A0A096NUQ9_PAPAN Loading...

Chromosome 14 open reading frame 28

AlphaFold DB (A0A2K5V3B5), UniProt , Accession A0A096NUQ9, Species PAPAN (Papio anubis, Olive baboon), Gene C14orf28, Length 310 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
1M60.9Low85Confident201 Ų20159.7 Ų59.799%0.9930%0.301SS*.  0132.30-175.4167.4168.200105.7Y99M1-Y99 HydrophobicContact CE-CE2 4.42Å
2K80.3Confident84.8Confident126 Ų12656.3 Ų56.355%0.54828%0.283SS..  trans-73.6139177.3-74.5-174.5176.9-178.10109E6 E7K2-E6 VanDerWaalsContact CA-OE2 3.29Å; K2-E6 WeakPolarHBondContact CA-OE2 3.13Å; K2-E6 HydrophobicContact CB-CB 4.41Å; K2-E7 HydrophobicContact CB-CG 4.08Å
3T90.6Very high84.1Confident38 Ų3865.7 Ų65.723%0.23332%0.322CS..  trans-72.2159.8174.663.20000110.3F5 E6 E7 D97T3-F5 PolarHBondContact O-N 3.25Å; T3-E6 PolarHBondContact N-OE2 3.38Å; T3-E6 VanDerWaalsContact N-OE2 3.12Å; T3-E6 PolarHBondContact O-N 3.17Å; T3-E6 WeakPolarHBondContact OG1-CB 3.42Å; T3-E6 WeakPolarHBondContact OG1-CG 3.34Å; T3-E6 PolarHBondContact OG1-N 3.31Å; T3-E6 VanDerWaalsContact OG1-N 3.09Å; T3-E7 WeakPolarHBondContact O-CG 3.47Å; T3-E7 PolarHBondContact O-N 2.84Å; T3-D97 WeakPolarHBondContact CB-OD1 3.45Å
4L90.4Very high82.9Confident1 Ų169.4 Ų69.41%0.00534%0.343CS..Hα-helixtrans-58.2-38.4174.8166.167.2000109.9E7 I8 F22 V26 Y67 M96 D97 Y99 F101L4-E7 PolarHBondContact O-N 3.19Å; L4-I8 HydrophobicContact CD1-CD1 4Å; L4-I8 HydrophobicContact CD1-CG1 4.19Å; L4-I8 HydrophobicContact CG-CD1 4.03Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.4Å; L4-I8 PolarHBondContact O-N 2.88Å; L4-F22 HydrophobicContact CD1-CZ 4.42Å; L4-V26 HydrophobicContact CD1-CG1 3.96Å; L4-V26 HydrophobicContact CD2-CG1 3.57Å; L4-V26 HydrophobicContact CG-CG1 4.28Å; L4-Y67 HydrophobicContact CD2-CE1 3.95Å; L4-Y67 HydrophobicContact CG-CE1 4.19Å; L4-M96 HydrophobicContact CD2-CE 4.22Å; L4-M96 WeakPolarHBondContact CD2-O 3.43Å; L4-D97 PolarHBondContact N-OD1 2.72Å; L4-Y99 HydrophobicContact CB-CE1 4.19Å; L4-Y99 HydrophobicContact CD1-CD1 4.35Å; L4-Y99 HydrophobicContact CD1-CE1 3.78Å; L4-F101 HydrophobicContact CD2-CE1 4.02Å; L4-F101 HydrophobicContact CD2-CZ 4.27Å
5F90.9Very high81.3Confident15 Ų1572.3 Ų72.37%0.06636%0.361CS..Hα-helixtrans-64.5-44.3179.2-172-110.1000112.2T3 E7 I8 K9 Y67 N71 E72 I272T3-F5 PolarHBondContact O-N 3.25Å; F5-E7 VanDerWaalsContact C-N 3.31Å; F5-E7 PolarHBondContact O-N 2.76Å; F5-I8 PolarHBondContact O-N 2.82Å; F5-K9 HydrophobicContact CD1-CD 4.16Å; F5-K9 HydrophobicContact CE1-CD 3.61Å; F5-K9 HydrophobicContact CE1-CG 4.36Å; F5-K9 HydrophobicContact CZ-CD 3.99Å; F5-K9 HydrophobicContact CZ-CG 4.49Å; F5-K9 WeakPolarHBondContact O-CB 3.47Å; F5-K9 PolarHBondContact O-N 2.97Å; F5-Y67 HydrophobicContact CB-CE1 4.09Å; F5-Y67 VanDerWaalsContact CB-OH 3.3Å; F5-Y67 WeakPolarHBondContact CB-OH 3.23Å; F5-Y67 HydrophobicContact CD2-CE1 4.29Å; F5-Y67 PolarHBondContact N-OH 3.38Å; F5-N71 HydrophobicContact CB-CB 4.39Å; F5-N71 HydrophobicContact CD1-CB 3.78Å; F5-N71 HydrophobicContact CD2-CB 3.54Å; F5-N71 HydrophobicContact CE1-CB 3.75Å; F5-N71 HydrophobicContact CE2-CB 3.53Å; F5-N71 HydrophobicContact CG-CB 3.66Å; F5-N71 HydrophobicContact CZ-CB 3.62Å; F5-E72 HydrophobicContact CE2-CG 4.22Å; F5-E72 HydrophobicContact CZ-CG 3.78Å; F5-E72 WeakPolarHBondContact CZ-OE1 3.32Å; F5-I272 HydrophobicContact CD2-CD1 3.91Å; F5-I272 HydrophobicContact CE2-CD1 3.57Å; F5-I272 HydrophobicContact CE2-CG1 3.85Å; F5-I272 HydrophobicContact CZ-CD1 4.24Å; F5-I272 HydrophobicContact CZ-CG1 4.18Å
6E90.1Very high79.5Confident99 Ų9981.6 Ų81.646%0.46339%0.393SS..Hα-helixtrans-62.6-36.9174.4-76.3173.2167.400112.3K2 T3 A10K2-E6 VanDerWaalsContact CA-OE2 3.29Å; K2-E6 WeakPolarHBondContact CA-OE2 3.13Å; K2-E6 HydrophobicContact CB-CB 4.41Å; T3-E6 PolarHBondContact N-OE2 3.38Å; T3-E6 VanDerWaalsContact N-OE2 3.12Å; T3-E6 PolarHBondContact O-N 3.17Å; T3-E6 WeakPolarHBondContact OG1-CB 3.42Å; T3-E6 WeakPolarHBondContact OG1-CG 3.34Å; T3-E6 PolarHBondContact OG1-N 3.31Å; T3-E6 VanDerWaalsContact OG1-N 3.09Å; E6-A10 WeakPolarHBondContact O-CB 3.39Å; E6-A10 PolarHBondContact O-N 2.94Å
7E88.7Confident77.8Confident48 Ų4884.8 Ų84.822%0.22441%0.412CS..Hα-helixtrans-64.7-45.7175.2-72.7-167.9165.800111.9K2 T3 L4 F5 A10 S11 R24 Y99K2-E7 HydrophobicContact CB-CG 4.08Å; T3-E7 WeakPolarHBondContact O-CG 3.47Å; T3-E7 PolarHBondContact O-N 2.84Å; L4-E7 PolarHBondContact O-N 3.19Å; F5-E7 VanDerWaalsContact C-N 3.31Å; F5-E7 PolarHBondContact O-N 2.76Å; E7-A10 PolarHBondContact O-N 2.77Å; E7-S11 WeakPolarHBondContact O-CB 3.35Å; E7-S11 PolarHBondContact O-N 3.44Å; E7-R24 IonicContact OE1-NH1 2.72Å; E7-R24 IonicContact OE2-NH1 3.22Å; E7-Y99 PolarHBondContact OE1-OH 3.01Å; E7-Y99 PolarHBondContact OE2-OH 3.09Å
8I88.4Confident76.4Confident0 Ų089.1 Ų89.10%043%0.431CS..Hα-helixtrans-62.2-49175.9-60.6166.1000109.5L4 F5 A10 S11 I12 F22 M64 I272 L287L4-I8 HydrophobicContact CD1-CD1 4Å; L4-I8 HydrophobicContact CD1-CG1 4.19Å; L4-I8 HydrophobicContact CG-CD1 4.03Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.4Å; L4-I8 PolarHBondContact O-N 2.88Å; F5-I8 PolarHBondContact O-N 2.82Å; I8-A10 PolarHBondContact O-N 2.84Å; I8-S11 WeakPolarHBondContact O-CB 3.3Å; I8-S11 PolarHBondContact O-N 3.11Å; I8-S11 VanDerWaalsContact O-N 3.11Å; I8-S11 PolarHBondContact O-OG 2.85Å; I8-I12 HydrophobicContact CG2-CD1 4.49Å; I8-I12 WeakPolarHBondContact O-CG1 3.43Å; I8-I12 PolarHBondContact O-N 2.96Å; I8-F22 HydrophobicContact CG1-CE2 4.22Å; I8-F22 HydrophobicContact CG1-CZ 4.41Å; I8-M64 HydrophobicContact CD1-CE 4.45Å; I8-I272 HydrophobicContact CB-CD1 4.07Å; I8-I272 HydrophobicContact CG2-CD1 3.62Å; I8-L287 HydrophobicContact CD1-CD2 3.91Å; I8-L287 HydrophobicContact CG1-CD2 4.01Å; I8-L287 HydrophobicContact CG2-CD2 4Å
9K88.8Confident75.3Confident58 Ų5890.7 Ų90.725%0.25244%0.442SS..Hα-helixtrans-59.4-42177.1-87.2-170.2162.3168.90113.1F5 S11 I12 K13 E72 I272F5-K9 HydrophobicContact CD1-CD 4.16Å; F5-K9 HydrophobicContact CE1-CD 3.61Å; F5-K9 HydrophobicContact CE1-CG 4.36Å; F5-K9 HydrophobicContact CZ-CD 3.99Å; F5-K9 HydrophobicContact CZ-CG 4.49Å; F5-K9 WeakPolarHBondContact O-CB 3.47Å; F5-K9 PolarHBondContact O-N 2.97Å; K9-S11 VanDerWaalsContact C-N 3.29Å; K9-S11 PolarHBondContact O-N 2.8Å; K9-I12 PolarHBondContact O-N 3.22Å; K9-K13 PolarHBondContact O-N 3.02Å; K9-K13 VanDerWaalsContact O-N 3.16Å; K9-E72 WeakPolarHBondContact CE-OE1 3.39Å; K9-E72 IonicContact NZ-OE1 3.09Å; K9-E72 PolarHBondContact NZ-OE1 2.83Å; K9-E72 IonicContact NZ-OE2 3.66Å; K9-E72 PolarHBondContact NZ-OE2 3.34Å; K9-I272 HydrophobicContact CG-CD1 3.84Å; K9-I272 HydrophobicContact CG-CG1 3.93Å
10A85.9Confident74.8Confident25 Ų2589.3 Ų89.321%0.20743%0.432CS..Hα-helixtrans-64.4-36.1176.800000111.6E6 E7 I8 I12 K13 N14E6-A10 WeakPolarHBondContact O-CB 3.39Å; E6-A10 PolarHBondContact O-N 2.94Å; E7-A10 PolarHBondContact O-N 2.77Å; I8-A10 PolarHBondContact O-N 2.84Å; A10-I12 PolarHBondContact O-N 3.15Å; A10-K13 PolarHBondContact O-N 2.93Å; A10-N14 VanDerWaalsContact O-CB 3.25Å; A10-N14 WeakPolarHBondContact O-CB 3.44Å; A10-N14 PolarHBondContact O-N 3.06Å; A10-N14 VanDerWaalsContact O-N 3.17Å; A10-N14 PolarHBondContact O-ND2 3.29Å
11S80.6Confident74.4Confident46 Ų4686.8 Ų86.832%0.32242%0.424SS..Hα-helixtrans-62.7-31.2176.7820000112.8E7 I8 K9E7-S11 WeakPolarHBondContact O-CB 3.35Å; E7-S11 PolarHBondContact O-N 3.44Å; I8-S11 WeakPolarHBondContact O-CB 3.3Å; I8-S11 PolarHBondContact O-N 3.11Å; I8-S11 VanDerWaalsContact O-N 3.11Å; I8-S11 PolarHBondContact O-OG 2.85Å; K9-S11 VanDerWaalsContact C-N 3.29Å; K9-S11 PolarHBondContact O-N 2.8Å
12I82.5Confident74.9Confident18 Ų1878.3 Ų78.39%0.09238%0.382CS..Hα-helixtrans-73.9-53.4176.8-61.9165.6000110.5I8 K9 A10 N14 I272 H275 M277I8-I12 HydrophobicContact CG2-CD1 4.49Å; I8-I12 WeakPolarHBondContact O-CG1 3.43Å; I8-I12 PolarHBondContact O-N 2.96Å; K9-I12 PolarHBondContact O-N 3.22Å; A10-I12 PolarHBondContact O-N 3.15Å; I12-N14 VanDerWaalsContact C-N 3.28Å; I12-N14 PolarHBondContact O-N 2.91Å; I12-I272 HydrophobicContact CD1-CB 4.46Å; I12-I272 HydrophobicContact CD1-CG1 4.44Å; I12-I272 HydrophobicContact CD1-CG2 3.44Å; I12-I272 VanDerWaalsContact CD1-CG2 3.44Å; I12-H275 HydrophobicContact CG2-CB 4.26Å; I12-M277 HydrophobicContact CD1-SD 4.21Å; I12-M277 HydrophobicContact CG1-SD 4.34Å
13K75.1Confident74.2Confident179 Ų17982.1 Ų82.178%0.77839%0.392SS*.Hα-helixtrans-63.7-29.7-175.1-72.1-173.1178.7-177.50113.9K9 A10 N15K9-K13 PolarHBondContact O-N 3.02Å; K9-K13 VanDerWaalsContact O-N 3.16Å; A10-K13 PolarHBondContact O-N 2.93Å; K13-N15 PolarHBondContact O-N 3.26Å
