarHBondContact O-CB 3.15Å; S96-A99 PolarHBondContact O-N 3.32Å; S96-A99 VanDerWaalsContact O-N 3.09Å; S96-E111 WeakPolarHBondContact OG-CG 3.16Å; S96-E111 PolarHBondContact OG-OE1 3.45Å
97K89.9Confident83.3Confident36 Ų3655.5 Ų55.516%0.15731%0.312CS..G310 helixtrans-67.9-23.3177.1-59.2-175.6179-179.20112.5I62 K63 A64 N95 Y117I62-K97 HydrophobicContact CG2-CB 3.93Å; I62-K97 HydrophobicContact CG2-CD 4.26Å; I62-K97 HydrophobicContact CG2-CG 4.25Å; K63-K97 PolarHBondContact O-NZ 2.93Å; A64-K97 HydrophobicContact CB-CB 4.22Å; A64-K97 HydrophobicContact CB-CD 3.73Å; N95-K97 PolarHBondContact O-N 3.43Å; N95-K97 VanDerWaalsContact OD1-CB 3.27Å; N95-K97 WeakPolarHBondContact OD1-CB 3.33Å; N95-K97 PolarHBondContact OD1-N 2.9Å; K97-Y117 PolarHBondContact NZ-OH 2.87Å
98F88.6Confident81.5Confident6 Ų664 Ų643%0.02635%0.353CS..G310 helixtrans-102.317.2174.4-66.3-95.3000111.9C56 L57 A64 I66 D92 N95 S96 G100 V101C56-F98 HydrophobicContact CB-CD1 3.84Å; C56-F98 HydrophobicContact CB-CE1 3.89Å; L57-F98 HydrophobicContact CD1-CE1 4.13Å; L57-F98 HydrophobicContact CD1-CZ 3.86Å; L57-F98 HydrophobicContact CD2-CD1 4.13Å; L57-F98 HydrophobicContact CD2-CE1 3.85Å; L57-F98 HydrophobicContact CD2-CE2 4.29Å; L57-F98 HydrophobicContact CD2-CG 4.47Å; L57-F98 HydrophobicContact CD2-CZ 3.94Å; L57-F98 HydrophobicContact CG-CE1 3.96Å; L57-F98 HydrophobicContact CG-CZ 4.13Å; A64-F98 HydrophobicContact CB-CE2 3.68Å; A64-F98 HydrophobicContact CB-CZ 4.03Å; I66-F98 HydrophobicContact CG2-CE1 4.14Å; I66-F98 HydrophobicContact CG2-CE2 4.26Å; I66-F98 HydrophobicContact CG2-CZ 3.61Å; D92-F98 HydrophobicContact CB-CE2 3.8Å; D92-F98 WeakPolarHBondContact O-CD2 3.37Å; D92-F98 WeakPolarHBondContact O-CE2 3.22Å; N95-F98 PolarHBondContact O-N 3.24Å; S96-F98 PolarHBondContact O-N 2.94Å; F98-G100 PolarHBondContact O-N 3.42Å; F98-V101 VanDerWaalsContact C-CG2 3.48Å; F98-V101 HydrophobicContact CB-CG2 3.98Å; F98-V101 HydrophobicContact CD1-CG2 4.25Å; F98-V101 WeakPolarHBondContact O-CG2 3.48Å; F98-V101 PolarHBondContact O-N 3.43Å; F98-V101 VanDerWaalsContact O-N 3.12Å
99A80.6Confident80Confident79 Ų7961.9 Ų61.965%0.65335%0.35SS*.THydrogen-bonded Turntrans-59123.1-179.400000111.5S96 V101S96-A99 WeakPolarHBondContact O-CB 3.15Å; S96-A99 PolarHBondContact O-N 3.32Å; S96-A99 VanDerWaalsContact O-N 3.09Å; A99-V101 VanDerWaalsContact C-N 3.32Å; A99-V101 PolarHBondContact O-N 3Å
100G76.5Confident79Confident90 Ų9068.6 Ų68.693%0.92839%0.386SS*.THydrogen-bonded Turntrans80.24.9178.400000115.3F98F98-G100 PolarHBondContact O-N 3.42Å
101V76.1Confident78.5Confident48 Ų4871.2 Ų71.229%0.29140%0.4SS..SBendtrans-123.1130.3176.8-69.40000110.8C56 F98 A99C56-V101 HydrophobicContact CB-CB 4.28Å; C56-V101 HydrophobicContact CB-CG2 3.96Å; F98-V101 VanDerWaalsContact C-CG2 3.48Å; F98-V101 HydrophobicContact CB-CG2 3.98Å; F98-V101 HydrophobicContact CD1-CG2 4.25Å; F98-V101 WeakPolarHBondContact O-CG2 3.48Å; F98-V101 PolarHBondContact O-N 3.43Å; F98-V101 VanDerWaalsContact O-N 3.12Å; A99-V101 VanDerWaalsContact C-N 3.32Å; A99-V101 PolarHBondContact O-N 3Å
102C69.5Low78.4Confident55 Ų5571.4 Ų71.437%0.37240%0.401SS..SBendtrans58.8155.8-175.4-104.90000116.6H78 C104H78-C102 PolarHBondContact CE1-SG 3.46Å; H78-C102 PolarHBondContact NE2-SG 2.68Å; C102-C104 PolarHBondContact O-N 2.98Å; C102-C104 VanDerWaalsContact O-N 3.1Å
103N70.9Confident78.3Confident157 Ų15778.1 Ų78.184%0.8444%0.437SS*.  trans-84.450.8169.9-70.3-23.3000110.4L105N103-L105 PolarHBondContact O-N 3.19Å
104C68.6Low78.4Confident23 Ų2382.4 Ų82.416%0.15546%0.46CS..  trans-55.6134179.9-65.60000110.1G94 C102 L106G94-C104 VanDerWaalsContact CA-CB 3.48Å; C102-C104 PolarHBondContact O-N 2.98Å; C102-C104 VanDerWaalsContact O-N 3.1Å; C104-L106 PolarHBondContact O-N 2.64Å
105L69.3Low78.8Confident135 Ų13582 Ų8271%0.70745%0.453SS*.  trans-81.46.3-170.9-60.5178.1000114.4N103N103-L105 PolarHBondContact O-N 3.19Å
106L66.9Low79.1Confident28 Ų2888.5 Ų88.515%0.14748%0.483CS..  trans-79.8144.3-179.2-147.682.3000111F40 C93 C104F40-L106 HydrophobicContact CB-CD1 3.45Å; F40-L106 VanDerWaalsContact CB-CD1 3.45Å; F40-L106 HydrophobicContact CD1-CD1 3.46Å; F40-L106 VanDerWaalsContact CD1-CD1 3.46Å; F40-L106 HydrophobicContact CD1-CD2 3.87Å; F40-L106 HydrophobicContact CD1-CG 3.89Å; F40-L106 HydrophobicContact CD2-CD1 4.06Å; F40-L106 HydrophobicContact CD2-CD2 3.51Å; F40-L106 HydrophobicContact CD2-CG 4.31Å; F40-L106 HydrophobicContact CE1-CD1 4.08Å; F40-L106 HydrophobicContact CE1-CD2 3.71Å; F40-L106 HydrophobicContact CE1-CG 3.97Å; F40-L106 HydrophobicContact CE2-CD2 3.36Å; F40-L106 HydrophobicContact CE2-CG 4.4Å; F40-L106 HydrophobicContact CG-CD1 3.39Å; F40-L106 HydrophobicContact CG-CD2 3.72Å; F40-L106 HydrophobicContact CG-CG 4.01Å; F40-L106 HydrophobicContact CZ-CD2 3.41Å; F40-L106 VanDerWaalsContact CZ-CD2 3.41Å; F40-L106 HydrophobicContact CZ-CG 4.19Å; C93-L106 WeakPolarHBondContact O-CB 3.26Å; C93-L106 WeakPolarHBondContact O-CD2 3.36Å; C93-L106 WeakPolarHBondContact O-CG 3.45Å; C104-L106 PolarHBondContact O-N 2.64Å
107W60.2Low79.5Confident224 Ų22488.3 Ų88.385%0.84847%0.473SS*.  trans-76.4148.4173.6-56.185.1000110.1D109W107-D109 PolarHBondContact O-N 2.87Å
108E60.1Low79.8Confident204 Ų20488.1 Ų88.195%0.95347%0.474SS*.  trans-51.496.7173.8-62.1174.817900110.7
109D63.5Low80.2Confident79 Ų7990.7 Ų90.742%0.42249%0.488SS..  trans-124.6155173-136.55.5000107.6F40 R90 W107F40-D109 HydrophobicContact CE1-CB 4.37Å; F40-D109 HydrophobicContact CZ-CB 3.63Å; F40-D109 WeakPolarHBondContact CZ-OD2 3.45Å; R90-D109 IonicContact CZ-OD2 2.63Å; R90-D109 IonicContact NH1-OD2 3.44Å; R90-D109 IonicContact NH2-OD2 3.6Å; R90-D109 PolarHBondContact NH2-OD2 3.36Å; W107-D109 PolarHBondContact O-N 2.87Å
110D76.1Confident81Confident143 Ų14386.9 Ų86.977%0.76546%0.457SS*.  trans-65164.8177.2-71.8-40.2000112
111E83.9Confident82Confident98 Ų9882.7 Ų82.746%0.45841%0.413SS..  trans-54.6147.1178.7-68.6-174.1-167.400112.9S96 D113S96-E111 WeakPolarHBondContact OG-CG 3.16Å; S96-E111 PolarHBondContact OG-OE1 3.45Å; E111-D113 VanDerWaalsContact C-N 3.34Å; E111-D113 PolarHBondContact O-N 3.41Å
112N92.8Very high82.9Confident4 Ų480.9 Ų80.92%0.02140%0.402CS..  trans-76.983177.7-67.5-52000111Y44 R90 C91 D92 L114 N115Y44-N112 HydrophobicContact CE1-CB 4.48Å; Y44-N112 WeakPolarHBondContact OH-CA 3.44Å; R90-N112 WeakPolarHBondContact CD-OD1 3.26Å; R90-N112 PolarHBondContact NH1-OD1 3.17Å; R90-N112 PolarHBondContact O-ND2 2.93Å; C91-N112 PolarHBondContact O-ND2 3.37Å; D92-N112 PolarHBondContact OD1-ND2 2.73Å; N112-L114 PolarHBondContact O-N 3.13Å; N112-L114 VanDerWaalsContact O-N 3.1Å; N112-N115 HydrophobicContact CB-CB 4.22Å; N112-N115 VanDerWaalsContact CB-ND2 3.25Å; N112-N115 WeakPolarHBondContact CB-ND2 3.23Å; N112-N115 WeakPolarHBondContact O-CB 3.4Å; N112-N115 PolarHBondContact O-N 3.23Å; N112-N115 VanDerWaalsContact O-N 3.09Å
113D92Very high84.2Confident141 Ų14179.9 Ų79.975%0.75439%0.393SS*.THydrogen-bonded Turntrans-59.3-21-174.4-69.8-27.4000115.6Y44 E111Y44-D113 PolarHBondContact OH-N 3.11Å; E111-D113 VanDerWaalsContact C-N 3.34Å; E111-D113 PolarHBondContact O-N 3.41Å
114L94.5Very high85.4Confident93 Ų9375.7 Ų75.749%0.48737%0.369SS..THydrogen-bonded Turntrans-96.1-8.6-180-48.3177.6000113.3Y44 Y88 N112Y44-L114 HydrophobicContact CD1-CB 4.2Å; Y44-L114 HydrophobicContact CD2-CD1 4.12Å; Y44-L114 HydrophobicContact CE1-CB 3.57Å; Y44-L114 HydrophobicContact CE1-CG 4.41Å; Y44-L114 HydrophobicContact CE2-CB 4.16Å; Y44-L114 HydrophobicContact CE2-CD1 3.79Å; Y44-L114 HydrophobicContact CE2-CG 4.13Å; Y44-L114 PolarHBondContact OH-N 3.24Å; Y44-L114 VanDerWaalsContact OH-N 3.13Å; Y88-L114 HydrophobicContact CE1-CB 4.39Å; Y88-L114 HydrophobicContact CE1-CD1 4.08Å; N112-L114 PolarHBondContact O-N 3.13Å; N112-L114 VanDerWaalsContact O-N 3.1Å
115N96.7Very high86.7Confident12 Ų1275 Ų756%0.06436%0.363CS..  trans-63140174.5-79.8-4.8000110Y44 F89 R90 D92 N112 Y117Y44-N115 VanDerWaalsContact CE1-OD1 3.28Å; Y44-N115 WeakPolarHBondContact CE1-OD1 3.45Å; F89-N115 HydrophobicContact CD2-CB 4.08Å; F89-N115 VanDerWaalsContact CE1-ND2 3.28Å; F89-N115 WeakPolarHBondContact CE1-ND2 3.41Å; F89-N115 HydrophobicContact CE2-CB 3.74Å; F89-N115 HydrophobicContact CZ-CB 4.07Å; F89-N115 VanDerWaalsContact CZ-ND2 3.3Å; F89-N115 WeakPolarHBondContact CZ-ND2 3.39Å; R90-N115 PolarHBondContact N-OD1 3.25Å; R90-N115 PolarHBondContact O-ND2 3.02Å; R90-N115 PolarHBondContact O-OD1 3.11Å; D92-N115 PolarHBondContact OD1-ND2 2.89Å; D92-N115 VanDerWaalsContact OD1-ND2 3.11Å; N112-N115 HydrophobicContact CB-CB 4.22Å; N112-N115 VanDerWaalsContact CB-ND2 3.25Å; N112-N115 WeakPolarHBondContact CB-ND2 3.23Å; N112-N115 WeakPolarHBondContact O-CB 3.4Å; N112-N115 PolarHBondContact O-N 3.23Å; N112-N115 VanDerWaalsContact O-N 3.09Å; N115-Y117 HydrophobicContact CB-CD2 4.45Å; N115-Y117 HydrophobicContact CB-CE1 4.15Å; N115-Y117 HydrophobicContact CB-CE2 3.51Å; N115-Y117 WeakPolarHBondContact CB-OH 3.48Å; N115-Y117 PolarHBondContact ND2-OH 3.36Å; N115-Y117 VanDerWaalsContact ND2-OH 3.12Å; N115-Y117 WeakPolarHBondContact O-CE2 3.25Å
116Q96.1Very high88.1Confident142 Ų14268.5 Ų68.566%0.66433%0.329SS*.  trans-110.9125176.9-62.3-172.812.100110.2
117Y96.6Very high89.5Confident57 Ų5770.3 Ų70.322%0.22434%0.341CS..  trans-115.6107.5-175.6-50-91.1000109.8K63 F89 D92 K97 N115 F121K63-Y117 HydrophobicContact CB-CD1 3.94Å; K63-Y117 HydrophobicContact CB-CG 4.02Å; K63-Y117 WeakPolarHBondContact O-CE1 3.12Å; F89-Y117 HydrophobicContact CE2-CD1 4.28Å; F89-Y117 AromaticContact CE2-CE1 3.95Å; F89-Y117 HydrophobicContact CE2-CE1 3.95Å; F89-Y117 HydrophobicContact CZ-CD1 4.35Å; F89-Y117 AromaticContact CZ-CE1 3.7Å; F89-Y117 HydrophobicContact CZ-CE1 3.7Å; D92-Y117 PolarHBondContact OD1-OH 3.39Å; D92-Y117 WeakPolarHBondContact OD2-CE1 3.28Å; D92-Y117 PolarHBondContact OD2-OH 2.82Å; D92-Y117 VanDerWaalsContact OD2-OH 3.13Å; K97-Y117 PolarHBondContact NZ-OH 2.87Å; N115-Y117 HydrophobicContact CB-CD2 4.45Å; N115-Y117 HydrophobicContact CB-CE1 4.15Å; N115-Y117 HydrophobicContact CB-CE2 3.51Å; N115-Y117 WeakPolarHBondContact CB-OH 3.48Å; N115-Y117 PolarHBondContact ND2-OH 3.36Å; N115-Y117 VanDerWaalsContact ND2-OH 3.12Å; N115-Y117 WeakPolarHBondContact O-CE2 3.25Å; Y117-F121 AromaticContact CD1-CD1 3.67Å; Y117-F121 HydrophobicContact CD1-CD1 3.67Å; Y117-F121 AromaticContact CD1-CE1 3.67Å; Y117-F121 HydrophobicContact CD1-CE1 3.67Å; Y117-F121 HydrophobicContact CD1-CG 4.1Å; Y117-F121 HydrophobicContact CD1-CZ 4.13Å; Y117-F121 HydrophobicContact CE1-CD1 4.42Å; Y117-F121 HydrophobicContact CE1-CE1 4.22Å
118N96.5Very high91.1Very high32 Ų3261.8 Ų61.817%0.17132%0.315CS..  trans-85.5-168.2169.971.64.9000110.3K63 K86 N120 F121 C149 E150 N151K63-N118 PolarHBondContact NZ-O 3.17Å; K86-N118 PolarHBondContact NZ-ND2 3.06Å; N118-N120 VanDerWaalsContact C-N 3.29Å; N118-N120 PolarHBondContact ND2-OD1 3.45Å; N118-N120 PolarHBondContact O-N 3.33Å; N118-N120 VanDerWaalsContact OD1-CB 3.28Å; N118-N120 WeakPolarHBondContact OD1-CB 3.4Å; N118-N120 VanDerWaalsContact OD1-CG 3.29Å; N118-N120 PolarHBondContact OD1-N 3.24Å; N118-N120 VanDerWaalsContact OD1-N 3.11Å; N118-N120 PolarHBondContact OD1-OD1 3.47Å; N118-F121 WeakPolarHBondContact O-CD2 3.34Å; N118-F121 WeakPolarHBondContact OD1-CD2 3.38Å; N118-C149 PolarHBondContact ND2-O 2.92Å; N118-E150 VanDerWaalsContact ND2-C 3.26Å; N118-E150 PolarHBondContact ND2-O 3.31Å; N118-E150 VanDerWaalsContact ND2-O 3.09Å; N118-N151 PolarHBondContact ND2-N 3.41Å
119D96.7Very high92.9Very high60 Ų6055.8 Ų55.832%0.32129%0.287SS..G310 helixtrans-77-13.6-176.2-58.2-37.2000113.8K63 F121 S122 Q124K63-D119 IonicContact NZ-OD1 2.96Å; K63-D119 PolarHBondContact NZ-OD1 2.9Å; D119-F121 PolarHBondContact O-N 2.96Å; D119-S122 CarbonylContact O-C 3.53Å; D119-S122 WeakPolarHBondContact O-CA 3.43Å; D119-S122 PolarHBondContact O-N 3.28Å; D119-Q124 CarbonylContact C-O 3.48Å; D119-Q124 HydrophobicContact CB-CB 4.03Å; D119-Q124 PolarHBondContact O-N 3Å
120N97.1Very high94.4Very high0 Ų056 Ų560%028%0.282CS..G310 helixtrans-62.1-30.5177.5-52.2152.8000111.8L83 K86 N118 S122 N123 Q124 Y125 E150 N151L83-N120 HydrophobicContact CD2-CB 4.07Å; L83-N120 VanDerWaalsContact CD2-O 3.25Å; L83-N120 WeakPolarHBondContact CD2-O 3.28Å; K86-N120 PolarHBondContact NZ-OD1 2.78Å; K86-N120 VanDerWaalsContact NZ-OD1 3.07Å; N118-N120 VanDerWaalsContact C-N 3.29Å; N118-N120 PolarHBondContact ND2-OD1 3.45Å; N118-N120 PolarHBondContact O-N 3.33Å; N118-N120 VanDerWaalsContact OD1-CB 3.28Å; N118-N120 WeakPolarHBondContact OD1-CB 3.4Å; N118-N120 VanDerWaalsContact OD1-CG 3.29Å; N118-N120 PolarHBondContact OD1-N 3.24Å; N118-N120 VanDerWaalsContact OD1-N 3.11Å; N118-N120 PolarHBondContact OD1-OD1 3.47Å; N120-S122 PolarHBondContact O-N 3.3Å; N120-S122 VanDerWaalsContact O-N 3.16Å; N120-N123 PolarHBondContact O-N 2.87Å; N120-Q124 WeakPolarHBondContact CA-O 3.34Å; N120-Q124 PolarHBondContact N-O 3.3Å; N120-Q124 PolarHBondContact ND2-O 2.89Å; N120-Q124 VanDerWaalsContact ND2-O 3.09Å; N120-Y125 HydrophobicContact CB-CD1 4.02Å; N120-Y125 HydrophobicContact CB-CE1 3.59Å; N120-Y125 WeakPolarHBondContact ND2-CD1 3.41Å; N120-E150 PolarHBondContact OD1-O 2.86Å; N120-N151 PolarHBondContact ND2-OD1 3.02Å; N120-N151 WeakPolarHBondContact OD1-CA 3.38Å
121F97.3Very high95.2Very high1 Ų151.7 Ų51.70%0.00426%0.262CS..G310 helixtrans-65.4-14.6176.7-65.7-101.3000113.1K63 A65 L83 K86 F89 Y117 N118 D119K63-F121 HydrophobicContact CB-CB 3.85Å; K63-F121 HydrophobicContact CD-CB 4.18Å; K63-F121 HydrophobicContact CG-CB 3.92Å; A65-F121 HydrophobicContact CB-CD1 3.95Å; A65-F121 HydrophobicContact CB-CE1 3.54Å; L83-F121 HydrophobicContact CD1-CD1 3.59Å; L83-F121 HydrophobicContact CD1-CE1 3.7Å; L83-F121 HydrophobicContact CD1-CG 4.12Å; L83-F121 HydrophobicContact CD1-CZ 4.28Å; K86-F121 HydrophobicContact CG-CZ 4.35Å; F89-F121 HydrophobicContact CD2-CZ 4.46Å; F89-F121 AromaticContact CE2-CE1 3.74Å; F89-F121 HydrophobicContact CE2-CE1 3.74Å; F89-F121 AromaticContact CE2-CZ 3.68Å; F89-F121 HydrophobicContact CE2-CZ 3.68Å; F89-F121 AromaticContact CZ-CE1 3.81Å; F89-F121 HydrophobicContact CZ-CE1 3.81Å; F89-F121 HydrophobicContact CZ-CZ 4.23Å; Y117-F121 AromaticContact CD1-CD1 3.67Å; Y117-F121 HydrophobicContact CD1-CD1 3.67Å; Y117-F121 AromaticContact CD1-CE1 3.67Å; Y117-F121 HydrophobicContact CD1-CE1 3.67Å; Y117-F121 HydrophobicContact CD1-CG 4.1Å; Y117-F121 HydrophobicContact CD1-CZ 4.13Å; Y117-F121 HydrophobicContact CE1-CD1 4.42Å; Y117-F121 HydrophobicContact CE1-CE1 4.22Å; N118-F121 WeakPolarHBondContact O-CD2 3.34Å; N118-F121 WeakPolarHBondContact OD1-CD2 3.38Å; D119-F121 PolarHBondContact O-N 2.96Å
122S96.5Very high95.6Very high10 Ų1052.2 Ų52.27%0.0726%0.26CS..G310 helixtrans-108.920.9173.5-60.90000112I59 K63 D119 N120 Q124I59-S122 VanDerWaalsContact O-CB 3.3Å; I59-S122 WeakPolarHBondContact O-CB 3.38Å; I59-S122 PolarHBondContact O-OG 3.18Å; K63-S122 WeakPolarHBondContact CE-OG 3.39Å; D119-S122 CarbonylContact O-C 3.53Å; D119-S122 WeakPolarHBondContact O-CA 3.43Å; D119-S122 PolarHBondContact O-N 3.28Å; N120-S122 PolarHBondContact O-N 3.3Å; N120-S122 VanDerWaalsContact O-N 3.16Å; S122-Q124 PolarHBondContact O-N 3.34Å
123N95.6Very high95.4Very high34 Ų3457 Ų5718%0.18229%0.292CS..THydrogen-bonded Turntrans54.441-176.5-16622.8000112.2I59 N120 Y125 P131 Y132I59-N123 HydrophobicContact CD1-CB 3.91Å; N120-N123 PolarHBondContact O-N 2.87Å; N123-Y125 VanDerWaalsContact OD1-CE2 3.29Å; N123-Y125 WeakPolarHBondContact OD1-CE2 3.01Å; N123-P131 VanDerWaalsContact O-CA 3.22Å; N123-P131 WeakPolarHBondContact O-CA 3.27Å; N123-Y132 PolarHBondContact OD1-N 3.09Å; N123-Y132 VanDerWaalsContact OD1-N 3.14Å; N123-Y132 PolarHBondContact OD1-O 2.86Å
124Q96.3Very high95.3Very high69 Ų6951.4 Ų51.432%0.32226%0.262SS..  trans-125.3124.3176.4-73.4174.6-1100109.7D119 N120 S122D119-Q124 CarbonylContact C-O 3.48Å; D119-Q124 HydrophobicContact CB-CB 4.03Å; D119-Q124 PolarHBondContact O-N 3Å; N120-Q124 WeakPolarHBondContact CA-O 3.34Å; N120-Q124 PolarHBondContact N-O 3.3Å; N120-Q124 PolarHBondContact ND2-O 2.89Å; N120-Q124 VanDerWaalsContact ND2-O 3.09Å; S122-Q124 PolarHBondContact O-N 3.34Å
125Y96.8Very high95Very high8 Ų852.9 Ų52.93%0.03128%0.277CS..BIsolated β-bridgetrans-127.8160.2-173.9-54.3-92.3000111.8N120 N123 Q129 R130 M143 W152N120-Y125 HydrophobicContact CB-CD1 4.02Å; N120-Y125 HydrophobicContact CB-CE1 3.59Å; N120-Y125 WeakPolarHBondContact ND2-CD1 3.41Å; N123-Y125 VanDerWaalsContact OD1-CE2 3.29Å; N123-Y125 WeakPolarHBondContact OD1-CE2 3.01Å; Y125-Q129 VanDerWaalsContact O-CA 3.25Å; Y125-Q129 WeakPolarHBondContact O-CA 3.2Å; Y125-Q129 PolarHBondContact O-N 3.1Å; Y125-R130 PolarHBondContact N-O 2.9Å; Y125-R130 PolarHBondContact O-N 3.15Å; Y125-M143 HydrophobicContact CG-CE 4.43Å; Y125-M143 HydrophobicContact CG-SD 4.5Å; Y125-W152 HydrophobicContact CD1-CB 3.87Å; Y125-W152 HydrophobicContact CD1-CG 4.23Å
126C97.1Very high94.8Very high0 Ų058.5 Ų58.50%031%0.307CS..THydrogen-bonded Turntrans58.7-174.2177.5-165.80000112.7C128 Q129 M143 W152 F153 H154 H157C126-C128 VanDerWaalsContact C-N 3.28Å; C126-Q129 PolarHBondContact O-NE2 3.46Å; C126-M143 HydrophobicContact CB-CE 4Å; C126-W152 WeakPolarHBondContact CA-O 3.44Å; C126-W152 PolarHBondContact N-O 3.43Å; C126-F153 HydrophobicContact CB-CD1 4.4Å; C126-H154 PolarHBondContact SG-N 3.49Å; C126-H157 WeakPolarHBondContact SG-CB 3.38Å; C126-H157 PolarHBondContact SG-ND1 2.85Å
127T96.2Very high94.5Very high66 Ų6653.4 Ų53.441%0.40528%0.282SS..THydrogen-bonded Turntrans-75.8-17.7170.9490000113Q129 F153 F176 M177T127-Q129 VanDerWaalsContact C-N 3.32Å; T127-F153 HydrophobicContact CG2-CE1 4.15Å; T127-F176 HydrophobicContact CG2-CE1 4.21Å; T127-F176 HydrophobicContact CG2-CZ 3.78Å; T127-M177 HydrophobicContact CG2-CE 3.72Å; T127-M177 HydrophobicContact CG2-SD 3.89Å
128C95.8Very high94.1Very high44 Ų4458 Ų5830%0.29731%0.31SS..THydrogen-bonded Turntrans-80.5-11.3176.664.20000113.8C126 R130 H154C126-C128 VanDerWaalsContact C-N 3.28Å; C128-R130 HydrophobicContact CB-CG 4.39Å; C128-R130 PolarHBondContact O-N 3.41Å; C128-H154 PolarHBondContact SG-CE1 3.26Å; C128-H154 PolarHBondContact SG-ND1 3.16Å
129Q96.3Very high93.6Very high78 Ų7857.9 Ų57.936%0.36432%0.317SS..THydrogen-bonded Turntrans57.333.5176.9-58.1-69.7-60.800113.1Y125 C126 T127Y125-Q129 VanDerWaalsContact O-CA 3.25Å; Y125-Q129 WeakPolarHBondContact O-CA 3.2Å; Y125-Q129 PolarHBondContact O-N 3.1Å; C126-Q129 PolarHBondContact O-NE2 3.46Å; T127-Q129 VanDerWaalsContact C-N 3.32Å
130R95.3Very high93Very high85 Ų8558.5 Ų58.532%0.32132%0.322SS..BIsolated β-bridgetrans-83.6151.6175.8-78.8176.7171.2-91.711110.1Y125 C128 D134 D136Y125-R130 PolarHBondContact N-O 2.9Å; Y125-R130 PolarHBondContact O-N 3.15Å; C128-R130 HydrophobicContact CB-CG 4.39Å; C128-R130 PolarHBondContact O-N 3.41Å; R130-D134 WeakPolarHBondContact CB-OD2 3.32Å; R130-D134 WeakPolarHBondContact CD-OD2 3.37Å; R130-D134 WeakPolarHBondContact CG-OD2 3.43Å; R130-D134 IonicContact CZ-OD2 3.66Å; R130-D134 IonicContact NE-OD2 3.41Å; R130-D134 IonicContact NH1-OD1 2.77Å; R130-D134 IonicContact NH1-OD2 2.85Å; R130-D134 PolarHBondContact NH1-OD2 3.17Å; R130-D136 PolarHBondContact NH1-O 2.96Å
131P94Very high92.5Very high51 Ų5165.4 Ų65.433%0.33135%0.354SS..  trans-70.6173.2172.932.1-34.8000112N123 D134N123-P131 VanDerWaalsContact O-CA 3.22Å; N123-P131 WeakPolarHBondContact O-CA 3.27Å; P131-D134 HydrophobicContact CG-CB 4.11Å; P131-D134 WeakPolarHBondContact O-CB 3.48Å
132Y90.4Very high92.1Very high110 Ų11071.8 Ų71.843%0.43138%0.384SS..SBendtrans-141.7128.4167.3-177.7-90.7000109.6N123 M143N123-Y132 PolarHBondContact OD1-N 3.09Å; N123-Y132 VanDerWaalsContact OD1-N 3.14Å; N123-Y132 PolarHBondContact OD1-O 2.86Å; Y132-M143 HydrophobicContact CD2-CG 4.45Å; Y132-M143 HydrophobicContact CD2-SD 3.92Å; Y132-M143 HydrophobicContact CG-SD 4.38Å
133P88.7Confident92Very high105 Ų10572.2 Ų72.268%0.68239%0.385SS*.SBendcis-65.5148.1-6.828.9-34.8000111.9
134D90.6Very high92Very high23 Ų2371 Ų7112%0.12338%0.379CS..  trans-115.9104.7177.1-177.7-4.4000110.1R130 P131 D136 Y137R130-D134 WeakPolarHBondContact CB-OD2 3.32Å; R130-D134 WeakPolarHBondContact CD-OD2 3.37Å; R130-D134 WeakPolarHBondContact CG-OD2 3.43Å; R130-D134 IonicContact CZ-OD2 3.66Å; R130-D134 IonicContact NE-OD2 3.41Å; R130-D134 IonicContact NH1-OD1 2.77Å; R130-D134 IonicContact NH1-OD2 2.85Å; R130-D134 PolarHBondContact NH1-OD2 3.17Å; P131-D134 HydrophobicContact CG-CB 4.11Å; P131-D134 WeakPolarHBondContact O-CB 3.48Å; D134-D136 PolarHBondContact O-N 2.99Å; D134-D136 VanDerWaalsContact O-N 3.16Å; D134-D136 PolarHBondContact OD1-N 3.09Å; D134-Y137 WeakPolarHBondContact O-CB 3.35Å; D134-Y137 PolarHBondContact O-N 3.17Å; D134-Y137 VanDerWaalsContact O-N 3.16Å
135P88.9Confident92Very high123 Ų12368.7 Ų68.780%0.79937%0.368SS*.THydrogen-bonded Turntrans-61.9-20.2179.7-22.633.5000114.5
136D91.8Very high92Very high131 Ų13168.3 Ų68.370%0.70137%0.366SS*.THydrogen-bonded Turntrans-100.913.8-178.3-63.2-44.7000112R130 D134R130-D136 PolarHBondContact NH1-O 2.96Å; D134-D136 PolarHBondContact O-N 2.99Å; D134-D136 VanDerWaalsContact O-N 3.16Å; D134-D136 PolarHBondContact OD1-N 3.09Å
137Y90.1Very high91.9Very high35 Ų3568.5 Ų68.514%0.13737%0.369CS..  trans-88124.6176.9-168.4-114.5000111.4D134 G139 V140 H154 E156D134-Y137 WeakPolarHBondContact O-CB 3.35Å; D134-Y137 PolarHBondContact O-N 3.17Å; D134-Y137 VanDerWaalsContact O-N 3.16Å; Y137-G139 VanDerWaalsContact CE1-C 3.41Å; Y137-G139 VanDerWaalsContact CE1-CA 3.45Å; Y137-V140 WeakPolarHBondContact CE1-O 3.44Å; Y137-H154 AromaticContact CE1-CD2 3.68Å; Y137-H154 AromaticContact CE2-CE1 3.97Å; Y137-H154 AromaticContact CE2-NE2 3.97Å; Y137-H154 AromaticContact CZ-CD2 3.43Å; Y137-H154 VanDerWaalsContact CZ-CD2 3.43Å; Y137-H154 AromaticContact CZ-CG 3.67Å; Y137-H154 AromaticContact CZ-NE2 3.79Å; Y137-H154 WeakPolarHBondContact OH-CB 3.14Å; Y137-H154 PolarHBondContact OH-CD2 3.37Å; Y137-H154 VanDerWaalsContact OH-CG 3.25Å; Y137-E156 PolarHBondContact OH-OE2 3Å
138D87.9Confident91.9Very high153 Ų15366 Ų6682%0.81835%0.353SS*.  trans-102.63.8-175.861.9-22000113.8