14N67.8Low73.3Confident117 Ų11787.3 Ų87.363%0.62641%0.408SS*.THydrogen-bonded Turntrans-828.2-163.8-86.9-20000117.1A10 I12A10-N14 VanDerWaalsContact O-CB 3.25Å; A10-N14 WeakPolarHBondContact O-CB 3.44Å; A10-N14 PolarHBondContact O-N 3.06Å; A10-N14 VanDerWaalsContact O-N 3.17Å; A10-N14 PolarHBondContact O-ND2 3.29Å; I12-N14 VanDerWaalsContact C-N 3.28Å; I12-N14 PolarHBondContact O-N 2.91Å
15N57.9Low72.4Confident114 Ų11490.6 Ų90.661%0.6143%0.429SS*.  trans-168.8172.3174.3-112.9-44.5000121.2K13 R20K13-N15 PolarHBondContact O-N 3.26Å; N15-R20 VanDerWaalsContact N-NH1 3.15Å; N15-R20 VanDerWaalsContact O-CZ 3.24Å; N15-R20 PolarHBondContact O-NH1 2.85Å; N15-R20 PolarHBondContact O-NH2 2.85Å
16Y52.6Low71.9Confident221 Ų22189.9 Ų89.987%0.86743%0.426SS*.  trans-97.61-162.8-90.1-98.2000120.5R20Y16-R20 VanDerWaalsContact N-NH2 3.15Å
17N51.2Low71.6Confident135 Ų13585.2 Ų85.272%0.72240%0.404SS*.SBendtrans-127.2145.6-179.8-84.7-28.3000115.7D19 R20N17-D19 PolarHBondContact O-N 2.7Å; N17-R20 PolarHBondContact O-NH2 2.68Å
18Q52.9Low71.3Confident162 Ų16285.2 Ų85.276%0.75741%0.408SS*.SBendtrans-84.341.4-153.5-64.4177.8-34.600118.2N291Q18-N291 PolarHBondContact O-ND2 3.47Å; Q18-N291 PolarHBondContact O-OD1 3.5Å
19D55.3Low70.9Confident120 Ų12091.2 Ų91.264%0.64243%0.431SS*.  trans-174.3116.5155.8-96.1-27.6000107N17 N291N17-D19 PolarHBondContact O-N 2.7Å; D19-N291 PolarHBondContact OD1-ND2 3.2Å
20R65.4Low70.7Confident62 Ų6288.7 Ų88.723%0.23442%0.422CS..EExtended strand (participates in β ladder)trans-129.6135.5-173.5-69.5-155.6-163.4109.240.2112.6N15 Y16 N17 L289N15-R20 VanDerWaalsContact N-NH1 3.15Å; N15-R20 VanDerWaalsContact O-CZ 3.24Å; N15-R20 PolarHBondContact O-NH1 2.85Å; N15-R20 PolarHBondContact O-NH2 2.85Å; Y16-R20 VanDerWaalsContact N-NH2 3.15Å; N17-R20 PolarHBondContact O-NH2 2.68Å; R20-L289 HydrophobicContact CB-CB 4.44Å; R20-L289 WeakPolarHBondContact O-CB 3.41Å; R20-L289 PolarHBondContact O-N 3.33Å
21S66.2Low70.8Confident38 Ų3888.4 Ų88.427%0.26642%0.421SS..EExtended strand (participates in β ladder)trans-122137.1-172.872.70000107.8W23 L287S21-W23 VanDerWaalsContact O-CD1 3.26Å; S21-W23 PolarHBondContact O-NE1 3.38Å; S21-L287 CarbonylContact C-O 3.52Å
22F72.3Confident71Confident23 Ų2389.8 Ų89.810%0.10143%0.428CS..EExtended strand (participates in β ladder)trans-90.1109.1-178.4-174-93000108.2L4 I8 R24 V26 V285 L287L4-F22 HydrophobicContact CD1-CZ 4.42Å; I8-F22 HydrophobicContact CG1-CE2 4.22Å; I8-F22 HydrophobicContact CG1-CZ 4.41Å; F22-R24 VanDerWaalsContact C-N 3.26Å; F22-R24 HydrophobicContact CD1-CB 4.27Å; F22-R24 WeakPolarHBondContact CD1-O 3.43Å; F22-R24 HydrophobicContact CE1-CB 3.69Å; F22-R24 VanDerWaalsContact CE1-O 3.26Å; F22-R24 WeakPolarHBondContact CE1-O 3.37Å; F22-R24 HydrophobicContact CZ-CB 4.37Å; F22-R24 PolarHBondContact O-N 3.48Å; F22-V26 HydrophobicContact CD1-CG2 3.7Å; F22-V26 HydrophobicContact CE1-CG2 3.75Å; F22-V285 WeakPolarHBondContact O-CG1 3.45Å; F22-L287 HydrophobicContact CB-CB 4Å; F22-L287 HydrophobicContact CB-CD2 4.24Å; F22-L287 HydrophobicContact CB-CG 4.29Å; F22-L287 WeakPolarHBondContact CB-O 3.18Å; F22-L287 HydrophobicContact CG-CD2 4.35Å; F22-L287 PolarHBondContact N-O 3.35Å
23W64.2Low71.3Confident205 Ų20592 Ų9278%0.77744%0.436SS*.  trans-73.4-9.7-165.7-63.988.8000115.3S21 V285S21-W23 VanDerWaalsContact O-CD1 3.26Å; S21-W23 PolarHBondContact O-NE1 3.38Å; W23-V285 HydrophobicContact CE3-CG2 3.92Å; W23-V285 HydrophobicContact CZ3-CG2 4.05Å
24R71.4Confident71.7Confident148 Ų14887.2 Ų87.256%0.55842%0.423SS*.SBendtrans-100.5131.9178.2-67.8-179.4178.2173-1.4109.7E7 F22 V26E7-R24 IonicContact OE1-NH1 2.72Å; E7-R24 IonicContact OE2-NH1 3.22Å; F22-R24 VanDerWaalsContact C-N 3.26Å; F22-R24 HydrophobicContact CD1-CB 4.27Å; F22-R24 WeakPolarHBondContact CD1-O 3.43Å; F22-R24 HydrophobicContact CE1-CB 3.69Å; F22-R24 VanDerWaalsContact CE1-O 3.26Å; F22-R24 WeakPolarHBondContact CE1-O 3.37Å; F22-R24 HydrophobicContact CZ-CB 4.37Å; F22-R24 PolarHBondContact O-N 3.48Å; R24-V26 PolarHBondContact O-N 2.87Å; R24-V26 VanDerWaalsContact O-N 3.15Å
25P71.7Confident72.4Confident69 Ų6984.7 Ų84.745%0.44841%0.408SS..  trans-64.8119.8179.724.6-31.6000110.3P28 F101 N286P25-P28 HydrophobicContact CB-CB 4.48Å; P25-F101 WeakPolarHBondContact O-CE2 3.25Å; P25-N286 WeakPolarHBondContact CA-ND2 3.33Å; P25-N286 WeakPolarHBondContact CA-OD1 3.47Å
26V81.1Confident73.4Confident1 Ų185 Ų851%0.00640%0.404CS..SBendtrans-82.2-37.6178.8-163.90000112.6L4 F22 R24 M64 F101 N286 L287L4-V26 HydrophobicContact CD1-CG1 3.96Å; L4-V26 HydrophobicContact CD2-CG1 3.57Å; L4-V26 HydrophobicContact CG-CG1 4.28Å; F22-V26 HydrophobicContact CD1-CG2 3.7Å; F22-V26 HydrophobicContact CE1-CG2 3.75Å; R24-V26 PolarHBondContact O-N 2.87Å; R24-V26 VanDerWaalsContact O-N 3.15Å; V26-M64 HydrophobicContact CB-CE 4.4Å; V26-M64 HydrophobicContact CB-SD 4.06Å; V26-M64 HydrophobicContact CG1-CE 3.57Å; V26-M64 HydrophobicContact CG1-SD 3.33Å; V26-M64 WeakPolarHBondContact CG1-SD 3.45Å; V26-F101 HydrophobicContact CG1-CE1 4.44Å; V26-F101 HydrophobicContact CG1-CZ 4.32Å; V26-F101 WeakPolarHBondContact O-CD1 3.31Å; V26-F101 WeakPolarHBondContact O-CD2 3.22Å; V26-F101 WeakPolarHBondContact O-CE1 2.85Å; V26-F101 WeakPolarHBondContact O-CE2 3.49Å; V26-F101 WeakPolarHBondContact O-CG 3.44Å; V26-F101 WeakPolarHBondContact O-CZ 3.37Å; V26-N286 PolarHBondContact N-ND2 3.35Å; V26-N286 PolarHBondContact N-OD1 3.27Å; V26-L287 HydrophobicContact CG2-CB 4.18Å; V26-L287 HydrophobicContact CG2-CD2 3.95Å
27L82.8Confident74.2Confident0 Ų077.5 Ų77.50%039%0.388CS..SBendtrans-140.4115.2161.9-70.8175.4000105.8D60 L63 M64 M96 F101 Y279 N286L27-D60 HydrophobicContact CB-CB 4.2Å; L27-D60 HydrophobicContact CD1-CB 4.11Å; L27-D60 VanDerWaalsContact CD1-O 3.27Å; L27-D60 WeakPolarHBondContact CD1-O 3.16Å; L27-L63 HydrophobicContact CD1-CB 3.85Å; L27-M64 HydrophobicContact CD1-CG 3.8Å; L27-M64 HydrophobicContact CD1-SD 4.02Å; L27-M64 HydrophobicContact CG-CG 4.3Å; L27-M64 HydrophobicContact CG-SD 4.06Å; L27-M96 HydrophobicContact CD2-SD 4.27Å; L27-F101 HydrophobicContact CD2-CB 3.58Å; L27-F101 HydrophobicContact CD2-CD1 3.57Å; L27-F101 HydrophobicContact CD2-CE1 4.48Å; L27-F101 HydrophobicContact CD2-CG 3.77Å; L27-Y279 HydrophobicContact CB-CE2 4.29Å; L27-Y279 VanDerWaalsContact CB-OH 3.26Å; L27-Y279 WeakPolarHBondContact CB-OH 3.14Å; L27-Y279 PolarHBondContact O-OH 3.48Å; L27-N286 PolarHBondContact N-ND2 2.72Å; L27-N286 PolarHBondContact O-ND2 2.92Å
28P82.4Confident75.1Confident48 Ų4872.5 Ų72.531%0.31237%0.369SS..  trans-78149.8178.529.2-33.4000110.1P25 G30 K105P25-P28 HydrophobicContact CB-CB 4.48Å; P28-G30 PolarHBondContact O-N 3.26Å; P28-K105 PolarHBondContact O-NZ 3.41Å
29W81.4Confident75.5Confident126 Ų12673 Ų7348%0.47736%0.363SS..SBendtrans-59.9120.9169.4-179.278.2000110.8N55 G281 L282W29-N55 WeakPolarHBondContact CZ2-OD1 3.46Å; W29-G281 VanDerWaalsContact CB-O 3.32Å; W29-G281 WeakPolarHBondContact CB-O 2.99Å; W29-G281 PolarHBondContact N-O 2.87Å; W29-L282 HydrophobicContact CB-CD2 4.28Å; W29-L282 HydrophobicContact CD2-CD2 4.05Å; W29-L282 HydrophobicContact CG-CD2 3.82Å
30G84.8Confident75.7Confident6 Ų673 Ų736%0.06236%0.358CS..SBendtrans82.4-160.4-17700000115P28 L53 T56 K105P28-G30 PolarHBondContact O-N 3.26Å; G30-L53 VanDerWaalsContact CA-O 3.24Å; G30-L53 WeakPolarHBondContact CA-O 3.34Å; G30-T56 PolarHBondContact N-OG1 3.3Å; G30-K105 PolarHBondContact O-NZ 3.23Å
31G86.5Confident75.3Confident18 Ų1875.2 Ų75.219%0.18639%0.389CS..EExtended strand (participates in β ladder)trans164.8156.1177.900000113R52 L53G31-R52 WeakPolarHBondContact O-CA 3.28Å; G31-L53 PolarHBondContact N-O 2.99Å; G31-L53 PolarHBondContact O-N 3.47Å
32V86.6Confident74.9Confident76 Ų7680.4 Ų80.446%0.46142%0.419SS..EExtended strand (participates in β ladder)trans-124.5130.7173.7-174.90000109E50 I51 R52V32-E50 HydrophobicContact CG1-CG 3.52Å; V32-I51 CarbonylContact C-O 3.59Å; V32-I51 WeakPolarHBondContact CA-O 3.15Å; V32-R52 HydrophobicContact CG2-CG 4.3Å
33F87.1Confident74.4Confident63 Ų6382.2 Ų82.228%0.27644%0.435SS..EExtended strand (participates in β ladder)trans-133.6140.7179.8-170.5-107.5000110.2I35 E50 I51 T102 T103 L106F33-I35 HydrophobicContact CD1-CD1 3.95Å; F33-I35 HydrophobicContact CD1-CG1 3.53Å; F33-I35 HydrophobicContact CE1-CD1 3.81Å; F33-I35 HydrophobicContact CE1-CG1 3.48Å; F33-I35 VanDerWaalsContact CE1-CG1 3.48Å; F33-E50 CarbonylContact O-C 3.52Å; F33-I51 HydrophobicContact CB-CB 4.47Å; F33-I51 PolarHBondContact N-O 2.93Å; F33-I51 PolarHBondContact O-N 2.8Å; F33-T102 HydrophobicContact CB-CG2 3.99Å; F33-T103 WeakPolarHBondContact CE2-OG1 3.3Å; F33-L106 HydrophobicContact CB-CD1 3.34Å; F33-L106 HydrophobicContact CD1-CD1 3.35Å; F33-L106 HydrophobicContact CD2-CD1 3.93Å; F33-L106 HydrophobicContact CE1-CD1 4.05Å; F33-L106 HydrophobicContact CG-CD1 3.27Å
34T84.8Confident74.2Confident80 Ų8077 Ų7749%0.49143%0.429SS..EExtended strand (participates in β ladder)trans-116.8121-176.3-53.40000110.2Y48T34-Y48 HydrophobicContact CG2-CD1 3.8Å; T34-Y48 HydrophobicContact CG2-CG 4.04Å
35I81.3Confident73.5Confident63 Ų6373.7 Ų73.732%0.32343%0.425SS..EExtended strand (participates in β ladder)trans-109137.4178.6-54.6-169.6000109.8F33 A37 Y48 V49 I51 W110F33-I35 HydrophobicContact CD1-CD1 3.95Å; F33-I35 HydrophobicContact CD1-CG1 3.53Å; F33-I35 HydrophobicContact CE1-CD1 3.81Å; F33-I35 HydrophobicContact CE1-CG1 3.48Å; F33-I35 VanDerWaalsContact CE1-CG1 3.48Å; I35-A37 PolarHBondContact O-N 2.78Å; I35-Y48 CarbonylContact O-C 3.41Å; I35-Y48 VanDerWaalsContact O-CA 3.28Å; I35-Y48 WeakPolarHBondContact O-CA 3.45Å; I35-V49 PolarHBondContact N-O 2.96Å; I35-V49 PolarHBondContact O-N 2.91Å; I35-I51 HydrophobicContact CD1-CD1 3.39Å; I35-I51 HydrophobicContact CG1-CD1 3.85Å; I35-W110 HydrophobicContact CD1-CH2 4.08Å
36K79.7Confident73Confident121 Ų12172.4 Ų72.453%0.52642%0.417SS..EExtended strand (participates in β ladder)trans-74.8109.9170.9-174.3178.3178.2176.80109.5P46 L47 Y48K36-P46 HydrophobicContact CG-CB 4.39Å; K36-L47 CarbonylContact C-O 3.43Å; K36-Y48 HydrophobicContact CB-CD1 4.1Å; K36-Y48 HydrophobicContact CB-CE1 3.91Å; K36-Y48 HydrophobicContact CG-CE1 4.22Å
37A69.9Low72.6Confident64 Ų6475.9 Ų75.953%0.52944%0.435SS..EExtended strand (participates in β ladder)trans-93-10.3-175.900000114.3I35 L47 V49I35-A37 PolarHBondContact O-N 2.78Å; A37-L47 PolarHBondContact N-O 3.01Å; A37-V49 HydrophobicContact CB-CB 4.29Å; A37-V49 HydrophobicContact CB-CG2 3.52Å
38G69.1Low72.4Confident30 Ų3081.7 Ų81.731%0.30946%0.457SS..EExtended strand (participates in β ladder)trans154.3-153.3176.500000113.6P46 L47G38-P46 CarbonylContact O-C 3.55Å; G38-P46 VanDerWaalsContact O-CA 3.29Å; G38-P46 WeakPolarHBondContact O-CA 3.5Å; G38-L47 PolarHBondContact N-O 2.79Å; G38-L47 PolarHBondContact O-N 2.94Å
39R62.4Low72.5Confident171 Ų17181.6 Ų81.665%0.64546%0.456SS*.EExtended strand (participates in β ladder)trans-128.7140.7170.9-63.5-176.8-173.8-175.10.2109.3A41 T45R39-A41 PolarHBondContact O-N 2.86Å; R39-T45 WeakPolarHBondContact CA-O 3.44Å
40K58.2Low72.9Confident121 Ų12178.5 Ų78.553%0.52645%0.447SS..  trans-64.5128.7169.2-85.6-174.9177.3179.70109.3V42 S43 C44 T45 L47K40-V42 PolarHBondContact O-N 2.87Å; K40-S43 PolarHBondContact O-N 2.98Å; K40-C44 PolarHBondContact O-N 3.3Å; K40-T45 PolarHBondContact N-O 3.32Å; K40-L47 HydrophobicContact CD-CD2 4.46Å; K40-L47 HydrophobicContact CG-CD1 3.85Å; K40-L47 HydrophobicContact CG-CD2 3.87Å; K40-L47 HydrophobicContact CG-CG 3.83Å
41A58.1Low73.3Confident109 Ų10978.5 Ų78.590%0.90145%0.445SS*.THydrogen-bonded Turntrans-57.1-21.4-175.500000114.6R39R39-A41 PolarHBondContact O-N 2.86Å
42V57.4Low73.6Confident146 Ų14682.8 Ų82.889%0.88546%0.456SS*.THydrogen-bonded Turntrans-106-22.5-174.3-171.70000113.3K40K40-V42 PolarHBondContact O-N 2.87Å
43S62.5Low73.9Confident62 Ų6279.5 Ų79.543%0.43444%0.436SS..THydrogen-bonded Turntrans-123.90.5-170.171.30000115.2K40 T45K40-S43 PolarHBondContact O-N 2.98Å; S43-T45 WeakPolarHBondContact CB-OG1 3.34Å; S43-T45 PolarHBondContact O-N 2.74Å; S43-T45 PolarHBondContact O-OG1 3.34Å; S43-T45 WeakPolarHBondContact OG-CB 3.43Å; S43-T45 PolarHBondContact OG-OG1 2.85Å
44C58.7Low74.1Confident96 Ų9681.1 Ų81.165%0.64944%0.443SS*.  trans53.17.1-173.1-72.60000115.1K40K40-C44 PolarHBondContact O-N 3.3Å
45T57.3Low74.3Confident77 Ų7779.4 Ų79.447%0.47243%0.43SS..PPolyproline II helixtrans-72.4127.9-179.2-40.70000108.7R39 K40 S43 L47R39-T45 WeakPolarHBondContact CA-O 3.44Å; K40-T45 PolarHBondContact N-O 3.32Å; S43-T45 WeakPolarHBondContact CB-OG1 3.34Å; S43-T45 PolarHBondContact O-N 2.74Å; S43-T45 PolarHBondContact O-OG1 3.34Å; S43-T45 WeakPolarHBondContact OG-CB 3.43Å; S43-T45 PolarHBondContact OG-OG1 2.85Å; T45-L47 PolarHBondContact O-N 3.3Å
46P61.5Low74.8Confident43 Ų4376.4 Ų76.428%0.27942%0.415SS..EExtended strand (participates in β ladder)trans-60.7128.4175.917.8-23.5000110.3K36 G38 Y48K36-P46 HydrophobicContact CG-CB 4.39Å; G38-P46 CarbonylContact O-C 3.55Å; G38-P46 VanDerWaalsContact O-CA 3.29Å; G38-P46 WeakPolarHBondContact O-CA 3.5Å; P46-Y48 HydrophobicContact CB-CD2 4.35Å; P46-Y48 HydrophobicContact CB-CE2 3.62Å; P46-Y48 HydrophobicContact CG-CE2 3.65Å; P46-Y48 WeakPolarHBondContact O-CD2 3.41Å
47L72.8Confident75.3Confident73 Ų7371 Ų7138%0.38239%0.393SS..EExtended strand (participates in β ladder)trans-81.6126.9170.2-80.2156.7000107.2K36 A37 G38 K40 T45K36-L47 CarbonylContact C-O 3.43Å; A37-L47 PolarHBondContact N-O 3.01Å; G38-L47 PolarHBondContact N-O 2.79Å; G38-L47 PolarHBondContact O-N 2.94Å; K40-L47 HydrophobicContact CD-CD2 4.46Å; K40-L47 HydrophobicContact CG-CD1 3.85Å; K40-L47 HydrophobicContact CG-CD2 3.87Å; K40-L47 HydrophobicContact CG-CG 3.83Å; T45-L47 PolarHBondContact O-N 3.3Å
48Y78.5Confident76.1Confident123 Ų12368.3 Ų68.348%0.48237%0.37SS..EExtended strand (participates in β ladder)trans-112.8140.5173.6-65.8-84.9000109.1T34 I35 K36 P46T34-Y48 HydrophobicContact CG2-CD1 3.8Å; T34-Y48 HydrophobicContact CG2-CG 4.04Å; I35-Y48 CarbonylContact O-C 3.41Å; I35-Y48 VanDerWaalsContact O-CA 3.28Å; I35-Y48 WeakPolarHBondContact O-CA 3.45Å; K36-Y48 HydrophobicContact CB-CD1 4.1Å; K36-Y48 HydrophobicContact CB-CE1 3.91Å; K36-Y48 HydrophobicContact CG-CE1 4.22Å; P46-Y48 HydrophobicContact CB-CD2 4.35Å; P46-Y48 HydrophobicContact CB-CE2 3.62Å; P46-Y48 HydrophobicContact CG-CE2 3.65Å; P46-Y48 WeakPolarHBondContact O-CD2 3.41Å
49V83.9Confident77.1Confident46 Ų4666.9 Ų66.928%0.27936%0.355SS..EExtended strand (participates in β ladder)trans-108.4125.9169.3171.60000107.3I35 A37 I51 A125 L127I35-V49 PolarHBondContact N-O 2.96Å; I35-V49 PolarHBondContact O-N 2.91Å; A37-V49 HydrophobicContact CB-CB 4.29Å; A37-V49 HydrophobicContact CB-CG2 3.52Å; V49-I51 HydrophobicContact CG1-CG1 4.39Å; V49-A125 WeakPolarHBondContact CA-O 3.4Å; V49-L127 HydrophobicContact CG1-CB 4.42Å
50E90.6Very high78.5Confident61 Ų6158.8 Ų58.829%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-84.4134.8172.4-171-177.769.500108.9V32 F33 R52 A125 S126 L127V32-E50 HydrophobicContact CG1-CG 3.52Å; F33-E50 CarbonylContact O-C 3.52Å; E50-R52 VanDerWaalsContact CD-NH2 3.29Å; E50-R52 HydrophobicContact CG-CG 4.34Å; E50-R52 IonicContact OE1-CZ 3.61Å; E50-R52 IonicContact OE1-NE 2.78Å; E50-R52 PolarHBondContact OE1-NE 2.77Å; E50-R52 IonicContact OE1-NH2 2.86Å; E50-R52 PolarHBondContact OE1-NH2 3.17Å; E50-R52 IonicContact OE2-NH2 3.85Å; E50-R52 PolarHBondContact OE2-NH2 3.36Å; E50-A125 PolarHBondContact N-O 2.81Å; E50-A125 VanDerWaalsContact N-O 3.07Å; E50-S126 CarbonylContact O-C 3.59Å; E50-S126 WeakPolarHBondContact O-CA 2.81Å; E50-L127 PolarHBondContact O-N 2.73Å
51I91.8Very high80Confident6 Ų653.1 Ų53.13%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-115.9121.2176.7-55.8-175.7000107.3V32 F33 I35 V49 L53 L106 W110 L127 I129V32-I51 CarbonylContact C-O 3.59Å; V32-I51 WeakPolarHBondContact CA-O 3.15Å; F33-I51 HydrophobicContact CB-CB 4.47Å; F33-I51 PolarHBondContact N-O 2.93Å; F33-I51 PolarHBondContact O-N 2.8Å; I35-I51 HydrophobicContact CD1-CD1 3.39Å; I35-I51 HydrophobicContact CG1-CD1 3.85Å; V49-I51 HydrophobicContact CG1-CG1 4.39Å; I51-L53 HydrophobicContact CG2-CD2 4.42Å; I51-L106 HydrophobicContact CG2-CD2 4.3Å; I51-W110 HydrophobicContact CD1-CH2 3.49Å; I51-W110 VanDerWaalsContact CD1-CH2 3.49Å; I51-W110 HydrophobicContact CD1-CZ2 3.85Å; I51-L127 CarbonylContact C-O 3.55Å; I51-L127 VanDerWaalsContact CA-O 3.24Å; I51-L127 WeakPolarHBondContact CA-O 3.4Å; I51-L127 HydrophobicContact CD1-CD2 4.45Å; I51-L127 HydrophobicContact CG1-CB 4.29Å; I51-I129 HydrophobicContact CG2-CD1 3.96Å; I51-I129 HydrophobicContact CG2-CG1 4.4Å
52R92.8Very high81.6Confident107 Ų10748.1 Ų48.140%0.40426%0.258SS..EExtended strand (participates in β ladder)trans-111.5122.8179.1-63.1-173178.4-113.7-8.1109.7G31 V32 E50 L127 I128 I129G31-R52 WeakPolarHBondContact O-CA 3.28Å; V32-R52 HydrophobicContact CG2-CG 4.3Å; E50-R52 VanDerWaalsContact CD-NH2 3.29Å; E50-R52 HydrophobicContact CG-CG 4.34Å; E50-R52 IonicContact OE1-CZ 3.61Å; E50-R52 IonicContact OE1-NE 2.78Å; E50-R52 PolarHBondContact OE1-NE 2.77Å; E50-R52 IonicContact OE1-NH2 2.86Å; E50-R52 PolarHBondContact OE1-NH2 3.17Å; E50-R52 IonicContact OE2-NH2 3.85Å; E50-R52 PolarHBondContact OE2-NH2 3.36Å; R52-L127 PolarHBondContact N-O 3.2Å; R52-I128 HydrophobicContact CB-CG1 4.4Å; R52-I128 CarbonylContact O-C 3.57Å; R52-I128 WeakPolarHBondContact O-CA 3.48Å; R52-I129 PolarHBondContact O-N 3.24Å