139G85.4Confident92Very high30 Ų3066.2 Ų66.231%0.30935%0.354SS..SBendtrans-99.9-163-179.500000114Y137 E141Y137-G139 VanDerWaalsContact CE1-C 3.41Å; Y137-G139 VanDerWaalsContact CE1-CA 3.45Å; G139-E141 PolarHBondContact O-N 3.36Å
140V85.6Confident92Very high72 Ų7263.2 Ų63.244%0.43634%0.34SS..  trans-74.5116.2174.2179.30000110.1Y137 E142 E156Y137-V140 WeakPolarHBondContact CE1-O 3.44Å; V140-E142 HydrophobicContact CG1-CB 4Å; V140-E142 PolarHBondContact O-N 3.34Å; V140-E156 WeakPolarHBondContact CG2-OE1 3.38Å; V140-E156 PolarHBondContact N-OE1 3.19Å; V140-E156 VanDerWaalsContact N-OE1 3.13Å
141E84.9Confident92.1Very high145 Ų14559.8 Ų59.868%0.67833%0.328SS*.  trans-59.8-29.4-178.1-66.9-177.2171.400113.3G139 M143G139-E141 PolarHBondContact O-N 3.36Å; E141-M143 PolarHBondContact O-N 2.78Å
142E89.2Confident92.3Very high136 Ų13659.8 Ų59.864%0.63632%0.322SS*.  trans-63.4118.3178.6-168.5-175.4165.200111.2V140V140-E142 HydrophobicContact CG1-CB 4Å; V140-E142 PolarHBondContact O-N 3.34Å
143M94.5Very high92.7Very high18 Ų1854.5 Ų54.59%0.08930%0.301CS..EExtended strand (participates in β ladder)trans-103.2156175.4-56.2-169.77700110.8Y125 C126 Y132 E141 W152 F153Y125-M143 HydrophobicContact CG-CE 4.43Å; Y125-M143 HydrophobicContact CG-SD 4.5Å; C126-M143 HydrophobicContact CB-CE 4Å; Y132-M143 HydrophobicContact CD2-CG 4.45Å; Y132-M143 HydrophobicContact CD2-SD 3.92Å; Y132-M143 HydrophobicContact CG-SD 4.38Å; E141-M143 PolarHBondContact O-N 2.78Å; M143-W152 HydrophobicContact CB-CB 4.18Å; M143-W152 HydrophobicContact CB-CE3 3.77Å; M143-W152 HydrophobicContact CE-CB 3.92Å; M143-W152 VanDerWaalsContact O-CZ3 3.23Å; M143-W152 WeakPolarHBondContact O-CZ3 3.23Å; M143-W152 HydrophobicContact SD-CB 4.25Å; M143-F153 WeakPolarHBondContact CA-O 3.43Å
144I95.7Very high93Very high9 Ų949.7 Ų49.75%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-121.4127.8179.9-50.2-179.5000109.9F153 L155 L158 P166 Y170 M173 F276I144-F153 PolarHBondContact N-O 3.47Å; I144-F153 PolarHBondContact O-N 3.15Å; I144-L155 HydrophobicContact CD1-CD1 4.19Å; I144-L158 HydrophobicContact CD1-CD1 4.37Å; I144-P166 HydrophobicContact CD1-CG 3.84Å; I144-Y170 HydrophobicContact CG2-CE2 4.27Å; I144-M173 HydrophobicContact CB-CE 3.87Å; I144-M173 HydrophobicContact CG2-CB 3.78Å; I144-M173 HydrophobicContact CG2-CE 3.62Å; I144-M173 HydrophobicContact CG2-CG 4.11Å; I144-M173 VanDerWaalsContact O-CE 3.23Å; I144-M173 WeakPolarHBondContact O-CE 3.46Å; I144-F276 HydrophobicContact CD1-CE1 3.72Å; I144-F276 HydrophobicContact CD1-CZ 3.95Å; I144-F276 HydrophobicContact CG2-CE1 4.44Å
145Q96.2Very high93.2Very high20 Ų2050.3 Ų50.39%0.09327%0.272CS..EExtended strand (participates in β ladder)trans-78.6130.6179-165.2-176.661.200111.6T85 G147 W152T85-Q145 PolarHBondContact O-NE2 3.48Å; Q145-G147 PolarHBondContact O-N 2.91Å; Q145-W152 HydrophobicContact CB-CD2 3.81Å; Q145-W152 HydrophobicContact CB-CE3 3.98Å; Q145-W152 HydrophobicContact CB-CG 4.44Å; Q145-W152 HydrophobicContact CB-CH2 4.02Å; Q145-W152 HydrophobicContact CB-CZ2 3.82Å; Q145-W152 HydrophobicContact CB-CZ3 4.1Å; Q145-W152 HydrophobicContact CG-CD2 4.27Å; Q145-W152 HydrophobicContact CG-CZ2 4.28Å
146C97.7Very high93.4Very high0 Ų048.8 Ų48.80%026%0.255CS..BIsolated β-bridgetrans-73.7123169.61760000110.9I148 C149 E150 N151 F153 M173 C175C146-I148 PolarHBondContact O-N 3.04Å; C146-I148 PolarHBondContact SG-N 2.8Å; C146-C149 VanDerWaalsContact CB-SG 3.57Å; C146-E150 VanDerWaalsContact O-CA 3.23Å; C146-E150 WeakPolarHBondContact O-CA 3.38Å; C146-E150 PolarHBondContact O-N 3.2Å; C146-N151 PolarHBondContact N-O 3.03Å; C146-F153 HydrophobicContact CB-CD2 4.23Å; C146-F153 HydrophobicContact CB-CE2 3.86Å; C146-M173 CarbonylContact C-O 3.54Å; C146-M173 WeakPolarHBondContact CA-O 3.31Å; C146-M173 HydrophobicContact CB-CE 4.21Å; C146-M173 HydrophobicContact CB-SD 4.41Å; C146-C175 HydrophobicContact CB-CB 4.03Å; C146-C175 PolarHBondContact SG-N 3.4Å; C146-C175 VanDerWaalsContact SG-SG 3.61Å
147G95.3Very high93.6Very high5 Ų545.6 Ų45.65%0.05224%0.235CC..THydrogen-bonded Turntrans-65.2-5.2178.200000115.3R87 Q145 M173R87-G147 PolarHBondContact NH2-O 2.95Å; Q145-G147 PolarHBondContact O-N 2.91Å; G147-M173 PolarHBondContact N-O 3.34Å
148I96.2Very high93.8Very high13 Ų1343.9 Ų43.97%0.06723%0.229CC..THydrogen-bonded Turntrans-105-60.8177.8-47.8-60.4000111.6C146 T174 C178 Y182 L185 W281 F302 L303C146-I148 PolarHBondContact O-N 3.04Å; C146-I148 PolarHBondContact SG-N 2.8Å; I148-T174 HydrophobicContact CD1-CG2 4.48Å; I148-T174 HydrophobicContact CG1-CG2 3.51Å; I148-C178 HydrophobicContact CB-CB 4.09Å; I148-C178 HydrophobicContact CG1-CB 4.22Å; I148-C178 HydrophobicContact CG2-CB 4.28Å; I148-Y182 HydrophobicContact CG2-CD2 4.41Å; I148-Y182 HydrophobicContact CG2-CE2 3.93Å; I148-L185 HydrophobicContact CD1-CD1 4.4Å; I148-L185 HydrophobicContact CG1-CD1 4.32Å; I148-W281 HydrophobicContact CD1-CH2 4.17Å; I148-W281 HydrophobicContact CD1-CZ2 4.4Å; I148-F302 HydrophobicContact CG2-CZ 4.37Å; I148-L303 HydrophobicContact CD1-CD1 4.22Å; I148-L303 HydrophobicContact CD1-CD2 3.51Å; I148-L303 HydrophobicContact CD1-CG 4.42Å
149C97Very high94.2Very high48 Ų4839.5 Ų39.532%0.32421%0.205SC..THydrogen-bonded Turntrans-91.1-4.7-175.866.30000114.3N118 C146 N151N118-C149 PolarHBondContact ND2-O 2.92Å; C146-C149 VanDerWaalsContact CB-SG 3.57Å; C149-N151 PolarHBondContact O-N 2.92Å
150E97.2Very high94.7Very high15 Ų1539.6 Ų39.67%0.0720%0.198CC..  trans55.317.3-178.1-56.6-171.6135.700114.1R47 K86 R87 N118 N120 C146R47-E150 IonicContact CZ-OE1 2.7Å; R47-E150 IonicContact NH1-OE1 3.27Å; R47-E150 PolarHBondContact NH1-OE1 2.87Å; R47-E150 IonicContact NH2-OE1 2.85Å; R47-E150 PolarHBondContact NH2-OE1 2.98Å; K86-E150 WeakPolarHBondContact CA-OE1 3.41Å; K86-E150 HydrophobicContact CD-CB 3.85Å; K86-E150 HydrophobicContact CD-CG 4.45Å; K86-E150 WeakPolarHBondContact CD-OE2 3.41Å; K86-E150 PolarHBondContact NZ-O 2.95Å; R87-E150 VanDerWaalsContact CZ-CD 3.49Å; R87-E150 IonicContact CZ-OE1 3.31Å; R87-E150 PolarHBondContact N-OE1 3.35Å; R87-E150 PolarHBondContact N-OE2 2.95Å; R87-E150 VanDerWaalsContact NE-CD 3.26Å; R87-E150 IonicContact NE-OE1 2.79Å; R87-E150 PolarHBondContact NE-OE1 2.96Å; R87-E150 VanDerWaalsContact NE-OE1 3.11Å; R87-E150 IonicContact NE-OE2 3.29Å; R87-E150 IonicContact NH1-OE1 3.03Å; R87-E150 IonicContact NH2-OE1 3.83Å; R87-E150 PolarHBondContact NH2-OE1 2.85Å; R87-E150 VanDerWaalsContact NH2-OE1 3.11Å; N118-E150 VanDerWaalsContact ND2-C 3.26Å; N118-E150 PolarHBondContact ND2-O 3.31Å; N118-E150 VanDerWaalsContact ND2-O 3.09Å; N120-E150 PolarHBondContact OD1-O 2.86Å; C146-E150 VanDerWaalsContact O-CA 3.23Å; C146-E150 WeakPolarHBondContact O-CA 3.38Å; C146-E150 PolarHBondContact O-N 3.2Å
151N97.7Very high95Very high13 Ų1339.8 Ų39.87%0.0720%0.197CC..  trans-84147.1170.1-168.19.4000109.2N118 N120 C146 C149 F153N118-N151 PolarHBondContact ND2-N 3.41Å; N120-N151 PolarHBondContact ND2-OD1 3.02Å; N120-N151 WeakPolarHBondContact OD1-CA 3.38Å; C146-N151 PolarHBondContact N-O 3.03Å; C149-N151 PolarHBondContact O-N 2.92Å; N151-F153 HydrophobicContact CB-CE2 3.76Å; N151-F153 HydrophobicContact CB-CZ 4.03Å; N151-F153 WeakPolarHBondContact O-CD2 3.23Å; N151-F153 WeakPolarHBondContact O-CE2 3.43Å
152W97.6Very high95.2Very high51 Ų5143.4 Ų43.419%0.19321%0.21CC..EExtended strand (participates in β ladder)trans-93.5144.4176.1-6783.6000110.7Y84 Y125 C126 M143 Q145Y84-W152 HydrophobicContact CD1-CH2 4.24Å; Y84-W152 AromaticContact CD1-CZ2 3.63Å; Y84-W152 HydrophobicContact CD1-CZ2 3.63Å; Y84-W152 HydrophobicContact CD2-CH2 4.45Å; Y84-W152 HydrophobicContact CD2-CZ2 4.15Å; Y84-W152 HydrophobicContact CE1-CZ2 4.35Å; Y84-W152 HydrophobicContact CG-CH2 4.2Å; Y84-W152 AromaticContact CG-CZ2 3.53Å; Y84-W152 HydrophobicContact CG-CZ2 3.53Å; Y125-W152 HydrophobicContact CD1-CB 3.87Å; Y125-W152 HydrophobicContact CD1-CG 4.23Å; C126-W152 WeakPolarHBondContact CA-O 3.44Å; C126-W152 PolarHBondContact N-O 3.43Å; M143-W152 HydrophobicContact CB-CB 4.18Å; M143-W152 HydrophobicContact CB-CE3 3.77Å; M143-W152 HydrophobicContact CE-CB 3.92Å; M143-W152 VanDerWaalsContact O-CZ3 3.23Å; M143-W152 WeakPolarHBondContact O-CZ3 3.23Å; M143-W152 HydrophobicContact SD-CB 4.25Å; Q145-W152 HydrophobicContact CB-CD2 3.81Å; Q145-W152 HydrophobicContact CB-CE3 3.98Å; Q145-W152 HydrophobicContact CB-CG 4.44Å; Q145-W152 HydrophobicContact CB-CH2 4.02Å; Q145-W152 HydrophobicContact CB-CZ2 3.82Å; Q145-W152 HydrophobicContact CB-CZ3 4.1Å; Q145-W152 HydrophobicContact CG-CD2 4.27Å; Q145-W152 HydrophobicContact CG-CZ2 4.28Å
153F97.7Very high95.2Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-133.9137.9-177.1-67.2-91.2000110.9C126 T127 M143 I144 C146 N151 L158 M173 C175 M177C126-F153 HydrophobicContact CB-CD1 4.4Å; T127-F153 HydrophobicContact CG2-CE1 4.15Å; M143-F153 WeakPolarHBondContact CA-O 3.43Å; I144-F153 PolarHBondContact N-O 3.47Å; I144-F153 PolarHBondContact O-N 3.15Å; C146-F153 HydrophobicContact CB-CD2 4.23Å; C146-F153 HydrophobicContact CB-CE2 3.86Å; N151-F153 HydrophobicContact CB-CE2 3.76Å; N151-F153 HydrophobicContact CB-CZ 4.03Å; N151-F153 WeakPolarHBondContact O-CD2 3.23Å; N151-F153 WeakPolarHBondContact O-CE2 3.43Å; F153-L158 HydrophobicContact CB-CD2 3.47Å; F153-L158 VanDerWaalsContact CB-CD2 3.47Å; F153-L158 HydrophobicContact CB-CG 4.08Å; F153-L158 HydrophobicContact CD1-CD2 4.32Å; F153-L158 HydrophobicContact CD2-CD2 4.36Å; F153-L158 HydrophobicContact CG-CD2 3.81Å; F153-M173 HydrophobicContact CD2-CE 4.24Å; F153-C175 HydrophobicContact CD2-CB 3.99Å; F153-C175 HydrophobicContact CE1-CB 4.37Å; F153-C175 HydrophobicContact CE2-CB 3.62Å; F153-C175 HydrophobicContact CG-CB 4.5Å; F153-C175 HydrophobicContact CZ-CB 3.85Å; F153-M177 HydrophobicContact CE1-CE 3.37Å; F153-M177 HydrophobicContact CZ-CE 3.39Å
154H95.5Very high95Very high4 Ų441.7 Ų41.72%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-63141.6161.9-54.3115.8000109.8C126 C128 Y137 E156 H157C126-H154 PolarHBondContact SG-N 3.49Å; C128-H154 PolarHBondContact SG-CE1 3.26Å; C128-H154 PolarHBondContact SG-ND1 3.16Å; Y137-H154 AromaticContact CE1-CD2 3.68Å; Y137-H154 AromaticContact CE2-CE1 3.97Å; Y137-H154 AromaticContact CE2-NE2 3.97Å; Y137-H154 AromaticContact CZ-CD2 3.43Å; Y137-H154 VanDerWaalsContact CZ-CD2 3.43Å; Y137-H154 AromaticContact CZ-CG 3.67Å; Y137-H154 AromaticContact CZ-NE2 3.79Å; Y137-H154 WeakPolarHBondContact OH-CB 3.14Å; Y137-H154 PolarHBondContact OH-CD2 3.37Å; Y137-H154 VanDerWaalsContact OH-CG 3.25Å; H154-E156 PolarHBondContact O-N 3.4Å; H154-H157 HydrophobicContact CB-CB 4.48Å; H154-H157 AromaticContact ND1-CE1 3.99Å; H154-H157 AromaticContact ND1-ND1 3.58Å; H154-H157 PolarHBondContact O-N 3.46Å
155L94.3Very high94.8Very high35 Ų3549 Ų4918%0.18326%0.256CS..G310 helixtrans-56.6-38.6-178.8-178.259.4000111.9I144 H157 L158 F164 P166 F276I144-L155 HydrophobicContact CD1-CD1 4.19Å; L155-H157 PolarHBondContact O-N 3.36Å; L155-L158 HydrophobicContact CD1-CD1 4.13Å; L155-L158 WeakPolarHBondContact O-CB 3.39Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-F164 HydrophobicContact CD1-CD1 3.99Å; L155-F164 HydrophobicContact CD1-CE1 4.26Å; L155-P166 HydrophobicContact CD1-CG 3.77Å; L155-P166 HydrophobicContact CD2-CG 4.35Å; L155-F276 HydrophobicContact CD1-CZ 4.24Å
156E94Very high94.7Very high92 Ų9249.7 Ų49.743%0.4326%0.262SS..G310 helixtrans-66.5-18.9-179.6-56.186169.900113Y137 V140 H154Y137-E156 PolarHBondContact OH-OE2 3Å; V140-E156 WeakPolarHBondContact CG2-OE1 3.38Å; V140-E156 PolarHBondContact N-OE1 3.19Å; V140-E156 VanDerWaalsContact N-OE1 3.13Å; H154-E156 PolarHBondContact O-N 3.4Å
157H95.1Very high94.4Very high63 Ų6351 Ų5129%0.29227%0.27SS..G310 helixtrans-105.217-178.5-62.3159.7000113C126 H154 L155 F176C126-H157 WeakPolarHBondContact SG-CB 3.38Å; C126-H157 PolarHBondContact SG-ND1 2.85Å; H154-H157 HydrophobicContact CB-CB 4.48Å; H154-H157 AromaticContact ND1-CE1 3.99Å; H154-H157 AromaticContact ND1-ND1 3.58Å; H154-H157 PolarHBondContact O-N 3.46Å; L155-H157 PolarHBondContact O-N 3.36Å; H157-F176 WeakPolarHBondContact O-CE1 3.49Å
158L96.1Very high94.1Very high0 Ų060.5 Ų60.50%031%0.314CS..SBendtrans-94.412.3179-72.3178.3000114.6I144 F153 L155 M160 M173 C175 S274 F276I144-L158 HydrophobicContact CD1-CD1 4.37Å; F153-L158 HydrophobicContact CB-CD2 3.47Å; F153-L158 VanDerWaalsContact CB-CD2 3.47Å; F153-L158 HydrophobicContact CB-CG 4.08Å; F153-L158 HydrophobicContact CD1-CD2 4.32Å; F153-L158 HydrophobicContact CD2-CD2 4.36Å; F153-L158 HydrophobicContact CG-CD2 3.81Å; L155-L158 HydrophobicContact CD1-CD1 4.13Å; L155-L158 WeakPolarHBondContact O-CB 3.39Å; L155-L158 PolarHBondContact O-N 2.93Å; L158-M160 VanDerWaalsContact C-N 3.28Å; L158-M160 HydrophobicContact CB-CG 3.86Å; L158-M160 PolarHBondContact O-N 3.27Å; L158-M173 HydrophobicContact CD1-CE 4.27Å; L158-M173 HydrophobicContact CD1-SD 4.49Å; L158-M173 HydrophobicContact CD2-CE 3.88Å; L158-M173 HydrophobicContact CD2-SD 3.92Å; L158-C175 HydrophobicContact CD2-CB 4.33Å; L158-S274 WeakPolarHBondContact CD2-OG 3.47Å; L158-S274 VanDerWaalsContact O-CB 3.29Å; L158-S274 WeakPolarHBondContact O-CB 3.36Å; L158-S274 PolarHBondContact O-N 3.25Å; L158-S274 PolarHBondContact O-OG 2.86Å; L158-F276 HydrophobicContact CD1-CE2 4.28Å; L158-F276 HydrophobicContact CD1-CZ 3.73Å
159N95.9Very high93.7Very high60 Ų6064.9 Ų64.932%0.32134%0.337SS..SBendtrans56.839.1-172.7-79.82.5000113F176 N270 V272 P273N159-F176 HydrophobicContact CB-CB 4.14Å; N159-F176 HydrophobicContact CB-CG 4.21Å; N159-F176 WeakPolarHBondContact ND2-CD2 3.13Å; N159-N270 PolarHBondContact ND2-O 2.82Å; N159-V272 VanDerWaalsContact CB-O 3.28Å; N159-V272 WeakPolarHBondContact CB-O 3.41Å; N159-V272 PolarHBondContact ND2-O 3.18Å; N159-P273 WeakPolarHBondContact O-CA 3.4Å; N159-P273 WeakPolarHBondContact O-CB 3.03Å
160M94.3Very high93.5Very high32 Ų3266 Ų6616%0.15834%0.335CS..PPolyproline II helixtrans-101.3159.6177-55.3-53.6-70.600111.2L158 F164 P273 F276L158-M160 VanDerWaalsContact C-N 3.28Å; L158-M160 HydrophobicContact CB-CG 3.86Å; L158-M160 PolarHBondContact O-N 3.27Å; M160-F164 HydrophobicContact CB-CB 3.79Å; M160-F164 HydrophobicContact CB-CD1 3.83Å; M160-F164 HydrophobicContact CB-CG 3.81Å; M160-F164 HydrophobicContact CE-CD1 3.86Å; M160-F164 HydrophobicContact CE-CD2 3.56Å; M160-F164 HydrophobicContact CE-CE1 3.69Å; M160-F164 HydrophobicContact CE-CE2 3.37Å; M160-F164 HydrophobicContact CE-CG 3.81Å; M160-F164 HydrophobicContact CE-CZ 3.45Å; M160-F164 VanDerWaalsContact CE-CZ 3.45Å; M160-F164 HydrophobicContact CG-CD1 3.82Å; M160-F164 HydrophobicContact CG-CE1 4.18Å; M160-F164 HydrophobicContact CG-CG 4.21Å; M160-P273 HydrophobicContact SD-CB 3.8Å; M160-F276 HydrophobicContact CE-CD2 4.47Å; M160-F276 HydrophobicContact CE-CE2 4.34Å; M160-F276 HydrophobicContact CG-CE2 4.47Å; M160-F276 HydrophobicContact SD-CE2 4.42Å
161D92.2Very high93.1Very high77 Ų7768.8 Ų68.841%0.41235%0.35SS..PPolyproline II helixtrans-62.4150.9174-76.3-27.8000111.2G163 F164 S202D161-G163 PolarHBondContact O-N 2.92Å; D161-F164 WeakPolarHBondContact O-CB 3.26Å; D161-F164 PolarHBondContact O-N 3.11Å; D161-S202 PolarHBondContact OD1-OG 3.26Å; D161-S202 WeakPolarHBondContact OD2-CB 3.27Å; D161-S202 PolarHBondContact OD2-OG 2.88Å
162K89.9Confident92.9Very high220 Ų22068.9 Ų68.996%0.95735%0.35SS*.THydrogen-bonded Turntrans-60.7128.3177-68.8-172.3177.9-172.70110.4F164K162-F164 VanDerWaalsContact C-N 3.3Å
163G88.3Confident92.8Very high77 Ų7766.5 Ų66.579%0.79434%0.342SS*.THydrogen-bonded Turntrans80.19.4-17700000114D161 Q165D161-G163 PolarHBondContact O-N 2.92Å; G163-Q165 PolarHBondContact O-N 3.47Å
164F91.7Very high92.8Very high41 Ų4166.5 Ų66.518%0.1834%0.342CS..  trans-56.3134.9167.8174.5-95.6000110.3L155 M160 D161 K162 P166 F276L155-F164 HydrophobicContact CD1-CD1 3.99Å; L155-F164 HydrophobicContact CD1-CE1 4.26Å; M160-F164 HydrophobicContact CB-CB 3.79Å; M160-F164 HydrophobicContact CB-CD1 3.83Å; M160-F164 HydrophobicContact CB-CG 3.81Å; M160-F164 HydrophobicContact CE-CD1 3.86Å; M160-F164 HydrophobicContact CE-CD2 3.56Å; M160-F164 HydrophobicContact CE-CE1 3.69Å; M160-F164 HydrophobicContact CE-CE2 3.37Å; M160-F164 HydrophobicContact CE-CG 3.81Å; M160-F164 HydrophobicContact CE-CZ 3.45Å; M160-F164 VanDerWaalsContact CE-CZ 3.45Å; M160-F164 HydrophobicContact CG-CD1 3.82Å; M160-F164 HydrophobicContact CG-CE1 4.18Å; M160-F164 HydrophobicContact CG-CG 4.21Å; D161-F164 WeakPolarHBondContact O-CB 3.26Å; D161-F164 PolarHBondContact O-N 3.11Å; K162-F164 VanDerWaalsContact C-N 3.3Å; F164-P166 HydrophobicContact CE1-CB 4.48Å; F164-P166 HydrophobicContact CE1-CG 4.18Å; F164-F276 HydrophobicContact CD1-CE2 4.49Å; F164-F276 AromaticContact CE1-CD2 3.89Å; F164-F276 HydrophobicContact CE1-CD2 3.89Å; F164-F276 AromaticContact CE1-CE2 3.44Å; F164-F276 HydrophobicContact CE1-CE2 3.44Å; F164-F276 VanDerWaalsContact CE1-CE2 3.44Å; F164-F276 AromaticContact CE1-CZ 3.89Å; F164-F276 HydrophobicContact CE1-CZ 3.89Å; F164-F276 AromaticContact CZ-CD2 3.77Å; F164-F276 HydrophobicContact CZ-CD2 3.77Å; F164-F276 AromaticContact CZ-CE2 3.83Å; F164-F276 HydrophobicContact CZ-CE2 3.83Å; F164-F276 HydrophobicContact CZ-CG 4.47Å
165Q91.8Very high92.9Very high162 Ų16266.3 Ų66.376%0.75734%0.341SS*.  trans-116130.7170.5-68.8-176.7-37.800108.2G163G163-Q165 PolarHBondContact O-N 3.47Å
166P92.4Very high93.1Very high36 Ų3666.1 Ų66.123%0.23434%0.338CS..  trans-53.4140.7169.8-25.435.4000110.8I144 L155 F164 Y170 F276I144-P166 HydrophobicContact CD1-CG 3.84Å; L155-P166 HydrophobicContact CD1-CG 3.77Å; L155-P166 HydrophobicContact CD2-CG 4.35Å; F164-P166 HydrophobicContact CE1-CB 4.48Å; F164-P166 HydrophobicContact CE1-CG 4.18Å; P166-Y170 HydrophobicContact CB-CE1 4.22Å; P166-F276 HydrophobicContact CB-CD1 3.98Å; P166-F276 HydrophobicContact CB-CE1 3.68Å; P166-F276 HydrophobicContact CB-CZ 4.26Å; P166-F276 HydrophobicContact CG-CE1 3.83Å; P166-F276 HydrophobicContact CG-CZ 4.02Å
167P92.1Very high93.3Very high26 Ų2665.4 Ų65.417%0.16934%0.336CS..  trans-55.5142.7168.6-2132.2000109.9D169 Y170 F276 I278P167-D169 PolarHBondContact O-N 3.22Å; P167-Y170 WeakPolarHBondContact O-CD1 3.18Å; P167-F276 HydrophobicContact CG-CB 4.46Å; P167-I278 HydrophobicContact CB-CD1 4.14Å; P167-I278 HydrophobicContact CB-CG1 4.26Å; P167-I278 HydrophobicContact CG-CD1 3.99Å; P167-I278 HydrophobicContact CG-CG1 4.2Å
168E88.2Confident93.4Very high205 Ų20562.8 Ų62.896%0.95833%0.325SS*.THydrogen-bonded Turntrans-66.8-23.5179.8-66.6-179.8174.600113
169D88.3Confident93.4Very high105 Ų10562.8 Ų62.856%0.56133%0.325SS*.THydrogen-bonded Turntrans-109.116.7-171.366.8-28.4000114.1P167P167-D169 PolarHBondContact O-N 3.22Å
170Y92.3Very high93.3Very high71 Ų7162.4 Ų62.428%0.27832%0.32SS..  trans-66.1142.817481.2-71.1000111.8I144 P166 P167 M173 F276I144-Y170 HydrophobicContact CG2-CE2 4.27Å; P166-Y170 HydrophobicContact CB-CE1 4.22Å; P167-Y170 WeakPolarHBondContact O-CD1 3.18Å; Y170-M173 HydrophobicContact CE2-CB 4.22Å; Y170-F276 HydrophobicContact CD1-CD1 4.42Å; Y170-F276 AromaticContact CD2-CD1 3.64Å; Y170-F276 HydrophobicContact CD2-CD1 3.64Å; Y170-F276 HydrophobicContact CD2-CE1 4.42Å; Y170-F276 AromaticContact CE2-CD1 3.85Å; Y170-F276 HydrophobicContact CE2-CD1 3.85Å; Y170-F276 HydrophobicContact CE2-CE1 4.18Å; Y170-F276 HydrophobicContact CG-CB 4.48Å; Y170-F276 AromaticContact CG-CD1 3.92Å; Y170-F276 HydrophobicContact CG-CD1 3.92Å
171N89.6Confident93.4Very high74 Ų7466.8 Ų66.840%0.39634%0.339SS..  trans-92.1-41.7179.5-65.3-64.3000112.7W277 I278N171-W277 PolarHBondContact N-O 2.88Å; N171-I278 PolarHBondContact ND2-O 3.03Å
172E93.7Very high93.5Very high15 Ų1564.1 Ų64.17%0.0732%0.323CS..EExtended strand (participates in β ladder)trans-146.8150.9-177.5-70.1-176.7-140.400110W277 R282 S309E172-W277 VanDerWaalsContact O-CD1 3.27Å; E172-W277 PolarHBondContact O-N 2.63Å; E172-R282 IonicContact OE1-CZ 3.34Å; E172-R282 IonicContact OE1-NE 3.3Å; E172-R282 PolarHBondContact OE1-NE 2.79Å; E172-R282 IonicContact OE1-NH2 3Å; E172-R282 PolarHBondContact OE1-NH2 3.14Å; E172-R282 IonicContact OE2-CZ 2.98Å; E172-R282 IonicContact OE2-NE 3.7Å; E172-R282 PolarHBondContact OE2-NE 3.42Å; E172-R282 IonicContact OE2-NH2 3.64Å; E172-R282 PolarHBondContact OE2-NH2 3.3Å; E172-S309 VanDerWaalsContact OE1-CB 3.27Å; E172-S309 WeakPolarHBondContact OE1-CB 3.01Å
173M95.9Very high93.5Very high2 Ų253.7 Ų53.71%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-111.1139.2170.4179.7-81.3-70.700110.1I144 C146 G147 F153 L158 Y170 C175 V275 F276I144-M173 HydrophobicContact CB-CE 3.87Å; I144-M173 HydrophobicContact CG2-CB 3.78Å; I144-M173 HydrophobicContact CG2-CE 3.62Å; I144-M173 HydrophobicContact CG2-CG 4.11Å; I144-M173 VanDerWaalsContact O-CE 3.23Å; I144-M173 WeakPolarHBondContact O-CE 3.46Å; C146-M173 CarbonylContact C-O 3.54Å; C146-M173 WeakPolarHBondContact CA-O 3.31Å; C146-M173 HydrophobicContact CB-CE 4.21Å; C146-M173 HydrophobicContact CB-SD 4.41Å; G147-M173 PolarHBondContact N-O 3.34Å; F153-M173 HydrophobicContact CD2-CE 4.24Å; L158-M173 HydrophobicContact CD1-CE 4.27Å; L158-M173 HydrophobicContact CD1-SD 4.49Å; L158-M173 HydrophobicContact CD2-CE 3.88Å; L158-M173 HydrophobicContact CD2-SD 3.92Å; Y170-M173 HydrophobicContact CE2-CB 4.22Å; M173-C175 HydrophobicContact SD-CB 4.17Å; M173-C175 PolarHBondContact SD-N 3.14Å; M173-C175 VanDerWaalsContact SD-N 3.36Å; M173-V275 CarbonylContact C-O 3.56Å; M173-V275 VanDerWaalsContact CA-O 3.31Å; M173-V275 WeakPolarHBondContact CA-O 3.47Å; M173-F276 HydrophobicContact CB-CD1 4.14Å; M173-F276 HydrophobicContact CB-CE1 4.13Å; M173-F276 HydrophobicContact CG-CD1 4.14Å; M173-F276 HydrophobicContact CG-CE1 3.85Å; M173-F276 HydrophobicContact CG-CE2 4.3Å; M173-F276 HydrophobicContact CG-CG 4.48Å; M173-F276 HydrophobicContact CG-CZ 3.95Å