53L93.7Very high83.4Confident8 Ų841.2 Ų41.24%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-92.7133.7173.1-56.8-174.3000110.2G30 G31 I51 T56 T102 K105 L106 I109 I129G30-L53 VanDerWaalsContact CA-O 3.24Å; G30-L53 WeakPolarHBondContact CA-O 3.34Å; G31-L53 PolarHBondContact N-O 2.99Å; G31-L53 PolarHBondContact O-N 3.47Å; I51-L53 HydrophobicContact CG2-CD2 4.42Å; L53-T56 HydrophobicContact CB-CG2 3.73Å; L53-T56 HydrophobicContact CD1-CG2 4.46Å; L53-T102 HydrophobicContact CD1-CG2 4.29Å; L53-K105 HydrophobicContact CD1-CB 3.69Å; L53-K105 HydrophobicContact CD1-CD 3.84Å; L53-K105 HydrophobicContact CD1-CG 4.46Å; L53-L106 HydrophobicContact CD1-CD2 3.98Å; L53-L106 HydrophobicContact CD1-CG 4.2Å; L53-L106 HydrophobicContact CD2-CD2 3.73Å; L53-L106 HydrophobicContact CG-CD2 4.2Å; L53-I109 HydrophobicContact CD1-CD1 4.23Å; L53-I109 HydrophobicContact CD2-CD1 3.88Å; L53-I129 WeakPolarHBondContact CA-O 3.23Å; L53-I129 HydrophobicContact CD2-CB 3.76Å; L53-I129 HydrophobicContact CD2-CD1 4.2Å; L53-I129 HydrophobicContact CD2-CG1 4.45Å; L53-I129 HydrophobicContact CD2-CG2 4.17Å
54K91.4Very high84.9Confident97 Ų9738.2 Ų38.242%0.42220%0.196SC..EExtended strand (participates in β ladder)trans-125.4154.8173.9-67.1-174.7178.2-179.40110.7T56 I128 I129 L131K54-T56 VanDerWaalsContact C-N 3.3Å; K54-T56 PolarHBondContact O-N 3.15Å; K54-I128 HydrophobicContact CD-CG2 3.94Å; K54-I128 HydrophobicContact CG-CG2 4.25Å; K54-I129 PolarHBondContact N-O 3.02Å; K54-L131 PolarHBondContact O-N 2.87Å
55N89.3Confident86.6Confident43 Ų4333.8 Ų33.823%0.2317%0.166CC..  trans54.142.8173.7-58.1-42000113.6W29 C57 D130 F132W29-N55 WeakPolarHBondContact CZ2-OD1 3.46Å; N55-C57 VanDerWaalsContact C-N 3.26Å; N55-C57 PolarHBondContact O-N 2.81Å; N55-D130 WeakPolarHBondContact CB-OD1 3.37Å; N55-D130 PolarHBondContact ND2-OD1 3.24Å; N55-D130 PolarHBondContact ND2-OD2 3.17Å; N55-F132 HydrophobicContact CB-CB 4.02Å; N55-F132 HydrophobicContact CB-CD2 4.47Å
56T91.5Very high88.4Confident0 Ų030.2 Ų30.20%014%0.143CC..THydrogen-bonded Turntrans-78.6-5.9-172.862.30000114.3G30 L53 K54 T58 I59 D60 K105 L131G30-T56 PolarHBondContact N-OG1 3.3Å; L53-T56 HydrophobicContact CB-CG2 3.73Å; L53-T56 HydrophobicContact CD1-CG2 4.46Å; K54-T56 VanDerWaalsContact C-N 3.3Å; K54-T56 PolarHBondContact O-N 3.15Å; T56-T58 PolarHBondContact O-N 3.13Å; T56-I59 WeakPolarHBondContact O-CG1 3.47Å; T56-I59 PolarHBondContact O-N 2.81Å; T56-D60 WeakPolarHBondContact CB-OD2 3.21Å; T56-D60 PolarHBondContact O-N 3.26Å; T56-D60 PolarHBondContact OG1-OD2 3Å; T56-K105 HydrophobicContact CG2-CD 4.08Å; T56-L131 HydrophobicContact CG2-CD1 3.99Å
57C89.2Confident90Very high9 Ų928.1 Ų28.16%0.06113%0.13CC..Hα-helixtrans-54.4-34.2-173.8530000113N55 I59 D60 H265N55-C57 VanDerWaalsContact C-N 3.26Å; N55-C57 PolarHBondContact O-N 2.81Å; C57-I59 VanDerWaalsContact C-N 3.3Å; C57-I59 PolarHBondContact O-N 2.82Å; C57-D60 PolarHBondContact O-N 3.29Å; C57-H265 VanDerWaalsContact CB-CE1 3.5Å; C57-H265 WeakPolarHBondContact CB-CE1 3.4Å; C57-H265 WeakPolarHBondContact CB-ND1 3.42Å
58T86.8Confident91Very high7 Ų724.7 Ų24.74%0.04311%0.112CC..Hα-helixtrans-62.7-32178.6-43.80000113.6T56 G133 N134 N138 Y266T56-T58 PolarHBondContact O-N 3.13Å; T58-G133 PolarHBondContact OG1-O 2.75Å; T58-N134 WeakPolarHBondContact CG2-O 3.36Å; T58-N138 WeakPolarHBondContact CB-ND2 3.28Å; T58-N138 HydrophobicContact CG2-CB 3.88Å; T58-N138 VanDerWaalsContact CG2-ND2 3.31Å; T58-N138 WeakPolarHBondContact CG2-ND2 3.13Å; T58-Y266 HydrophobicContact CG2-CD2 3.9Å; T58-Y266 HydrophobicContact CG2-CE2 3.95Å; T58-Y266 HydrophobicContact CG2-CG 4.26Å; T58-Y266 WeakPolarHBondContact OG1-CD2 3.26Å
59I91.1Very high91.8Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-95.6-27.6175.861.9162000112.7T56 C57 G61 F62 L63 K105 L131 N138T56-I59 WeakPolarHBondContact O-CG1 3.47Å; T56-I59 PolarHBondContact O-N 2.81Å; C57-I59 VanDerWaalsContact C-N 3.3Å; C57-I59 PolarHBondContact O-N 2.82Å; I59-G61 PolarHBondContact O-N 2.65Å; I59-F62 PolarHBondContact O-N 3.28Å; I59-L63 HydrophobicContact CB-CD1 4.44Å; I59-L63 HydrophobicContact CD1-CD1 4.11Å; I59-L63 HydrophobicContact CG1-CD1 4.39Å; I59-L63 VanDerWaalsContact O-CG 3.32Å; I59-L63 WeakPolarHBondContact O-CG 3.31Å; I59-L63 PolarHBondContact O-N 3.31Å; I59-K105 HydrophobicContact CD1-CB 3.91Å; I59-K105 HydrophobicContact CD1-CG 3.86Å; I59-L131 HydrophobicContact CD1-CD1 3.29Å; I59-L131 HydrophobicContact CG1-CD1 3.65Å; I59-L131 HydrophobicContact CG2-CD1 4.33Å; I59-N138 HydrophobicContact CG2-CB 3.76Å
60D91.7Very high92.3Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-61.8-45.1-172.4-66.9-23.4000111.9L27 T56 C57 F62 L63 M64 K105 Y279L27-D60 HydrophobicContact CB-CB 4.2Å; L27-D60 HydrophobicContact CD1-CB 4.11Å; L27-D60 VanDerWaalsContact CD1-O 3.27Å; L27-D60 WeakPolarHBondContact CD1-O 3.16Å; T56-D60 WeakPolarHBondContact CB-OD2 3.21Å; T56-D60 PolarHBondContact O-N 3.26Å; T56-D60 PolarHBondContact OG1-OD2 3Å; C57-D60 PolarHBondContact O-N 3.29Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.03Å; D60-L63 PolarHBondContact O-N 2.88Å; D60-M64 PolarHBondContact O-N 3.07Å; D60-K105 WeakPolarHBondContact OD1-CE 3.48Å; D60-K105 IonicContact OD1-NZ 3.09Å; D60-Y279 HydrophobicContact CB-CE1 3.74Å; D60-Y279 WeakPolarHBondContact CB-OH 3.3Å
61G90.2Very high92.5Very high3 Ų316.5 Ų16.53%0.0318%0.077CC..Hα-helixtrans-60.6-42.2177.500000112.6I59 M64 L65I59-G61 PolarHBondContact O-N 2.65Å; G61-M64 PolarHBondContact O-N 3.39Å; G61-L65 WeakPolarHBondContact O-CD1 3.41Å; G61-L65 WeakPolarHBondContact O-CG 3.26Å; G61-L65 PolarHBondContact O-N 3.3Å
62F91.4Very high92.5Very high4 Ų418.7 Ų18.72%0.0189%0.087CC..Hα-helixtrans-66.5-43.9177.8174.3-98.8000112.6I59 D60 M64 L65 L66 W108 F139 L143I59-F62 PolarHBondContact O-N 3.28Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.03Å; F62-M64 VanDerWaalsContact C-N 3.27Å; F62-M64 PolarHBondContact O-N 2.86Å; F62-L65 WeakPolarHBondContact O-CB 3.32Å; F62-L65 PolarHBondContact O-N 3.09Å; F62-L66 HydrophobicContact CE1-CB 4.36Å; F62-L66 HydrophobicContact CE1-CD2 4.04Å; F62-L66 HydrophobicContact CZ-CB 4.35Å; F62-L66 HydrophobicContact CZ-CD2 4.26Å; F62-L66 WeakPolarHBondContact O-CB 3.39Å; F62-L66 PolarHBondContact O-N 3.48Å; F62-W108 HydrophobicContact CD1-CH2 4.26Å; F62-W108 HydrophobicContact CD1-CZ2 4.17Å; F62-W108 HydrophobicContact CE1-CE3 4.37Å; F62-W108 AromaticContact CE1-CH2 3.33Å; F62-W108 HydrophobicContact CE1-CH2 3.33Å; F62-W108 AromaticContact CE1-CZ2 3.63Å; F62-W108 HydrophobicContact CE1-CZ2 3.63Å; F62-W108 AromaticContact CE1-CZ3 3.73Å; F62-W108 HydrophobicContact CE1-CZ3 3.73Å; F62-W108 AromaticContact CZ-CH2 3.94Å; F62-W108 HydrophobicContact CZ-CH2 3.94Å; F62-W108 HydrophobicContact CZ-CZ2 4.42Å; F62-F139 HydrophobicContact CB-CD1 3.73Å; F62-F139 HydrophobicContact CB-CD2 4.29Å; F62-F139 HydrophobicContact CB-CE1 3.57Å; F62-F139 HydrophobicContact CB-CE2 4.27Å; F62-F139 HydrophobicContact CB-CG 3.98Å; F62-F139 HydrophobicContact CB-CZ 3.79Å; F62-F139 HydrophobicContact CD1-CB 3.84Å; F62-F139 HydrophobicContact CD1-CD2 4.38Å; F62-F139 HydrophobicContact CD1-CG 4.08Å; F62-F139 HydrophobicContact CD2-CB 4.35Å; F62-F139 HydrophobicContact CD2-CD1 4.37Å; F62-F139 AromaticContact CD2-CD2 3.37Å; F62-F139 HydrophobicContact CD2-CD2 3.37Å; F62-F139 HydrophobicContact CD2-CE1 4.3Å; F62-F139 AromaticContact CD2-CE2 3.42Å; F62-F139 HydrophobicContact CD2-CE2 3.42Å; F62-F139 VanDerWaalsContact CD2-CE2 3.42Å; F62-F139 AromaticContact CD2-CG 3.83Å; F62-F139 HydrophobicContact CD2-CG 3.83Å; F62-F139 AromaticContact CD2-CZ 3.79Å; F62-F139 HydrophobicContact CD2-CZ 3.79Å; F62-F139 HydrophobicContact CE1-CB 4.15Å; F62-F139 AromaticContact CE2-CD2 3.74Å; F62-F139 HydrophobicContact CE2-CD2 3.74Å; F62-F139 HydrophobicContact CE2-CE2 4.04Å; F62-F139 HydrophobicContact CE2-CG 4.38Å; F62-F139 HydrophobicContact CG-CB 3.95Å; F62-F139 AromaticContact CG-CD1 3.96Å; F62-F139 HydrophobicContact CG-CD1 3.96Å; F62-F139 AromaticContact CG-CD2 3.74Å; F62-F139 HydrophobicContact CG-CD2 3.74Å; F62-F139 HydrophobicContact CG-CE1 4.09Å; F62-F139 AromaticContact CG-CE2 4Å; F62-F139 HydrophobicContact CG-CE2 4Å; F62-F139 AromaticContact CG-CG 3.65Å; F62-F139 HydrophobicContact CG-CG 3.65Å; F62-F139 HydrophobicContact CG-CZ 4.04Å; F62-F139 HydrophobicContact CZ-CD2 4.39Å; F62-L143 HydrophobicContact CE2-CD1 3.94Å; F62-L143 HydrophobicContact CZ-CD1 4.19Å; F62-L143 HydrophobicContact CZ-CD2 4.47Å
63L94.9Very high92.4Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-62.7-37.7178.2-66.7170.2000111.1L27 I59 D60 Y67 F92 V104 K105 W108L27-L63 HydrophobicContact CD1-CB 3.85Å; I59-L63 HydrophobicContact CB-CD1 4.44Å; I59-L63 HydrophobicContact CD1-CD1 4.11Å; I59-L63 HydrophobicContact CG1-CD1 4.39Å; I59-L63 VanDerWaalsContact O-CG 3.32Å; I59-L63 WeakPolarHBondContact O-CG 3.31Å; I59-L63 PolarHBondContact O-N 3.31Å; D60-L63 PolarHBondContact O-N 2.88Å; L63-Y67 VanDerWaalsContact O-CB 3.25Å; L63-Y67 WeakPolarHBondContact O-CB 3.32Å; L63-Y67 PolarHBondContact O-N 2.97Å; L63-F92 HydrophobicContact CB-CE2 4.39Å; L63-F92 HydrophobicContact CD2-CE2 3.84Å; L63-F92 WeakPolarHBondContact O-CZ 3.5Å; L63-V104 HydrophobicContact CD1-CG1 4.13Å; L63-V104 HydrophobicContact CD2-CG1 4.42Å; L63-K105 HydrophobicContact CD1-CG 4.11Å; L63-W108 HydrophobicContact CD2-CB 4.09Å; L63-W108 HydrophobicContact CD2-CD2 4.05Å; L63-W108 HydrophobicContact CD2-CE3 3.94Å; L63-W108 HydrophobicContact CD2-CG 4.1Å
64M94Very high92.3Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-63.6-47.8171.6-76.1-50.6-52.100112.7I8 V26 L27 D60 G61 F62 L66 Y67 V68 M96 F270 Y279I8-M64 HydrophobicContact CD1-CE 4.45Å; V26-M64 HydrophobicContact CB-CE 4.4Å; V26-M64 HydrophobicContact CB-SD 4.06Å; V26-M64 HydrophobicContact CG1-CE 3.57Å; V26-M64 HydrophobicContact CG1-SD 3.33Å; V26-M64 WeakPolarHBondContact CG1-SD 3.45Å; L27-M64 HydrophobicContact CD1-CG 3.8Å; L27-M64 HydrophobicContact CD1-SD 4.02Å; L27-M64 HydrophobicContact CG-CG 4.3Å; L27-M64 HydrophobicContact CG-SD 4.06Å; D60-M64 PolarHBondContact O-N 3.07Å; G61-M64 PolarHBondContact O-N 3.39Å; F62-M64 VanDerWaalsContact C-N 3.27Å; F62-M64 PolarHBondContact O-N 2.86Å; M64-L66 PolarHBondContact O-N 3.44Å; M64-Y67 HydrophobicContact CE-CD1 4.31Å; M64-Y67 PolarHBondContact O-N 3.06Å; M64-V68 WeakPolarHBondContact O-CG2 3.29Å; M64-V68 PolarHBondContact O-N 2.95Å; M64-M96 HydrophobicContact CE-CE 4.38Å; M64-M96 HydrophobicContact SD-CE 3.53Å; M64-M96 VanDerWaalsContact SD-CE 3.53Å; M64-F270 HydrophobicContact CB-CE1 3.88Å; M64-F270 HydrophobicContact CB-CZ 4.29Å; M64-F270 HydrophobicContact CE-CZ 4.18Å; M64-Y279 HydrophobicContact CB-CD1 4.45Å; M64-Y279 HydrophobicContact CB-CG 4.43Å; M64-Y279 HydrophobicContact CG-CD1 4.08Å; M64-Y279 HydrophobicContact CG-CD2 3.94Å; M64-Y279 HydrophobicContact CG-CE1 4.24Å; M64-Y279 HydrophobicContact CG-CE2 4.09Å; M64-Y279 HydrophobicContact CG-CG 3.95Å
65L93.8Very high92.3Very high3 Ų322.8 Ų22.82%0.01612%0.116CC..Hα-helixtrans-55.2-51.5175.9-84.3158.4000111.4G61 F62 Y67 V68 I69 T257 A268 F270 V303G61-L65 WeakPolarHBondContact O-CD1 3.41Å; G61-L65 WeakPolarHBondContact O-CG 3.26Å; G61-L65 PolarHBondContact O-N 3.3Å; F62-L65 WeakPolarHBondContact O-CB 3.32Å; F62-L65 PolarHBondContact O-N 3.09Å; L65-Y67 VanDerWaalsContact C-N 3.34Å; L65-Y67 PolarHBondContact O-N 3.18Å; L65-V68 PolarHBondContact O-N 3.3Å; L65-I69 WeakPolarHBondContact O-CB 3.13Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.34Å; L65-I69 PolarHBondContact O-N 3.15Å; L65-T257 HydrophobicContact CD1-CG2 3.8Å; L65-A268 HydrophobicContact CD1-CB 3.89Å; L65-A268 HydrophobicContact CG-CB 4.22Å; L65-F270 HydrophobicContact CD2-CB 3.58Å; L65-F270 HydrophobicContact CD2-CD1 4.2Å; L65-F270 HydrophobicContact CD2-CG 4.32Å; L65-F270 HydrophobicContact CG-CB 4.44Å; L65-F270 HydrophobicContact CG-CD1 4.17Å; L65-V303 HydrophobicContact CD1-CG2 4.27Å; L65-V303 HydrophobicContact CD2-CG2 4.48Å
66L95.1Very high92.6Very high1 Ų120.9 Ų20.91%0.00511%0.105CC..Hα-helixtrans-59.4-46.5179.8179.560.7000111.2F62 M64 V68 I69 L70 L80 F84 F92 W108 F224F62-L66 HydrophobicContact CE1-CB 4.36Å; F62-L66 HydrophobicContact CE1-CD2 4.04Å; F62-L66 HydrophobicContact CZ-CB 4.35Å; F62-L66 HydrophobicContact CZ-CD2 4.26Å; F62-L66 WeakPolarHBondContact O-CB 3.39Å; F62-L66 PolarHBondContact O-N 3.48Å; M64-L66 PolarHBondContact O-N 3.44Å; L66-V68 VanDerWaalsContact C-N 3.32Å; L66-V68 PolarHBondContact O-N 3.5Å; L66-I69 PolarHBondContact O-N 2.87Å; L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD1-CG 4.05Å; L66-L70 HydrophobicContact CG-CD1 4.05Å; L66-L70 HydrophobicContact CG-CG 4.46Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 VanDerWaalsContact O-CG 3.22Å; L66-L70 WeakPolarHBondContact O-CG 3.25Å; L66-L70 PolarHBondContact O-N 3.29Å; L66-L80 HydrophobicContact CD1-CD2 3.67Å; L66-F84 HydrophobicContact CD2-CE2 4.44Å; L66-F92 HydrophobicContact CB-CZ 4.29Å; L66-F92 HydrophobicContact CD2-CE1 4.11Å; L66-F92 HydrophobicContact CD2-CZ 4.11Å; L66-F92 HydrophobicContact CG-CE1 3.97Å; L66-F92 HydrophobicContact CG-CZ 4.15Å; L66-W108 HydrophobicContact CD2-CZ3 4.27Å; L66-F224 HydrophobicContact CD1-CE1 4.08Å; L66-F224 HydrophobicContact CD1-CZ 4.13Å
67Y95.8Very high92.8Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-58.9-42.7177.5174.4-106.8000112.6L4 F5 L63 M64 L65 N71 F92 L93 M96 D97L4-Y67 HydrophobicContact CD2-CE1 3.95Å; L4-Y67 HydrophobicContact CG-CE1 4.19Å; F5-Y67 HydrophobicContact CB-CE1 4.09Å; F5-Y67 VanDerWaalsContact CB-OH 3.3Å; F5-Y67 WeakPolarHBondContact CB-OH 3.23Å; F5-Y67 HydrophobicContact CD2-CE1 4.29Å; F5-Y67 PolarHBondContact N-OH 3.38Å; L63-Y67 VanDerWaalsContact O-CB 3.25Å; L63-Y67 WeakPolarHBondContact O-CB 3.32Å; L63-Y67 PolarHBondContact O-N 2.97Å; M64-Y67 HydrophobicContact CE-CD1 4.31Å; M64-Y67 PolarHBondContact O-N 3.06Å; L65-Y67 VanDerWaalsContact C-N 3.34Å; L65-Y67 PolarHBondContact O-N 3.18Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.36Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.31Å; Y67-N71 WeakPolarHBondContact O-CB 3.43Å; Y67-N71 PolarHBondContact O-N 3.45Å; Y67-N71 VanDerWaalsContact O-N 3.15Å; Y67-N71 PolarHBondContact O-ND2 3.05Å; Y67-F92 HydrophobicContact CD2-CE1 4.43Å; Y67-L93 HydrophobicContact CD2-CD2 3.93Å; Y67-L93 HydrophobicContact CE2-CD2 4.28Å; Y67-M96 HydrophobicContact CD1-CE 3.82Å; Y67-M96 HydrophobicContact CD2-CB 3.39Å; Y67-M96 HydrophobicContact CD2-CE 4.11Å; Y67-M96 HydrophobicContact CD2-CG 3.62Å; Y67-M96 HydrophobicContact CE1-CE 4.45Å; Y67-M96 HydrophobicContact CE2-CB 3.34Å; Y67-M96 HydrophobicContact CE2-CG 4.13Å; Y67-M96 HydrophobicContact CG-CB 4.12Å; Y67-M96 HydrophobicContact CG-CE 3.6Å; Y67-M96 HydrophobicContact CG-CG 4.08Å; Y67-D97 PolarHBondContact OH-OD1 3.25Å
68V94.2Very high93Very high0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-68.9-46.8178.7171.30000111.3M64 L65 L66 L70 N71 E72 F270 Q271 I272M64-V68 WeakPolarHBondContact O-CG2 3.29Å; M64-V68 PolarHBondContact O-N 2.95Å; L65-V68 PolarHBondContact O-N 3.3Å; L66-V68 VanDerWaalsContact C-N 3.32Å; L66-V68 PolarHBondContact O-N 3.5Å; V68-L70 VanDerWaalsContact C-N 3.28Å; V68-L70 PolarHBondContact O-N 2.85Å; V68-N71 PolarHBondContact O-N 2.79Å; V68-N71 VanDerWaalsContact O-N 3.13Å; V68-E72 HydrophobicContact CG1-CG 4.21Å; V68-E72 PolarHBondContact O-N 3.27Å; V68-F270 HydrophobicContact CB-CD2 4.29Å; V68-F270 HydrophobicContact CG1-CD2 4.1Å; V68-F270 HydrophobicContact CG2-CD2 3.84Å; V68-F270 HydrophobicContact CG2-CE2 3.67Å; V68-F270 HydrophobicContact CG2-CZ 4.28Å; V68-Q271 WeakPolarHBondContact CG1-O 3.17Å; V68-I272 HydrophobicContact CG1-CB 4.3Å
69I94.1Very high93.3Very high3 Ų332.7 Ų32.72%0.01515%0.153CC..Hα-helixtrans-55.7-45.1177.7-72.6167000110.9L65 L66 N73 F76 F224 E254 V303 I305L65-I69 WeakPolarHBondContact O-CB 3.13Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.34Å; L65-I69 PolarHBondContact O-N 3.15Å; L66-I69 PolarHBondContact O-N 2.87Å; I69-N73 WeakPolarHBondContact O-CB 3.44Å; I69-N73 PolarHBondContact O-N 3.45Å; I69-N73 PolarHBondContact O-ND2 2.88Å; I69-F76 HydrophobicContact CG2-CD2 3.78Å; I69-F76 HydrophobicContact CG2-CE2 4.23Å; I69-F224 HydrophobicContact CD1-CG 4.49Å; I69-F224 HydrophobicContact CG2-CD1 4.21Å; I69-E254 HydrophobicContact CG1-CG 4.09Å; I69-V303 HydrophobicContact CD1-CG1 3.65Å; I69-I305 HydrophobicContact CD1-CG2 4.13Å; I69-I305 HydrophobicContact CG1-CG2 3.92Å; I69-I305 HydrophobicContact CG2-CG2 3.93Å
70L95Very high93.4Very high6 Ų632.8 Ų32.83%0.03115%0.153CC..Hα-helixtrans-69.2-31.2-179.7-70.2-178.4000113.4L66 V68 F76 P77 L80 V89 F92 L93L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD1-CG 4.05Å; L66-L70 HydrophobicContact CG-CD1 4.05Å; L66-L70 HydrophobicContact CG-CG 4.46Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 VanDerWaalsContact O-CG 3.22Å; L66-L70 WeakPolarHBondContact O-CG 3.25Å; L66-L70 PolarHBondContact O-N 3.29Å; V68-L70 VanDerWaalsContact C-N 3.28Å; V68-L70 PolarHBondContact O-N 2.85Å; L70-F76 HydrophobicContact CD2-CB 4.07Å; L70-P77 HydrophobicContact CB-CG 4.24Å; L70-P77 HydrophobicContact CD2-CG 4.18Å; L70-P77 WeakPolarHBondContact O-CG 3.39Å; L70-L80 HydrophobicContact CD1-CD2 4.22Å; L70-L80 HydrophobicContact CD2-CB 4.33Å; L70-L80 HydrophobicContact CD2-CD2 3.83Å; L70-L80 HydrophobicContact CG-CD2 4.43Å; L70-V89 HydrophobicContact CD1-CG1 4.26Å; L70-F92 HydrophobicContact CD1-CD1 4.16Å; L70-F92 HydrophobicContact CD1-CE1 4.09Å; L70-L93 HydrophobicContact CB-CD2 3.98Å; L70-L93 HydrophobicContact CD1-CD2 4.12Å