174T97.5Very high93.7Very high0 Ų050.2 Ų50.20%024%0.241CC..EExtended strand (participates in β ladder)trans-118.4121.8168-61.20000110.4I148 C178 I179 L185 S274 V275 W277I148-T174 HydrophobicContact CD1-CG2 4.48Å; I148-T174 HydrophobicContact CG1-CG2 3.51Å; T174-C178 HydrophobicContact CG2-CB 3.63Å; T174-I179 HydrophobicContact CG2-CD1 3.51Å; T174-I179 HydrophobicContact CG2-CG1 3.95Å; T174-L185 HydrophobicContact CG2-CD1 4.17Å; T174-S274 WeakPolarHBondContact O-CA 3.41Å; T174-S274 WeakPolarHBondContact O-CB 3.42Å; T174-V275 HydrophobicContact CG2-CG1 4.48Å; T174-V275 PolarHBondContact N-O 3.21Å; T174-V275 PolarHBondContact O-N 2.93Å; T174-W277 PolarHBondContact OG1-NE1 3.01Å
175C98.2Very high93.8Very high0 Ų048.2 Ų48.20%023%0.232CC..  trans-68.6152.3-175.673.60000112.1C146 F153 L158 M173 M177 C178 I179 S274C146-C175 HydrophobicContact CB-CB 4.03Å; C146-C175 PolarHBondContact SG-N 3.4Å; C146-C175 VanDerWaalsContact SG-SG 3.61Å; F153-C175 HydrophobicContact CD2-CB 3.99Å; F153-C175 HydrophobicContact CE1-CB 4.37Å; F153-C175 HydrophobicContact CE2-CB 3.62Å; F153-C175 HydrophobicContact CG-CB 4.5Å; F153-C175 HydrophobicContact CZ-CB 3.85Å; L158-C175 HydrophobicContact CD2-CB 4.33Å; M173-C175 HydrophobicContact SD-CB 4.17Å; M173-C175 PolarHBondContact SD-N 3.14Å; M173-C175 VanDerWaalsContact SD-N 3.36Å; C175-M177 PolarHBondContact O-N 3.17Å; C175-M177 VanDerWaalsContact O-N 3.11Å; C175-C178 WeakPolarHBondContact O-CB 3.42Å; C175-C178 PolarHBondContact O-N 2.74Å; C175-C178 VanDerWaalsContact SG-SG 3.65Å; C175-I179 PolarHBondContact O-N 3.11Å; C175-S274 WeakPolarHBondContact CA-OG 3.3Å
176F97.3Very high93.9Very high30 Ų3040.6 Ų40.613%0.13220%0.196CC..Hα-helixtrans-52.9-34179.670.7-82000113.4T127 H157 N159 I179 K180 V272 S274T127-F176 HydrophobicContact CG2-CE1 4.21Å; T127-F176 HydrophobicContact CG2-CZ 3.78Å; H157-F176 WeakPolarHBondContact O-CE1 3.49Å; N159-F176 HydrophobicContact CB-CB 4.14Å; N159-F176 HydrophobicContact CB-CG 4.21Å; N159-F176 WeakPolarHBondContact ND2-CD2 3.13Å; F176-I179 PolarHBondContact O-N 2.85Å; F176-K180 VanDerWaalsContact O-CB 3.26Å; F176-K180 WeakPolarHBondContact O-CB 3.5Å; F176-K180 PolarHBondContact O-N 2.77Å; F176-V272 HydrophobicContact CB-CG1 4.2Å; F176-V272 VanDerWaalsContact CB-O 3.31Å; F176-V272 WeakPolarHBondContact CB-O 3.44Å; F176-S274 PolarHBondContact N-OG 2.85Å
177M97.4Very high93.7Very high77 Ų7739 Ų3938%0.37919%0.186SC..Hα-helixtrans-66.3-38.5176.2-66.7-172-68.800112.3T127 F153 C175 K181T127-M177 HydrophobicContact CG2-CE 3.72Å; T127-M177 HydrophobicContact CG2-SD 3.89Å; F153-M177 HydrophobicContact CE1-CE 3.37Å; F153-M177 HydrophobicContact CZ-CE 3.39Å; C175-M177 PolarHBondContact O-N 3.17Å; C175-M177 VanDerWaalsContact O-N 3.11Å; M177-K181 VanDerWaalsContact O-CB 3.25Å; M177-K181 WeakPolarHBondContact O-CB 3.45Å; M177-K181 PolarHBondContact O-N 3.2Å
178C97.9Very high93.6Very high9 Ų938.5 Ų38.56%0.06118%0.181CC..Hα-helixtrans-70.5-39.6175.4-750000111.4I148 T174 C175 K181 Y182I148-C178 HydrophobicContact CB-CB 4.09Å; I148-C178 HydrophobicContact CG1-CB 4.22Å; I148-C178 HydrophobicContact CG2-CB 4.28Å; T174-C178 HydrophobicContact CG2-CB 3.63Å; C175-C178 WeakPolarHBondContact O-CB 3.42Å; C175-C178 PolarHBondContact O-N 2.74Å; C175-C178 VanDerWaalsContact SG-SG 3.65Å; C178-K181 PolarHBondContact O-N 2.88Å; C178-Y182 VanDerWaalsContact O-CD2 3.28Å; C178-Y182 WeakPolarHBondContact O-CD2 3.37Å; C178-Y182 PolarHBondContact O-N 2.93Å
179I96.3Very high93.9Very high0 Ų028.8 Ų28.80%014%0.136CC..Hα-helixtrans-61.9-44.5173-60-54.8000111.1T174 C175 F176 K181 Y182 L185 F186 F196 L261 V272 V275T174-I179 HydrophobicContact CG2-CD1 3.51Å; T174-I179 HydrophobicContact CG2-CG1 3.95Å; C175-I179 PolarHBondContact O-N 3.11Å; F176-I179 PolarHBondContact O-N 2.85Å; I179-K181 VanDerWaalsContact C-N 3.34Å; I179-K181 PolarHBondContact O-N 3.47Å; I179-Y182 CarbonylContact O-C 3.55Å; I179-Y182 PolarHBondContact O-N 3.12Å; I179-L185 HydrophobicContact CD1-CB 3.55Å; I179-L185 HydrophobicContact CD1-CD1 4.26Å; I179-F186 HydrophobicContact CG2-CB 3.74Å; I179-F186 HydrophobicContact CG2-CD2 4.05Å; I179-F186 HydrophobicContact CG2-CG 4.42Å; I179-F196 HydrophobicContact CG2-CE2 4.44Å; I179-F196 HydrophobicContact CG2-CZ 4.16Å; I179-L261 HydrophobicContact CG2-CD1 4.28Å; I179-V272 HydrophobicContact CB-CG2 4.44Å; I179-V272 HydrophobicContact CG2-CG2 3.63Å; I179-V275 HydrophobicContact CD1-CG1 3.66Å; I179-V275 HydrophobicContact CG1-CG1 4.12Å
180K94.8Very high93.9Very high51 Ų5124.1 Ų24.122%0.22211%0.11CC..Hα-helixtrans-58.2-45.3173.5175.7170.7-176.1171.60112.1F176 S260 L261 D262 P269 N270 V272F176-K180 VanDerWaalsContact O-CB 3.26Å; F176-K180 WeakPolarHBondContact O-CB 3.5Å; F176-K180 PolarHBondContact O-N 2.77Å; K180-S260 WeakPolarHBondContact O-CB 3.22Å; K180-L261 PolarHBondContact O-N 2.94Å; K180-D262 VanDerWaalsContact CE-CG 3.49Å; K180-D262 WeakPolarHBondContact CE-OD1 3.29Å; K180-D262 VanDerWaalsContact CE-OD2 3.22Å; K180-D262 WeakPolarHBondContact CE-OD2 3.26Å; K180-D262 IonicContact NZ-OD1 2.63Å; K180-D262 PolarHBondContact NZ-OD1 2.91Å; K180-P269 HydrophobicContact CD-CB 3.87Å; K180-P269 HydrophobicContact CG-CB 3.99Å; K180-N270 PolarHBondContact NZ-OD1 3.27Å; K180-V272 HydrophobicContact CB-CG1 4.29Å
181K94.9Very high93.7Very high125 Ų12522.2 Ų22.254%0.54311%0.105SC..Hα-helixtrans-67.5-36.4-178.1-174.1178.1179.6-168.20112.8M177 C178 I179 S260M177-K181 VanDerWaalsContact O-CB 3.25Å; M177-K181 WeakPolarHBondContact O-CB 3.45Å; M177-K181 PolarHBondContact O-N 3.2Å; C178-K181 PolarHBondContact O-N 2.88Å; I179-K181 VanDerWaalsContact C-N 3.34Å; I179-K181 PolarHBondContact O-N 3.47Å; K181-S260 WeakPolarHBondContact O-CA 3.27Å
182Y94.7Very high93.6Very high20 Ų2020.6 Ų20.68%0.07810%0.098CC..  trans-121.392.6-172.8-56.7-62.6000110.9I148 C178 I179 F184 L185 L298 V300I148-Y182 HydrophobicContact CG2-CD2 4.41Å; I148-Y182 HydrophobicContact CG2-CE2 3.93Å; C178-Y182 VanDerWaalsContact O-CD2 3.28Å; C178-Y182 WeakPolarHBondContact O-CD2 3.37Å; C178-Y182 PolarHBondContact O-N 2.93Å; I179-Y182 CarbonylContact O-C 3.55Å; I179-Y182 PolarHBondContact O-N 3.12Å; Y182-F184 HydrophobicContact CD1-CE1 4.41Å; Y182-F184 HydrophobicContact CG-CE1 4.24Å; Y182-F184 PolarHBondContact O-N 2.99Å; Y182-L185 HydrophobicContact CD2-CD1 3.93Å; Y182-L185 HydrophobicContact CG-CD1 4.28Å; Y182-L185 WeakPolarHBondContact O-CB 3.49Å; Y182-L185 PolarHBondContact O-N 3.43Å; Y182-L298 HydrophobicContact CD1-CB 4.38Å; Y182-L298 HydrophobicContact CD1-CD1 4.01Å; Y182-L298 HydrophobicContact CD1-CD2 4.3Å; Y182-L298 HydrophobicContact CD1-CG 4.47Å; Y182-L298 HydrophobicContact CE1-CB 4.02Å; Y182-L298 HydrophobicContact CE1-CD1 4.48Å; Y182-L298 HydrophobicContact CE1-CD2 4.26Å; Y182-L298 HydrophobicContact CE1-CG 4.49Å; Y182-V300 HydrophobicContact CE1-CG1 4.22Å; Y182-V300 HydrophobicContact CE2-CG1 4.18Å
183A91.1Very high93.5Very high1 Ų120.2 Ų20.21%0.00810%0.096CC..Hα-helixtrans-56.1-33.2-174.200000113.7L185 F186 M187 S259 L261 L264A183-L185 PolarHBondContact O-N 3.48Å; A183-F186 WeakPolarHBondContact O-CB 3.39Å; A183-F186 PolarHBondContact O-N 2.87Å; A183-F186 VanDerWaalsContact O-N 3.13Å; A183-M187 WeakPolarHBondContact O-CG 3.49Å; A183-M187 PolarHBondContact O-N 2.92Å; A183-M187 VanDerWaalsContact O-N 3.13Å; A183-S259 WeakPolarHBondContact CB-O 3.35Å; A183-S259 PolarHBondContact N-O 3.34Å; A183-L261 HydrophobicContact CB-CD2 3.82Å; A183-L264 HydrophobicContact CB-CD1 3.79Å
184F91.7Very high93.3Very high4 Ų425.5 Ų25.52%0.01812%0.121CC..Hα-helixtrans-60.7-29.5178.380.5-92.9000113Y182 M187 H188 L242 L285 M294 Y295 L298 V300 L303Y182-F184 HydrophobicContact CD1-CE1 4.41Å; Y182-F184 HydrophobicContact CG-CE1 4.24Å; Y182-F184 PolarHBondContact O-N 2.99Å; F184-M187 PolarHBondContact O-N 3.04Å; F184-H188 WeakPolarHBondContact O-CB 3.38Å; F184-H188 PolarHBondContact O-N 2.9Å; F184-L242 HydrophobicContact CB-CD1 3.79Å; F184-L242 HydrophobicContact CB-CD2 3.95Å; F184-L285 HydrophobicContact CD2-CD2 4.4Å; F184-L285 HydrophobicContact CE2-CD2 4.12Å; F184-M294 HydrophobicContact CB-CE 4.12Å; F184-M294 HydrophobicContact CB-SD 4.3Å; F184-M294 HydrophobicContact CD1-CE 3.74Å; F184-M294 HydrophobicContact CD1-SD 4.19Å; F184-M294 HydrophobicContact CD2-CE 4.1Å; F184-M294 HydrophobicContact CE1-CE 4.16Å; F184-M294 HydrophobicContact CE2-CE 4.49Å; F184-M294 HydrophobicContact CG-CE 3.71Å; F184-M294 HydrophobicContact CG-SD 4.35Å; F184-Y295 HydrophobicContact CD2-CE1 4.06Å; F184-Y295 HydrophobicContact CE1-CD1 4.46Å; F184-Y295 HydrophobicContact CE2-CD1 4.23Å; F184-Y295 AromaticContact CE2-CE1 3.65Å; F184-Y295 HydrophobicContact CE2-CE1 3.65Å; F184-Y295 HydrophobicContact CZ-CD1 4.01Å; F184-Y295 AromaticContact CZ-CE1 3.92Å; F184-Y295 HydrophobicContact CZ-CE1 3.92Å; F184-L298 HydrophobicContact CD1-CD1 4.1Å; F184-L298 HydrophobicContact CE1-CD1 3.91Å; F184-V300 HydrophobicContact CE1-CG2 4.31Å; F184-V300 HydrophobicContact CZ-CG2 4.17Å; F184-L303 HydrophobicContact CE2-CD1 4.36Å; F184-L303 HydrophobicContact CZ-CD1 3.95Å
185L94.2Very high93Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-69.2-41.4176.1-65.2177000111.1I148 T174 I179 Y182 A183 M187 H188 A189 W281 L303I148-L185 HydrophobicContact CD1-CD1 4.4Å; I148-L185 HydrophobicContact CG1-CD1 4.32Å; T174-L185 HydrophobicContact CG2-CD1 4.17Å; I179-L185 HydrophobicContact CD1-CB 3.55Å; I179-L185 HydrophobicContact CD1-CD1 4.26Å; Y182-L185 HydrophobicContact CD2-CD1 3.93Å; Y182-L185 HydrophobicContact CG-CD1 4.28Å; Y182-L185 WeakPolarHBondContact O-CB 3.49Å; Y182-L185 PolarHBondContact O-N 3.43Å; A183-L185 PolarHBondContact O-N 3.48Å; L185-M187 VanDerWaalsContact C-N 3.34Å; L185-M187 PolarHBondContact O-N 2.98Å; L185-H188 PolarHBondContact O-N 3.31Å; L185-A189 VanDerWaalsContact O-CB 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.42Å; L185-A189 PolarHBondContact O-N 3.13Å; L185-W281 HydrophobicContact CD2-CH2 3.85Å; L185-W281 HydrophobicContact CD2-CZ3 3.61Å; L185-L303 HydrophobicContact CD2-CD1 4.39Å
186F93Very high92.8Very high2 Ų227.4 Ų27.41%0.00913%0.132CC..Hα-helixtrans-57.5-48.7173176.5-84.6000111.2I179 A183 H188 A189 Y190 F196 C200 T206 L211 L261 L267 V272I179-F186 HydrophobicContact CG2-CB 3.74Å; I179-F186 HydrophobicContact CG2-CD2 4.05Å; I179-F186 HydrophobicContact CG2-CG 4.42Å; A183-F186 WeakPolarHBondContact O-CB 3.39Å; A183-F186 PolarHBondContact O-N 2.87Å; A183-F186 VanDerWaalsContact O-N 3.13Å; F186-H188 VanDerWaalsContact C-N 3.27Å; F186-H188 PolarHBondContact O-N 2.82Å; F186-A189 PolarHBondContact O-N 3.41Å; F186-Y190 HydrophobicContact CE1-CD2 4.25Å; F186-Y190 HydrophobicContact CE1-CG 4.48Å; F186-Y190 HydrophobicContact CZ-CD2 4.03Å; F186-Y190 VanDerWaalsContact O-CB 3.29Å; F186-Y190 WeakPolarHBondContact O-CB 3.02Å; F186-Y190 PolarHBondContact O-N 3.3Å; F186-F196 HydrophobicContact CD2-CE1 4.01Å; F186-F196 AromaticContact CD2-CZ 3.71Å; F186-F196 HydrophobicContact CD2-CZ 3.71Å; F186-F196 HydrophobicContact CE2-CE1 4.1Å; F186-F196 HydrophobicContact CE2-CZ 4.02Å; F186-F196 HydrophobicContact CG-CZ 4.48Å; F186-C200 VanDerWaalsContact CE2-SG 3.54Å; F186-T206 HydrophobicContact CZ-CG2 4.36Å; F186-L211 HydrophobicContact CE1-CD1 3.87Å; F186-L211 HydrophobicContact CZ-CD1 4.15Å; F186-L261 HydrophobicContact CB-CD1 4.14Å; F186-L261 HydrophobicContact CB-CD2 3.75Å; F186-L261 HydrophobicContact CB-CG 4.45Å; F186-L261 HydrophobicContact CD1-CD2 4.41Å; F186-L261 HydrophobicContact CD2-CD1 3.79Å; F186-L261 HydrophobicContact CD2-CD2 4.39Å; F186-L261 HydrophobicContact CG-CD1 4.13Å; F186-L261 HydrophobicContact CG-CD2 3.94Å; F186-L267 HydrophobicContact CD1-CD1 4.3Å; F186-L267 HydrophobicContact CE1-CD1 4Å; F186-L267 HydrophobicContact CE1-CD2 4.01Å; F186-L267 HydrophobicContact CE2-CD2 4.26Å; F186-L267 HydrophobicContact CZ-CD1 4.17Å; F186-L267 HydrophobicContact CZ-CD2 3.57Å; F186-V272 HydrophobicContact CD2-CG2 3.65Å; F186-V272 HydrophobicContact CE2-CG2 3.91Å
187M88.9Confident92.6Very high1 Ų128.3 Ų28.31%0.00514%0.135CC..Hα-helixtrans-60.8-42.2-178.7-57.1-48.215500111A183 F184 L185 D191 L242 W245 M249 F256 L261 L264 L267A183-M187 WeakPolarHBondContact O-CG 3.49Å; A183-M187 PolarHBondContact O-N 2.92Å; A183-M187 VanDerWaalsContact O-N 3.13Å; F184-M187 PolarHBondContact O-N 3.04Å; L185-M187 VanDerWaalsContact C-N 3.34Å; L185-M187 PolarHBondContact O-N 2.98Å; M187-D191 PolarHBondContact O-N 3.26Å; M187-L242 HydrophobicContact CB-CD2 4.49Å; M187-W245 HydrophobicContact CB-CB 4.46Å; M187-W245 HydrophobicContact CB-CD2 3.77Å; M187-W245 HydrophobicContact CB-CE3 4.39Å; M187-W245 HydrophobicContact CB-CG 3.81Å; M187-W245 HydrophobicContact CB-CZ2 4.26Å; M187-W245 HydrophobicContact CE-CE3 4.43Å; M187-W245 HydrophobicContact CG-CB 4.14Å; M187-W245 HydrophobicContact CG-CD2 3.85Å; M187-W245 HydrophobicContact CG-CE3 4.07Å; M187-W245 HydrophobicContact CG-CG 3.92Å; M187-W245 WeakPolarHBondContact O-CZ2 3.14Å; M187-W245 HydrophobicContact SD-CB 4.39Å; M187-W245 HydrophobicContact SD-CD2 3.45Å; M187-W245 HydrophobicContact SD-CE3 3.05Å; M187-W245 HydrophobicContact SD-CG 4.09Å; M187-W245 HydrophobicContact SD-CH2 3.92Å; M187-W245 HydrophobicContact SD-CZ2 4.29Å; M187-W245 HydrophobicContact SD-CZ3 3.29Å; M187-W245 WeakPolarHBondContact SD-CZ3 3.47Å; M187-M249 HydrophobicContact CE-CE 4.26Å; M187-M249 HydrophobicContact CE-CG 4.24Å; M187-F256 HydrophobicContact CE-CE2 4.18Å; M187-F256 HydrophobicContact CE-CZ 3.8Å; M187-F256 HydrophobicContact CG-CE1 4.41Å; M187-F256 HydrophobicContact CG-CZ 4.05Å; M187-F256 HydrophobicContact SD-CZ 4.19Å; M187-L261 HydrophobicContact CE-CD2 4.49Å; M187-L264 HydrophobicContact CE-CD1 3.3Å; M187-L267 HydrophobicContact CE-CD1 4.47Å
188H90.3Very high92.3Very high17 Ų1729.7 Ų29.78%0.07914%0.14CC..Hα-helixtrans-64.3-51.5177.6-162.758.7000111.8F184 L185 F186 Y190 D191 T192 W277 W281 F284F184-H188 WeakPolarHBondContact O-CB 3.38Å; F184-H188 PolarHBondContact O-N 2.9Å; L185-H188 PolarHBondContact O-N 3.31Å; F186-H188 VanDerWaalsContact C-N 3.27Å; F186-H188 PolarHBondContact O-N 2.82Å; H188-Y190 VanDerWaalsContact C-N 3.31Å; H188-Y190 PolarHBondContact O-N 2.7Å; H188-D191 PolarHBondContact O-N 3.46Å; H188-T192 PolarHBondContact O-N 3.35Å; H188-T192 PolarHBondContact O-OG1 3.03Å; H188-T192 VanDerWaalsContact O-OG1 3.05Å; H188-W277 HydrophobicContact CB-CH2 4.31Å; H188-W277 AromaticContact CD2-CH2 3.77Å; H188-W277 AromaticContact CD2-CZ3 3.63Å; H188-W281 AromaticContact CD2-CE3 3.88Å; H188-W281 PolarHBondContact NE2-O 3.47Å; H188-F284 WeakPolarHBondContact CE1-CB 3.47Å; H188-F284 PolarHBondContact CE1-O 3.45Å
189A92.9Very high92.1Very high0 Ų029.8 Ų29.80%014%0.141CC..Hα-helixtrans-58.9-41.9178.500000112L185 F186 D191 T192 E193 F196 V275 W277L185-A189 VanDerWaalsContact O-CB 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.42Å; L185-A189 PolarHBondContact O-N 3.13Å; F186-A189 PolarHBondContact O-N 3.41Å; A189-D191 VanDerWaalsContact C-N 3.33Å; A189-D191 PolarHBondContact O-N 3.26Å; A189-T192 PolarHBondContact O-N 3.4Å; A189-E193 WeakPolarHBondContact O-CA 3.32Å; A189-E193 WeakPolarHBondContact O-CB 3.36Å; A189-E193 PolarHBondContact O-N 3.07Å; A189-F196 HydrophobicContact CB-CB 4.41Å; A189-F196 HydrophobicContact CB-CD1 3.49Å; A189-F196 VanDerWaalsContact CB-CD1 3.49Å; A189-F196 HydrophobicContact CB-CD2 4.16Å; A189-F196 HydrophobicContact CB-CE1 3.66Å; A189-F196 HydrophobicContact CB-CE2 4.28Å; A189-F196 HydrophobicContact CB-CG 3.76Å; A189-F196 HydrophobicContact CB-CZ 4.06Å; A189-V275 HydrophobicContact CB-CB 4.23Å; A189-V275 HydrophobicContact CB-CG1 4.47Å; A189-V275 HydrophobicContact CB-CG2 3.9Å; A189-W277 HydrophobicContact CB-CH2 3.58Å; A189-W277 HydrophobicContact CB-CZ2 4.31Å; A189-W277 HydrophobicContact CB-CZ3 3.97Å
190Y90Very high91.9Very high7 Ų729.8 Ų29.83%0.02714%0.141CC..Hα-helixtrans-65-37.1179.6-162.3-84.6000112.6F186 H188 F196 R197 L211 W245F186-Y190 HydrophobicContact CE1-CD2 4.25Å; F186-Y190 HydrophobicContact CE1-CG 4.48Å; F186-Y190 HydrophobicContact CZ-CD2 4.03Å; F186-Y190 VanDerWaalsContact O-CB 3.29Å; F186-Y190 WeakPolarHBondContact O-CB 3.02Å; F186-Y190 PolarHBondContact O-N 3.3Å; H188-Y190 VanDerWaalsContact C-N 3.31Å; H188-Y190 PolarHBondContact O-N 2.7Å; Y190-F196 HydrophobicContact CD2-CE1 4.42Å; Y190-R197 HydrophobicContact CD2-CB 4.49Å; Y190-R197 HydrophobicContact CE1-CG 4.31Å; Y190-R197 HydrophobicContact CE2-CB 4.44Å; Y190-R197 HydrophobicContact CE2-CG 4.05Å; Y190-L211 HydrophobicContact CD1-CB 4.48Å; Y190-L211 HydrophobicContact CD1-CD1 4.48Å; Y190-L211 HydrophobicContact CD2-CD1 4.28Å; Y190-L211 HydrophobicContact CE1-CB 3.6Å; Y190-L211 HydrophobicContact CE1-CD1 4.26Å; Y190-L211 HydrophobicContact CE2-CB 4.29Å; Y190-L211 HydrophobicContact CE2-CD1 4.06Å; Y190-L211 HydrophobicContact CG-CD1 4.49Å; Y190-L211 VanDerWaalsContact CZ-CB 3.49Å; Y190-L211 WeakPolarHBondContact OH-CB 3.18Å; Y190-W245 AromaticContact CD1-CH2 3.69Å; Y190-W245 HydrophobicContact CD1-CH2 3.69Å; Y190-W245 HydrophobicContact CD1-CZ2 4.08Å; Y190-W245 HydrophobicContact CE1-CH2 4.49Å; Y190-W245 HydrophobicContact CG-CH2 4.01Å; Y190-W245 HydrophobicContact CG-CZ2 4.46Å
191D86.9Confident91.7Very high32 Ų3234.2 Ų34.217%0.17116%0.158CC..Hα-helixtrans-75.5-38.9177.8-85.3-10.3000112.9M187 H188 A189 W245M187-D191 PolarHBondContact O-N 3.26Å; H188-D191 PolarHBondContact O-N 3.46Å; A189-D191 VanDerWaalsContact C-N 3.33Å; A189-D191 PolarHBondContact O-N 3.26Å; D191-W245 VanDerWaalsContact CG-NE1 3.27Å; D191-W245 WeakPolarHBondContact OD1-CZ2 3.33Å; D191-W245 PolarHBondContact OD1-NE1 2.9Å; D191-W245 PolarHBondContact OD2-NE1 2.78Å
192T88.2Confident91.5Very high40 Ų4031.3 Ų31.325%0.24515%0.153CC..Hα-helixtrans-104.4-28.9-168.566.40000114.6H188 A189H188-T192 PolarHBondContact O-N 3.35Å; H188-T192 PolarHBondContact O-OG1 3.03Å; H188-T192 VanDerWaalsContact O-OG1 3.05Å; A189-T192 PolarHBondContact O-N 3.4Å
193E92.1Very high91.3Very high6 Ų631.7 Ų31.73%0.02816%0.16CC..  trans-109.6111-171.3-54-56.1132.900111.3A189 F196 R197 V275 W277 I278 S279A189-E193 WeakPolarHBondContact O-CA 3.32Å; A189-E193 WeakPolarHBondContact O-CB 3.36Å; A189-E193 PolarHBondContact O-N 3.07Å; E193-F196 HydrophobicContact CB-CB 3.91Å; E193-F196 PolarHBondContact O-N 3.24Å; E193-R197 PolarHBondContact O-N 3.47Å; E193-V275 HydrophobicContact CB-CG2 4.24Å; E193-V275 HydrophobicContact CG-CG2 3.93Å; E193-W277 HydrophobicContact CG-CD2 4.43Å; E193-W277 HydrophobicContact CG-CE3 3.43Å; E193-W277 VanDerWaalsContact CG-CE3 3.43Å; E193-W277 HydrophobicContact CG-CZ3 3.66Å; E193-I278 PolarHBondContact OE2-N 3.04Å; E193-S279 PolarHBondContact OE1-OG 3.08Å
194E90.9Very high91.3Very high114 Ų11436.2 Ų36.253%0.53319%0.188SC..Hα-helixtrans-65.7-42.2-178177.7167.8-165.300113.3F196 R197 Q198E194-F196 VanDerWaalsContact C-N 3.3Å; E194-F196 PolarHBondContact O-N 2.96Å; E194-R197 PolarHBondContact O-N 3.14Å; E194-Q198 HydrophobicContact CG-CG 4.34Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.02Å; E194-Q198 PolarHBondContact OE1-NE2 3.4Å; E194-Q198 VanDerWaalsContact OE1-NE2 3.14Å
195T91.3Very high91.2Very high38 Ų3836.1 Ų36.123%0.23319%0.187CC..Hα-helixtrans-60.2-41.1178.452.30000111.6Q198 S199T195-Q198 PolarHBondContact O-N 2.7Å; T195-S199 WeakPolarHBondContact O-CB 3.38Å; T195-S199 PolarHBondContact O-N 2.96Å; T195-S199 PolarHBondContact O-OG 3.48Å
196F94.2Very high90.8Very high2 Ų236.4 Ų36.41%0.00919%0.189CC..Hα-helixtrans-62.7-49.4175.3179.4-99.2000111.3I179 F186 A189 Y190 E193 E194 Q198 S199 C200 V272 P273 V275I179-F196 HydrophobicContact CG2-CE2 4.44Å; I179-F196 HydrophobicContact CG2-CZ 4.16Å; F186-F196 HydrophobicContact CD2-CE1 4.01Å; F186-F196 AromaticContact CD2-CZ 3.71Å; F186-F196 HydrophobicContact CD2-CZ 3.71Å; F186-F196 HydrophobicContact CE2-CE1 4.1Å; F186-F196 HydrophobicContact CE2-CZ 4.02Å; F186-F196 HydrophobicContact CG-CZ 4.48Å; A189-F196 HydrophobicContact CB-CB 4.41Å; A189-F196 HydrophobicContact CB-CD1 3.49Å; A189-F196 VanDerWaalsContact CB-CD1 3.49Å; A189-F196 HydrophobicContact CB-CD2 4.16Å; A189-F196 HydrophobicContact CB-CE1 3.66Å; A189-F196 HydrophobicContact CB-CE2 4.28Å; A189-F196 HydrophobicContact CB-CG 3.76Å; A189-F196 HydrophobicContact CB-CZ 4.06Å; Y190-F196 HydrophobicContact CD2-CE1 4.42Å; E193-F196 HydrophobicContact CB-CB 3.91Å; E193-F196 PolarHBondContact O-N 3.24Å; E194-F196 VanDerWaalsContact C-N 3.3Å; E194-F196 PolarHBondContact O-N 2.96Å; F196-Q198 VanDerWaalsContact C-N 3.34Å; F196-Q198 PolarHBondContact O-N 3.48Å; F196-S199 PolarHBondContact O-N 2.85Å; F196-C200 VanDerWaalsContact O-CB 3.27Å; F196-C200 WeakPolarHBondContact O-CB 3.49Å; F196-C200 PolarHBondContact O-N 3.31Å; F196-V272 HydrophobicContact CE2-CG2 4.41Å; F196-V272 HydrophobicContact CZ-CG2 4.08Å; F196-P273 HydrophobicContact CD2-CG 3.85Å; F196-P273 HydrophobicContact CE2-CG 3.71Å; F196-P273 WeakPolarHBondContact CE2-O 3.25Å; F196-P273 HydrophobicContact CZ-CG 4.41Å; F196-V275 HydrophobicContact CB-CB 4.48Å; F196-V275 HydrophobicContact CB-CG2 4.1Å; F196-V275 HydrophobicContact CD2-CB 3.63Å; F196-V275 HydrophobicContact CD2-CG2 4.15Å; F196-V275 HydrophobicContact CE2-CB 4.18Å; F196-V275 HydrophobicContact CG-CB 4.27Å; F196-V275 HydrophobicContact CG-CG2 4.3Å
197R92Very high90.1Very high48 Ų4841.7 Ų41.718%0.18121%0.212CC..Hα-helixtrans-61-40.8179172.1167.933.771.11.5112.4Y190 E193 E194 Y201Y190-R197 HydrophobicContact CD2-CB 4.49Å; Y190-R197 HydrophobicContact CE1-CG 4.31Å; Y190-R197 HydrophobicContact CE2-CB 4.44Å; Y190-R197 HydrophobicContact CE2-CG 4.05Å; E193-R197 PolarHBondContact O-N 3.47Å; E194-R197 PolarHBondContact O-N 3.14Å; R197-Y201 WeakPolarHBondContact O-CB 3.33Å; R197-Y201 PolarHBondContact O-N 3.03Å
198Q92Very high88.8Confident107 Ų10749.2 Ų49.250%0.525%0.253SS..Hα-helixtrans-63.5-47.8174.9-71.3176.31.900111.5E194 T195 F196 C200 Y201 S202E194-Q198 HydrophobicContact CG-CG 4.34Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.02Å; E194-Q198 PolarHBondContact OE1-NE2 3.4Å; E194-Q198 VanDerWaalsContact OE1-NE2 3.14Å; T195-Q198 PolarHBondContact O-N 2.7Å; F196-Q198 VanDerWaalsContact C-N 3.34Å; F196-Q198 PolarHBondContact O-N 3.48Å; Q198-C200 VanDerWaalsContact C-N 3.33Å; Q198-C200 PolarHBondContact O-N 3.27Å; Q198-Y201 PolarHBondContact O-N 3.28Å; Q198-S202 WeakPolarHBondContact O-CB 3.44Å; Q198-S202 PolarHBondContact O-N 2.9Å
199S93.4Very high87.3Confident11 Ų1151.9 Ų51.98%0.07727%0.267CS..Hα-helixtrans-61.8-41.9178.2-56.50000111.6T195 F196 Y201 S202 A203T195-S199 WeakPolarHBondContact O-CB 3.38Å; T195-S199 PolarHBondContact O-N 2.96Å; T195-S199 PolarHBondContact O-OG 3.48Å; F196-S199 PolarHBondContact O-N 2.85Å; S199-Y201 PolarHBondContact O-N 3.33Å; S199-S202 PolarHBondContact O-N 2.72Å; S199-A203 WeakPolarHBondContact O-CB 3.4Å; S199-A203 PolarHBondContact O-N 3.16Å
200C92.8Very high85.8Confident0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-65.4-40.7178.2-149.30000111.4F186 F196 Q198 T204 C205 P273F186-C200 VanDerWaalsContact CE2-SG 3.54Å; F196-C200 VanDerWaalsContact O-CB 3.27Å; F196-C200 WeakPolarHBondContact O-CB 3.49Å; F196-C200 PolarHBondContact O-N 3.31Å; Q198-C200 VanDerWaalsContact C-N 3.33Å; Q198-C200 PolarHBondContact O-N 3.27Å; C200-T204 PolarHBondContact O-N 3.41Å; C200-C205 WeakPolarHBondContact CA-SG 3.06Å; C200-C205 HydrophobicContact CB-CB 4.18Å; C200-C205 WeakPolarHBondContact CB-SG 3.31Å; C200-C205 WeakPolarHBondContact O-CB 3.48Å; C200-C205 PolarHBondContact O-N 2.94Å; C200-C205 PolarHBondContact O-SG 2.99Å; C200-C205 WeakPolarHBondContact SG-CB 3.32Å; C200-C205 CovalentContact SG-SG 2Å; C200-C205 PolarHBondContact SG-SG 3.23Å; C200-P273 HydrophobicContact CB-CG 4.13Å
201Y90.5Very high84.6Confident144 Ų14455.4 Ų55.457%0.56529%0.292SS*.Hα-helixtrans-64-46.8174.2-179.1-97.6000111.8R197 Q198 S199 A203 T204 N209R197-Y201 WeakPolarHBondContact O-CB 3.33Å; R197-Y201 PolarHBondContact O-N 3.03Å; Q198-Y201 PolarHBondContact O-N 3.28Å; S199-Y201 PolarHBondContact O-N 3.33Å; Y201-A203 PolarHBondContact O-N 2.95Å; Y201-T204 PolarHBondContact O-N 3.24Å; Y201-N209 WeakPolarHBondContact CD2-OD1 3.35Å; Y201-N209 VanDerWaalsContact CE2-OD1 3.27Å; Y201-N209 WeakPolarHBondContact CE2-OD1 3.3Å
202S90.5Very high83.1Confident64 Ų6456.1 Ų56.145%0.44830%0.302SS..Hα-helixtrans-56.2-48.6176.1-174.60000111.7D161 Q198 S199 T204D161-S202 PolarHBondContact OD1-OG 3.26Å; D161-S202 WeakPolarHBondContact OD2-CB 3.27Å; D161-S202 PolarHBondContact OD2-OG 2.88Å; Q198-S202 WeakPolarHBondContact O-CB 3.44Å; Q198-S202 PolarHBondContact O-N 2.9Å; S199-S202 PolarHBondContact O-N 2.72Å; S202-T204 PolarHBondContact O-N 2.9Å; S202-T204 VanDerWaalsContact O-N 3.13Å
203A90.7Very high81.2Confident28 Ų2863.3 Ų63.323%0.23133%0.333CS..THydrogen-bonded Turntrans-70.2-5.6177.200000113.9S199 Y201 C205 L271S199-A203 WeakPolarHBondContact O-CB 3.4Å; S199-A203 PolarHBondContact O-N 3.16Å; Y201-A203 PolarHBondContact O-N 2.95Å; A203-C205 PolarHBondContact O-N 3.16Å; A203-L271 HydrophobicContact CB-CB 4.41Å; A203-L271 WeakPolarHBondContact CB-O 3.27Å; A203-L271 WeakPolarHBondContact O-CD1 3.47Å
204T90.5Very high79.2Confident95 Ų9565.4 Ų65.458%0.58335%0.346SS*.THydrogen-bonded Turntrans54.937-173.4-43.80000112.1C200 Y201 S202 T206C200-T204 PolarHBondContact O-N 3.41Å; Y201-T204 PolarHBondContact O-N 3.24Å; S202-T204 PolarHBondContact O-N 2.9Å; S202-T204 VanDerWaalsContact O-N 3.13Å; T204-T206 PolarHBondContact O-N 2.99Å; T204-T206 VanDerWaalsContact O-N 3.11Å
205C89.2Confident77.2Confident2 Ų265.4 Ų65.41%0.01435%0.349CS..  trans-62.1-19.9178.377.50000112.4C200 A203 L267 D268 L271C200-C205 WeakPolarHBondContact CA-SG 3.06Å; C200-C205 HydrophobicContact CB-CB 4.18Å; C200-C205 WeakPolarHBondContact CB-SG 3.31Å; C200-C205 WeakPolarHBondContact O-CB 3.48Å; C200-C205 PolarHBondContact O-N 2.94Å; C200-C205 PolarHBondContact O-SG 2.99Å; C200-C205 WeakPolarHBondContact SG-CB 3.32Å; C200-C205 CovalentContact SG-SG 2Å; C200-C205 PolarHBondContact SG-SG 3.23Å; A203-C205 PolarHBondContact O-N 3.16Å; C205-L267 CarbonylContact O-C 3.55Å; C205-L267 VanDerWaalsContact O-CA 3.32Å; C205-L267 WeakPolarHBondContact O-CA 3.46Å; C205-D268 PolarHBondContact O-N 2.88Å; C205-L271 HydrophobicContact CB-CB 4.38Å
206T86.6Confident75Confident6 Ų669.4 Ų69.44%0.03736%0.36CS..BIsolated β-bridgetrans-115.2132.3-179.154.60000110.4F186 T204 L211 N266 L267F186-T206 HydrophobicContact CZ-CG2 4.36Å; T204-T206 PolarHBondContact O-N 2.99Å; T204-T206 VanDerWaalsContact O-N 3.11Å; T206-L211 HydrophobicContact CG2-CB 4.5Å; T206-L211 HydrophobicContact CG2-CD1 3.48Å; T206-L211 VanDerWaalsContact CG2-CD1 3.48Å; T206-L211 HydrophobicContact CG2-CG 4.03Å; T206-N266 CarbonylContact C-O 3.1Å; T206-N266 WeakPolarHBondContact CA-O 3.16Å; T206-L267 HydrophobicContact CG2-CD2 3.41Å; T206-L267 VanDerWaalsContact CG2-CD2 3.41Å
207K78.2Confident72.4Confident114 Ų11474.4 Ų74.450%0.49639%0.391SS..G310 helixtrans-77.9130.5178.7-58.8-175.7-172.7172.50109.7N209 S210 N266K207-N209 VanDerWaalsContact C-N 3.27Å; K207-N209 PolarHBondContact O-N 2.75Å; K207-S210 PolarHBondContact O-N 3.22Å; K207-S210 PolarHBondContact O-OG 3.18Å; K207-S210 VanDerWaalsContact O-OG 3.12Å; K207-N266 HydrophobicContact CB-CB 4.18Å; K207-N266 PolarHBondContact N-O 3.09Å
208N61.6Low69.9Low159 Ų15975.1 Ų75.185%0.8540%0.402SS*.G310 helixtrans58.827.4172-59.1-24.1000116.1S210N208-S210 PolarHBondContact O-N 3.02Å
209N59.8Low67Low72 Ų7274.9 Ų74.939%0.38540%0.404SS..G310 helixtrans56.424.7177.5-147.525.5000113.9Y201 K207 L211 A212Y201-N209 WeakPolarHBondContact CD2-OD1 3.35Å; Y201-N209 VanDerWaalsContact CE2-OD1 3.27Å; Y201-N209 WeakPolarHBondContact CE2-OD1 3.3Å; K207-N209 VanDerWaalsContact C-N 3.27Å; K207-N209 PolarHBondContact O-N 2.75Å; N209-L211 PolarHBondContact O-N 2.96Å; N209-A212 HydrophobicContact CB-CB 4.39Å; N209-A212 VanDerWaalsContact ND2-CB 3.27Å; N209-A212 WeakPolarHBondContact ND2-CB 3.47Å; N209-A212 WeakPolarHBondContact O-CB 3.35Å; N209-A212 PolarHBondContact O-N 3.07Å; N209-A212 WeakPolarHBondContact OD1-CB 3.31Å
210S60.2Low64.5Low70 Ų7078.9 Ų78.949%0.4943%0.432SS..THydrogen-bonded Turntrans-62.8-11-17251.40000114.4K207 N208K207-S210 PolarHBondContact O-N 3.22Å; K207-S210 PolarHBondContact O-OG 3.18Å; K207-S210 VanDerWaalsContact O-OG 3.12Å; N208-S210 PolarHBondContact O-N 3.02Å
211L65.9Low61.7Low12 Ų1287.4 Ų87.46%0.06347%0.469CS..THydrogen-bonded Turntrans-101.4-10.3176.9-61.6-173.9000114.1F186 Y190 T206 N209 E213 V214 W245 M249 L267F186-L211 HydrophobicContact CE1-CD1 3.87Å; F186-L211 HydrophobicContact CZ-CD1 4.15Å; Y190-L211 HydrophobicContact CD1-CB 4.48Å; Y190-L211 HydrophobicContact CD1-CD1 4.48Å; Y190-L211 HydrophobicContact CD2-CD1 4.28Å; Y190-L211 HydrophobicContact CE1-CB 3.6Å; Y190-L211 HydrophobicContact CE1-CD1 4.26Å; Y190-L211 HydrophobicContact CE2-CB 4.29Å; Y190-L211 HydrophobicContact CE2-CD1 4.06Å; Y190-L211 HydrophobicContact CG-CD1 4.49Å; Y190-L211 VanDerWaalsContact CZ-CB 3.49Å; Y190-L211 WeakPolarHBondContact OH-CB 3.18Å; T206-L211 HydrophobicContact CG2-CB 4.5Å; T206-L211 HydrophobicContact CG2-CD1 3.48Å; T206-L211 VanDerWaalsContact CG2-CD1 3.48Å; T206-L211 HydrophobicContact CG2-CG 4.03Å; N209-L211 PolarHBondContact O-N 2.96Å; L211-E213 VanDerWaalsContact C-N 3.28Å; L211-E213 PolarHBondContact O-N 2.86Å; L211-V214 PolarHBondContact O-N 3.09Å; L211-W245 HydrophobicContact CD1-CH2 4.14Å; L211-W245 HydrophobicContact CD1-CZ3 4.01Å; L211-W245 HydrophobicContact CD2-CH2 4.22Å; L211-W245 HydrophobicContact CD2-CZ3 3.62Å; L211-W245 HydrophobicContact CG-CZ3 4.44Å; L211-M249 HydrophobicContact CD2-SD 4.3Å; L211-L267 HydrophobicContact CD1-CD2 4.34Å
212A54.9Low59Low46 Ų4688.7 Ų88.738%0.3848%0.478SS..THydrogen-bonded Turntrans-69.4-16.2-170.400000115.8N209 V214N209-A212 HydrophobicContact CB-CB 4.39Å; N209-A212 VanDerWaalsContact ND2-CB 3.27Å; N209-A212 WeakPolarHBondContact ND2-CB 3.47Å; N209-A212 WeakPolarHBondContact O-CB 3.35Å; N209-A212 PolarHBondContact O-N 3.07Å; N209-A212 WeakPolarHBondContact OD1-CB 3.31Å; A212-V214 PolarHBondContact O-N 3.37Å
213E48.6Very low56.6Low192 Ų19292.5 Ų92.590%0.89749%0.492SS*.THydrogen-bonded Turntrans-78.47.8-179.7-69.1-171167.600114L211L211-E213 VanDerWaalsContact C-N 3.28Å; L211-E213 PolarHBondContact O-N 2.86Å
214V49.6Very low53.6Low49 Ų49101.6 Ų101.630%0.29752%0.521SS..  trans-136.284.7-171.4-164.90000112.7L211 A212 Y216L211-V214 PolarHBondContact O-N 3.09Å; A212-V214 PolarHBondContact O-N 3.37Å; V214-Y216 PolarHBondContact O-N 3.48Å
215I48.5Very low50.7Low115 Ų115106.4 Ų106.459%0.5953%0.533SS*.  trans-84.7103153.8-57.7173.5000106T217I215-T217 HydrophobicContact CG2-CG2 3.83Å; I215-T217 PolarHBondContact O-N 2.93Å; I215-T217 VanDerWaalsContact O-N 3.1Å
216Y46.3Very low47.7Very low122 Ų122112.6 Ų112.648%0.47857%0.572SS.*  trans-68.9103.2159.5177.5-99.9000106.7V214 P218V214-Y216 PolarHBondContact O-N 3.48Å; Y216-P218 HydrophobicContact CD1-CG 4.03Å; Y216-P218 HydrophobicContact CE1-CB 3.95Å; Y216-P218 HydrophobicContact CE1-CG 3.92Å; Y216-P218 VanDerWaalsContact O-CD 3.23Å; Y216-P218 WeakPolarHBondContact O-CD 3.44Å
217T38.4Very low44.9Very low106 Ų106115.4 Ų115.465%0.6560%0.602SS**  trans-78.8111.9166.653.60000107.6I215 D219I215-T217 HydrophobicContact CG2-CG2 3.83Å; I215-T217 PolarHBondContact O-N 2.93Å; I215-T217 VanDerWaalsContact O-N 3.1Å; T217-D219 PolarHBondContact O-N 3.41Å
218P39.6Very low42.6Very low63 Ų63117.5 Ų117.541%0.40962%0.618SS.*  trans-62.5128.1169.5-13.128.6000107.5Y216 S220Y216-P218 HydrophobicContact CD1-CG 4.03Å; Y216-P218 HydrophobicContact CE1-CB 3.95Å; Y216-P218 HydrophobicContact CE1-CG 3.92Å; Y216-P218 VanDerWaalsContact O-CD 3.23Å; Y216-P218 WeakPolarHBondContact O-CD 3.44Å; P218-S220 VanDerWaalsContact C-N 3.34Å; P218-S220 PolarHBondContact O-N 3.04Å; P218-S220 PolarHBondContact O-OG 2.6Å
219D31.8Very low41.1Very low102 Ų102119 Ų11955%0.54562%0.62SS.*  trans-63.693.2178.8-160.3-3.1000109.1T217 K221 K222T217-D219 PolarHBondContact O-N 3.41Å; D219-K221 PolarHBondContact O-N 3.33Å; D219-K222 PolarHBondContact O-N 3.19Å
220S40.2Very low39.8Very low96 Ų96119.5 Ų119.567%0.67163%0.634SS**THydrogen-bonded Turntrans-58.9-14.2-177.3-41.10000112.3P218P218-S220 VanDerWaalsContact C-N 3.34Å; P218-S220 PolarHBondContact O-N 3.04Å; P218-S220 PolarHBondContact O-OG 2.6Å
221K34.6Very low38.5Very low179 Ų179122.3 Ų122.378%0.77865%0.649SS**THydrogen-bonded Turntrans-76.2-13.6176.9-67.1-176-179.5174.80114.5D219D219-K221 PolarHBondContact O-N 3.33Å
222K34.3Very low36.7Very low171 Ų171128 Ų12874%0.74368%0.684SS**THydrogen-bonded Turntrans-92.5-14.1174-76.4-173.2179.51780114.4D219D219-K222 PolarHBondContact O-N 3.19Å
223L38.2Very low35.8Very low143 Ų143132.2 Ų132.275%0.74970%0.696SS**THydrogen-bonded Turntrans-92.4-22.3176-162.761.1000113.1K225L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 3.44Å
224R28.4Very low35.5Very low220 Ų220128.3 Ų128.383%0.8369%0.687SS**  trans-90.953.1172.2-73.3-173.2172.3-178.9-0.7113
225K29Very low35.1Very low195 Ų195133.2 Ų133.285%0.84871%0.707SS**  trans-96.983.3153.4-94.7-171.8176.1-175.80108.5L223L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 3.44Å
226T28.1Very low34.7Very low133 Ų133135.3 Ų135.382%0.81672%0.719SS**  trans-62.5136156.647.60000109.5
227G27.8Very low34.8Very low65 Ų65136.1 Ų136.167%0.6772%0.722SS**SBendtrans115.4100.3156.700000114.2
228N29.9Very low35.9Very low158 Ų158136 Ų13685%0.84573%0.726SS**  trans54.9135.2147.5-62.4-8.6000119.4
229E28.2Very low37.7Very low189 Ų189139 Ų13988%0.88374%0.739SS**SBendtrans94111.3166.3-56.8178.4169.400116.3
230A32.6Very low40.4Very low83 Ų83134.7 Ų134.769%0.68672%0.717SS**  trans50101.1154.900000117.7T232A230-T232 PolarHBondContact O-N 2.74Å; A230-T232 PolarHBondContact O-OG1 3.38Å
231T33.2Very low42.4Very low129 Ų129134 Ų13479%0.79170%0.699SS**  trans-1.782.4146.531.70000114.9H233T231-H233 PolarHBondContact O-N 3.29Å
232T28.9Very low44.8Very low132 Ų132126.1 Ų126.181%0.8167%0.665SS**  trans-88.797.8160.6-5.70000105.8A230A230-T232 PolarHBondContact O-N 2.74Å; A230-T232 PolarHBondContact O-OG1 3.38Å
233H35.6Very low47.1Very low134 Ų134119.9 Ų119.962%0.6264%0.643SS**  trans-55.2127.6173.9-76.6-99.2000109.4T231 E235T231-H233 PolarHBondContact O-N 3.29Å; H233-E235 HydrophobicContact CB-CG 4.15Å; H233-E235 PolarHBondContact O-N 3.01Å
234P43.1Very low49.2Very low111 Ų111116.4 Ų116.472%0.72163%0.63SS**  trans-76.646.417715.6-6.8000112.4
235E40.6Very low51.8Low151 Ų151106.2 Ų106.271%0.70659%0.591SS**  trans-86.4-6.4-173.6-77.2-172.4170.300115H233H233-E235 HydrophobicContact CB-CG 4.15Å; H233-E235 PolarHBondContact O-N 3.01Å
236D39.9Very low54.1Low160 Ų16097 Ų9786%0.85655%0.552SS**  trans-11543.4-171-126.1-2.5000114.3S238D236-S238 VanDerWaalsContact C-N 3.34Å; D236-S238 PolarHBondContact O-N 2.89Å; D236-S238 VanDerWaalsContact O-N 3.16Å
237Y49.1Very low56.4Low138 Ų13895.3 Ų95.354%0.54155%0.545SS..  trans-75.792.8156-77.4-82.9000107.9D239Y237-D239 PolarHBondContact O-N 3.17Å; Y237-D239 VanDerWaalsContact O-N 3.17Å
238S60.7Low58.8Low105 Ų10596.4 Ų96.473%0.73453%0.531SS*.  trans-55.4-28.5171.963.50000112.2D236D236-S238 VanDerWaalsContact C-N 3.34Å; D236-S238 PolarHBondContact O-N 2.89Å; D236-S238 VanDerWaalsContact O-N 3.16Å
239D78.7Confident61Low126 Ų12689.6 Ų89.667%0.67450%0.495SS*.SBendtrans-98.2111.1-175.9-69.9-0.1000111.1Y237 R241Y237-D239 PolarHBondContact O-N 3.17Å; Y237-D239 VanDerWaalsContact O-N 3.17Å; D239-R241 PolarHBondContact O-N 2.98Å
240C86.7Confident63.2Low11 Ų1189.7 Ų89.77%0.07449%0.492CS..  trans-59.1124.3173.5168.40000111.2L242 S243 P244 C291C240-L242 PolarHBondContact O-N 3.1Å; C240-S243 VanDerWaalsContact CB-OG 3.3Å; C240-S243 WeakPolarHBondContact CB-OG 3.25Å; C240-S243 WeakPolarHBondContact O-CB 3.48Å; C240-S243 PolarHBondContact O-N 2.84Å; C240-S243 PolarHBondContact SG-OG 3.43Å; C240-P244 WeakPolarHBondContact O-CD 3.17Å; C240-C291 VanDerWaalsContact SG-SG 3.64Å
241R83.9Confident65.1Low80 Ų8089 Ų8930%0.30247%0.474SS..THydrogen-bonded Turntrans-63.6-22.9-179.4-60.9-172.9178.1-163.7-3.6114D239 P244 F284 C286D239-R241 PolarHBondContact O-N 2.98Å; R241-P244 WeakPolarHBondContact O-CD 3.3Å; R241-F284 PolarHBondContact NH1-O 2.97Å; R241-C286 HydrophobicContact CB-CB 4.11Å; R241-C286 HydrophobicContact CG-CB 4.3Å
242L83.9Confident66.9Low14 Ų1489.9 Ų89.97%0.07347%0.468CS..THydrogen-bonded Turntrans-84.2-16.1176-60.6178.1000113.1F184 M187 C240 W245 A246 M294F184-L242 HydrophobicContact CB-CD1 3.79Å; F184-L242 HydrophobicContact CB-CD2 3.95Å; M187-L242 HydrophobicContact CB-CD2 4.49Å; C240-L242 PolarHBondContact O-N 3.1Å; L242-W245 WeakPolarHBondContact O-CB 3.27Å; L242-W245 PolarHBondContact O-N 3.02Å; L242-A246 PolarHBondContact O-N 2.61Å; L242-A246 VanDerWaalsContact O-N 3.08Å; L242-M294 HydrophobicContact CD1-CE 3.84Å; L242-M294 HydrophobicContact CD1-SD 3.84Å
243S83.1Confident68.8Low40 Ų4084.9 Ų84.928%0.2844%0.44SS..Hα-helixtrans-65.4-42.9-178.2-68.30000113.4C240 W245 A246 S247C240-S243 VanDerWaalsContact CB-OG 3.3Å; C240-S243 WeakPolarHBondContact CB-OG 3.25Å; C240-S243 WeakPolarHBondContact O-CB 3.48Å; C240-S243 PolarHBondContact O-N 2.84Å; C240-S243 PolarHBondContact SG-OG 3.43Å; S243-W245 PolarHBondContact O-N 2.84Å; S243-A246 WeakPolarHBondContact O-CB 3.42Å; S243-A246 PolarHBondContact O-N 2.96Å; S243-A246 VanDerWaalsContact O-N 3.15Å; S243-S247 PolarHBondContact O-N 3.32Å
244P82.5Confident70.3Confident71 Ų7182.6 Ų82.646%0.46144%0.438SS..Hα-helixtrans-56-35.9172.9-26.935000113.1C240 R241 K248C240-P244 WeakPolarHBondContact O-CD 3.17Å; R241-P244 WeakPolarHBondContact O-CD 3.3Å; P244-K248 VanDerWaalsContact O-CG 3.31Å; P244-K248 WeakPolarHBondContact O-CG 3.42Å; P244-K248 PolarHBondContact O-N 2.89Å; P244-K248 VanDerWaalsContact O-N 3.16Å
245W81.5Confident71.5Confident5 Ų583.9 Ų83.92%0.01943%0.434CS..Hα-helixtrans-69.5-41.3176.4-81.7101000113M187 Y190 D191 L211 L242 S243 S247 K248 M249 F256M187-W245 HydrophobicContact CB-CB 4.46Å; M187-W245 HydrophobicContact CB-CD2 3.77Å; M187-W245 HydrophobicContact CB-CE3 4.39Å; M187-W245 HydrophobicContact CB-CG 3.81Å; M187-W245 HydrophobicContact CB-CZ2 4.26Å; M187-W245 HydrophobicContact CE-CE3 4.43Å; M187-W245 HydrophobicContact CG-CB 4.14Å; M187-W245 HydrophobicContact CG-CD2 3.85Å; M187-W245 HydrophobicContact CG-CE3 4.07Å; M187-W245 HydrophobicContact CG-CG 3.92Å; M187-W245 WeakPolarHBondContact O-CZ2 3.14Å; M187-W245 HydrophobicContact SD-CB 4.39Å; M187-W245 HydrophobicContact SD-CD2 3.45Å; M187-W245 HydrophobicContact SD-CE3 3.05Å; M187-W245 HydrophobicContact SD-CG 4.09Å; M187-W245 HydrophobicContact SD-CH2 3.92Å; M187-W245 HydrophobicContact SD-CZ2 4.29Å; M187-W245 HydrophobicContact SD-CZ3 3.29Å; M187-W245 WeakPolarHBondContact SD-CZ3 3.47Å; Y190-W245 AromaticContact CD1-CH2 3.69Å; Y190-W245 HydrophobicContact CD1-CH2 3.69Å; Y190-W245 HydrophobicContact CD1-CZ2 4.08Å; Y190-W245 HydrophobicContact CE1-CH2 4.49Å; Y190-W245 HydrophobicContact CG-CH2 4.01Å; Y190-W245 HydrophobicContact CG-CZ2 4.46Å; D191-W245 VanDerWaalsContact CG-NE1 3.27Å; D191-W245 WeakPolarHBondContact OD1-CZ2 3.33Å; D191-W245 PolarHBondContact OD1-NE1 2.9Å; D191-W245 PolarHBondContact OD2-NE1 2.78Å; L211-W245 HydrophobicContact CD1-CH2 4.14Å; L211-W245 HydrophobicContact CD1-CZ3 4.01Å; L211-W245 HydrophobicContact CD2-CH2 4.22Å; L211-W245 HydrophobicContact CD2-CZ3 3.62Å; L211-W245 HydrophobicContact CG-CZ3 4.44Å; L242-W245 WeakPolarHBondContact O-CB 3.27Å; L242-W245 PolarHBondContact O-N 3.02Å; S243-W245 PolarHBondContact O-N 2.84Å; W245-S247 VanDerWaalsContact C-N 3.28Å; W245-S247 PolarHBondContact O-N 3.11Å; W245-K248 PolarHBondContact O-N 3.5Å; W245-M249 HydrophobicContact CE3-CG 4.33Å; W245-M249 WeakPolarHBondContact O-CB 3.5Å; W245-M249 WeakPolarHBondContact O-CG 3.44Å; W245-M249 PolarHBondContact O-N 2.99Å; W245-F256 HydrophobicContact CB-CE1 3.72Å; W245-F256 HydrophobicContact CB-CZ 3.85Å
246A78Confident73Confident3 Ų376.9 Ų76.93%0.02540%0.401CS..Hα-helixtrans-56.5-44.4175.900000111.5L242 S243 M249 K250 K251 A253 F256L242-A246 PolarHBondContact O-N 2.61Å; L242-A246 VanDerWaalsContact O-N 3.08Å; S243-A246 WeakPolarHBondContact O-CB 3.42Å; S243-A246 PolarHBondContact O-N 2.96Å; S243-A246 VanDerWaalsContact O-N 3.15Å; A246-M249 PolarHBondContact O-N 3.49Å; A246-K250 PolarHBondContact O-N 3.47Å; A246-K251 CarbonylContact C-O 3.59Å; A246-K251 PolarHBondContact O-N 2.93Å; A246-K251 VanDerWaalsContact O-O 3.11Å; A246-A253 HydrophobicContact CB-CB 4.08Å; A246-F256 HydrophobicContact CB-CB 4.07Å; A246-F256 HydrophobicContact CB-CD1 3.63Å; A246-F256 HydrophobicContact CB-CE1 4.21Å; A246-F256 HydrophobicContact CB-CG 3.86Å
247S76.9Confident74.8Confident96 Ų9670.5 Ų70.567%0.67137%0.365SS*.Hα-helixtrans-63.2-45176-58.80000112.7S243 W245 K250S243-S247 PolarHBondContact O-N 3.32Å; W245-S247 VanDerWaalsContact C-N 3.28Å; W245-S247 PolarHBondContact O-N 3.11Å; S247-K250 PolarHBondContact O-N 3.06Å
248K77.2Confident76.3Confident88 Ų8866.4 Ų66.438%0.38336%0.356SS..Hα-helixtrans-63.5-40.9178.1-71.8171.6-172.7174.90112.5P244 W245 K250P244-K248 VanDerWaalsContact O-CG 3.31Å; P244-K248 WeakPolarHBondContact O-CG 3.42Å; P244-K248 PolarHBondContact O-N 2.89Å; P244-K248 VanDerWaalsContact O-N 3.16Å; W245-K248 PolarHBondContact O-N 3.5Å; K248-K250 PolarHBondContact O-N 3.38Å
249M76.9Confident77.4Confident16 Ų1662.3 Ų62.38%0.07933%0.328CS..THydrogen-bonded Turntrans-79.94.2178.7-61-58.2-76.800112.9M187 L211 W245 A246 K251 F256 L264 D265 L267M187-M249 HydrophobicContact CE-CE 4.26Å; M187-M249 HydrophobicContact CE-CG 4.24Å; L211-M249 HydrophobicContact CD2-SD 4.3Å; W245-M249 HydrophobicContact CE3-CG 4.33Å; W245-M249 WeakPolarHBondContact O-CB 3.5Å; W245-M249 WeakPolarHBondContact O-CG 3.44Å; W245-M249 PolarHBondContact O-N 2.99Å; A246-M249 PolarHBondContact O-N 3.49Å; M249-K251 HydrophobicContact CB-CG 4.5Å; M249-K251 PolarHBondContact O-N 3.45Å; M249-F256 HydrophobicContact CB-CD2 4.27Å; M249-F256 HydrophobicContact CB-CE2 3.56Å; M249-F256 HydrophobicContact CB-CZ 4.2Å; M249-F256 HydrophobicContact CG-CE2 3.63Å; M249-F256 HydrophobicContact CG-CZ 3.86Å; M249-L264 HydrophobicContact CE-CB 3.73Å; M249-L264 HydrophobicContact CE-CD1 3.91Å; M249-L264 HydrophobicContact CE-CD2 4.44Å; M249-L264 HydrophobicContact CE-CG 4.25Å; M249-D265 WeakPolarHBondContact CE-O 3.25Å; M249-L267 HydrophobicContact CE-CD1 3.83Å; M249-L267 HydrophobicContact CE-CG 4.17Å
250K74.4Confident77.9Confident190 Ų19057.9 Ų57.983%0.82631%0.306SS*.THydrogen-bonded Turntrans54.635.8-179.4-56.4178.9-179.3175.60113.3A246 S247 K248A246-K250 PolarHBondContact O-N 3.47Å; S247-K250 PolarHBondContact O-N 3.06Å; K248-K250 PolarHBondContact O-N 3.38Å
251K72.9Confident77.9Confident70 Ų7057.4 Ų57.430%0.30430%0.303SS..  trans-115.3154.7178.2-64.9-66.7-174.4172.50111.2A246 M249 F256 S263 L264A246-K251 CarbonylContact C-O 3.59Å; A246-K251 PolarHBondContact O-N 2.93Å; A246-K251 VanDerWaalsContact O-O 3.11Å; M249-K251 HydrophobicContact CB-CG 4.5Å; M249-K251 PolarHBondContact O-N 3.45Å; K251-F256 HydrophobicContact CB-CB 3.95Å; K251-F256 HydrophobicContact CB-CD2 3.75Å; K251-F256 HydrophobicContact CB-CG 4.22Å; K251-F256 HydrophobicContact CG-CD2 4Å; K251-S263 WeakPolarHBondContact CE-O 3.35Å; K251-S263 PolarHBondContact NZ-O 3.42Å; K251-L264 HydrophobicContact CG-CD2 4.08Å
252H70.7Confident78.1Confident146 Ų14658.1 Ų58.168%0.67631%0.313SS*.  trans-71.7132.7169.8-100.8-76.3000110.4P254 E255 F256H252-P254 VanDerWaalsContact C-CD 3.46Å; H252-E255 PolarHBondContact O-N 2.88Å; H252-F256 VanDerWaalsContact O-CB 3.29Å; H252-F256 WeakPolarHBondContact O-CB 3.47Å; H252-F256 PolarHBondContact O-N 3.42Å
253A67.8Low78.1Confident27 Ų2760.4 Ų60.422%0.22333%0.33CS..Hα-helixtrans-53.6-39.2-174.100000115.2A246 R257A246-A253 HydrophobicContact CB-CB 4.08Å; A253-R257 WeakPolarHBondContact O-CD 3.36Å; A253-R257 VanDerWaalsContact O-CG 3.26Å; A253-R257 WeakPolarHBondContact O-CG 3.5Å; A253-R257 PolarHBondContact O-N 3.11Å
254P68.7Low78Confident87 Ų8758.9 Ų58.957%0.56532%0.319SS*.Hα-helixtrans-65-44.3177.2-22.634.5000113.6H252H252-P254 VanDerWaalsContact C-CD 3.46Å
255E67.8Low77.9Confident137 Ų13760.4 Ų60.464%0.6432%0.323SS*.Hα-helixtrans-71.3-36.8179.5-65.4175.7176.500111.5H252 R257 S259H252-E255 PolarHBondContact O-N 2.88Å; E255-R257 VanDerWaalsContact C-N 3.31Å; E255-R257 PolarHBondContact O-N 3.06Å; E255-S259 PolarHBondContact O-OG 2.87Å