71N94Very high93.5Very high49 Ų4933.8 Ų33.826%0.26216%0.16SC..Hα-helixtrans-86.6-28.9179.3-84.6-79.4000114F5 Y67 V68 N73F5-N71 HydrophobicContact CB-CB 4.39Å; F5-N71 HydrophobicContact CD1-CB 3.78Å; F5-N71 HydrophobicContact CD2-CB 3.54Å; F5-N71 HydrophobicContact CE1-CB 3.75Å; F5-N71 HydrophobicContact CE2-CB 3.53Å; F5-N71 HydrophobicContact CG-CB 3.66Å; F5-N71 HydrophobicContact CZ-CB 3.62Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.36Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.31Å; Y67-N71 WeakPolarHBondContact O-CB 3.43Å; Y67-N71 PolarHBondContact O-N 3.45Å; Y67-N71 VanDerWaalsContact O-N 3.15Å; Y67-N71 PolarHBondContact O-ND2 3.05Å; V68-N71 PolarHBondContact O-N 2.79Å; V68-N71 VanDerWaalsContact O-N 3.13Å; N71-N73 VanDerWaalsContact C-N 3.27Å
72E91.7Very high93.5Very high52 Ų5240.5 Ų40.524%0.24320%0.195CC..Hα-helixtrans-74.9-18.1174.3-75.7-67.3168.200112.6F5 K9 V68 I272 G273F5-E72 HydrophobicContact CE2-CG 4.22Å; F5-E72 HydrophobicContact CZ-CG 3.78Å; F5-E72 WeakPolarHBondContact CZ-OE1 3.32Å; K9-E72 WeakPolarHBondContact CE-OE1 3.39Å; K9-E72 IonicContact NZ-OE1 3.09Å; K9-E72 PolarHBondContact NZ-OE1 2.83Å; K9-E72 IonicContact NZ-OE2 3.66Å; K9-E72 PolarHBondContact NZ-OE2 3.34Å; V68-E72 HydrophobicContact CG1-CG 4.21Å; V68-E72 PolarHBondContact O-N 3.27Å; E72-I272 WeakPolarHBondContact OE1-CA 3.48Å; E72-I272 VanDerWaalsContact OE1-CG1 3.25Å; E72-I272 WeakPolarHBondContact OE1-CG1 3.45Å; E72-G273 PolarHBondContact OE1-N 3.06Å
73N91.9Very high93.4Very high20 Ų2043.9 Ų43.911%0.10721%0.211CC..  trans-127.7104.1-172.4-63.1-84.4000111.8I69 N71 N75 F76 P77I69-N73 WeakPolarHBondContact O-CB 3.44Å; I69-N73 PolarHBondContact O-N 3.45Å; I69-N73 PolarHBondContact O-ND2 2.88Å; N71-N73 VanDerWaalsContact C-N 3.27Å; N73-N75 VanDerWaalsContact C-N 3.27Å; N73-N75 PolarHBondContact O-N 2.73Å; N73-N75 VanDerWaalsContact O-N 3.13Å; N73-F76 HydrophobicContact CB-CB 3.96Å; N73-F76 HydrophobicContact CB-CD1 4.04Å; N73-F76 HydrophobicContact CB-CD2 3.28Å; N73-F76 HydrophobicContact CB-CE1 4.37Å; N73-F76 HydrophobicContact CB-CE2 3.66Å; N73-F76 HydrophobicContact CB-CG 3.49Å; N73-F76 VanDerWaalsContact CB-CG 3.49Å; N73-F76 HydrophobicContact CB-CZ 4.2Å; N73-F76 VanDerWaalsContact CG-CE2 3.42Å; N73-F76 PolarHBondContact O-N 2.84Å; N73-F76 VanDerWaalsContact O-N 3.17Å; N73-P77 WeakPolarHBondContact O-CD 3.16Å
74E90.3Very high93.2Very high185 Ų18544.6 Ų44.686%0.86421%0.214SC*.THydrogen-bonded Turntrans-57.4-33.3-172.7-63.7-177.3172.800114.7
75N92.7Very high93.1Very high94 Ų9446.1 Ų46.150%0.50323%0.229SC..THydrogen-bonded Turntrans-86.1-23.1-177.2-69.6-43000113.8N73 R78 E79N73-N75 VanDerWaalsContact C-N 3.27Å; N73-N75 PolarHBondContact O-N 2.73Å; N73-N75 VanDerWaalsContact O-N 3.13Å; N75-R78 WeakPolarHBondContact O-CB 3.46Å; N75-R78 PolarHBondContact O-N 3.33Å; N75-R78 VanDerWaalsContact O-N 3.15Å; N75-E79 PolarHBondContact O-N 3.33Å; N75-E79 VanDerWaalsContact O-N 3.17Å
76F94.9Very high93.2Very high2 Ų254.5 Ų54.51%0.00926%0.261CS..Hα-helixtrans-65-36.9-172.1-72.92000114.3I69 L70 N73 R78 E79 L80 P223 I305 R306I69-F76 HydrophobicContact CG2-CD2 3.78Å; I69-F76 HydrophobicContact CG2-CE2 4.23Å; L70-F76 HydrophobicContact CD2-CB 4.07Å; N73-F76 HydrophobicContact CB-CB 3.96Å; N73-F76 HydrophobicContact CB-CD1 4.04Å; N73-F76 HydrophobicContact CB-CD2 3.28Å; N73-F76 HydrophobicContact CB-CE1 4.37Å; N73-F76 HydrophobicContact CB-CE2 3.66Å; N73-F76 HydrophobicContact CB-CG 3.49Å; N73-F76 VanDerWaalsContact CB-CG 3.49Å; N73-F76 HydrophobicContact CB-CZ 4.2Å; N73-F76 VanDerWaalsContact CG-CE2 3.42Å; N73-F76 PolarHBondContact O-N 2.84Å; N73-F76 VanDerWaalsContact O-N 3.17Å; F76-R78 PolarHBondContact O-N 2.87Å; F76-E79 PolarHBondContact O-N 2.92Å; F76-L80 VanDerWaalsContact O-CB 3.26Å; F76-L80 WeakPolarHBondContact O-CB 3.34Å; F76-L80 PolarHBondContact O-N 2.78Å; F76-P223 HydrophobicContact CB-CB 4.22Å; F76-P223 HydrophobicContact CD1-CB 3.57Å; F76-P223 HydrophobicContact CD2-CB 3.85Å; F76-P223 HydrophobicContact CE1-CB 3.79Å; F76-P223 HydrophobicContact CE2-CB 4.07Å; F76-P223 VanDerWaalsContact CE2-O 3.31Å; F76-P223 WeakPolarHBondContact CE2-O 3.44Å; F76-P223 HydrophobicContact CG-CB 3.61Å; F76-P223 HydrophobicContact CZ-CB 4.04Å; F76-P223 VanDerWaalsContact CZ-O 3.3Å; F76-P223 WeakPolarHBondContact CZ-O 3.4Å; F76-I305 HydrophobicContact CE2-CB 3.99Å; F76-I305 HydrophobicContact CE2-CG2 4.24Å; F76-I305 HydrophobicContact CZ-CB 4.45Å; F76-R306 HydrophobicContact CZ-CB 4.45Å
77P95.3Very high93.2Very high25 Ų2562.5 Ų62.516%0.16230%0.298CS..Hα-helixtrans-55.3-41172.8-27.834.4000112.8L70 N73 S81 V89 L93L70-P77 HydrophobicContact CB-CG 4.24Å; L70-P77 HydrophobicContact CD2-CG 4.18Å; L70-P77 WeakPolarHBondContact O-CG 3.39Å; N73-P77 WeakPolarHBondContact O-CD 3.16Å; P77-S81 VanDerWaalsContact O-CB 3.32Å; P77-S81 WeakPolarHBondContact O-CB 3.38Å; P77-S81 PolarHBondContact O-N 3.37Å; P77-S81 PolarHBondContact O-OG 3.38Å; P77-V89 HydrophobicContact CB-CG1 4.08Å; P77-L93 HydrophobicContact CB-CD1 4.41Å; P77-L93 HydrophobicContact CG-CD1 4.41Å
78R94.1Very high93.2Very high193 Ų19363 Ų6373%0.72830%0.3SS*.Hα-helixtrans-68.6-43.8179.4-165.3-174.293.2-172.55.7111.7N75 F76 S81N75-R78 WeakPolarHBondContact O-CB 3.46Å; N75-R78 PolarHBondContact O-N 3.33Å; N75-R78 VanDerWaalsContact O-N 3.15Å; F76-R78 PolarHBondContact O-N 2.87Å; R78-S81 WeakPolarHBondContact O-CB 3.39Å
79E94Very high93.3Very high47 Ų4763 Ų6322%0.2230%0.301CS..Hα-helixtrans-66.4-47.3178.5-68.1-178.3-126.200111.4N75 F76 S81 L82 R306N75-E79 PolarHBondContact O-N 3.33Å; N75-E79 VanDerWaalsContact O-N 3.17Å; F76-E79 PolarHBondContact O-N 2.92Å; E79-S81 PolarHBondContact O-N 3.39Å; E79-L82 VanDerWaalsContact O-CB 3.29Å; E79-L82 WeakPolarHBondContact O-CB 3.46Å; E79-L82 PolarHBondContact O-N 2.99Å; E79-R306 IonicContact OE1-NH2 2.91Å; E79-R306 PolarHBondContact OE1-NH2 3.22Å; E79-R306 IonicContact OE2-CZ 3.73Å; E79-R306 VanDerWaalsContact OE2-CZ 3.24Å; E79-R306 IonicContact OE2-NH1 3.69Å; E79-R306 PolarHBondContact OE2-NH1 2.91Å; E79-R306 IonicContact OE2-NH2 2.7Å; E79-R306 PolarHBondContact OE2-NH2 2.71Å
80L92.4Very high93.4Very high1 Ų166.6 Ų66.61%0.00532%0.32CS..Hα-helixtrans-66.9-27.9-179.6-164.466.8000112.2L66 L70 F76 L82 H83 F84 L146 P223 F224L66-L80 HydrophobicContact CD1-CD2 3.67Å; L70-L80 HydrophobicContact CD1-CD2 4.22Å; L70-L80 HydrophobicContact CD2-CB 4.33Å; L70-L80 HydrophobicContact CD2-CD2 3.83Å; L70-L80 HydrophobicContact CG-CD2 4.43Å; F76-L80 VanDerWaalsContact O-CB 3.26Å; F76-L80 WeakPolarHBondContact O-CB 3.34Å; F76-L80 PolarHBondContact O-N 2.78Å; L80-L82 PolarHBondContact O-N 2.81Å; L80-H83 PolarHBondContact O-N 2.8Å; L80-F84 HydrophobicContact CD1-CD2 3.98Å; L80-F84 HydrophobicContact CD1-CE2 4.09Å; L80-F84 HydrophobicContact CD2-CD2 3.59Å; L80-F84 HydrophobicContact CD2-CE2 3.86Å; L80-F84 HydrophobicContact CG-CD2 3.61Å; L80-F84 HydrophobicContact CG-CE2 4.12Å; L80-F84 HydrophobicContact CG-CG 4.25Å; L80-F84 PolarHBondContact O-N 2.95Å; L80-L146 HydrophobicContact CD1-CD1 4.45Å; L80-L146 HydrophobicContact CD1-CD2 3.84Å; L80-P223 HydrophobicContact CD1-CG 4.36Å; L80-F224 HydrophobicContact CD1-CE1 3.84Å; L80-F224 HydrophobicContact CD1-CZ 4.41Å; L80-F224 HydrophobicContact CD2-CE1 4.12Å
81S93.6Very high93.5Very high21 Ų2168.6 Ų68.615%0.14733%0.334CS..Hα-helixtrans-59.3-24.2172.7-67.80000113.3P77 R78 E79 H83 G85P77-S81 VanDerWaalsContact O-CB 3.32Å; P77-S81 WeakPolarHBondContact O-CB 3.38Å; P77-S81 PolarHBondContact O-N 3.37Å; P77-S81 PolarHBondContact O-OG 3.38Å; R78-S81 WeakPolarHBondContact O-CB 3.39Å; E79-S81 PolarHBondContact O-N 3.39Å; S81-H83 VanDerWaalsContact C-N 3.26Å; S81-H83 PolarHBondContact O-N 2.95Å; S81-G85 CarbonylContact O-C 3.5Å; S81-G85 WeakPolarHBondContact O-CA 3.39Å; S81-G85 PolarHBondContact O-N 3.32Å
82L90.6Very high93.7Very high145 Ų14566.3 Ų66.376%0.75932%0.322SS*.Hα-helixtrans-69.4-26.9174.5-59.5174.8000112.2E79 L80E79-L82 VanDerWaalsContact O-CB 3.29Å; E79-L82 WeakPolarHBondContact O-CB 3.46Å; E79-L82 PolarHBondContact O-N 2.99Å; L80-L82 PolarHBondContact O-N 2.81Å