256F72.2Confident78Confident5 Ų563.8 Ų63.82%0.02234%0.341CS..Hα-helixtrans-62.3-36.1-178.7-177-106.8000113.2M187 W245 A246 M249 K251 H252 C258 S259 L264M187-F256 HydrophobicContact CE-CE2 4.18Å; M187-F256 HydrophobicContact CE-CZ 3.8Å; M187-F256 HydrophobicContact CG-CE1 4.41Å; M187-F256 HydrophobicContact CG-CZ 4.05Å; M187-F256 HydrophobicContact SD-CZ 4.19Å; W245-F256 HydrophobicContact CB-CE1 3.72Å; W245-F256 HydrophobicContact CB-CZ 3.85Å; A246-F256 HydrophobicContact CB-CB 4.07Å; A246-F256 HydrophobicContact CB-CD1 3.63Å; A246-F256 HydrophobicContact CB-CE1 4.21Å; A246-F256 HydrophobicContact CB-CG 3.86Å; M249-F256 HydrophobicContact CB-CD2 4.27Å; M249-F256 HydrophobicContact CB-CE2 3.56Å; M249-F256 HydrophobicContact CB-CZ 4.2Å; M249-F256 HydrophobicContact CG-CE2 3.63Å; M249-F256 HydrophobicContact CG-CZ 3.86Å; K251-F256 HydrophobicContact CB-CB 3.95Å; K251-F256 HydrophobicContact CB-CD2 3.75Å; K251-F256 HydrophobicContact CB-CG 4.22Å; K251-F256 HydrophobicContact CG-CD2 4Å; H252-F256 VanDerWaalsContact O-CB 3.29Å; H252-F256 WeakPolarHBondContact O-CB 3.47Å; H252-F256 PolarHBondContact O-N 3.42Å; F256-C258 PolarHBondContact O-N 3.46Å; F256-S259 WeakPolarHBondContact O-CB 3.41Å; F256-S259 PolarHBondContact O-N 3.43Å; F256-L264 HydrophobicContact CD2-CD2 3.77Å; F256-L264 HydrophobicContact CE2-CD1 4.01Å; F256-L264 HydrophobicContact CE2-CD2 3.62Å
257R78Confident78.4Confident25 Ų2564.1 Ų64.19%0.09434%0.343CS..Hα-helixtrans-62.9-41.6-176.6-80.5170.6-160.9154.6-4.2113.4A253 E255 D290 M294A253-R257 WeakPolarHBondContact O-CD 3.36Å; A253-R257 VanDerWaalsContact O-CG 3.26Å; A253-R257 WeakPolarHBondContact O-CG 3.5Å; A253-R257 PolarHBondContact O-N 3.11Å; E255-R257 VanDerWaalsContact C-N 3.31Å; E255-R257 PolarHBondContact O-N 3.06Å; R257-D290 IonicContact CZ-OD2 3.4Å; R257-D290 IonicContact NH1-OD1 2.89Å; R257-D290 IonicContact NH1-OD2 2.73Å; R257-D290 PolarHBondContact NH1-OD2 2.83Å; R257-D290 IonicContact NH2-OD2 3.19Å; R257-D290 PolarHBondContact NH2-OD2 3.31Å; R257-M294 VanDerWaalsContact C-SD 3.58Å; R257-M294 HydrophobicContact CB-CB 4.14Å; R257-M294 HydrophobicContact CB-CG 3.79Å; R257-M294 HydrophobicContact CB-SD 3.46Å; R257-M294 WeakPolarHBondContact CB-SD 3.27Å; R257-M294 HydrophobicContact CG-SD 3.83Å; R257-M294 WeakPolarHBondContact O-CG 2.88Å
258C80Confident79.1Confident53 Ų5362.1 Ų62.136%0.35833%0.325SS..THydrogen-bonded Turntrans-96.213.6-178.4-60.50000113.2F256 H297 L298F256-C258 PolarHBondContact O-N 3.46Å; C258-H297 VanDerWaalsContact SG-CD2 3.56Å; C258-L298 HydrophobicContact CB-CD2 4.33Å
259S84.3Confident79.6Confident19 Ų1958.8 Ų58.813%0.13331%0.312CS..  trans-79.1148.4-178.2-69.20000112.2A183 E255 F256A183-S259 WeakPolarHBondContact CB-O 3.35Å; A183-S259 PolarHBondContact N-O 3.34Å; E255-S259 PolarHBondContact O-OG 2.87Å; F256-S259 WeakPolarHBondContact O-CB 3.41Å; F256-S259 PolarHBondContact O-N 3.43Å
260S89Confident80.3Confident32 Ų3263 Ų6322%0.22434%0.335CS..  trans-84.4167.415766.60000110K180 K181 D262 S263K180-S260 WeakPolarHBondContact O-CB 3.22Å; K181-S260 WeakPolarHBondContact O-CA 3.27Å; S260-D262 PolarHBondContact O-N 2.82Å; S260-S263 PolarHBondContact O-N 3.45Å
261L87Confident81.1Confident1 Ų157.3 Ų57.31%0.00531%0.313CS..G310 helixtrans-63.2-26.9174.6-65.3-170.3000112.8I179 K180 A183 F186 M187 S263 L264 L267 P269 V272I179-L261 HydrophobicContact CG2-CD1 4.28Å; K180-L261 PolarHBondContact O-N 2.94Å; A183-L261 HydrophobicContact CB-CD2 3.82Å; F186-L261 HydrophobicContact CB-CD1 4.14Å; F186-L261 HydrophobicContact CB-CD2 3.75Å; F186-L261 HydrophobicContact CB-CG 4.45Å; F186-L261 HydrophobicContact CD1-CD2 4.41Å; F186-L261 HydrophobicContact CD2-CD1 3.79Å; F186-L261 HydrophobicContact CD2-CD2 4.39Å; F186-L261 HydrophobicContact CG-CD1 4.13Å; F186-L261 HydrophobicContact CG-CD2 3.94Å; M187-L261 HydrophobicContact CE-CD2 4.49Å; L261-S263 PolarHBondContact O-N 2.76Å; L261-S263 VanDerWaalsContact O-N 3.15Å; L261-L264 HydrophobicContact CD2-CD1 3.9Å; L261-L264 WeakPolarHBondContact O-CB 3.49Å; L261-L264 PolarHBondContact O-N 3.24Å; L261-L267 HydrophobicContact CD2-CD1 3.87Å; L261-P269 HydrophobicContact CB-CB 4.11Å; L261-P269 HydrophobicContact CB-CG 4.11Å; L261-V272 HydrophobicContact CD1-CB 4.25Å; L261-V272 HydrophobicContact CD1-CG1 4.33Å; L261-V272 HydrophobicContact CD1-CG2 3.96Å
262D86.7Confident82.2Confident96 Ų9654 Ų5451%0.51330%0.299SS..G310 helixtrans-60.9-22.9176.6-55.5-68.9000112.8K180 S260 L264 P269K180-D262 VanDerWaalsContact CE-CG 3.49Å; K180-D262 WeakPolarHBondContact CE-OD1 3.29Å; K180-D262 VanDerWaalsContact CE-OD2 3.22Å; K180-D262 WeakPolarHBondContact CE-OD2 3.26Å; K180-D262 IonicContact NZ-OD1 2.63Å; K180-D262 PolarHBondContact NZ-OD1 2.91Å; S260-D262 PolarHBondContact O-N 2.82Å; D262-L264 VanDerWaalsContact C-N 3.34Å; D262-P269 WeakPolarHBondContact OD1-CG 3.39Å
263S83.8Confident83.4Confident61 Ų6147.1 Ų47.143%0.42727%0.267SS..G310 helixtrans-86.9-2178.1-62.70000113.8K251 S260 L261K251-S263 WeakPolarHBondContact CE-O 3.35Å; K251-S263 PolarHBondContact NZ-O 3.42Å; S260-S263 PolarHBondContact O-N 3.45Å; L261-S263 PolarHBondContact O-N 2.76Å; L261-S263 VanDerWaalsContact O-N 3.15Å
264L81.9Confident84.8Confident8 Ų845.9 Ų45.94%0.04226%0.256CS..SBendtrans-108.5129.3-172.9-62.3-174.5000112A183 M187 M249 K251 F256 L261 D262 L267A183-L264 HydrophobicContact CB-CD1 3.79Å; M187-L264 HydrophobicContact CE-CD1 3.3Å; M249-L264 HydrophobicContact CE-CB 3.73Å; M249-L264 HydrophobicContact CE-CD1 3.91Å; M249-L264 HydrophobicContact CE-CD2 4.44Å; M249-L264 HydrophobicContact CE-CG 4.25Å; K251-L264 HydrophobicContact CG-CD2 4.08Å; F256-L264 HydrophobicContact CD2-CD2 3.77Å; F256-L264 HydrophobicContact CE2-CD1 4.01Å; F256-L264 HydrophobicContact CE2-CD2 3.62Å; L261-L264 HydrophobicContact CD2-CD1 3.9Å; L261-L264 WeakPolarHBondContact O-CB 3.49Å; L261-L264 PolarHBondContact O-N 3.24Å; D262-L264 VanDerWaalsContact C-N 3.34Å; L264-L267 HydrophobicContact CB-CD1 4.16Å; L264-L267 HydrophobicContact CD1-CD1 4.17Å
265D81.3Confident86.2Confident103 Ų10341.8 Ų41.855%0.55123%0.23SC*.THydrogen-bonded Turntrans-71156175.6-60.3-49.8000110.9M249 L267M249-D265 WeakPolarHBondContact CE-O 3.25Å; D265-L267 PolarHBondContact O-N 3.37Å
266N82.9Confident87.6Confident76 Ų7635.3 Ų35.341%0.40620%0.2SC..THydrogen-bonded Turntrans66.39.3178.3-48.4-54000116.3T206 K207T206-N266 CarbonylContact C-O 3.1Å; T206-N266 WeakPolarHBondContact CA-O 3.16Å; K207-N266 HydrophobicContact CB-CB 4.18Å; K207-N266 PolarHBondContact N-O 3.09Å
267L86.4Confident88.6Confident11 Ų1135.1 Ų35.16%0.05820%0.199CC..BIsolated β-bridgetrans-111.2147.4169.9-64175.7000110.2F186 M187 C205 T206 L211 M249 L261 L264 D265F186-L267 HydrophobicContact CD1-CD1 4.3Å; F186-L267 HydrophobicContact CE1-CD1 4Å; F186-L267 HydrophobicContact CE1-CD2 4.01Å; F186-L267 HydrophobicContact CE2-CD2 4.26Å; F186-L267 HydrophobicContact CZ-CD1 4.17Å; F186-L267 HydrophobicContact CZ-CD2 3.57Å; M187-L267 HydrophobicContact CE-CD1 4.47Å; C205-L267 CarbonylContact O-C 3.55Å; C205-L267 VanDerWaalsContact O-CA 3.32Å; C205-L267 WeakPolarHBondContact O-CA 3.46Å; T206-L267 HydrophobicContact CG2-CD2 3.41Å; T206-L267 VanDerWaalsContact CG2-CD2 3.41Å; L211-L267 HydrophobicContact CD1-CD2 4.34Å; M249-L267 HydrophobicContact CE-CD1 3.83Å; M249-L267 HydrophobicContact CE-CG 4.17Å; L261-L267 HydrophobicContact CD2-CD1 3.87Å; L264-L267 HydrophobicContact CB-CD1 4.16Å; L264-L267 HydrophobicContact CD1-CD1 4.17Å; D265-L267 PolarHBondContact O-N 3.37Å
268D90.3Very high89.1Confident54 Ų5436.8 Ų36.829%0.28921%0.209SC..  trans-104.3101.8160.8-169.3-27.6000108.4C205 N270 L271C205-D268 PolarHBondContact O-N 2.88Å; D268-N270 PolarHBondContact O-N 2.77Å; D268-N270 VanDerWaalsContact O-N 3.11Å; D268-N270 WeakPolarHBondContact OD1-CB 3.28Å; D268-N270 PolarHBondContact OD1-N 3.46Å; D268-L271 HydrophobicContact CB-CB 4.21Å; D268-L271 HydrophobicContact CB-CD1 3.93Å; D268-L271 HydrophobicContact CB-CG 4.13Å; D268-L271 PolarHBondContact O-N 3.45Å; D268-L271 VanDerWaalsContact O-N 3.13Å; D268-L271 WeakPolarHBondContact OD2-CD1 3.47Å
269P88.5Confident89.1Confident17 Ų1736 Ų3611%0.1120%0.204CC..THydrogen-bonded Turntrans-61.3-18.6-178.3-23.633.9000114.5K180 L261 D262 V272K180-P269 HydrophobicContact CD-CB 3.87Å; K180-P269 HydrophobicContact CG-CB 3.99Å; L261-P269 HydrophobicContact CB-CB 4.11Å; L261-P269 HydrophobicContact CB-CG 4.11Å; D262-P269 WeakPolarHBondContact OD1-CG 3.39Å; P269-V272 VanDerWaalsContact O-CG1 3.26Å; P269-V272 WeakPolarHBondContact O-CG1 3.44Å
270N90.8Very high89.1Confident105 Ų10539.2 Ų39.256%0.56122%0.22SC*.THydrogen-bonded Turntrans-85.6-18.6-179.5-60-34.9000112.4N159 K180 D268N159-N270 PolarHBondContact ND2-O 2.82Å; K180-N270 PolarHBondContact NZ-OD1 3.27Å; D268-N270 PolarHBondContact O-N 2.77Å; D268-N270 VanDerWaalsContact O-N 3.11Å; D268-N270 WeakPolarHBondContact OD1-CB 3.28Å; D268-N270 PolarHBondContact OD1-N 3.46Å
271L93Very high89.1Confident71 Ų7137.8 Ų37.837%0.37221%0.209SC..SBendtrans-99.44.9178.5-59.6176.2000112.3A203 C205 D268A203-L271 HydrophobicContact CB-CB 4.41Å; A203-L271 WeakPolarHBondContact CB-O 3.27Å; A203-L271 WeakPolarHBondContact O-CD1 3.47Å; C205-L271 HydrophobicContact CB-CB 4.38Å; D268-L271 HydrophobicContact CB-CB 4.21Å; D268-L271 HydrophobicContact CB-CD1 3.93Å; D268-L271 HydrophobicContact CB-CG 4.13Å; D268-L271 PolarHBondContact O-N 3.45Å; D268-L271 VanDerWaalsContact O-N 3.13Å; D268-L271 WeakPolarHBondContact OD2-CD1 3.47Å
272V95.1Very high89.4Confident1 Ų138.1 Ų38.11%0.00621%0.211CC..PPolyproline II helixtrans-69.7128.5176.474.60000109.6N159 F176 I179 K180 F186 F196 L261 P269N159-V272 VanDerWaalsContact CB-O 3.28Å; N159-V272 WeakPolarHBondContact CB-O 3.41Å; N159-V272 PolarHBondContact ND2-O 3.18Å; F176-V272 HydrophobicContact CB-CG1 4.2Å; F176-V272 VanDerWaalsContact CB-O 3.31Å; F176-V272 WeakPolarHBondContact CB-O 3.44Å; I179-V272 HydrophobicContact CB-CG2 4.44Å; I179-V272 HydrophobicContact CG2-CG2 3.63Å; K180-V272 HydrophobicContact CB-CG1 4.29Å; F186-V272 HydrophobicContact CD2-CG2 3.65Å; F186-V272 HydrophobicContact CE2-CG2 3.91Å; F196-V272 HydrophobicContact CE2-CG2 4.41Å; F196-V272 HydrophobicContact CZ-CG2 4.08Å; L261-V272 HydrophobicContact CD1-CB 4.25Å; L261-V272 HydrophobicContact CD1-CG1 4.33Å; L261-V272 HydrophobicContact CD1-CG2 3.96Å; P269-V272 VanDerWaalsContact O-CG1 3.26Å; P269-V272 WeakPolarHBondContact O-CG1 3.44Å
273P96.5Very high89.5Confident0 Ų037.7 Ų37.70%021%0.208CC..PPolyproline II helixtrans-76.9167.7176.231.5-34000111.1N159 M160 F196 C200N159-P273 WeakPolarHBondContact O-CA 3.4Å; N159-P273 WeakPolarHBondContact O-CB 3.03Å; M160-P273 HydrophobicContact SD-CB 3.8Å; F196-P273 HydrophobicContact CD2-CG 3.85Å; F196-P273 HydrophobicContact CE2-CG 3.71Å; F196-P273 WeakPolarHBondContact CE2-O 3.25Å; F196-P273 HydrophobicContact CZ-CG 4.41Å; C200-P273 HydrophobicContact CB-CG 4.13Å
274S97.7Very high89.6Confident1 Ų137.5 Ų37.51%0.00720%0.2CC..PPolyproline II helixtrans-73.2162.7161.4-55.90000110.1L158 T174 C175 F176L158-S274 WeakPolarHBondContact CD2-OG 3.47Å; L158-S274 VanDerWaalsContact O-CB 3.29Å; L158-S274 WeakPolarHBondContact O-CB 3.36Å; L158-S274 PolarHBondContact O-N 3.25Å; L158-S274 PolarHBondContact O-OG 2.86Å; T174-S274 WeakPolarHBondContact O-CA 3.41Å; T174-S274 WeakPolarHBondContact O-CB 3.42Å; C175-S274 WeakPolarHBondContact CA-OG 3.3Å; F176-S274 PolarHBondContact N-OG 2.85Å
275V97.1Very high90.1Very high1 Ų137.6 Ų37.61%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-118.1134.4177.957.50000110.3M173 T174 I179 A189 E193 F196 W277M173-V275 CarbonylContact C-O 3.56Å; M173-V275 VanDerWaalsContact CA-O 3.31Å; M173-V275 WeakPolarHBondContact CA-O 3.47Å; T174-V275 HydrophobicContact CG2-CG1 4.48Å; T174-V275 PolarHBondContact N-O 3.21Å; T174-V275 PolarHBondContact O-N 2.93Å; I179-V275 HydrophobicContact CD1-CG1 3.66Å; I179-V275 HydrophobicContact CG1-CG1 4.12Å; A189-V275 HydrophobicContact CB-CB 4.23Å; A189-V275 HydrophobicContact CB-CG1 4.47Å; A189-V275 HydrophobicContact CB-CG2 3.9Å; E193-V275 HydrophobicContact CB-CG2 4.24Å; E193-V275 HydrophobicContact CG-CG2 3.93Å; F196-V275 HydrophobicContact CB-CB 4.48Å; F196-V275 HydrophobicContact CB-CG2 4.1Å; F196-V275 HydrophobicContact CD2-CB 3.63Å; F196-V275 HydrophobicContact CD2-CG2 4.15Å; F196-V275 HydrophobicContact CE2-CB 4.18Å; F196-V275 HydrophobicContact CG-CB 4.27Å; F196-V275 HydrophobicContact CG-CG2 4.3Å; V275-W277 HydrophobicContact CB-CZ2 4.47Å; V275-W277 HydrophobicContact CG1-CD2 4.22Å; V275-W277 VanDerWaalsContact CG1-CE2 3.45Å; V275-W277 HydrophobicContact CG1-CH2 4.32Å; V275-W277 HydrophobicContact CG1-CZ2 3.52Å; V275-W277 HydrophobicContact CG2-CD2 3.81Å; V275-W277 HydrophobicContact CG2-CE3 3.98Å; V275-W277 HydrophobicContact CG2-CG 4.35Å; V275-W277 HydrophobicContact CG2-CH2 4.3Å; V275-W277 HydrophobicContact CG2-CZ2 4.15Å; V275-W277 HydrophobicContact CG2-CZ3 4.22Å
276F96.4Very high90.6Very high2 Ų233.1 Ų33.11%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-105.8110.4170.2-69-97.7000107.2I144 L155 L158 M160 F164 P166 P167 Y170 M173 I278I144-F276 HydrophobicContact CD1-CE1 3.72Å; I144-F276 HydrophobicContact CD1-CZ 3.95Å; I144-F276 HydrophobicContact CG2-CE1 4.44Å; L155-F276 HydrophobicContact CD1-CZ 4.24Å; L158-F276 HydrophobicContact CD1-CE2 4.28Å; L158-F276 HydrophobicContact CD1-CZ 3.73Å; M160-F276 HydrophobicContact CE-CD2 4.47Å; M160-F276 HydrophobicContact CE-CE2 4.34Å; M160-F276 HydrophobicContact CG-CE2 4.47Å; M160-F276 HydrophobicContact SD-CE2 4.42Å; F164-F276 HydrophobicContact CD1-CE2 4.49Å; F164-F276 AromaticContact CE1-CD2 3.89Å; F164-F276 HydrophobicContact CE1-CD2 3.89Å; F164-F276 AromaticContact CE1-CE2 3.44Å; F164-F276 HydrophobicContact CE1-CE2 3.44Å; F164-F276 VanDerWaalsContact CE1-CE2 3.44Å; F164-F276 AromaticContact CE1-CZ 3.89Å; F164-F276 HydrophobicContact CE1-CZ 3.89Å; F164-F276 AromaticContact CZ-CD2 3.77Å; F164-F276 HydrophobicContact CZ-CD2 3.77Å; F164-F276 AromaticContact CZ-CE2 3.83Å; F164-F276 HydrophobicContact CZ-CE2 3.83Å; F164-F276 HydrophobicContact CZ-CG 4.47Å; P166-F276 HydrophobicContact CB-CD1 3.98Å; P166-F276 HydrophobicContact CB-CE1 3.68Å; P166-F276 HydrophobicContact CB-CZ 4.26Å; P166-F276 HydrophobicContact CG-CE1 3.83Å; P166-F276 HydrophobicContact CG-CZ 4.02Å; P167-F276 HydrophobicContact CG-CB 4.46Å; Y170-F276 HydrophobicContact CD1-CD1 4.42Å; Y170-F276 AromaticContact CD2-CD1 3.64Å; Y170-F276 HydrophobicContact CD2-CD1 3.64Å; Y170-F276 HydrophobicContact CD2-CE1 4.42Å; Y170-F276 AromaticContact CE2-CD1 3.85Å; Y170-F276 HydrophobicContact CE2-CD1 3.85Å; Y170-F276 HydrophobicContact CE2-CE1 4.18Å; Y170-F276 HydrophobicContact CG-CB 4.48Å; Y170-F276 AromaticContact CG-CD1 3.92Å; Y170-F276 HydrophobicContact CG-CD1 3.92Å; M173-F276 HydrophobicContact CB-CD1 4.14Å; M173-F276 HydrophobicContact CB-CE1 4.13Å; M173-F276 HydrophobicContact CG-CD1 4.14Å; M173-F276 HydrophobicContact CG-CE1 3.85Å; M173-F276 HydrophobicContact CG-CE2 4.3Å; M173-F276 HydrophobicContact CG-CG 4.48Å; M173-F276 HydrophobicContact CG-CZ 3.95Å; F276-I278 PolarHBondContact O-N 2.79Å
277W94.8Very high91.1Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-84.2108.8-174.3-57.4104.7000110.1N171 E172 T174 H188 A189 E193 V275 W281N171-W277 PolarHBondContact N-O 2.88Å; E172-W277 VanDerWaalsContact O-CD1 3.27Å; E172-W277 PolarHBondContact O-N 2.63Å; T174-W277 PolarHBondContact OG1-NE1 3.01Å; H188-W277 HydrophobicContact CB-CH2 4.31Å; H188-W277 AromaticContact CD2-CH2 3.77Å; H188-W277 AromaticContact CD2-CZ3 3.63Å; A189-W277 HydrophobicContact CB-CH2 3.58Å; A189-W277 HydrophobicContact CB-CZ2 4.31Å; A189-W277 HydrophobicContact CB-CZ3 3.97Å; E193-W277 HydrophobicContact CG-CD2 4.43Å; E193-W277 HydrophobicContact CG-CE3 3.43Å; E193-W277 VanDerWaalsContact CG-CE3 3.43Å; E193-W277 HydrophobicContact CG-CZ3 3.66Å; V275-W277 HydrophobicContact CB-CZ2 4.47Å; V275-W277 HydrophobicContact CG1-CD2 4.22Å; V275-W277 VanDerWaalsContact CG1-CE2 3.45Å; V275-W277 HydrophobicContact CG1-CH2 4.32Å; V275-W277 HydrophobicContact CG1-CZ2 3.52Å; V275-W277 HydrophobicContact CG2-CD2 3.81Å; V275-W277 HydrophobicContact CG2-CE3 3.98Å; V275-W277 HydrophobicContact CG2-CG 4.35Å; V275-W277 HydrophobicContact CG2-CH2 4.3Å; V275-W277 HydrophobicContact CG2-CZ2 4.15Å; V275-W277 HydrophobicContact CG2-CZ3 4.22Å; W277-W281 HydrophobicContact CB-CB 4.3Å; W277-W281 HydrophobicContact CB-CG 3.9Å; W277-W281 AromaticContact CD1-CD1 3.71Å; W277-W281 AromaticContact CD1-CE2 3.82Å; W277-W281 AromaticContact CD1-NE1 3.45Å; W277-W281 HydrophobicContact CD2-CB 3.75Å; W277-W281 AromaticContact CD2-CD1 3.61Å; W277-W281 AromaticContact CD2-CD2 3.68Å; W277-W281 HydrophobicContact CD2-CD2 3.68Å; W277-W281 HydrophobicContact CD2-CE3 4.36Å; W277-W281 AromaticContact CD2-CG 3.38Å; W277-W281 HydrophobicContact CD2-CG 3.38Å; W277-W281 AromaticContact CD2-NE1 3.97Å; W277-W281 AromaticContact CE2-CD2 3.68Å; W277-W281 AromaticContact CE2-CE2 3.83Å; W277-W281 AromaticContact CE2-CG 3.93Å; W277-W281 HydrophobicContact CE3-CB 3.3Å; W277-W281 AromaticContact CE3-CD2 4Å; W277-W281 HydrophobicContact CE3-CD2 4Å; W277-W281 HydrophobicContact CE3-CE3 4.45Å; W277-W281 AromaticContact CE3-CG 3.51Å; W277-W281 HydrophobicContact CE3-CG 3.51Å; W277-W281 HydrophobicContact CG-CB 4.2Å; W277-W281 AromaticContact CG-CD1 3.25Å; W277-W281 HydrophobicContact CG-CD2 4.07Å; W277-W281 AromaticContact CG-CG 3.58Å; W277-W281 HydrophobicContact CG-CG 3.58Å; W277-W281 AromaticContact CG-NE1 3.52Å; W277-W281 HydrophobicContact CH2-CD2 4.32Å; W277-W281 HydrophobicContact CH2-CE3 4.03Å; W277-W281 HydrophobicContact CZ2-CD2 4.02Å; W277-W281 AromaticContact CZ2-CE3 3.9Å; W277-W281 HydrophobicContact CZ2-CE3 3.9Å; W277-W281 HydrophobicContact CZ2-CZ3 4.16Å; W277-W281 HydrophobicContact CZ3-CB 3.82Å; W277-W281 HydrophobicContact CZ3-CD2 4.31Å; W277-W281 HydrophobicContact CZ3-CE3 4.3Å; W277-W281 HydrophobicContact CZ3-CG 4.15Å; W277-W281 AromaticContact NE1-CE2 3.68Å; W277-W281 AromaticContact NE1-CZ2 3.98Å; W277-W281 AromaticContact NE1-NE1 3.82Å
278I88.3Confident91.4Very high61 Ų6135.6 Ų35.631%0.31318%0.184SC..  trans-83.6-32.6177.3-56.1171.9000110.1P167 N171 E193 F276P167-I278 HydrophobicContact CB-CD1 4.14Å; P167-I278 HydrophobicContact CB-CG1 4.26Å; P167-I278 HydrophobicContact CG-CD1 3.99Å; P167-I278 HydrophobicContact CG-CG1 4.2Å; N171-I278 PolarHBondContact ND2-O 3.03Å; E193-I278 PolarHBondContact OE2-N 3.04Å; F276-I278 PolarHBondContact O-N 2.79Å
279S80.3Confident91.5Very high35 Ų3538.5 Ų38.525%0.24520%0.196CC..SBendtrans-85.7165.117876.40000112.4E193 W281E193-S279 PolarHBondContact OE1-OG 3.08Å; S279-W281 PolarHBondContact O-N 3.41Å
280D83.9Confident91.6Very high88 Ų8841 Ų4147%0.47121%0.208SC..  trans-73.666.9166.8-172-4.2000110.1R282 N283 F284D280-R282 PolarHBondContact O-N 3.35Å; D280-N283 WeakPolarHBondContact O-CB 3.42Å; D280-N283 PolarHBondContact O-N 3.19Å; D280-N283 PolarHBondContact OD2-ND2 2.92Å; D280-F284 WeakPolarHBondContact O-CD2 3.42Å
281W88.9Confident91.7Very high2 Ų236 Ų361%0.00818%0.182CC..Hα-helixtrans-58.4-33.9-170.974.2-84000112.6I148 L185 H188 W277 S279 N283 F284 L285 L303I148-W281 HydrophobicContact CD1-CH2 4.17Å; I148-W281 HydrophobicContact CD1-CZ2 4.4Å; L185-W281 HydrophobicContact CD2-CH2 3.85Å; L185-W281 HydrophobicContact CD2-CZ3 3.61Å; H188-W281 AromaticContact CD2-CE3 3.88Å; H188-W281 PolarHBondContact NE2-O 3.47Å; W277-W281 HydrophobicContact CB-CB 4.3Å; W277-W281 HydrophobicContact CB-CG 3.9Å; W277-W281 AromaticContact CD1-CD1 3.71Å; W277-W281 AromaticContact CD1-CE2 3.82Å; W277-W281 AromaticContact CD1-NE1 3.45Å; W277-W281 HydrophobicContact CD2-CB 3.75Å; W277-W281 AromaticContact CD2-CD1 3.61Å; W277-W281 AromaticContact CD2-CD2 3.68Å; W277-W281 HydrophobicContact CD2-CD2 3.68Å; W277-W281 HydrophobicContact CD2-CE3 4.36Å; W277-W281 AromaticContact CD2-CG 3.38Å; W277-W281 HydrophobicContact CD2-CG 3.38Å; W277-W281 AromaticContact CD2-NE1 3.97Å; W277-W281 AromaticContact CE2-CD2 3.68Å; W277-W281 AromaticContact CE2-CE2 3.83Å; W277-W281 AromaticContact CE2-CG 3.93Å; W277-W281 HydrophobicContact CE3-CB 3.3Å; W277-W281 AromaticContact CE3-CD2 4Å; W277-W281 HydrophobicContact CE3-CD2 4Å; W277-W281 HydrophobicContact CE3-CE3 4.45Å; W277-W281 AromaticContact CE3-CG 3.51Å; W277-W281 HydrophobicContact CE3-CG 3.51Å; W277-W281 HydrophobicContact CG-CB 4.2Å; W277-W281 AromaticContact CG-CD1 3.25Å; W277-W281 HydrophobicContact CG-CD2 4.07Å; W277-W281 AromaticContact CG-CG 3.58Å; W277-W281 HydrophobicContact CG-CG 3.58Å; W277-W281 AromaticContact CG-NE1 3.52Å; W277-W281 HydrophobicContact CH2-CD2 4.32Å; W277-W281 HydrophobicContact CH2-CE3 4.03Å; W277-W281 HydrophobicContact CZ2-CD2 4.02Å; W277-W281 AromaticContact CZ2-CE3 3.9Å; W277-W281 HydrophobicContact CZ2-CE3 3.9Å; W277-W281 HydrophobicContact CZ2-CZ3 4.16Å; W277-W281 HydrophobicContact CZ3-CB 3.82Å; W277-W281 HydrophobicContact CZ3-CD2 4.31Å; W277-W281 HydrophobicContact CZ3-CE3 4.3Å; W277-W281 HydrophobicContact CZ3-CG 4.15Å; W277-W281 AromaticContact NE1-CE2 3.68Å; W277-W281 AromaticContact NE1-CZ2 3.98Å; W277-W281 AromaticContact NE1-NE1 3.82Å; S279-W281 PolarHBondContact O-N 3.41Å; W281-N283 PolarHBondContact O-N 2.96Å; W281-F284 WeakPolarHBondContact O-CA 3.31Å; W281-F284 PolarHBondContact O-N 3.18Å; W281-L285 HydrophobicContact CE3-CD1 4.36Å; W281-L285 HydrophobicContact CE3-CD2 4.17Å; W281-L285 HydrophobicContact CE3-CG 4.22Å; W281-L285 HydrophobicContact CZ3-CD1 3.9Å; W281-L285 HydrophobicContact CZ3-CD2 3.93Å; W281-L285 HydrophobicContact CZ3-CG 4.13Å; W281-L285 PolarHBondContact O-N 2.9Å; W281-L303 HydrophobicContact CH2-CD1 4.16Å; W281-L303 HydrophobicContact CH2-CD2 3.74Å; W281-L303 HydrophobicContact CH2-CG 4.46Å; W281-L303 HydrophobicContact CZ2-CD2 4.12Å
282R92Very high91.7Very high8 Ų836.6 Ų36.63%0.0318%0.181CC..Hα-helixtrans-57.8-35.5176.4-66.6-176179.8-131.7-0111.8E172 D280 F284 L285 F302 D308E172-R282 IonicContact OE1-CZ 3.34Å; E172-R282 IonicContact OE1-NE 3.3Å; E172-R282 PolarHBondContact OE1-NE 2.79Å; E172-R282 IonicContact OE1-NH2 3Å; E172-R282 PolarHBondContact OE1-NH2 3.14Å; E172-R282 IonicContact OE2-CZ 2.98Å; E172-R282 IonicContact OE2-NE 3.7Å; E172-R282 PolarHBondContact OE2-NE 3.42Å; E172-R282 IonicContact OE2-NH2 3.64Å; E172-R282 PolarHBondContact OE2-NH2 3.3Å; D280-R282 PolarHBondContact O-N 3.35Å; R282-F284 VanDerWaalsContact C-N 3.28Å; R282-F284 PolarHBondContact O-N 2.87Å; R282-L285 WeakPolarHBondContact O-CB 3.15Å; R282-L285 PolarHBondContact O-N 3.11Å; R282-F302 PolarHBondContact NH1-O 3.2Å; R282-D308 IonicContact CZ-OD2 3.51Å; R282-D308 VanDerWaalsContact CZ-OD2 3.31Å; R282-D308 IonicContact NH1-OD2 2.67Å; R282-D308 PolarHBondContact NH1-OD2 2.82Å; R282-D308 IonicContact NH2-OD2 2.87Å; R282-D308 PolarHBondContact NH2-OD2 3.18Å
283N88.5Confident91.7Very high87 Ų8742.6 Ų42.647%0.46521%0.207SC..Hα-helixtrans-74-16.5175.9-83.8-26.1000114D280 W281D280-N283 WeakPolarHBondContact O-CB 3.42Å; D280-N283 PolarHBondContact O-N 3.19Å; D280-N283 PolarHBondContact OD2-ND2 2.92Å; W281-N283 PolarHBondContact O-N 2.96Å
284F87.7Confident91.5Very high57 Ų5742.8 Ų42.825%0.2521%0.208CC..Hα-helixtrans-91.8-4.8174.1-60.8-62.5000113.7H188 R241 D280 W281 R282H188-F284 WeakPolarHBondContact CE1-CB 3.47Å; H188-F284 PolarHBondContact CE1-O 3.45Å; R241-F284 PolarHBondContact NH1-O 2.97Å; D280-F284 WeakPolarHBondContact O-CD2 3.42Å; W281-F284 WeakPolarHBondContact O-CA 3.31Å; W281-F284 PolarHBondContact O-N 3.18Å; R282-F284 VanDerWaalsContact C-N 3.28Å; R282-F284 PolarHBondContact O-N 2.87Å
285L91.5Very high91.4Very high9 Ų942.8 Ų42.85%0.04721%0.208CC..SBendtrans-61.7137.8170.8-68.3178.1000111.2F184 W281 R282 R287 L303 L304F184-L285 HydrophobicContact CD2-CD2 4.4Å; F184-L285 HydrophobicContact CE2-CD2 4.12Å; W281-L285 HydrophobicContact CE3-CD1 4.36Å; W281-L285 HydrophobicContact CE3-CD2 4.17Å; W281-L285 HydrophobicContact CE3-CG 4.22Å; W281-L285 HydrophobicContact CZ3-CD1 3.9Å; W281-L285 HydrophobicContact CZ3-CD2 3.93Å; W281-L285 HydrophobicContact CZ3-CG 4.13Å; W281-L285 PolarHBondContact O-N 2.9Å; R282-L285 WeakPolarHBondContact O-CB 3.15Å; R282-L285 PolarHBondContact O-N 3.11Å; L285-R287 PolarHBondContact O-N 3.44Å; L285-L303 HydrophobicContact CD1-CB 3.8Å; L285-L304 HydrophobicContact CB-CD2 4.12Å; L285-L304 HydrophobicContact CD1-CD2 4.28Å
286C91.9Very high91.3Very high9 Ų949.5 Ų49.56%0.06124%0.237CC..  trans-70.2130.9180-172.60000110.7R241 C291 Y295R241-C286 HydrophobicContact CB-CB 4.11Å; R241-C286 HydrophobicContact CG-CB 4.3Å; C286-C291 HydrophobicContact CB-CB 4.19Å; C286-C291 VanDerWaalsContact O-CB 3.28Å; C286-C291 WeakPolarHBondContact O-CB 3.45Å; C286-Y295 PolarHBondContact N-OH 3Å; C286-Y295 VanDerWaalsContact O-CE2 3.28Å; C286-Y295 WeakPolarHBondContact O-CE2 3.28Å; C286-Y295 PolarHBondContact O-OH 3.03Å
287R93.2Very high91.2Very high110 Ų11055.8 Ų55.842%0.41527%0.266SS..  trans-105.515.5-179.8-64.4-178.5177.9-98.9-3.2113.6L285 K292 L304L285-R287 PolarHBondContact O-N 3.44Å; R287-K292 WeakPolarHBondContact O-CE 3.31Å; R287-L304 HydrophobicContact CG-CD2 4.33Å; R287-L304 PolarHBondContact NH1-O 3.42Å; R287-L304 PolarHBondContact NH2-O 3.46Å
288C92.4Very high91.2Very high29 Ų2957.2 Ų57.220%0.19627%0.274CS..SBendtrans-65.6159173.278.60000110.8D290 C291 K292C288-D290 PolarHBondContact O-N 3.05Å; C288-C291 PolarHBondContact O-N 3.22Å; C288-K292 PolarHBondContact O-N 3.36Å
289E92.4Very high91.5Very high116 Ų11662 Ų6254%0.54229%0.292SS..Hα-helixtrans-63.5-31.2-170.7-163.357.9-173.800113.9K292 K293E289-K292 WeakPolarHBondContact OE2-CD 3.39Å; E289-K293 VanDerWaalsContact O-CG 3.32Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 2.83Å; E289-K293 VanDerWaalsContact O-N 3.09Å
290D91.1Very high92.2Very high70 Ų7060.4 Ų60.437%0.37428%0.281SS..Hα-helixtrans-66.5-40.7173.5-86.2-8.2000113.4R257 C288 M294R257-D290 IonicContact CZ-OD2 3.4Å; R257-D290 IonicContact NH1-OD1 2.89Å; R257-D290 IonicContact NH1-OD2 2.73Å; R257-D290 PolarHBondContact NH1-OD2 2.83Å; R257-D290 IonicContact NH2-OD2 3.19Å; R257-D290 PolarHBondContact NH2-OD2 3.31Å; C288-D290 PolarHBondContact O-N 3.05Å; D290-M294 PolarHBondContact O-N 3.44Å; D290-M294 VanDerWaalsContact O-N 3.15Å
291C92.7Very high92.8Very high0 Ų060.2 Ų60.20%028%0.277CS..Hα-helixtrans-72.2-38.4176.5-69.40000111C240 C286 C288 K293 M294 Y295C240-C291 VanDerWaalsContact SG-SG 3.64Å; C286-C291 HydrophobicContact CB-CB 4.19Å; C286-C291 VanDerWaalsContact O-CB 3.28Å; C286-C291 WeakPolarHBondContact O-CB 3.45Å; C288-C291 PolarHBondContact O-N 3.22Å; C291-K293 VanDerWaalsContact C-N 3.33Å; C291-K293 PolarHBondContact O-N 3.21Å; C291-M294 WeakPolarHBondContact O-CB 3.27Å; C291-M294 PolarHBondContact O-N 2.87Å; C291-M294 VanDerWaalsContact O-N 3.1Å; C291-Y295 HydrophobicContact CB-CE2 3.81Å; C291-Y295 WeakPolarHBondContact O-CD2 3.13Å; C291-Y295 WeakPolarHBondContact O-CE2 3.23Å; C291-Y295 VanDerWaalsContact O-CG 3.31Å; C291-Y295 PolarHBondContact O-N 3.35Å
292K94.2Very high93.1Very high82 Ų8262.3 Ų62.336%0.35729%0.287SS..Hα-helixtrans-57-45.4173.3-73.5173.3173.2170.70111.9R287 C288 E289 M294 Y295 K296 L304R287-K292 WeakPolarHBondContact O-CE 3.31Å; C288-K292 PolarHBondContact O-N 3.36Å; E289-K292 WeakPolarHBondContact OE2-CD 3.39Å; K292-M294 VanDerWaalsContact C-N 3.33Å; K292-M294 PolarHBondContact O-N 2.96Å; K292-Y295 PolarHBondContact O-N 3.29Å; K292-K296 PolarHBondContact O-N 3.43Å; K292-K296 VanDerWaalsContact O-N 3.12Å; K292-L304 HydrophobicContact CG-CD1 4.29Å
293K93.6Very high93.3Very high127 Ų12762 Ų6255%0.55229%0.285SS*.Hα-helixtrans-60.9-40.3174-72.8170.1-174.3169.70112.5E289 C291 K296 H297E289-K293 VanDerWaalsContact O-CG 3.32Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 2.83Å; E289-K293 VanDerWaalsContact O-N 3.09Å; C291-K293 VanDerWaalsContact C-N 3.33Å; C291-K293 PolarHBondContact O-N 3.21Å; K293-K296 PolarHBondContact O-N 3.3Å; K293-H297 WeakPolarHBondContact O-CB 3.36Å; K293-H297 PolarHBondContact O-N 3.43Å
294M94Very high93.6Very high4 Ų459.1 Ų59.12%0.0227%0.27CS..Hα-helixtrans-62.6-51.6176.2174-163.179.900111.7F184 L242 R257 D290 C291 K292 K296 H297 L298F184-M294 HydrophobicContact CB-CE 4.12Å; F184-M294 HydrophobicContact CB-SD 4.3Å; F184-M294 HydrophobicContact CD1-CE 3.74Å; F184-M294 HydrophobicContact CD1-SD 4.19Å; F184-M294 HydrophobicContact CD2-CE 4.1Å; F184-M294 HydrophobicContact CE1-CE 4.16Å; F184-M294 HydrophobicContact CE2-CE 4.49Å; F184-M294 HydrophobicContact CG-CE 3.71Å; F184-M294 HydrophobicContact CG-SD 4.35Å; L242-M294 HydrophobicContact CD1-CE 3.84Å; L242-M294 HydrophobicContact CD1-SD 3.84Å; R257-M294 VanDerWaalsContact C-SD 3.58Å; R257-M294 HydrophobicContact CB-CB 4.14Å; R257-M294 HydrophobicContact CB-CG 3.79Å; R257-M294 HydrophobicContact CB-SD 3.46Å; R257-M294 WeakPolarHBondContact CB-SD 3.27Å; R257-M294 HydrophobicContact CG-SD 3.83Å; R257-M294 WeakPolarHBondContact O-CG 2.88Å; D290-M294 PolarHBondContact O-N 3.44Å; D290-M294 VanDerWaalsContact O-N 3.15Å; C291-M294 WeakPolarHBondContact O-CB 3.27Å; C291-M294 PolarHBondContact O-N 2.87Å; C291-M294 VanDerWaalsContact O-N 3.1Å; K292-M294 VanDerWaalsContact C-N 3.33Å; K292-M294 PolarHBondContact O-N 2.96Å; M294-K296 PolarHBondContact O-N 3.14Å; M294-H297 PolarHBondContact O-N 3.16Å; M294-H297 VanDerWaalsContact O-N 3.16Å; M294-L298 HydrophobicContact CG-CD1 3.74Å; M294-L298 HydrophobicContact CG-CG 4.42Å; M294-L298 WeakPolarHBondContact O-CB 3.39Å; M294-L298 WeakPolarHBondContact O-CG 3.46Å; M294-L298 PolarHBondContact O-N 3.27Å
295Y95.6Very high93.9Very high2 Ų258.8 Ų58.81%0.00827%0.271CS..Hα-helixtrans-57.9-39.2179.3-54.7-51.9000111.3F184 C286 C291 K292 L298 K299 V300 L304F184-Y295 HydrophobicContact CD2-CE1 4.06Å; F184-Y295 HydrophobicContact CE1-CD1 4.46Å; F184-Y295 HydrophobicContact CE2-CD1 4.23Å; F184-Y295 AromaticContact CE2-CE1 3.65Å; F184-Y295 HydrophobicContact CE2-CE1 3.65Å; F184-Y295 HydrophobicContact CZ-CD1 4.01Å; F184-Y295 AromaticContact CZ-CE1 3.92Å; F184-Y295 HydrophobicContact CZ-CE1 3.92Å; C286-Y295 PolarHBondContact N-OH 3Å; C286-Y295 VanDerWaalsContact O-CE2 3.28Å; C286-Y295 WeakPolarHBondContact O-CE2 3.28Å; C286-Y295 PolarHBondContact O-OH 3.03Å; C291-Y295 HydrophobicContact CB-CE2 3.81Å; C291-Y295 WeakPolarHBondContact O-CD2 3.13Å; C291-Y295 WeakPolarHBondContact O-CE2 3.23Å; C291-Y295 VanDerWaalsContact O-CG 3.31Å; C291-Y295 PolarHBondContact O-N 3.35Å; K292-Y295 PolarHBondContact O-N 3.29Å; Y295-L298 CarbonylContact O-C 3.59Å; Y295-L298 PolarHBondContact O-N 3Å; Y295-K299 PolarHBondContact O-N 3.26Å; Y295-V300 HydrophobicContact CD1-CG2 4.23Å; Y295-V300 PolarHBondContact O-N 3.23Å; Y295-L304 HydrophobicContact CD2-CD1 3.62Å; Y295-L304 HydrophobicContact CD2-CD2 4.1Å; Y295-L304 HydrophobicContact CD2-CG 3.91Å; Y295-L304 HydrophobicContact CE2-CD1 3.94Å; Y295-L304 HydrophobicContact CE2-CD2 3.75Å; Y295-L304 HydrophobicContact CE2-CG 4.09Å
296K94.9Very high93.7Very high141 Ų14162 Ų6261%0.61329%0.292SS*.Hα-helixtrans-63.8-47.7175174.7157-170.6176.20114K292 K293 M294 L298 K299 E301K292-K296 PolarHBondContact O-N 3.43Å; K292-K296 VanDerWaalsContact O-N 3.12Å; K293-K296 PolarHBondContact O-N 3.3Å; M294-K296 PolarHBondContact O-N 3.14Å; K296-L298 VanDerWaalsContact C-N 3.25Å; K296-L298 PolarHBondContact O-N 3.47Å; K296-K299 PolarHBondContact O-N 2.94Å; K296-K299 VanDerWaalsContact O-N 3.15Å; K296-E301 VanDerWaalsContact CA-CG 3.48Å; K296-E301 VanDerWaalsContact CA-OE1 3.26Å; K296-E301 WeakPolarHBondContact CA-OE1 3.33Å; K296-E301 HydrophobicContact CB-CG 3.82Å; K296-E301 WeakPolarHBondContact CB-OE1 3.46Å; K296-E301 WeakPolarHBondContact CD-OE1 3.47Å; K296-E301 WeakPolarHBondContact CG-OE1 3.34Å
297H94.1Very high93.7Very high134 Ų13465.7 Ų65.762%0.6231%0.309SS*.Hα-helixtrans-60.3-39.1176.7-178.273.2000112.1C258 K293 M294 K299C258-H297 VanDerWaalsContact SG-CD2 3.56Å; K293-H297 WeakPolarHBondContact O-CB 3.36Å; K293-H297 PolarHBondContact O-N 3.43Å; M294-H297 PolarHBondContact O-N 3.16Å; M294-H297 VanDerWaalsContact O-N 3.16Å; H297-K299 VanDerWaalsContact C-N 3.29Å; H297-K299 PolarHBondContact O-N 2.91Å
298L94.3Very high93.7Very high31 Ų3160.9 Ų60.916%0.16229%0.291CS..THydrogen-bonded Turntrans-81.6-3.2179.6-65176.1000113.9Y182 F184 C258 M294 Y295 K296 V300Y182-L298 HydrophobicContact CD1-CB 4.38Å; Y182-L298 HydrophobicContact CD1-CD1 4.01Å; Y182-L298 HydrophobicContact CD1-CD2 4.3Å; Y182-L298 HydrophobicContact CD1-CG 4.47Å; Y182-L298 HydrophobicContact CE1-CB 4.02Å; Y182-L298 HydrophobicContact CE1-CD1 4.48Å; Y182-L298 HydrophobicContact CE1-CD2 4.26Å; Y182-L298 HydrophobicContact CE1-CG 4.49Å; F184-L298 HydrophobicContact CD1-CD1 4.1Å; F184-L298 HydrophobicContact CE1-CD1 3.91Å; C258-L298 HydrophobicContact CB-CD2 4.33Å; M294-L298 HydrophobicContact CG-CD1 3.74Å; M294-L298 HydrophobicContact CG-CG 4.42Å; M294-L298 WeakPolarHBondContact O-CB 3.39Å; M294-L298 WeakPolarHBondContact O-CG 3.46Å; M294-L298 PolarHBondContact O-N 3.27Å; Y295-L298 CarbonylContact O-C 3.59Å; Y295-L298 PolarHBondContact O-N 3Å; K296-L298 VanDerWaalsContact C-N 3.25Å; K296-L298 PolarHBondContact O-N 3.47Å; L298-V300 VanDerWaalsContact C-N 3.33Å; L298-V300 HydrophobicContact CB-CG2 3.9Å; L298-V300 PolarHBondContact O-N 3.43Å
299K94.3Very high93.6Very high160 Ų16060.3 Ų60.370%0.69629%0.288SS*.THydrogen-bonded Turntrans56.441.5-176-56.2-178.3177.8-176.30113.5Y295 K296 H297Y295-K299 PolarHBondContact O-N 3.26Å; K296-K299 PolarHBondContact O-N 2.94Å; K296-K299 VanDerWaalsContact O-N 3.15Å; H297-K299 VanDerWaalsContact C-N 3.29Å; H297-K299 PolarHBondContact O-N 2.91Å
300V95.9Very high93.5Very high2 Ų256.1 Ų56.11%0.01227%0.27CS..  trans-125.628.8178.1-62.70000111.7Y182 F184 Y295 L298 F302 L303Y182-V300 HydrophobicContact CE1-CG1 4.22Å; Y182-V300 HydrophobicContact CE2-CG1 4.18Å; F184-V300 HydrophobicContact CE1-CG2 4.31Å; F184-V300 HydrophobicContact CZ-CG2 4.17Å; Y295-V300 HydrophobicContact CD1-CG2 4.23Å; Y295-V300 PolarHBondContact O-N 3.23Å; L298-V300 VanDerWaalsContact C-N 3.33Å; L298-V300 HydrophobicContact CB-CG2 3.9Å; L298-V300 PolarHBondContact O-N 3.43Å; V300-F302 HydrophobicContact CB-CE1 4.13Å; V300-F302 HydrophobicContact CB-CZ 4.37Å; V300-F302 HydrophobicContact CG1-CE1 4.09Å; V300-F302 HydrophobicContact CG1-CZ 4.25Å; V300-F302 PolarHBondContact O-N 2.94Å; V300-L303 HydrophobicContact CB-CD1 3.9Å; V300-L303 HydrophobicContact CB-CG 4.2Å; V300-L303 HydrophobicContact CG2-CD1 4.11Å; V300-L303 WeakPolarHBondContact O-CB 3.19Å; V300-L303 WeakPolarHBondContact O-CG 3.3Å; V300-L303 PolarHBondContact O-N 3.45Å
301E95.5Very high93.4Very high85 Ų8555.3 Ų55.340%0.39727%0.27SS..G310 helixtrans-59.8-27177.4-63.5119.4132.400113.1K296 L303 L304K296-E301 VanDerWaalsContact CA-CG 3.48Å; K296-E301 VanDerWaalsContact CA-OE1 3.26Å; K296-E301 WeakPolarHBondContact CA-OE1 3.33Å; K296-E301 HydrophobicContact CB-CG 3.82Å; K296-E301 WeakPolarHBondContact CB-OE1 3.46Å; K296-E301 WeakPolarHBondContact CD-OE1 3.47Å; K296-E301 WeakPolarHBondContact CG-OE1 3.34Å; E301-L303 PolarHBondContact O-N 3.36Å; E301-L303 VanDerWaalsContact O-N 3.08Å; E301-L304 WeakPolarHBondContact O-CB 3.29Å; E301-L304 PolarHBondContact O-N 3.16Å
302F95.6Very high93.3Very high46 Ų4658 Ų5820%0.20228%0.282CS..G310 helixtrans-56.3-23.9177.264.2-100.7000112.9I148 R282 V300 L304 D305 D308I148-F302 HydrophobicContact CG2-CZ 4.37Å; R282-F302 PolarHBondContact NH1-O 3.2Å; V300-F302 HydrophobicContact CB-CE1 4.13Å; V300-F302 HydrophobicContact CB-CZ 4.37Å; V300-F302 HydrophobicContact CG1-CE1 4.09Å; V300-F302 HydrophobicContact CG1-CZ 4.25Å; V300-F302 PolarHBondContact O-N 2.94Å; F302-L304 PolarHBondContact O-N 2.92Å; F302-L304 VanDerWaalsContact O-N 3.17Å; F302-D305 PolarHBondContact O-N 3.1Å; F302-D308 WeakPolarHBondContact CD2-OD2 3.28Å
303L95.5Very high93.3Very high1 Ų154.4 Ų54.41%0.00527%0.266CS..G310 helixtrans-62-22.1175.3-65.2-178.6000113.9I148 F184 L185 W281 L285 V300 E301I148-L303 HydrophobicContact CD1-CD1 4.22Å; I148-L303 HydrophobicContact CD1-CD2 3.51Å; I148-L303 HydrophobicContact CD1-CG 4.42Å; F184-L303 HydrophobicContact CE2-CD1 4.36Å; F184-L303 HydrophobicContact CZ-CD1 3.95Å; L185-L303 HydrophobicContact CD2-CD1 4.39Å; W281-L303 HydrophobicContact CH2-CD1 4.16Å; W281-L303 HydrophobicContact CH2-CD2 3.74Å; W281-L303 HydrophobicContact CH2-CG 4.46Å; W281-L303 HydrophobicContact CZ2-CD2 4.12Å; L285-L303 HydrophobicContact CD1-CB 3.8Å; V300-L303 HydrophobicContact CB-CD1 3.9Å; V300-L303 HydrophobicContact CB-CG 4.2Å; V300-L303 HydrophobicContact CG2-CD1 4.11Å; V300-L303 WeakPolarHBondContact O-CB 3.19Å; V300-L303 WeakPolarHBondContact O-CG 3.3Å; V300-L303 PolarHBondContact O-N 3.45Å; E301-L303 PolarHBondContact O-N 3.36Å; E301-L303 VanDerWaalsContact O-N 3.08Å
304L95.3Very high93.2Very high27 Ų2749.9 Ų49.914%0.14125%0.248CC..G310 helixtrans-87.3-12.2176.9-62.5-174000113.5L285 R287 K292 Y295 E301 F302 P306L285-L304 HydrophobicContact CB-CD2 4.12Å; L285-L304 HydrophobicContact CD1-CD2 4.28Å; R287-L304 HydrophobicContact CG-CD2 4.33Å; R287-L304 PolarHBondContact NH1-O 3.42Å; R287-L304 PolarHBondContact NH2-O 3.46Å; K292-L304 HydrophobicContact CG-CD1 4.29Å; Y295-L304 HydrophobicContact CD2-CD1 3.62Å; Y295-L304 HydrophobicContact CD2-CD2 4.1Å; Y295-L304 HydrophobicContact CD2-CG 3.91Å; Y295-L304 HydrophobicContact CE2-CD1 3.94Å; Y295-L304 HydrophobicContact CE2-CD2 3.75Å; Y295-L304 HydrophobicContact CE2-CG 4.09Å; E301-L304 WeakPolarHBondContact O-CB 3.29Å; E301-L304 PolarHBondContact O-N 3.16Å; F302-L304 PolarHBondContact O-N 2.92Å; F302-L304 VanDerWaalsContact O-N 3.17Å; L304-P306 WeakPolarHBondContact O-CD 3.38Å
305D94Very high93.1Very high50 Ų5055.4 Ų55.427%0.26727%0.273SS..  trans-86.9112.3176.9-170.4-5.8000109.3K46 F302 E307 D308K46-D305 IonicContact NZ-OD1 3.84Å; K46-D305 IonicContact NZ-OD2 3.42Å; K46-D305 PolarHBondContact NZ-OD2 2.83Å; F302-D305 PolarHBondContact O-N 3.1Å; D305-E307 PolarHBondContact O-N 2.93Å; D305-E307 WeakPolarHBondContact OD1-CB 3.48Å; D305-E307 PolarHBondContact OD1-N 3.05Å; D305-D308 HydrophobicContact CB-CB 4.24Å; D305-D308 PolarHBondContact O-N 3.3Å
306P87.8Confident93Very high77 Ų7757.5 Ų57.550%0.529%0.285SS..G310 helixtrans-63.2-24.1176.626.9-34.6000112.7L304 D308 S309L304-P306 WeakPolarHBondContact O-CD 3.38Å; P306-D308 VanDerWaalsContact C-N 3.29Å; P306-D308 PolarHBondContact O-N 3.44Å; P306-S309 PolarHBondContact O-OG 3.06Å; P306-S309 VanDerWaalsContact O-OG 3.09Å
307E90.9Very high93Very high86 Ų8650.8 Ų50.840%0.40226%0.255SS..G310 helixtrans-80.1-8.5-179-56.6-174.9-179.600113.4K46 D305 H312K46-E307 HydrophobicContact CD-CB 4.07Å; K46-E307 VanDerWaalsContact CE-OE2 3.27Å; K46-E307 WeakPolarHBondContact CE-OE2 3.5Å; K46-E307 IonicContact NZ-OE2 3.64Å; K46-E307 PolarHBondContact NZ-OE2 3Å; D305-E307 PolarHBondContact O-N 2.93Å; D305-E307 WeakPolarHBondContact OD1-CB 3.48Å; D305-E307 PolarHBondContact OD1-N 3.05Å; E307-H312 VanDerWaalsContact CA-CD2 3.47Å; E307-H312 WeakPolarHBondContact CA-CD2 3.41Å; E307-H312 PolarHBondContact O-CD2 3.44Å
308D93.4Very high92.9Very high8 Ų849.9 Ų49.94%0.04325%0.249CC..G310 helixtrans-77.8-21176.3170.383.1000113.1R87 R282 F302 D305 P306R87-D308 WeakPolarHBondContact CB-OD1 3.41Å; R87-D308 IonicContact CZ-OD1 2.86Å; R87-D308 IonicContact NH1-OD1 3.11Å; R87-D308 PolarHBondContact NH1-OD1 3.37Å; R87-D308 IonicContact NH1-OD2 3.86Å; R87-D308 PolarHBondContact NH1-OD2 3.28Å; R282-D308 IonicContact CZ-OD2 3.51Å; R282-D308 VanDerWaalsContact CZ-OD2 3.31Å; R282-D308 IonicContact NH1-OD2 2.67Å; R282-D308 PolarHBondContact NH1-OD2 2.82Å; R282-D308 IonicContact NH2-OD2 2.87Å; R282-D308 PolarHBondContact NH2-OD2 3.18Å; F302-D308 WeakPolarHBondContact CD2-OD2 3.28Å; D305-D308 HydrophobicContact CB-CB 4.24Å; D305-D308 PolarHBondContact O-N 3.3Å; P306-D308 VanDerWaalsContact C-N 3.29Å; P306-D308 PolarHBondContact O-N 3.44Å
309S90.5Very high92.8Very high18 Ų1853.4 Ų53.413%0.12627%0.265CS..SBendtrans-61.7145.4-17865.10000112.4E172 P306 S311 H312 Y313E172-S309 VanDerWaalsContact OE1-CB 3.27Å; E172-S309 WeakPolarHBondContact OE1-CB 3.01Å; P306-S309 PolarHBondContact O-OG 3.06Å; P306-S309 VanDerWaalsContact O-OG 3.09Å; S309-S311 VanDerWaalsContact C-N 3.25Å; S309-S311 PolarHBondContact O-N 3.41Å; S309-H312 PolarHBondContact O-N 2.63Å; S309-H312 WeakPolarHBondContact OG-CB 3.25Å; S309-H312 PolarHBondContact OG-N 3.5Å; S309-Y313 PolarHBondContact O-N 3.03Å; S309-Y313 VanDerWaalsContact O-N 3.07Å
310V89.9Confident92.7Very high28 Ų2848.9 Ų48.917%0.1724%0.244CC..Hα-helixtrans-60.7-39.3174176.30000110Y84 H312 Y313 M314Y84-V310 HydrophobicContact CE1-CG1 4.1Å; V310-H312 PolarHBondContact O-N 2.69Å; V310-Y313 WeakPolarHBondContact O-CB 3.45Å; V310-Y313 PolarHBondContact O-N 3.16Å; V310-Y313 VanDerWaalsContact O-N 3.13Å; V310-M314 HydrophobicContact CG1-CG 4.01Å; V310-M314 VanDerWaalsContact O-CG 3.26Å; V310-M314 WeakPolarHBondContact O-CG 3.3Å; V310-M314 PolarHBondContact O-N 2.97Å
311S89.2Confident92.4Very high53 Ų5349 Ų4937%0.37124%0.244SC..Hα-helixtrans-60.1-43.7177.6-47.50000112.8S309 Y313 M314 Q315S309-S311 VanDerWaalsContact C-N 3.25Å; S309-S311 PolarHBondContact O-N 3.41Å; S311-Y313 VanDerWaalsContact C-N 3.34Å; S311-M314 PolarHBondContact O-N 3.27Å; S311-Q315 WeakPolarHBondContact O-CB 3.42Å; S311-Q315 PolarHBondContact O-N 2.93Å
312H91.1Very high92.2Very high57 Ų5751.1 Ų51.126%0.26425%0.252SS..Hα-helixtrans-62.3-44.5173.9177.786.3000111.3E307 S309 V310 M314 Q315 L316E307-H312 VanDerWaalsContact CA-CD2 3.47Å; E307-H312 WeakPolarHBondContact CA-CD2 3.41Å; E307-H312 PolarHBondContact O-CD2 3.44Å; S309-H312 PolarHBondContact O-N 2.63Å; S309-H312 WeakPolarHBondContact OG-CB 3.25Å; S309-H312 PolarHBondContact OG-N 3.5Å; V310-H312 PolarHBondContact O-N 2.69Å; H312-M314 PolarHBondContact O-N 2.63Å; H312-Q315 PolarHBondContact O-N 2.97Å; H312-L316 PolarHBondContact O-N 3.12Å
313Y93.7Very high91.9Very high5 Ų552.2 Ų52.22%0.0227%0.265CS..Hα-helixtrans-59-45.8177.8179.4-95.9000112.6I27 G30 G31 R47 Q48 A49 T85 S309 V310 S311 Q315 L316 G317I27-Y313 WeakPolarHBondContact O-CE1 3.24Å; I27-Y313 VanDerWaalsContact O-CZ 3.31Å; I27-Y313 PolarHBondContact O-OH 3.48Å; G30-Y313 VanDerWaalsContact C-CZ 3.49Å; G30-Y313 VanDerWaalsContact CA-CZ 3.47Å; G30-Y313 WeakPolarHBondContact O-CE2 3.16Å; G31-Y313 VanDerWaalsContact N-CE2 3.3Å; G31-Y313 PolarHBondContact N-OH 2.91Å; R47-Y313 HydrophobicContact CB-CD2 3.66Å; R47-Y313 HydrophobicContact CB-CE2 4.01Å; R47-Y313 HydrophobicContact CB-CG 4.38Å; R47-Y313 HydrophobicContact CG-CD2 3.91Å; R47-Y313 HydrophobicContact CG-CE2 4.2Å; R47-Y313 HydrophobicContact CG-CG 4.23Å; R47-Y313 WeakPolarHBondContact O-CE2 3.41Å; Q48-Y313 WeakPolarHBondContact CA-OH 3.41Å; A49-Y313 PolarHBondContact N-OH 2.97Å; T85-Y313 HydrophobicContact CG2-CD1 3.62Å; T85-Y313 HydrophobicContact CG2-CE1 3.16Å; S309-Y313 PolarHBondContact O-N 3.03Å; S309-Y313 VanDerWaalsContact O-N 3.07Å; V310-Y313 WeakPolarHBondContact O-CB 3.45Å; V310-Y313 PolarHBondContact O-N 3.16Å; V310-Y313 VanDerWaalsContact O-N 3.13Å; S311-Y313 VanDerWaalsContact C-N 3.34Å; Y313-Q315 PolarHBondContact O-N 3.13Å; Y313-L316 WeakPolarHBondContact O-CB 3.44Å; Y313-L316 PolarHBondContact O-N 3.43Å; Y313-G317 PolarHBondContact O-N 3.27Å
314M91.8Very high91.4Very high33 Ų3353.2 Ų53.216%0.16327%0.271CS..Hα-helixtrans-63.4-40.6177.2-68.9-62.1-76.700111.6W26 I27 V310 S311 H312 L316 G317 K318W26-M314 HydrophobicContact CB-CE 4.18Å; W26-M314 HydrophobicContact CE3-CE 4.25Å; I27-M314 HydrophobicContact CB-SD 4.43Å; I27-M314 HydrophobicContact CD1-CE 4.44Å; I27-M314 HydrophobicContact CG1-CE 3.77Å; I27-M314 HydrophobicContact CG1-SD 3.53Å; I27-M314 VanDerWaalsContact CG1-SD 3.53Å; V310-M314 HydrophobicContact CG1-CG 4.01Å; V310-M314 VanDerWaalsContact O-CG 3.26Å; V310-M314 WeakPolarHBondContact O-CG 3.3Å; V310-M314 PolarHBondContact O-N 2.97Å; S311-M314 PolarHBondContact O-N 3.27Å; H312-M314 PolarHBondContact O-N 2.63Å; M314-L316 VanDerWaalsContact C-N 3.34Å; M314-L316 PolarHBondContact O-N 3.23Å; M314-G317 PolarHBondContact O-N 2.89Å; M314-K318 WeakPolarHBondContact O-CB 3.3Å; M314-K318 PolarHBondContact O-N 2.81Å