83H88.4Confident93.9Very high75 Ų7565.2 Ų65.235%0.34732%0.317SS..Hα-helixtrans-100.7-42.1-177.8-63.7-82.3000112.5L80 S81 L146L80-H83 PolarHBondContact O-N 2.8Å; S81-H83 VanDerWaalsContact C-N 3.26Å; S81-H83 PolarHBondContact O-N 2.95Å; H83-L146 HydrophobicContact CB-CD1 4.23Å; H83-L146 WeakPolarHBondContact CD2-CD1 3.34Å
84F90.3Very high94.1Very high14 Ų1471.6 Ų71.66%0.06134%0.341CS..Hα-helixtrans-96.7-10.1-177.7-73.8-17.3000114.4L66 L80 F88 V89 W108 K112 L143L66-F84 HydrophobicContact CD2-CE2 4.44Å; L80-F84 HydrophobicContact CD1-CD2 3.98Å; L80-F84 HydrophobicContact CD1-CE2 4.09Å; L80-F84 HydrophobicContact CD2-CD2 3.59Å; L80-F84 HydrophobicContact CD2-CE2 3.86Å; L80-F84 HydrophobicContact CG-CD2 3.61Å; L80-F84 HydrophobicContact CG-CE2 4.12Å; L80-F84 HydrophobicContact CG-CG 4.25Å; L80-F84 PolarHBondContact O-N 2.95Å; F84-F88 HydrophobicContact CB-CD1 3.78Å; F84-F88 HydrophobicContact CB-CE1 4.33Å; F84-F88 HydrophobicContact CD2-CD1 4.28Å; F84-F88 AromaticContact CD2-CE1 4Å; F84-F88 HydrophobicContact CD2-CE1 4Å; F84-F88 HydrophobicContact CG-CD1 4.34Å; F84-F88 HydrophobicContact CG-CE1 4.42Å; F84-F88 WeakPolarHBondContact O-CB 3.14Å; F84-V89 HydrophobicContact CB-CG2 4.22Å; F84-W108 HydrophobicContact CE2-CH2 4.4Å; F84-W108 HydrophobicContact CE2-CZ3 4.26Å; F84-W108 HydrophobicContact CZ-CH2 4.05Å; F84-W108 HydrophobicContact CZ-CZ3 4.3Å; F84-K112 HydrophobicContact CD1-CD 4.45Å; F84-K112 PolarHBondContact O-NZ 3.28Å; F84-L143 HydrophobicContact CE1-CD2 4.22Å; F84-L143 HydrophobicContact CE2-CD2 4.22Å; F84-L143 HydrophobicContact CZ-CD2 3.44Å; F84-L143 VanDerWaalsContact CZ-CD2 3.44Å
85G93.6Very high94.4Very high32 Ų3263.7 Ų63.733%0.3330%0.304SS..  trans84.4136.2-172.400000111.4S81 E87 F88 V89S81-G85 CarbonylContact O-C 3.5Å; S81-G85 WeakPolarHBondContact O-CA 3.39Å; S81-G85 PolarHBondContact O-N 3.32Å; G85-E87 VanDerWaalsContact C-N 3.35Å; G85-E87 PolarHBondContact O-N 3.49Å; G85-F88 PolarHBondContact O-N 3.06Å; G85-V89 PolarHBondContact O-N 2.89Å
86R95.2Very high94.5Very high179 Ų17959.2 Ų59.268%0.67528%0.281SS*.Hα-helixtrans-58.8-44.3-178.9-178.9-179.2174.2-162.84.2112.8F88 V89 D90R86-F88 VanDerWaalsContact C-N 3.27Å; R86-F88 PolarHBondContact O-N 3.17Å; R86-V89 PolarHBondContact O-N 3.34Å; R86-D90 WeakPolarHBondContact CG-OD2 3.42Å; R86-D90 IonicContact CZ-OD2 2.85Å; R86-D90 IonicContact NE-OD2 3.56Å; R86-D90 PolarHBondContact NE-OD2 2.81Å; R86-D90 VanDerWaalsContact NE-OD2 3.09Å; R86-D90 IonicContact NH2-OD2 3.24Å; R86-D90 WeakPolarHBondContact O-CB 3.1Å; R86-D90 PolarHBondContact O-N 3.04Å
87E95.4Very high94.5Very high170 Ų17060.9 Ų60.979%0.79429%0.289SS*.Hα-helixtrans-59.6-39.8-178.7-65.8-176.717400111.9G85 C91G85-E87 VanDerWaalsContact C-N 3.35Å; G85-E87 PolarHBondContact O-N 3.49Å; E87-C91 WeakPolarHBondContact O-CB 3.49Å; E87-C91 PolarHBondContact O-N 3.39Å
88F95.9Very high94.4Very high10 Ų1061.8 Ų61.84%0.04429%0.294CS..Hα-helixtrans-63.1-51.1175.9171.9-89.6000111.2F84 G85 R86 C91 F92 L107 W108 D111 K112F84-F88 HydrophobicContact CB-CD1 3.78Å; F84-F88 HydrophobicContact CB-CE1 4.33Å; F84-F88 HydrophobicContact CD2-CD1 4.28Å; F84-F88 AromaticContact CD2-CE1 4Å; F84-F88 HydrophobicContact CD2-CE1 4Å; F84-F88 HydrophobicContact CG-CD1 4.34Å; F84-F88 HydrophobicContact CG-CE1 4.42Å; F84-F88 WeakPolarHBondContact O-CB 3.14Å; G85-F88 PolarHBondContact O-N 3.06Å; R86-F88 VanDerWaalsContact C-N 3.27Å; R86-F88 PolarHBondContact O-N 3.17Å; F88-C91 PolarHBondContact O-N 3.37Å; F88-F92 HydrophobicContact CE1-CB 4.37Å; F88-F92 HydrophobicContact CZ-CB 4.44Å; F88-F92 WeakPolarHBondContact O-CB 3.38Å; F88-F92 PolarHBondContact O-N 3.49Å; F88-L107 HydrophobicContact CD2-CD1 4.3Å; F88-L107 HydrophobicContact CD2-CD2 4.11Å; F88-L107 HydrophobicContact CD2-CG 3.95Å; F88-L107 HydrophobicContact CE2-CD2 4.06Å; F88-L107 HydrophobicContact CE2-CG 3.86Å; F88-W108 HydrophobicContact CE1-CZ3 4.42Å; F88-W108 HydrophobicContact CE2-CE3 4.28Å; F88-W108 AromaticContact CZ-CE3 3.66Å; F88-W108 HydrophobicContact CZ-CE3 3.66Å; F88-W108 AromaticContact CZ-CZ3 3.89Å; F88-W108 HydrophobicContact CZ-CZ3 3.89Å; F88-D111 HydrophobicContact CD2-CB 4.02Å; F88-D111 WeakPolarHBondContact CD2-OD2 3.22Å; F88-D111 HydrophobicContact CE2-CB 4.36Å; F88-K112 HydrophobicContact CE2-CD 4.46Å; F88-K112 HydrophobicContact CE2-CG 3.96Å; F88-K112 HydrophobicContact CZ-CG 4.2Å
89V96.6Very high94.3Very high1 Ų155.8 Ų55.81%0.00627%0.272CS..Hα-helixtrans-63.4-47.4-176.5176.60000111.1L70 P77 F84 G85 R86 C91 F92 L93L70-V89 HydrophobicContact CD1-CG1 4.26Å; P77-V89 HydrophobicContact CB-CG1 4.08Å; F84-V89 HydrophobicContact CB-CG2 4.22Å; G85-V89 PolarHBondContact O-N 2.89Å; R86-V89 PolarHBondContact O-N 3.34Å; V89-C91 PolarHBondContact O-N 3.46Å; V89-F92 PolarHBondContact O-N 3.38Å; V89-L93 HydrophobicContact CG1-CD1 4.14Å; V89-L93 WeakPolarHBondContact O-CG 3.42Å; V89-L93 PolarHBondContact O-N 3.32Å
90D96.2Very high94.2Very high77 Ų7755.4 Ų55.441%0.41228%0.275SS..Hα-helixtrans-61.7-44.4179.5-71.3-12.7000110.7R86 Y94R86-D90 WeakPolarHBondContact CG-OD2 3.42Å; R86-D90 IonicContact CZ-OD2 2.85Å; R86-D90 IonicContact NE-OD2 3.56Å; R86-D90 PolarHBondContact NE-OD2 2.81Å; R86-D90 VanDerWaalsContact NE-OD2 3.09Å; R86-D90 IonicContact NH2-OD2 3.24Å; R86-D90 WeakPolarHBondContact O-CB 3.1Å; R86-D90 PolarHBondContact O-N 3.04Å; D90-Y94 WeakPolarHBondContact O-CB 3.45Å; D90-Y94 PolarHBondContact O-N 3.33Å; D90-Y94 VanDerWaalsContact O-N 3.09Å
91C97.3Very high94.2Very high49 Ų4956.3 Ų56.333%0.33128%0.279SS..Hα-helixtrans-66.9-42.2177.8-171.80000112.2E87 F88 V89 Y94 L95 L107E87-C91 WeakPolarHBondContact O-CB 3.49Å; E87-C91 PolarHBondContact O-N 3.39Å; F88-C91 PolarHBondContact O-N 3.37Å; V89-C91 PolarHBondContact O-N 3.46Å; C91-Y94 PolarHBondContact O-N 3.31Å; C91-L95 WeakPolarHBondContact O-CB 3.42Å; C91-L95 VanDerWaalsContact O-CG 3.23Å; C91-L95 WeakPolarHBondContact O-CG 3.23Å; C91-L95 PolarHBondContact O-N 3.21Å; C91-L107 HydrophobicContact CB-CD2 4.12Å
92F97.3Very high94.1Very high1 Ų156.6 Ų56.60%0.00428%0.28CS..Hα-helixtrans-58.3-51.7177.5168-103.3000111.6L63 L66 Y67 L70 F88 V89 Y94 L95 M96 V104 L107L63-F92 HydrophobicContact CB-CE2 4.39Å; L63-F92 HydrophobicContact CD2-CE2 3.84Å; L63-F92 WeakPolarHBondContact O-CZ 3.5Å; L66-F92 HydrophobicContact CB-CZ 4.29Å; L66-F92 HydrophobicContact CD2-CE1 4.11Å; L66-F92 HydrophobicContact CD2-CZ 4.11Å; L66-F92 HydrophobicContact CG-CE1 3.97Å; L66-F92 HydrophobicContact CG-CZ 4.15Å; Y67-F92 HydrophobicContact CD2-CE1 4.43Å; L70-F92 HydrophobicContact CD1-CD1 4.16Å; L70-F92 HydrophobicContact CD1-CE1 4.09Å; F88-F92 HydrophobicContact CE1-CB 4.37Å; F88-F92 HydrophobicContact CZ-CB 4.44Å; F88-F92 WeakPolarHBondContact O-CB 3.38Å; F88-F92 PolarHBondContact O-N 3.49Å; V89-F92 PolarHBondContact O-N 3.38Å; F92-Y94 PolarHBondContact O-N 3.42Å; F92-L95 PolarHBondContact O-N 2.97Å; F92-M96 HydrophobicContact CD2-CG 4.34Å; F92-M96 HydrophobicContact CE1-CG 4.48Å; F92-M96 HydrophobicContact CE2-CG 3.93Å; F92-M96 HydrophobicContact CE2-SD 4.39Å; F92-M96 HydrophobicContact CZ-CG 4.02Å; F92-M96 WeakPolarHBondContact O-CG 3.38Å; F92-M96 PolarHBondContact O-N 3.1Å; F92-V104 HydrophobicContact CD2-CG1 3.76Å; F92-V104 HydrophobicContact CE2-CG1 3.64Å; F92-L107 HydrophobicContact CB-CD2 4.09Å
93L96.8Very high94.3Very high29 Ų2951.9 Ų51.915%0.15226%0.257CS..Hα-helixtrans-61.4-45.8179.1-68.6174.9000111.3Y67 L70 P77 V89 L95 M96 D97Y67-L93 HydrophobicContact CD2-CD2 3.93Å; Y67-L93 HydrophobicContact CE2-CD2 4.28Å; L70-L93 HydrophobicContact CB-CD2 3.98Å; L70-L93 HydrophobicContact CD1-CD2 4.12Å; P77-L93 HydrophobicContact CB-CD1 4.41Å; P77-L93 HydrophobicContact CG-CD1 4.41Å; V89-L93 HydrophobicContact CG1-CD1 4.14Å; V89-L93 WeakPolarHBondContact O-CG 3.42Å; V89-L93 PolarHBondContact O-N 3.32Å; L93-L95 PolarHBondContact O-N 2.92Å; L93-M96 PolarHBondContact O-N 3.21Å; L93-D97 PolarHBondContact O-N 3.25Å
94Y96.4Very high94.6Very high154 Ų15448.3 Ų48.360%0.60424%0.24SC*.Hα-helixtrans-57.7-48.8176.6172-99.3000112.4D90 C91 F92 M96 D97 T98D90-Y94 WeakPolarHBondContact O-CB 3.45Å; D90-Y94 PolarHBondContact O-N 3.33Å; D90-Y94 VanDerWaalsContact O-N 3.09Å; C91-Y94 PolarHBondContact O-N 3.31Å; F92-Y94 PolarHBondContact O-N 3.42Å; Y94-M96 VanDerWaalsContact C-N 3.32Å; Y94-M96 PolarHBondContact O-N 2.84Å; Y94-D97 PolarHBondContact O-N 3.01Å; Y94-T98 HydrophobicContact CD2-CG2 4.13Å; Y94-T98 HydrophobicContact CE1-CG2 4.14Å; Y94-T98 HydrophobicContact CE2-CG2 3.66Å; Y94-T98 WeakPolarHBondContact O-CG2 3.41Å; Y94-T98 PolarHBondContact O-N 3.27Å; Y94-T98 PolarHBondContact O-OG1 2.86Å