315Q92.8Very high91Very high119 Ų11955 Ų5556%0.55628%0.281SS*.Hα-helixtrans-62.7-41.8175.2-174.5178.53.400111.8S311 H312 Y313 K318 Q319S311-Q315 WeakPolarHBondContact O-CB 3.42Å; S311-Q315 PolarHBondContact O-N 2.93Å; H312-Q315 PolarHBondContact O-N 2.97Å; Y313-Q315 PolarHBondContact O-N 3.13Å; Q315-K318 PolarHBondContact O-N 2.91Å; Q315-Q319 WeakPolarHBondContact O-CG 3.41Å; Q315-Q319 PolarHBondContact O-N 3.19Å; Q315-Q319 VanDerWaalsContact O-N 3.14Å
316L93.3Very high90.9Very high47 Ų4756.9 Ų56.925%0.24629%0.288CS..Hα-helixtrans-64.4-43.4174.9-178.259.7000111.2H312 Y313 M314 K318 Q319 R320H312-L316 PolarHBondContact O-N 3.12Å; Y313-L316 WeakPolarHBondContact O-CB 3.44Å; Y313-L316 PolarHBondContact O-N 3.43Å; M314-L316 VanDerWaalsContact C-N 3.34Å; M314-L316 PolarHBondContact O-N 3.23Å; L316-K318 PolarHBondContact O-N 2.99Å; L316-Q319 PolarHBondContact O-N 2.95Å; L316-R320 HydrophobicContact CD1-CG 4.33Å; L316-R320 WeakPolarHBondContact O-CB 3.44Å; L316-R320 WeakPolarHBondContact O-CG 3.28Å; L316-R320 PolarHBondContact O-N 3.4Å
317G93.4Very high90.9Very high0 Ų057.5 Ų57.50%028%0.284CS..Hα-helixtrans-57.1-45.3174.700000113.2W26 G30 Y313 M314 Q319 R320 T321W26-G317 VanDerWaalsContact O-CA 3.25Å; W26-G317 WeakPolarHBondContact O-CA 3.37Å; G30-G317 VanDerWaalsContact CA-CA 3.49Å; Y313-G317 PolarHBondContact O-N 3.27Å; M314-G317 PolarHBondContact O-N 2.89Å; G317-Q319 PolarHBondContact O-N 3.06Å; G317-R320 PolarHBondContact O-N 3.44Å; G317-T321 WeakPolarHBondContact O-CB 3.43Å; G317-T321 PolarHBondContact O-N 2.97Å; G317-T321 PolarHBondContact O-OG1 2.86Å
318K92.6Very high90.7Very high114 Ų11457.7 Ų57.750%0.49629%0.285SS..Hα-helixtrans-60-43.7174.5-175.7169.9-172.6158.40112.9W26 M314 Q315 L316 K322W26-K318 HydrophobicContact CD2-CB 3.93Å; W26-K318 HydrophobicContact CD2-CD 4.36Å; W26-K318 HydrophobicContact CD2-CG 4.2Å; W26-K318 HydrophobicContact CG-CB 3.96Å; W26-K318 HydrophobicContact CH2-CD 4.18Å; W26-K318 HydrophobicContact CZ2-CD 3.96Å; W26-K318 HydrophobicContact CZ2-CG 4.18Å; W26-K318 HydrophobicContact CZ3-CD 4.43Å; M314-K318 WeakPolarHBondContact O-CB 3.3Å; M314-K318 PolarHBondContact O-N 2.81Å; Q315-K318 PolarHBondContact O-N 2.91Å; L316-K318 PolarHBondContact O-N 2.99Å; K318-K322 PolarHBondContact O-N 2.81Å
319Q93Very high90.4Very high105 Ų10564.1 Ų64.149%0.49131%0.312SS..Hα-helixtrans-64.1-42.5176.9-70.9174.63.100111.7Q315 L316 G317 S323Q315-Q319 WeakPolarHBondContact O-CG 3.41Å; Q315-Q319 PolarHBondContact O-N 3.19Å; Q315-Q319 VanDerWaalsContact O-N 3.14Å; L316-Q319 PolarHBondContact O-N 2.95Å; G317-Q319 PolarHBondContact O-N 3.06Å; Q319-S323 PolarHBondContact O-N 3.09Å; Q319-S323 PolarHBondContact O-OG 3.02Å
320R91.7Very high90.4Very high65 Ų6568.5 Ų68.525%0.24533%0.326CS..Hα-helixtrans-71.7-43-178.8-71.9-176.3177.2169.46.4112.8M29 G30 G31 I32 L316 G317 K322 S323 I324M29-R320 HydrophobicContact CB-CB 4.23Å; M29-R320 VanDerWaalsContact O-CD 3.23Å; M29-R320 WeakPolarHBondContact O-CD 3.4Å; M29-R320 PolarHBondContact O-NH1 3.27Å; G30-R320 PolarHBondContact O-NH1 3.19Å; G31-R320 VanDerWaalsContact C-NH1 3.33Å; I32-R320 WeakPolarHBondContact O-CD 3.27Å; I32-R320 PolarHBondContact O-NH1 2.84Å; L316-R320 HydrophobicContact CD1-CG 4.33Å; L316-R320 WeakPolarHBondContact O-CB 3.44Å; L316-R320 WeakPolarHBondContact O-CG 3.28Å; L316-R320 PolarHBondContact O-N 3.4Å; G317-R320 PolarHBondContact O-N 3.44Å; R320-K322 VanDerWaalsContact C-N 3.28Å; R320-K322 PolarHBondContact O-N 3.42Å; R320-S323 PolarHBondContact O-N 3.1Å; R320-I324 WeakPolarHBondContact O-CB 3.43Å; R320-I324 WeakPolarHBondContact O-CG1 3.32Å; R320-I324 PolarHBondContact O-N 3.44Å
321T89.8Confident90.4Very high4 Ų470.5 Ų70.53%0.02534%0.339CS..Hα-helixtrans-53-48.8172.3-57.90000110.6D25 M29 G317 S323 I324 N325D25-T321 HydrophobicContact CB-CG2 3.85Å; D25-T321 PolarHBondContact O-OG1 3.26Å; M29-T321 WeakPolarHBondContact CG-OG1 3.28Å; G317-T321 WeakPolarHBondContact O-CB 3.43Å; G317-T321 PolarHBondContact O-N 2.97Å; G317-T321 PolarHBondContact O-OG1 2.86Å; T321-S323 VanDerWaalsContact C-N 3.34Å; T321-S323 PolarHBondContact O-N 3.13Å; T321-I324 PolarHBondContact O-N 3.47Å; T321-N325 WeakPolarHBondContact O-CB 3.24Å; T321-N325 PolarHBondContact O-N 3.15Å; T321-N325 PolarHBondContact O-ND2 3.21Å
322K90Very high90.2Very high131 Ų13172.4 Ų72.457%0.5734%0.344SS*.Hα-helixtrans-59-45.3175.5-175.9178.2175.1-177.90112.3K318 R320 E326K318-K322 PolarHBondContact O-N 2.81Å; R320-K322 VanDerWaalsContact C-N 3.28Å; R320-K322 PolarHBondContact O-N 3.42Å; K322-E326 WeakPolarHBondContact CE-OE1 3.43Å; K322-E326 WeakPolarHBondContact O-CB 3.28Å; K322-E326 VanDerWaalsContact O-CG 3.27Å; K322-E326 WeakPolarHBondContact O-CG 3.25Å; K322-E326 PolarHBondContact O-N 3.46Å
323S90.1Very high90Very high68 Ų6873.9 Ų73.948%0.47635%0.354SS..Hα-helixtrans-66.5-41.6-177.3-56.30000112.3Q319 R320 T321 E326 E327Q319-S323 PolarHBondContact O-N 3.09Å; Q319-S323 PolarHBondContact O-OG 3.02Å; R320-S323 PolarHBondContact O-N 3.1Å; T321-S323 VanDerWaalsContact C-N 3.34Å; T321-S323 PolarHBondContact O-N 3.13Å; S323-E326 PolarHBondContact O-N 2.66Å; S323-E327 PolarHBondContact O-N 2.75Å
324I85.9Confident89.8Confident22 Ų2279.3 Ų79.311%0.11338%0.379CS..Hα-helixtrans-65.8-49.2176.8-68.8168000110M29 R320 T321 E326 E327 E328M29-I324 HydrophobicContact CG-CD1 4.29Å; M29-I324 HydrophobicContact SD-CD1 3.77Å; R320-I324 WeakPolarHBondContact O-CB 3.43Å; R320-I324 WeakPolarHBondContact O-CG1 3.32Å; R320-I324 PolarHBondContact O-N 3.44Å; T321-I324 PolarHBondContact O-N 3.47Å; I324-E326 VanDerWaalsContact C-N 3.27Å; I324-E326 PolarHBondContact O-N 2.67Å; I324-E327 PolarHBondContact O-N 3.42Å; I324-E328 HydrophobicContact CG2-CG 4.26Å; I324-E328 WeakPolarHBondContact O-CG 3.32Å; I324-E328 PolarHBondContact O-N 3.07Å
325N86.9Confident89.5Confident66 Ų6680 Ų8035%0.35339%0.391SS..Hα-helixtrans-61.4-36.5178.9-69.1-8.4000112T321 K329T321-N325 WeakPolarHBondContact O-CB 3.24Å; T321-N325 PolarHBondContact O-N 3.15Å; T321-N325 PolarHBondContact O-ND2 3.21Å; N325-K329 VanDerWaalsContact O-CB 3.27Å; N325-K329 WeakPolarHBondContact O-CB 3.48Å; N325-K329 PolarHBondContact O-N 2.84Å; N325-K329 VanDerWaalsContact O-N 3.1Å
326E90.6Very high89.2Confident89 Ų8976.1 Ų76.142%0.41637%0.374SS..Hα-helixtrans-67.6-38.2173.8-76.2178.4-175.300112.6K322 S323 I324 R330K322-E326 WeakPolarHBondContact CE-OE1 3.43Å; K322-E326 WeakPolarHBondContact O-CB 3.28Å; K322-E326 VanDerWaalsContact O-CG 3.27Å; K322-E326 WeakPolarHBondContact O-CG 3.25Å; K322-E326 PolarHBondContact O-N 3.46Å; S323-E326 PolarHBondContact O-N 2.66Å; I324-E326 VanDerWaalsContact C-N 3.27Å; I324-E326 PolarHBondContact O-N 2.67Å; E326-R330 WeakPolarHBondContact O-CG 3.22Å; E326-R330 PolarHBondContact O-N 3.34Å
327E88.6Confident88.8Confident90 Ų9078 Ų7842%0.42140%0.395SS..Hα-helixtrans-68.1-50.1175.3-176.860.5-165.600111.6S323 I324 K329 R330 T331S323-E327 PolarHBondContact O-N 2.75Å; I324-E327 PolarHBondContact O-N 3.42Å; E327-K329 PolarHBondContact O-N 3.42Å; E327-R330 CarbonylContact O-C 3.58Å; E327-R330 WeakPolarHBondContact O-CA 3.49Å; E327-R330 WeakPolarHBondContact O-CB 3.31Å; E327-R330 PolarHBondContact O-N 3.27Å; E327-R330 IonicContact OE2-CZ 3.78Å; E327-R330 IonicContact OE2-NE 2.87Å; E327-R330 PolarHBondContact OE2-NE 2.87Å; E327-R330 IonicContact OE2-NH2 3.71Å; E327-R330 PolarHBondContact OE2-NH2 3.2Å; E327-T331 PolarHBondContact O-N 3.23Å; E327-T331 PolarHBondContact O-OG1 3.35Å; E327-T331 VanDerWaalsContact O-OG1 3.07Å
328E85.8Confident88.6Confident90 Ų9086 Ų8642%0.42143%0.433SS..Hα-helixtrans-55.1-40.6176.5-72.1178.7166.100111.2R35 I324 L332R35-E328 IonicContact CZ-OE1 3.11Å; R35-E328 IonicContact NH1-OE1 2.61Å; R35-E328 PolarHBondContact NH1-OE1 3.17Å; R35-E328 IonicContact NH1-OE2 2.78Å; R35-E328 PolarHBondContact NH1-OE2 3.21Å; I324-E328 HydrophobicContact CG2-CG 4.26Å; I324-E328 WeakPolarHBondContact O-CG 3.32Å; I324-E328 PolarHBondContact O-N 3.07Å; E328-L332 VanDerWaalsContact O-CB 3.3Å; E328-L332 WeakPolarHBondContact O-CB 3.45Å; E328-L332 PolarHBondContact O-N 3.41Å
329K88Confident88.4Confident142 Ų14284 Ų8462%0.61743%0.427SS*.Hα-helixtrans-65.4-39.3174.2-174.8177.8-179.6178.90112.6N325 E327 N333N325-K329 VanDerWaalsContact O-CB 3.27Å; N325-K329 WeakPolarHBondContact O-CB 3.48Å; N325-K329 PolarHBondContact O-N 2.84Å; N325-K329 VanDerWaalsContact O-N 3.1Å; E327-K329 PolarHBondContact O-N 3.42Å; K329-N333 VanDerWaalsContact O-CG 3.22Å; K329-N333 PolarHBondContact O-N 2.91Å; K329-N333 VanDerWaalsContact O-N 3.1Å; K329-N333 PolarHBondContact O-ND2 2.79Å
330R90.2Very high88.3Confident110 Ų11083 Ų8342%0.41543%0.43SS..Hα-helixtrans-64.1-51.8174.5-77.7-173.7-67-91.15.1110.7E326 E327 L332 N333 E334E326-R330 WeakPolarHBondContact O-CG 3.22Å; E326-R330 PolarHBondContact O-N 3.34Å; E327-R330 CarbonylContact O-C 3.58Å; E327-R330 WeakPolarHBondContact O-CA 3.49Å; E327-R330 WeakPolarHBondContact O-CB 3.31Å; E327-R330 PolarHBondContact O-N 3.27Å; E327-R330 IonicContact OE2-CZ 3.78Å; E327-R330 IonicContact OE2-NE 2.87Å; E327-R330 PolarHBondContact OE2-NE 2.87Å; E327-R330 IonicContact OE2-NH2 3.71Å; E327-R330 PolarHBondContact OE2-NH2 3.2Å; R330-L332 VanDerWaalsContact C-N 3.29Å; R330-L332 PolarHBondContact O-N 3.03Å; R330-N333 WeakPolarHBondContact O-CB 3.36Å; R330-N333 PolarHBondContact O-N 3.36Å; R330-E334 WeakPolarHBondContact O-CG 3.32Å; R330-E334 PolarHBondContact O-N 2.93Å
331T89.1Confident88Confident71 Ų7187 Ų8744%0.43645%0.451SS..Hα-helixtrans-57.3-42.3178.6-48.50000111.6E327 N333 E334 A335E327-T331 PolarHBondContact O-N 3.23Å; E327-T331 PolarHBondContact O-OG1 3.35Å; E327-T331 VanDerWaalsContact O-OG1 3.07Å; T331-N333 PolarHBondContact O-N 2.59Å; T331-E334 PolarHBondContact O-N 2.97Å; T331-A335 WeakPolarHBondContact O-CB 3.44Å; T331-A335 PolarHBondContact O-N 3.45Å
332L84.9Confident87.9Confident93 Ų9391 Ų9149%0.48748%0.477SS..Hα-helixtrans-61.9-43.6174.9179.461.9000112E328 R330 A335 L336E328-L332 VanDerWaalsContact O-CB 3.3Å; E328-L332 WeakPolarHBondContact O-CB 3.45Å; E328-L332 PolarHBondContact O-N 3.41Å; R330-L332 VanDerWaalsContact C-N 3.29Å; R330-L332 PolarHBondContact O-N 3.03Å; L332-A335 PolarHBondContact O-N 3.46Å; L332-L336 HydrophobicContact CD1-CD1 4.46Å; L332-L336 HydrophobicContact CD1-CG 4.42Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 WeakPolarHBondContact O-CB 3.3Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.45Å; L332-L336 PolarHBondContact O-N 2.99Å
333N86.9Confident87.9Confident88 Ų8888.2 Ų88.247%0.47147%0.471SS..Hα-helixtrans-66.6-38.1178.5-72.7-40.1000112.4K329 R330 T331 L336 A337K329-N333 VanDerWaalsContact O-CG 3.22Å; K329-N333 PolarHBondContact O-N 2.91Å; K329-N333 VanDerWaalsContact O-N 3.1Å; K329-N333 PolarHBondContact O-ND2 2.79Å; R330-N333 WeakPolarHBondContact O-CB 3.36Å; R330-N333 PolarHBondContact O-N 3.36Å; T331-N333 PolarHBondContact O-N 2.59Å; N333-L336 PolarHBondContact O-N 2.73Å; N333-A337 WeakPolarHBondContact O-CB 3.41Å; N333-A337 PolarHBondContact O-N 3.36Å
334E89.9Confident87.6Confident118 Ų11886 Ų8655%0.55146%0.457SS*.Hα-helixtrans-64.3-47.5175-71.6171.8-17900110.8R330 T331 L336 A337 E338R330-E334 WeakPolarHBondContact O-CG 3.32Å; R330-E334 PolarHBondContact O-N 2.93Å; T331-E334 PolarHBondContact O-N 2.97Å; E334-L336 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 3.15Å; E334-A337 WeakPolarHBondContact O-CA 3.33Å; E334-A337 WeakPolarHBondContact O-CB 3.48Å; E334-A337 PolarHBondContact O-N 3.47Å; E334-E338 PolarHBondContact O-N 2.96Å
335A86.9Confident87.6Confident49 Ų4987.9 Ų87.941%0.40547%0.469SS..Hα-helixtrans-59.3-39.617500000112.3T331 L332 A337 E338 L339T331-A335 WeakPolarHBondContact O-CB 3.44Å; T331-A335 PolarHBondContact O-N 3.45Å; L332-A335 PolarHBondContact O-N 3.46Å; A335-A337 VanDerWaalsContact C-N 3.32Å; A335-A337 PolarHBondContact O-N 2.86Å; A335-E338 PolarHBondContact O-N 3.1Å; A335-L339 PolarHBondContact O-N 3.5Å
336L84.7Confident87.5Confident37 Ų3790.2 Ų90.219%0.19448%0.482CS..Hα-helixtrans-67.2-31.9174.3-71.9174.3000112.7L332 N333 E334 E338 L339 F347L332-L336 HydrophobicContact CD1-CD1 4.46Å; L332-L336 HydrophobicContact CD1-CG 4.42Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 WeakPolarHBondContact O-CB 3.3Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.45Å; L332-L336 PolarHBondContact O-N 2.99Å; N333-L336 PolarHBondContact O-N 2.73Å; E334-L336 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 3.15Å; L336-E338 VanDerWaalsContact C-N 3.33Å; L336-L339 HydrophobicContact CD2-CD1 3.87Å; L336-L339 WeakPolarHBondContact O-CB 3.45Å; L336-L339 PolarHBondContact O-N 2.9Å; L336-F347 HydrophobicContact CD1-CD1 4.01Å; L336-F347 HydrophobicContact CD1-CE1 3.87Å; L336-F347 HydrophobicContact CD2-CB 4.43Å; L336-F347 HydrophobicContact CD2-CD1 3.5Å; L336-F347 VanDerWaalsContact CD2-CD1 3.5Å; L336-F347 HydrophobicContact CD2-CE1 3.83Å; L336-F347 HydrophobicContact CD2-CG 3.92Å; L336-F347 HydrophobicContact CG-CD1 4.43Å; L336-F347 HydrophobicContact CG-CE1 4.47Å
337A86.1Confident87.3Confident85 Ų8590.8 Ų90.870%0.70248%0.483SS*.Hα-helixtrans-73.4-25.4176.600000112.8N333 E334 A335 L339N333-A337 WeakPolarHBondContact O-CB 3.41Å; N333-A337 PolarHBondContact O-N 3.36Å; E334-A337 WeakPolarHBondContact O-CA 3.33Å; E334-A337 WeakPolarHBondContact O-CB 3.48Å; E334-A337 PolarHBondContact O-N 3.47Å; A335-A337 VanDerWaalsContact C-N 3.32Å; A335-A337 PolarHBondContact O-N 2.86Å; A337-L339 VanDerWaalsContact C-N 3.32Å
338E89.2Confident87Confident170 Ų17088.9 Ų88.979%0.79448%0.483SS*.Hα-helixtrans-74.3-21.9172.4-68.7-176.117300113E334 A335 L336E334-E338 PolarHBondContact O-N 2.96Å; A335-E338 PolarHBondContact O-N 3.1Å; L336-E338 VanDerWaalsContact C-N 3.33Å
339L87.3Confident87.1Confident70 Ų7087.4 Ų87.437%0.36648%0.48SS..SBendtrans-68.7147.1176.5-64177.2000111.2A335 L336 A337 H341 V343 A344A335-L339 PolarHBondContact O-N 3.5Å; L336-L339 HydrophobicContact CD2-CD1 3.87Å; L336-L339 WeakPolarHBondContact O-CB 3.45Å; L336-L339 PolarHBondContact O-N 2.9Å; A337-L339 VanDerWaalsContact C-N 3.32Å; L339-H341 PolarHBondContact O-N 3.03Å; L339-V343 HydrophobicContact CB-CB 4.44Å; L339-V343 HydrophobicContact CD1-CG1 4.14Å; L339-A344 HydrophobicContact CB-CB 4.36Å
340P91.1Very high87Confident86 Ų8682.3 Ų82.356%0.55847%0.468SS*.  trans-53.2131.3168.2-23.633000110P342 V343 A344P340-P342 VanDerWaalsContact C-N 3.29Å; P340-P342 WeakPolarHBondContact O-CD 3.48Å; P340-V343 HydrophobicContact CB-CG2 4.28Å; P340-V343 HydrophobicContact CG-CG2 4.46Å; P340-V343 WeakPolarHBondContact O-CA 3.42Å; P340-V343 WeakPolarHBondContact O-CB 3.32Å; P340-V343 PolarHBondContact O-N 2.84Å; P340-A344 PolarHBondContact O-N 2.88Å
341H85.8Confident86.8Confident149 Ų14983.2 Ų83.269%0.6948%0.475SS*.Hα-helixtrans-45.7-41.9-173.8-175.2-79.8000114.9L339 V343 A344 V345L339-H341 PolarHBondContact O-N 3.03Å; H341-V343 VanDerWaalsContact C-N 3.28Å; H341-V343 PolarHBondContact O-N 2.91Å; H341-A344 PolarHBondContact O-N 3.33Å; H341-V345 WeakPolarHBondContact CE1-CG2 3.49Å; H341-V345 WeakPolarHBondContact O-CG2 3.34Å; H341-V345 PolarHBondContact O-N 3.21Å
342P89.2Confident86.8Confident88 Ų8883.2 Ų83.257%0.57148%0.475SS*.Hα-helixtrans-60-35.5176.1-23.535.1000114P340 N346P340-P342 VanDerWaalsContact C-N 3.29Å; P340-P342 WeakPolarHBondContact O-CD 3.48Å; P342-N346 WeakPolarHBondContact O-CB 3.49Å; P342-N346 PolarHBondContact O-N 2.86Å; P342-N346 PolarHBondContact O-ND2 2.9Å
343V88.2Confident87Confident72 Ų7286.5 Ų86.544%0.43648%0.481SS..Hα-helixtrans-71.6-45.6178.1-176.80000110.3L339 P340 H341 V345 N346 F347L339-V343 HydrophobicContact CB-CB 4.44Å; L339-V343 HydrophobicContact CD1-CG1 4.14Å; P340-V343 HydrophobicContact CB-CG2 4.28Å; P340-V343 HydrophobicContact CG-CG2 4.46Å; P340-V343 WeakPolarHBondContact O-CA 3.42Å; P340-V343 WeakPolarHBondContact O-CB 3.32Å; P340-V343 PolarHBondContact O-N 2.84Å; H341-V343 VanDerWaalsContact C-N 3.28Å; H341-V343 PolarHBondContact O-N 2.91Å; V343-V345 VanDerWaalsContact C-N 3.34Å; V343-V345 PolarHBondContact O-N 2.9Å; V343-N346 PolarHBondContact O-N 3.07Å; V343-F347 PolarHBondContact O-N 3.13Å
344A84.7Confident87.2Confident22 Ų2284.9 Ų84.918%0.18247%0.472CS..Hα-helixtrans-59.4-43.6176.600000111.9L339 P340 H341 F347 A348L339-A344 HydrophobicContact CB-CB 4.36Å; P340-A344 PolarHBondContact O-N 2.88Å; H341-A344 PolarHBondContact O-N 3.33Å; A344-F347 PolarHBondContact O-N 3.11Å; A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 2.84Å
345V84.7Confident87.2Confident61 Ų6184.6 Ų84.637%0.3747%0.469SS..Hα-helixtrans-63.4-43175.3171.80000111.6H341 V343 F347 A348 T349H341-V345 WeakPolarHBondContact CE1-CG2 3.49Å; H341-V345 WeakPolarHBondContact O-CG2 3.34Å; H341-V345 PolarHBondContact O-N 3.21Å; V343-V345 VanDerWaalsContact C-N 3.34Å; V343-V345 PolarHBondContact O-N 2.9Å; V345-F347 VanDerWaalsContact C-N 3.34Å; V345-F347 PolarHBondContact O-N 3.14Å; V345-A348 PolarHBondContact O-N 2.91Å; V345-T349 VanDerWaalsContact O-CB 3.32Å; V345-T349 WeakPolarHBondContact O-CB 3.45Å; V345-T349 PolarHBondContact O-N 3.19Å; V345-T349 PolarHBondContact O-OG1 3.4Å
346N86.2Confident87.4Confident115 Ų11587.8 Ų87.862%0.61548%0.476SS*.Hα-helixtrans-62.4-42.6177.4-75.9-16.4000111.6P342 V343 T349 G350P342-N346 WeakPolarHBondContact O-CB 3.49Å; P342-N346 PolarHBondContact O-N 2.86Å; P342-N346 PolarHBondContact O-ND2 2.9Å; V343-N346 PolarHBondContact O-N 3.07Å; N346-T349 PolarHBondContact O-N 2.87Å; N346-G350 PolarHBondContact O-N 3Å
347F85.4Confident87.7Confident100 Ų10087.1 Ų87.144%0.43948%0.475SS..Hα-helixtrans-60-52.4174.4178.2-91.4000111.3L336 V343 A344 V345 T349 G350 F351L336-F347 HydrophobicContact CD1-CD1 4.01Å; L336-F347 HydrophobicContact CD1-CE1 3.87Å; L336-F347 HydrophobicContact CD2-CB 4.43Å; L336-F347 HydrophobicContact CD2-CD1 3.5Å; L336-F347 VanDerWaalsContact CD2-CD1 3.5Å; L336-F347 HydrophobicContact CD2-CE1 3.83Å; L336-F347 HydrophobicContact CD2-CG 3.92Å; L336-F347 HydrophobicContact CG-CD1 4.43Å; L336-F347 HydrophobicContact CG-CE1 4.47Å; V343-F347 PolarHBondContact O-N 3.13Å; A344-F347 PolarHBondContact O-N 3.11Å; V345-F347 VanDerWaalsContact C-N 3.34Å; V345-F347 PolarHBondContact O-N 3.14Å; F347-T349 VanDerWaalsContact C-N 3.31Å; F347-T349 PolarHBondContact O-N 2.93Å; F347-G350 PolarHBondContact O-N 3.3Å; F347-G350 VanDerWaalsContact O-N 3.15Å; F347-F351 PolarHBondContact O-N 2.84Å
348A82.9Confident88Confident51 Ų5186 Ų8642%0.42146%0.457SS..Hα-helixtrans-59.1-42.5179.400000112A344 V345 F351 V352A344-A348 WeakPolarHBondContact O-CB 3.33Å; A344-A348 PolarHBondContact O-N 2.84Å; V345-A348 PolarHBondContact O-N 2.91Å; A348-F351 PolarHBondContact O-N 3.11Å; A348-V352 WeakPolarHBondContact O-CG2 3.42Å; A348-V352 PolarHBondContact O-N 3.22Å
349T87Confident88Confident58 Ų5882.8 Ų82.836%0.35644%0.442SS..Hα-helixtrans-64.2-42.3176.8-54.70000111.4V345 N346 F347 V352 R353V345-T349 VanDerWaalsContact O-CB 3.32Å; V345-T349 WeakPolarHBondContact O-CB 3.45Å; V345-T349 PolarHBondContact O-N 3.19Å; V345-T349 PolarHBondContact O-OG1 3.4Å; N346-T349 PolarHBondContact O-N 2.87Å; F347-T349 VanDerWaalsContact C-N 3.31Å; F347-T349 PolarHBondContact O-N 2.93Å; T349-V352 PolarHBondContact O-N 3.3Å; T349-R353 VanDerWaalsContact O-CG 3.31Å; T349-R353 WeakPolarHBondContact O-CG 3.45Å; T349-R353 PolarHBondContact O-N 3.36Å
350G87.8Confident88.1Confident36 Ų3684.3 Ų84.337%0.37145%0.447SS..Hα-helixtrans-61.9-42.717600000112.4N346 F347 R353 L354N346-G350 PolarHBondContact O-N 3Å; F347-G350 PolarHBondContact O-N 3.3Å; F347-G350 VanDerWaalsContact O-N 3.15Å; G350-R353 PolarHBondContact O-N 2.8Å; G350-L354 PolarHBondContact O-N 3.32Å
351F85.8Confident88.2Confident128 Ų12881.9 Ų81.956%0.56143%0.428SS*.Hα-helixtrans-64.6-45.3176.9-174.4-94.9000112.4F347 A348 R353 L354 K355F347-F351 PolarHBondContact O-N 2.84Å; A348-F351 PolarHBondContact O-N 3.11Å; F351-R353 VanDerWaalsContact C-N 3.34Å; F351-R353 PolarHBondContact O-N 3.11Å; F351-L354 PolarHBondContact O-N 3.46Å; F351-K355 WeakPolarHBondContact O-CB 3.41Å; F351-K355 PolarHBondContact O-N 3.03Å
352V87.6Confident88.3Confident72 Ų7278.2 Ų78.244%0.43641%0.413SS..Hα-helixtrans-58.9-45.9175.6170.60000110.8A348 T349 L354 K355 E356A348-V352 WeakPolarHBondContact O-CG2 3.42Å; A348-V352 PolarHBondContact O-N 3.22Å; T349-V352 PolarHBondContact O-N 3.3Å; V352-L354 VanDerWaalsContact C-N 3.34Å; V352-L354 PolarHBondContact O-N 3.13Å; V352-K355 PolarHBondContact O-N 3.05Å; V352-E356 HydrophobicContact CG1-CG 4.36Å; V352-E356 WeakPolarHBondContact O-CG 3.48Å; V352-E356 PolarHBondContact O-N 3.44Å
353R89.8Confident88.2Confident162 Ų16276.6 Ų76.661%0.61140%0.402SS*.Hα-helixtrans-60.4-41.6176.6-73.7174.9179.4-175.30.8112.6T349 G350 F351 A357T349-R353 VanDerWaalsContact O-CG 3.31Å; T349-R353 WeakPolarHBondContact O-CG 3.45Å; T349-R353 PolarHBondContact O-N 3.36Å; G350-R353 PolarHBondContact O-N 2.8Å; F351-R353 VanDerWaalsContact C-N 3.34Å; F351-R353 PolarHBondContact O-N 3.11Å; R353-A357 VanDerWaalsContact O-CB 3.28Å; R353-A357 WeakPolarHBondContact O-CB 3.46Å; R353-A357 PolarHBondContact O-N 3.09Å
354L91.3Very high88.3Confident53 Ų5378.6 Ų78.628%0.27740%0.404SS..Hα-helixtrans-63-45.9176.617661.4000111G350 F351 V352 A357 L358 F381 F384G350-L354 PolarHBondContact O-N 3.32Å; F351-L354 PolarHBondContact O-N 3.46Å; V352-L354 VanDerWaalsContact C-N 3.34Å; V352-L354 PolarHBondContact O-N 3.13Å; L354-A357 PolarHBondContact O-N 2.92Å; L354-L358 VanDerWaalsContact O-CB 3.31Å; L354-L358 WeakPolarHBondContact O-CB 3.3Å; L354-L358 PolarHBondContact O-N 3.14Å; L354-F381 HydrophobicContact CD1-CE1 4.04Å; L354-F384 VanDerWaalsContact CA-CZ 3.42Å; L354-F384 HydrophobicContact CB-CE1 4.1Å; L354-F384 HydrophobicContact CB-CE2 4.44Å; L354-F384 HydrophobicContact CB-CZ 3.71Å; L354-F384 HydrophobicContact CD1-CD1 3.99Å; L354-F384 HydrophobicContact CD1-CE1 3.72Å; L354-F384 HydrophobicContact CD1-CE2 4.29Å; L354-F384 HydrophobicContact CD1-CG 4.39Å; L354-F384 HydrophobicContact CD1-CZ 3.9Å; L354-F384 HydrophobicContact CG-CE1 4.46Å; L354-F384 HydrophobicContact CG-CZ 4.42Å
355K89.1Confident88.6Confident113 Ų11379.2 Ų79.249%0.49140%0.403SS..Hα-helixtrans-59.3-50.9177.7-179-177.7169.1-176.60111.6F351 V352 A357 L358 E359F351-K355 WeakPolarHBondContact O-CB 3.41Å; F351-K355 PolarHBondContact O-N 3.03Å; V352-K355 PolarHBondContact O-N 3.05Å; K355-A357 PolarHBondContact O-N 3.46Å; K355-L358 PolarHBondContact O-N 3.13Å; K355-E359 WeakPolarHBondContact CE-OE1 3.47Å; K355-E359 IonicContact NZ-OE1 2.59Å; K355-E359 WeakPolarHBondContact O-CB 3.18Å; K355-E359 WeakPolarHBondContact O-CG 3.33Å; K355-E359 PolarHBondContact O-N 2.92Å
356E90.5Very high88.5Confident116 Ų11684.4 Ų84.454%0.54242%0.416SS..Hα-helixtrans-61.1-43.9179.4-71.6174168.900112V352 L358 E359 E360V352-E356 HydrophobicContact CG1-CG 4.36Å; V352-E356 WeakPolarHBondContact O-CG 3.48Å; V352-E356 PolarHBondContact O-N 3.44Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-L358 PolarHBondContact O-N 2.97Å; E356-E359 PolarHBondContact O-N 3.44Å; E356-E360 WeakPolarHBondContact O-CB 3.39Å; E356-E360 PolarHBondContact O-N 3.19Å
357A91.7Very high88.5Confident22 Ų2284.3 Ų84.318%0.18242%0.416CS..Hα-helixtrans-63.8-38.7177.800000112.1R353 L354 K355 F361 F380 F384R353-A357 VanDerWaalsContact O-CB 3.28Å; R353-A357 WeakPolarHBondContact O-CB 3.46Å; R353-A357 PolarHBondContact O-N 3.09Å; L354-A357 PolarHBondContact O-N 2.92Å; K355-A357 PolarHBondContact O-N 3.46Å; A357-F361 VanDerWaalsContact O-CB 3.31Å; A357-F361 WeakPolarHBondContact O-CB 3.43Å; A357-F361 PolarHBondContact O-N 3.31Å; A357-F380 HydrophobicContact CB-CE2 4.09Å; A357-F380 HydrophobicContact CB-CZ 4.08Å; A357-F380 WeakPolarHBondContact O-CE2 3.15Å; A357-F384 HydrophobicContact CB-CD2 3.68Å; A357-F384 HydrophobicContact CB-CE2 3.61Å
358L91.7Very high88.7Confident62 Ų6287.4 Ų87.433%0.32543%0.429SS..Hα-helixtrans-69.4-43177-169.269.6000111.3L354 K355 E356 E360 F361 L362 F380L354-L358 VanDerWaalsContact O-CB 3.31Å; L354-L358 WeakPolarHBondContact O-CB 3.3Å; L354-L358 PolarHBondContact O-N 3.14Å; K355-L358 PolarHBondContact O-N 3.13Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-L358 PolarHBondContact O-N 2.97Å; L358-E360 PolarHBondContact O-N 3.03Å; L358-F361 HydrophobicContact CD1-CD1 4.5Å; L358-F361 PolarHBondContact O-N 3.01Å; L358-L362 HydrophobicContact CG-CD1 4.08Å; L358-L362 HydrophobicContact CG-CG 4.5Å; L358-L362 WeakPolarHBondContact O-CB 3.22Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.24Å; L358-L362 PolarHBondContact O-N 3.34Å; L358-F380 HydrophobicContact CB-CZ 4.12Å; L358-F380 HydrophobicContact CD1-CD1 4.23Å; L358-F380 HydrophobicContact CD1-CE1 3.63Å; L358-F380 HydrophobicContact CD1-CZ 3.96Å
359E89.2Confident88.8Confident102 Ų10292.4 Ų92.448%0.47745%0.448SS..Hα-helixtrans-60.5-43.7174.5-77.1178.6179.100111.7K355 E356 T363K355-E359 WeakPolarHBondContact CE-OE1 3.47Å; K355-E359 IonicContact NZ-OE1 2.59Å; K355-E359 WeakPolarHBondContact O-CB 3.18Å; K355-E359 WeakPolarHBondContact O-CG 3.33Å; K355-E359 PolarHBondContact O-N 2.92Å; E356-E359 PolarHBondContact O-N 3.44Å; E359-T363 WeakPolarHBondContact O-CB 3.43Å; E359-T363 PolarHBondContact O-N 3.28Å; E359-T363 PolarHBondContact O-OG1 3.12Å
360E90.7Very high88.7Confident103 Ų10393.3 Ų93.348%0.48145%0.448SS..Hα-helixtrans-63.5-45.4176-174-174.3-17900111.4E356 L358 T363 K364E356-E360 WeakPolarHBondContact O-CB 3.39Å; E356-E360 PolarHBondContact O-N 3.19Å; L358-E360 PolarHBondContact O-N 3.03Å; E360-T363 PolarHBondContact O-N 3.43Å; E360-K364 HydrophobicContact CG-CD 4.28Å; E360-K364 WeakPolarHBondContact O-CB 3.23Å; E360-K364 WeakPolarHBondContact O-CG 3.37Å; E360-K364 PolarHBondContact O-N 3.45Å; E360-K364 WeakPolarHBondContact OE1-CE 3.42Å; E360-K364 IonicContact OE1-NZ 3.56Å; E360-K364 PolarHBondContact OE1-NZ 3.27Å
361F92Very high88.5Confident34 Ų3495.3 Ų95.315%0.14945%0.45CS..Hα-helixtrans-57.8-54.7176.9169.9-103.8000110.8A357 L358 T363 K364 K365 V372 E376 F380A357-F361 VanDerWaalsContact O-CB 3.31Å; A357-F361 WeakPolarHBondContact O-CB 3.43Å; A357-F361 PolarHBondContact O-N 3.31Å; L358-F361 HydrophobicContact CD1-CD1 4.5Å; L358-F361 PolarHBondContact O-N 3.01Å; F361-T363 PolarHBondContact O-N 3.17Å; F361-K364 PolarHBondContact O-N 2.75Å; F361-K365 HydrophobicContact CE2-CG 4.3Å; F361-K365 HydrophobicContact CZ-CG 4.33Å; F361-K365 VanDerWaalsContact O-CG 3.3Å; F361-K365 WeakPolarHBondContact O-CG 3.47Å; F361-K365 PolarHBondContact O-N 3.28Å; F361-V372 HydrophobicContact CE1-CG1 3.94Å; F361-V372 HydrophobicContact CZ-CG1 3.95Å; F361-E376 HydrophobicContact CZ-CB 4.27Å; F361-F380 HydrophobicContact CB-CD2 3.77Å; F361-F380 HydrophobicContact CB-CE2 3.8Å; F361-F380 HydrophobicContact CD1-CD2 4.37Å; F361-F380 HydrophobicContact CD1-CG 4.38Å; F361-F380 HydrophobicContact CD2-CB 4.17Å; F361-F380 AromaticContact CD2-CD2 3.93Å; F361-F380 HydrophobicContact CD2-CD2 3.93Å; F361-F380 HydrophobicContact CD2-CG 4.28Å; F361-F380 HydrophobicContact CE2-CB 4.06Å; F361-F380 HydrophobicContact CG-CB 4.48Å; F361-F380 AromaticContact CG-CD2 3.77Å; F361-F380 HydrophobicContact CG-CD2 3.77Å; F361-F380 HydrophobicContact CG-CE2 4.26Å; F361-F380 HydrophobicContact CG-CG 4.16Å; F361-F380 HydrophobicContact CZ-CB 4.28Å
362L89Confident88.4Confident72 Ų7291.8 Ų91.838%0.37744%0.439SS..Hα-helixtrans-64.7-38.7-178.4-67.3174.6000112L358 K365 R366 V372L358-L362 HydrophobicContact CG-CD1 4.08Å; L358-L362 HydrophobicContact CG-CG 4.5Å; L358-L362 WeakPolarHBondContact O-CB 3.22Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.24Å; L358-L362 PolarHBondContact O-N 3.34Å; L362-K365 PolarHBondContact O-N 3.4Å; L362-R366 WeakPolarHBondContact O-CB 3.23Å; L362-R366 PolarHBondContact O-N 2.95Å; L362-V372 HydrophobicContact CD2-CG2 4.49Å
363T87.9Confident88.4Confident54 Ų5490.9 Ų90.933%0.33143%0.433SS..Hα-helixtrans-63.3-45.8177.1-610000111.5E359 E360 F361 K365 R366 D367E359-T363 WeakPolarHBondContact O-CB 3.43Å; E359-T363 PolarHBondContact O-N 3.28Å; E359-T363 PolarHBondContact O-OG1 3.12Å; E360-T363 PolarHBondContact O-N 3.43Å; F361-T363 PolarHBondContact O-N 3.17Å; T363-K365 PolarHBondContact O-N 2.99Å; T363-R366 PolarHBondContact O-N 3.46Å; T363-D367 WeakPolarHBondContact O-CB 3.4Å; T363-D367 PolarHBondContact O-N 3.33Å
364K90.2Very high88.4Confident114 Ų11489.7 Ų89.750%0.49644%0.435SS..Hα-helixtrans-60.9-32.6176.7-77175.5-176.61690113E360 F361 K368E360-K364 HydrophobicContact CG-CD 4.28Å; E360-K364 WeakPolarHBondContact O-CB 3.23Å; E360-K364 WeakPolarHBondContact O-CG 3.37Å; E360-K364 PolarHBondContact O-N 3.45Å; E360-K364 WeakPolarHBondContact OE1-CE 3.42Å; E360-K364 IonicContact OE1-NZ 3.56Å; E360-K364 PolarHBondContact OE1-NZ 3.27Å; F361-K364 PolarHBondContact O-N 2.75Å; K364-K368 WeakPolarHBondContact O-CG 3.26Å
365K89.4Confident88.4Confident36 Ų3690.9 Ų90.916%0.15745%0.447CS..Hα-helixtrans-74.6-46.8176.5-65.1-59.2-160.6157.90111F361 L362 T363 D367 K368 N369 H370 V372 E376F361-K365 HydrophobicContact CE2-CG 4.3Å; F361-K365 HydrophobicContact CZ-CG 4.33Å; F361-K365 VanDerWaalsContact O-CG 3.3Å; F361-K365 WeakPolarHBondContact O-CG 3.47Å; F361-K365 PolarHBondContact O-N 3.28Å; L362-K365 PolarHBondContact O-N 3.4Å; T363-K365 PolarHBondContact O-N 2.99Å; K365-D367 PolarHBondContact O-N 3.16Å; K365-K368 PolarHBondContact O-N 3.18Å; K365-N369 PolarHBondContact O-N 2.87Å; K365-H370 HydrophobicContact CD-CB 4.35Å; K365-H370 PolarHBondContact NZ-CD2 3.17Å; K365-H370 VanDerWaalsContact NZ-CD2 3.33Å; K365-H370 PolarHBondContact NZ-NE2 2.75Å; K365-H370 VanDerWaalsContact NZ-NE2 3.19Å; K365-H370 WeakPolarHBondContact O-CB 3.4Å; K365-H370 PolarHBondContact O-N 3.44Å; K365-V372 HydrophobicContact CB-CG2 3.72Å; K365-V372 HydrophobicContact CG-CG2 3.89Å; K365-E376 WeakPolarHBondContact CE-OE2 3.35Å; K365-E376 IonicContact NZ-OE1 3.29Å; K365-E376 PolarHBondContact NZ-OE1 3.44Å; K365-E376 IonicContact NZ-OE2 3.88Å; K365-E376 PolarHBondContact NZ-OE2 3.38Å
366R84.2Confident88.5Confident170 Ų17087.6 Ų87.664%0.64243%0.434SS*.Hα-helixtrans-58.2-46.3175.3-173.1-162.167.2-168.4-3.6112.6L362 T363 K368 N369L362-R366 WeakPolarHBondContact O-CB 3.23Å; L362-R366 PolarHBondContact O-N 2.95Å; T363-R366 PolarHBondContact O-N 3.46Å; R366-K368 PolarHBondContact O-N 3.37Å; R366-N369 WeakPolarHBondContact O-CA 3.47Å; R366-N369 PolarHBondContact O-N 3.1Å
367D85.7Confident88.5Confident113 Ų11384.6 Ų84.660%0.60442%0.423SS*.THydrogen-bonded Turntrans-65.4-21.2-178.1-66.8-8000112.5T363 K365T363-D367 WeakPolarHBondContact O-CB 3.4Å; T363-D367 PolarHBondContact O-N 3.33Å; K365-D367 PolarHBondContact O-N 3.16Å
368K89.4Confident88.6Confident164 Ų16488.9 Ų88.971%0.71344%0.438SS*.THydrogen-bonded Turntrans-921.4172.6-67.9178.5-179.2-177.70113.3K364 K365 R366 H370K364-K368 WeakPolarHBondContact O-CG 3.26Å; K365-K368 PolarHBondContact O-N 3.18Å; R366-K368 PolarHBondContact O-N 3.37Å; K368-H370 HydrophobicContact CB-CB 4.05Å; K368-H370 PolarHBondContact O-N 3.03Å
369N84.5Confident88.6Confident156 Ų15688.4 Ų88.483%0.83444%0.443SS*.THydrogen-bonded Turntrans49.539.4-169.3-154.851.1000112K365 R366K365-N369 PolarHBondContact O-N 2.87Å; R366-N369 WeakPolarHBondContact O-CA 3.47Å; R366-N369 PolarHBondContact O-N 3.1Å
370H84.9Confident88.9Confident77 Ų7784.5 Ų84.536%0.35642%0.424SS..PPolyproline II helixtrans-96.3127.7-172.4178.894.4000110.8K365 K368 V372 E376K365-H370 HydrophobicContact CD-CB 4.35Å; K365-H370 PolarHBondContact NZ-CD2 3.17Å; K365-H370 VanDerWaalsContact NZ-CD2 3.33Å; K365-H370 PolarHBondContact NZ-NE2 2.75Å; K365-H370 VanDerWaalsContact NZ-NE2 3.19Å; K365-H370 WeakPolarHBondContact O-CB 3.4Å; K365-H370 PolarHBondContact O-N 3.44Å; K368-H370 HydrophobicContact CB-CB 4.05Å; K368-H370 PolarHBondContact O-N 3.03Å; H370-V372 PolarHBondContact O-N 3.03Å; H370-E376 IonicContact CD2-OE2 3.15Å; H370-E376 PolarHBondContact CD2-OE2 2.96Å; H370-E376 IonicContact CE1-OE1 2.87Å; H370-E376 VanDerWaalsContact NE2-CD 3.32Å; H370-E376 IonicContact NE2-OE1 3.35Å; H370-E376 PolarHBondContact NE2-OE1 2.93Å; H370-E376 IonicContact NE2-OE2 3.07Å; H370-E376 PolarHBondContact NE2-OE2 3.32Å
371I84Confident89Confident79 Ų7983.2 Ų83.241%0.40542%0.417SS..PPolyproline II helixtrans-70.9120.8174.2-59.5170.9000109D9 V11 T373D9-I371 HydrophobicContact CB-CD1 4.32Å; V11-I371 HydrophobicContact CG2-CD1 3.64Å; V11-I371 HydrophobicContact CG2-CG1 4.19Å; I371-T373 PolarHBondContact O-N 2.97Å
372V84.4Confident89.1Confident54 Ų5487 Ų8733%0.32744%0.435SS..PPolyproline II helixtrans-77.8121-179.7-1770000109.3F361 L362 K365 H370 V377F361-V372 HydrophobicContact CE1-CG1 3.94Å; F361-V372 HydrophobicContact CZ-CG1 3.95Å; L362-V372 HydrophobicContact CD2-CG2 4.49Å; K365-V372 HydrophobicContact CB-CG2 3.72Å; K365-V372 HydrophobicContact CG-CG2 3.89Å; H370-V372 PolarHBondContact O-N 3.03Å; V372-V377 HydrophobicContact CG1-CG2 3.63Å
373T87.8Confident89.2Confident52 Ų5286.6 Ų86.632%0.31943%0.433SS..PPolyproline II helixtrans-94158.317871.40000111.7I371 S375 E376 V377I371-T373 PolarHBondContact O-N 2.97Å; T373-S375 PolarHBondContact O-N 3.49Å; T373-S375 PolarHBondContact OG1-OG 3.37Å; T373-E376 PolarHBondContact N-OE2 3.32Å; T373-E376 PolarHBondContact O-N 3.21Å; T373-E376 WeakPolarHBondContact OG1-CG 3.32Å; T373-V377 PolarHBondContact O-N 2.59Å
374E89.4Confident89.4Confident138 Ų13886.3 Ų86.365%0.64543%0.428SS*.Hα-helixtrans-54-40176-167.4-160.7176.200112E376 V377 K378E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 3.04Å; E374-V377 PolarHBondContact O-N 3.03Å; E374-K378 WeakPolarHBondContact O-CG 3.43Å; E374-K378 PolarHBondContact O-N 3.38Å; E374-K378 WeakPolarHBondContact OE1-CE 3.41Å; E374-K378 IonicContact OE1-NZ 3.48Å; E374-K378 PolarHBondContact OE1-NZ 2.96Å; E374-K378 IonicContact OE2-NZ 2.86Å; E374-K378 PolarHBondContact OE2-NZ 2.94Å
375S91.4Very high89.3Confident77 Ų7788.7 Ų88.754%0.53843%0.434SS..Hα-helixtrans-61.6-36.1179.172.50000112.9T373 A379T373-S375 PolarHBondContact O-N 3.49Å; T373-S375 PolarHBondContact OG1-OG 3.37Å; S375-A379 WeakPolarHBondContact O-CB 3.14Å; S375-A379 PolarHBondContact O-N 2.91Å
376E91.7Very high89.3Confident45 Ų4593.4 Ų93.421%0.2145%0.454CS..Hα-helixtrans-74.2-36178.9-66.9-178.314000111.8F361 K365 H370 T373 E374 A379 F380F361-E376 HydrophobicContact CZ-CB 4.27Å; K365-E376 WeakPolarHBondContact CE-OE2 3.35Å; K365-E376 IonicContact NZ-OE1 3.29Å; K365-E376 PolarHBondContact NZ-OE1 3.44Å; K365-E376 IonicContact NZ-OE2 3.88Å; K365-E376 PolarHBondContact NZ-OE2 3.38Å; H370-E376 IonicContact CD2-OE2 3.15Å; H370-E376 PolarHBondContact CD2-OE2 2.96Å; H370-E376 IonicContact CE1-OE1 2.87Å; H370-E376 VanDerWaalsContact NE2-CD 3.32Å; H370-E376 IonicContact NE2-OE1 3.35Å; H370-E376 PolarHBondContact NE2-OE1 2.93Å; H370-E376 IonicContact NE2-OE2 3.07Å; H370-E376 PolarHBondContact NE2-OE2 3.32Å; T373-E376 PolarHBondContact N-OE2 3.32Å; T373-E376 PolarHBondContact O-N 3.21Å; T373-E376 WeakPolarHBondContact OG1-CG 3.32Å; E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 3.04Å; E376-A379 PolarHBondContact O-N 3.44Å; E376-F380 WeakPolarHBondContact O-CB 3.16Å; E376-F380 PolarHBondContact O-N 2.94Å
377V90.2Very high89.3Confident53 Ų5393 Ų9332%0.32145%0.452SS..Hα-helixtrans-64.2-46.5173179.10000110.1V372 T373 E374 A379 F380 F381V372-V377 HydrophobicContact CG1-CG2 3.63Å; T373-V377 PolarHBondContact O-N 2.59Å; E374-V377 PolarHBondContact O-N 3.03Å; V377-A379 VanDerWaalsContact C-N 3.35Å; V377-A379 PolarHBondContact O-N 3.5Å; V377-F380 WeakPolarHBondContact O-CB 3.27Å; V377-F380 PolarHBondContact O-N 3.41Å; V377-F381 HydrophobicContact CG1-CD2 3.83Å; V377-F381 HydrophobicContact CG1-CE2 3.66Å; V377-F381 VanDerWaalsContact O-CD2 3.28Å; V377-F381 WeakPolarHBondContact O-CD2 3.48Å; V377-F381 PolarHBondContact O-N 3.04Å
378K92.4Very high88.7Confident111 Ų11191.4 Ų91.448%0.48345%0.451SS..Hα-helixtrans-57-48.2174.6-73.7175.6-178.6164.10111.2E374 F380 F381 E382E374-K378 WeakPolarHBondContact O-CG 3.43Å; E374-K378 PolarHBondContact O-N 3.38Å; E374-K378 WeakPolarHBondContact OE1-CE 3.41Å; E374-K378 IonicContact OE1-NZ 3.48Å; E374-K378 PolarHBondContact OE1-NZ 2.96Å; E374-K378 IonicContact OE2-NZ 2.86Å; E374-K378 PolarHBondContact OE2-NZ 2.94Å; K378-F380 VanDerWaalsContact C-N 3.34Å; K378-F380 PolarHBondContact O-N 3.34Å; K378-F381 PolarHBondContact O-N 3.46Å; K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.21Å
379A93.3Very high87.7Confident52 Ų5291.9 Ų91.943%0.4346%0.455SS..Hα-helixtrans-61.8-39.517800000112.8S375 E376 V377 E382 D383S375-A379 WeakPolarHBondContact O-CB 3.14Å; S375-A379 PolarHBondContact O-N 2.91Å; E376-A379 PolarHBondContact O-N 3.44Å; V377-A379 VanDerWaalsContact C-N 3.35Å; V377-A379 PolarHBondContact O-N 3.5Å; A379-E382 PolarHBondContact O-N 3.01Å; A379-D383 WeakPolarHBondContact O-CB 3.02Å; A379-D383 PolarHBondContact O-N 3.36Å
380F94.2Very high86.2Confident21 Ų2191.3 Ų91.39%0.09246%0.464CS..Hα-helixtrans-58.5-50174.2163.5-96.3000111.4A357 L358 F361 E376 V377 K378 E382 D383 F384A357-F380 HydrophobicContact CB-CE2 4.09Å; A357-F380 HydrophobicContact CB-CZ 4.08Å; A357-F380 WeakPolarHBondContact O-CE2 3.15Å; L358-F380 HydrophobicContact CB-CZ 4.12Å; L358-F380 HydrophobicContact CD1-CD1 4.23Å; L358-F380 HydrophobicContact CD1-CE1 3.63Å; L358-F380 HydrophobicContact CD1-CZ 3.96Å; F361-F380 HydrophobicContact CB-CD2 3.77Å; F361-F380 HydrophobicContact CB-CE2 3.8Å; F361-F380 HydrophobicContact CD1-CD2 4.37Å; F361-F380 HydrophobicContact CD1-CG 4.38Å; F361-F380 HydrophobicContact CD2-CB 4.17Å; F361-F380 AromaticContact CD2-CD2 3.93Å; F361-F380 HydrophobicContact CD2-CD2 3.93Å; F361-F380 HydrophobicContact CD2-CG 4.28Å; F361-F380 HydrophobicContact CE2-CB 4.06Å; F361-F380 HydrophobicContact CG-CB 4.48Å; F361-F380 AromaticContact CG-CD2 3.77Å; F361-F380 HydrophobicContact CG-CD2 3.77Å; F361-F380 HydrophobicContact CG-CE2 4.26Å; F361-F380 HydrophobicContact CG-CG 4.16Å; F361-F380 HydrophobicContact CZ-CB 4.28Å; E376-F380 WeakPolarHBondContact O-CB 3.16Å; E376-F380 PolarHBondContact O-N 2.94Å; V377-F380 WeakPolarHBondContact O-CB 3.27Å; V377-F380 PolarHBondContact O-N 3.41Å; K378-F380 VanDerWaalsContact C-N 3.34Å; K378-F380 PolarHBondContact O-N 3.34Å; F380-E382 VanDerWaalsContact C-N 3.34Å; F380-E382 PolarHBondContact O-N 3.14Å; F380-D383 PolarHBondContact O-N 3.33Å; F380-F384 VanDerWaalsContact O-CB 3.32Å; F380-F384 WeakPolarHBondContact O-CB 3.33Å; F380-F384 PolarHBondContact O-N 3.37Å
381F93.4Very high86.3Confident76 Ų7692.1 Ų92.133%0.33347%0.469SS..Hα-helixtrans-67.6-34.2-179.7-79.1-71.6000112.6L354 V377 K378 R385L354-F381 HydrophobicContact CD1-CE1 4.04Å; V377-F381 HydrophobicContact CG1-CD2 3.83Å; V377-F381 HydrophobicContact CG1-CE2 3.66Å; V377-F381 VanDerWaalsContact O-CD2 3.28Å; V377-F381 WeakPolarHBondContact O-CD2 3.48Å; V377-F381 PolarHBondContact O-N 3.04Å; K378-F381 PolarHBondContact O-N 3.46Å; F381-R385 WeakPolarHBondContact O-CB 3.19Å; F381-R385 WeakPolarHBondContact O-CG 3.14Å; F381-R385 PolarHBondContact O-N 3.31Å
382E93.3Very high86.4Confident112 Ų11292.7 Ų92.752%0.52347%0.472SS..Hα-helixtrans-63.6-45.5172.3-75.1-177.2-172.200112.6K378 A379 F380 K386K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.21Å; A379-E382 PolarHBondContact O-N 3.01Å; F380-E382 VanDerWaalsContact C-N 3.34Å; F380-E382 PolarHBondContact O-N 3.14Å; E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.09Å; E382-K386 VanDerWaalsContact O-N 3.12Å
383D91.7Very high86.6Confident64 Ų6494.9 Ų94.934%0.34248%0.481SS..Hα-helixtrans-64.8-44.7176176.555000111.5A379 F380 R385 K386 R387A379-D383 WeakPolarHBondContact O-CB 3.02Å; A379-D383 PolarHBondContact O-N 3.36Å; F380-D383 PolarHBondContact O-N 3.33Å; D383-R385 VanDerWaalsContact C-N 3.34Å; D383-R385 PolarHBondContact O-N 3.34Å; D383-K386 PolarHBondContact O-N 3.17Å; D383-R387 WeakPolarHBondContact O-CG 3.47Å; D383-R387 PolarHBondContact O-N 3.45Å; D383-R387 IonicContact OD1-CZ 3.04Å; D383-R387 IonicContact OD1-NE 2.84Å; D383-R387 PolarHBondContact OD1-NE 3.49Å; D383-R387 VanDerWaalsContact OD1-NE 3.15Å; D383-R387 IonicContact OD1-NH2 2.6Å; D383-R387 PolarHBondContact OD1-NH2 3.1Å; D383-R387 IonicContact OD2-CZ 2.93Å; D383-R387 IonicContact OD2-NE 3.21Å; D383-R387 PolarHBondContact OD2-NE 3.12Å; D383-R387 IonicContact OD2-NH1 3.76Å; D383-R387 IonicContact OD2-NH2 3.55Å; D383-R387 PolarHBondContact OD2-NH2 3.18Å
384F91Very high86.5Confident48 Ų4897.4 Ų97.421%0.21149%0.49CS..Hα-helixtrans-58.4-45.3177-173.9-95.6000111.8L354 A357 F380 K386 R387 S388L354-F384 VanDerWaalsContact CA-CZ 3.42Å; L354-F384 HydrophobicContact CB-CE1 4.1Å; L354-F384 HydrophobicContact CB-CE2 4.44Å; L354-F384 HydrophobicContact CB-CZ 3.71Å; L354-F384 HydrophobicContact CD1-CD1 3.99Å; L354-F384 HydrophobicContact CD1-CE1 3.72Å; L354-F384 HydrophobicContact CD1-CE2 4.29Å; L354-F384 HydrophobicContact CD1-CG 4.39Å; L354-F384 HydrophobicContact CD1-CZ 3.9Å; L354-F384 HydrophobicContact CG-CE1 4.46Å; L354-F384 HydrophobicContact CG-CZ 4.42Å; A357-F384 HydrophobicContact CB-CD2 3.68Å; A357-F384 HydrophobicContact CB-CE2 3.61Å; F380-F384 VanDerWaalsContact O-CB 3.32Å; F380-F384 WeakPolarHBondContact O-CB 3.33Å; F380-F384 PolarHBondContact O-N 3.37Å; F384-K386 PolarHBondContact O-N 3.14Å; F384-R387 PolarHBondContact O-N 3.35Å; F384-S388 PolarHBondContact O-N 3.38Å; F384-S388 PolarHBondContact O-OG 3.22Å
385R88.9Confident86.3Confident165 Ų16594.9 Ų94.962%0.62348%0.48SS*.Hα-helixtrans-61.1-41.8175.9-75.7173.1-176.8-1803.1112.2F381 D383 S388 Q389F381-R385 WeakPolarHBondContact O-CB 3.19Å; F381-R385 WeakPolarHBondContact O-CG 3.14Å; F381-R385 PolarHBondContact O-N 3.31Å; D383-R385 VanDerWaalsContact C-N 3.34Å; D383-R385 PolarHBondContact O-N 3.34Å; R385-S388 WeakPolarHBondContact CA-OG 2.98Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 2.99Å; R385-Q389 WeakPolarHBondContact O-CG 3.44Å; R385-Q389 PolarHBondContact O-N 3.07Å
386K89.1Confident86Confident135 Ų13596.1 Ų96.159%0.58748%0.477SS*.Hα-helixtrans-61.9-43.9177.5-73.5169-173.7167.20111.4E382 D383 F384 S388 Q389 S390E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.09Å; E382-K386 VanDerWaalsContact O-N 3.12Å; D383-K386 PolarHBondContact O-N 3.17Å; F384-K386 PolarHBondContact O-N 3.14Å; K386-S388 VanDerWaalsContact C-N 3.31Å; K386-S388 PolarHBondContact O-N 3.29Å; K386-Q389 PolarHBondContact O-N 2.79Å; K386-S390 PolarHBondContact O-N 3.23Å
387R83.6Confident85.5Confident160 Ų16099.7 Ų99.760%0.60450%0.496SS*.Hα-helixtrans-68.1-26.7177.3-66178.5-168.3-172.54.9113.8D383 F384 S390D383-R387 WeakPolarHBondContact O-CG 3.47Å; D383-R387 PolarHBondContact O-N 3.45Å; D383-R387 IonicContact OD1-CZ 3.04Å; D383-R387 IonicContact OD1-NE 2.84Å; D383-R387 PolarHBondContact OD1-NE 3.49Å; D383-R387 VanDerWaalsContact OD1-NE 3.15Å; D383-R387 IonicContact OD1-NH2 2.6Å; D383-R387 PolarHBondContact OD1-NH2 3.1Å; D383-R387 IonicContact OD2-CZ 2.93Å; D383-R387 IonicContact OD2-NE 3.21Å; D383-R387 PolarHBondContact OD2-NE 3.12Å; D383-R387 IonicContact OD2-NH1 3.76Å; D383-R387 IonicContact OD2-NH2 3.55Å; D383-R387 PolarHBondContact OD2-NH2 3.18Å; F384-R387 PolarHBondContact O-N 3.35Å; R387-S390 PolarHBondContact O-OG 2.89Å; R387-S390 VanDerWaalsContact O-OG 3.1Å
388S74.8Confident85.2Confident81 Ų81103.3 Ų103.357%0.56651%0.509SS*.Hα-helixtrans-79.6-16.7175.963.90000114.1F384 R385 K386F384-S388 PolarHBondContact O-N 3.38Å; F384-S388 PolarHBondContact O-OG 3.22Å; R385-S388 WeakPolarHBondContact CA-OG 2.98Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 2.99Å; K386-S388 VanDerWaalsContact C-N 3.31Å; K386-S388 PolarHBondContact O-N 3.29Å
389Q67.8Low84.6Confident173 Ų173102.7 Ų102.781%0.80851%0.511SS*.Hα-helixtrans-94.2-20.8178.1-71.5178.62.900113.4R385 K386R385-Q389 WeakPolarHBondContact O-CG 3.44Å; R385-Q389 PolarHBondContact O-N 3.07Å; K386-Q389 PolarHBondContact O-N 2.79Å
390S54Low83.8Confident145 Ų145107.3 Ų107.3100%1.01452%0.519SS*.  trans-83.80170.763.10000111.4K386 R387K386-S390 PolarHBondContact O-N 3.23Å; R387-S390 PolarHBondContact O-OG 2.89Å; R387-S390 VanDerWaalsContact O-OG 3.1Å

Retrieved 390 of 390 residues in 526 ms (Link to these results)

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