95L96.1Very high94.8Very high19 Ų1947.6 Ų47.610%0.09924%0.238CC..Hα-helixtrans-66.4-33.7-178-71.5172.6000112.7C91 F92 L93 T98 Y99 S100 T103 V104 L107C91-L95 WeakPolarHBondContact O-CB 3.42Å; C91-L95 VanDerWaalsContact O-CG 3.23Å; C91-L95 WeakPolarHBondContact O-CG 3.23Å; C91-L95 PolarHBondContact O-N 3.21Å; F92-L95 PolarHBondContact O-N 2.97Å; L93-L95 PolarHBondContact O-N 2.92Å; L95-T98 PolarHBondContact O-OG1 3.16Å; L95-Y99 PolarHBondContact O-N 2.99Å; L95-S100 WeakPolarHBondContact O-CB 3.27Å; L95-S100 PolarHBondContact O-N 3.46Å; L95-T103 HydrophobicContact CD1-CG2 3.74Å; L95-T103 HydrophobicContact CD2-CG2 3.86Å; L95-T103 HydrophobicContact CG-CG2 4.47Å; L95-V104 HydrophobicContact CB-CG2 3.46Å; L95-V104 VanDerWaalsContact CB-CG2 3.46Å; L95-L107 HydrophobicContact CD1-CB 4.48Å; L95-L107 HydrophobicContact CD1-CD2 4.1Å
96M95.3Very high94.8Very high0 Ų046.2 Ų46.20%022%0.223CC..Hα-helixtrans-64-45.4172.2-73.3-64.9-73.200110.9L4 L27 M64 Y67 F92 L93 Y94 T98 Y99 F101 V104L4-M96 HydrophobicContact CD2-CE 4.22Å; L4-M96 WeakPolarHBondContact CD2-O 3.43Å; L27-M96 HydrophobicContact CD2-SD 4.27Å; M64-M96 HydrophobicContact CE-CE 4.38Å; M64-M96 HydrophobicContact SD-CE 3.53Å; M64-M96 VanDerWaalsContact SD-CE 3.53Å; Y67-M96 HydrophobicContact CD1-CE 3.82Å; Y67-M96 HydrophobicContact CD2-CB 3.39Å; Y67-M96 HydrophobicContact CD2-CE 4.11Å; Y67-M96 HydrophobicContact CD2-CG 3.62Å; Y67-M96 HydrophobicContact CE1-CE 4.45Å; Y67-M96 HydrophobicContact CE2-CB 3.34Å; Y67-M96 HydrophobicContact CE2-CG 4.13Å; Y67-M96 HydrophobicContact CG-CB 4.12Å; Y67-M96 HydrophobicContact CG-CE 3.6Å; Y67-M96 HydrophobicContact CG-CG 4.08Å; F92-M96 HydrophobicContact CD2-CG 4.34Å; F92-M96 HydrophobicContact CE1-CG 4.48Å; F92-M96 HydrophobicContact CE2-CG 3.93Å; F92-M96 HydrophobicContact CE2-SD 4.39Å; F92-M96 HydrophobicContact CZ-CG 4.02Å; F92-M96 WeakPolarHBondContact O-CG 3.38Å; F92-M96 PolarHBondContact O-N 3.1Å; L93-M96 PolarHBondContact O-N 3.21Å; Y94-M96 VanDerWaalsContact C-N 3.32Å; Y94-M96 PolarHBondContact O-N 2.84Å; M96-T98 VanDerWaalsContact C-N 3.31Å; M96-T98 PolarHBondContact O-N 2.89Å; M96-Y99 PolarHBondContact O-N 2.79Å; M96-F101 HydrophobicContact SD-CD1 4.4Å; M96-V104 HydrophobicContact CG-CG1 4.27Å; M96-V104 HydrophobicContact CG-CG2 4.01Å; M96-V104 HydrophobicContact SD-CB 4.27Å; M96-V104 HydrophobicContact SD-CG1 3.76Å; M96-V104 HydrophobicContact SD-CG2 3.77Å
97D94.4Very high94.8Very high36 Ų3639.6 Ų39.619%0.19320%0.2CC..Hα-helixtrans-67.5-28.3178.5-82.3-25.9000114.3T3 L4 Y67 L93 Y94 Y99T3-D97 WeakPolarHBondContact CB-OD1 3.45Å; L4-D97 PolarHBondContact N-OD1 2.72Å; Y67-D97 PolarHBondContact OH-OD1 3.25Å; L93-D97 PolarHBondContact O-N 3.25Å; Y94-D97 PolarHBondContact O-N 3.01Å; D97-Y99 VanDerWaalsContact C-N 3.31Å; D97-Y99 WeakPolarHBondContact O-CE2 3.36Å
98T92.5Very high94.8Very high44 Ų4431.5 Ų31.527%0.2716%0.162SC..THydrogen-bonded Turntrans-92.915.9175.863.70000113.4Y94 L95 M96 S100Y94-T98 HydrophobicContact CD2-CG2 4.13Å; Y94-T98 HydrophobicContact CE1-CG2 4.14Å; Y94-T98 HydrophobicContact CE2-CG2 3.66Å; Y94-T98 WeakPolarHBondContact O-CG2 3.41Å; Y94-T98 PolarHBondContact O-N 3.27Å; Y94-T98 PolarHBondContact O-OG1 2.86Å; L95-T98 PolarHBondContact O-OG1 3.16Å; M96-T98 VanDerWaalsContact C-N 3.31Å; M96-T98 PolarHBondContact O-N 2.89Å; T98-S100 PolarHBondContact O-N 3.41Å; T98-S100 PolarHBondContact O-OG 3.12Å; T98-S100 PolarHBondContact OG1-OG 2.82Å; T98-S100 VanDerWaalsContact OG1-OG 3.04Å
99Y91.6Very high94.7Very high67 Ų6731 Ų3126%0.26316%0.16SC..THydrogen-bonded Turntrans55.325.6178.5-48.3-92.9000113.7M1 L4 E7 L95 M96 D97 F101M1-Y99 HydrophobicContact CE-CE2 4.42Å; L4-Y99 HydrophobicContact CB-CE1 4.19Å; L4-Y99 HydrophobicContact CD1-CD1 4.35Å; L4-Y99 HydrophobicContact CD1-CE1 3.78Å; E7-Y99 PolarHBondContact OE1-OH 3.01Å; E7-Y99 PolarHBondContact OE2-OH 3.09Å; L95-Y99 PolarHBondContact O-N 2.99Å; M96-Y99 PolarHBondContact O-N 2.79Å; D97-Y99 VanDerWaalsContact C-N 3.31Å; D97-Y99 WeakPolarHBondContact O-CE2 3.36Å; Y99-F101 HydrophobicContact CD1-CE2 4.1Å; Y99-F101 AromaticContact CD1-CZ 3.62Å; Y99-F101 HydrophobicContact CD1-CZ 3.62Å; Y99-F101 HydrophobicContact CG-CE2 4.48Å; Y99-F101 HydrophobicContact CG-CZ 4.12Å; Y99-F101 WeakPolarHBondContact O-CD2 3.16Å; Y99-F101 PolarHBondContact O-N 2.89Å
100S92.4Very high94.4Very high40 Ų4037.1 Ų37.128%0.2818%0.183SC..  trans-87.751-174.7-62.70000111L95 T98 T102 T103 V104L95-S100 WeakPolarHBondContact O-CB 3.27Å; L95-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact O-N 3.41Å; T98-S100 PolarHBondContact O-OG 3.12Å; T98-S100 PolarHBondContact OG1-OG 2.82Å; T98-S100 VanDerWaalsContact OG1-OG 3.04Å; S100-T102 PolarHBondContact O-N 2.84Å; S100-T103 CarbonylContact O-C 3.49Å; S100-T103 WeakPolarHBondContact O-CA 3.35Å; S100-T103 VanDerWaalsContact O-CB 3.29Å; S100-T103 WeakPolarHBondContact O-CB 3.32Å; S100-T103 PolarHBondContact O-N 2.96Å; S100-V104 PolarHBondContact O-N 3.1Å
101F91.9Very high94.3Very high19 Ų1937.6 Ų37.68%0.08319%0.186CC..Hα-helixtrans-61-38.7-164.9-59.5-40000115.3L4 P25 V26 L27 M96 Y99 T103 V104 K105L4-F101 HydrophobicContact CD2-CE1 4.02Å; L4-F101 HydrophobicContact CD2-CZ 4.27Å; P25-F101 WeakPolarHBondContact O-CE2 3.25Å; V26-F101 HydrophobicContact CG1-CE1 4.44Å; V26-F101 HydrophobicContact CG1-CZ 4.32Å; V26-F101 WeakPolarHBondContact O-CD1 3.31Å; V26-F101 WeakPolarHBondContact O-CD2 3.22Å; V26-F101 WeakPolarHBondContact O-CE1 2.85Å; V26-F101 WeakPolarHBondContact O-CE2 3.49Å; V26-F101 WeakPolarHBondContact O-CG 3.44Å; V26-F101 WeakPolarHBondContact O-CZ 3.37Å; L27-F101 HydrophobicContact CD2-CB 3.58Å; L27-F101 HydrophobicContact CD2-CD1 3.57Å; L27-F101 HydrophobicContact CD2-CE1 4.48Å; L27-F101 HydrophobicContact CD2-CG 3.77Å; M96-F101 HydrophobicContact SD-CD1 4.4Å; Y99-F101 HydrophobicContact CD1-CE2 4.1Å; Y99-F101 AromaticContact CD1-CZ 3.62Å; Y99-F101 HydrophobicContact CD1-CZ 3.62Å; Y99-F101 HydrophobicContact CG-CE2 4.48Å; Y99-F101 HydrophobicContact CG-CZ 4.12Å; Y99-F101 WeakPolarHBondContact O-CD2 3.16Å; Y99-F101 PolarHBondContact O-N 2.89Å; F101-T103 VanDerWaalsContact C-N 3.29Å; F101-T103 PolarHBondContact O-N 3.02Å; F101-V104 PolarHBondContact O-N 2.86Å; F101-K105 WeakPolarHBondContact O-CG 3.29Å; F101-K105 PolarHBondContact O-N 2.89Å
102T92.4Very high94Very high28 Ų2837 Ų3717%0.17218%0.178CC..Hα-helixtrans-65.1-38.2173.9-55.40000110.7F33 L53 S100 K105 L106F33-T102 HydrophobicContact CB-CG2 3.99Å; L53-T102 HydrophobicContact CD1-CG2 4.29Å; S100-T102 PolarHBondContact O-N 2.84Å; T102-K105 PolarHBondContact O-N 3.24Å; T102-L106 HydrophobicContact CG2-CD1 4.28Å; T102-L106 WeakPolarHBondContact O-CB 3.27Å; T102-L106 VanDerWaalsContact O-CG 3.27Å; T102-L106 WeakPolarHBondContact O-CG 3.2Å; T102-L106 PolarHBondContact O-N 3.18Å; T102-L106 VanDerWaalsContact O-N 3.1Å
103T93.9Very high93.8Very high45 Ų4537.6 Ų37.628%0.27618%0.181SC..Hα-helixtrans-68.7-35.8176.3-50.90000111.9F33 L95 S100 F101 L106 L107F33-T103 WeakPolarHBondContact CE2-OG1 3.3Å; L95-T103 HydrophobicContact CD1-CG2 3.74Å; L95-T103 HydrophobicContact CD2-CG2 3.86Å; L95-T103 HydrophobicContact CG-CG2 4.47Å; S100-T103 CarbonylContact O-C 3.49Å; S100-T103 WeakPolarHBondContact O-CA 3.35Å; S100-T103 VanDerWaalsContact O-CB 3.29Å; S100-T103 WeakPolarHBondContact O-CB 3.32Å; S100-T103 PolarHBondContact O-N 2.96Å; F101-T103 VanDerWaalsContact C-N 3.29Å; F101-T103 PolarHBondContact O-N 3.02Å; T103-L106 PolarHBondContact O-N 3.32Å; T103-L107 WeakPolarHBondContact O-CB 3.47Å; T103-L107 PolarHBondContact O-N 3.45Å
104V95.5Very high93.5Very high0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-57.4-50.9172.8176.30000111.1L63 F92 L95 M96 S100 F101 L106 L107 W108L63-V104 HydrophobicContact CD1-CG1 4.13Å; L63-V104 HydrophobicContact CD2-CG1 4.42Å; F92-V104 HydrophobicContact CD2-CG1 3.76Å; F92-V104 HydrophobicContact CE2-CG1 3.64Å; L95-V104 HydrophobicContact CB-CG2 3.46Å; L95-V104 VanDerWaalsContact CB-CG2 3.46Å; M96-V104 HydrophobicContact CG-CG1 4.27Å; M96-V104 HydrophobicContact CG-CG2 4.01Å; M96-V104 HydrophobicContact SD-CB 4.27Å; M96-V104 HydrophobicContact SD-CG1 3.76Å; M96-V104 HydrophobicContact SD-CG2 3.77Å; S100-V104 PolarHBondContact O-N 3.1Å; F101-V104 PolarHBondContact O-N 2.86Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.15Å; V104-L107 WeakPolarHBondContact O-CB 3.12Å; V104-L107 PolarHBondContact O-N 3.13Å; V104-W108 PolarHBondContact O-N 2.99Å; V104-W108 VanDerWaalsContact O-N 3.07Å
105K94.7Very high93Very high0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-59.2-43.9178.5-67.4168.1177.1134.60111.4P28 G30 L53 T56 I59 D60 L63 F101 T102 W108 I109P28-K105 PolarHBondContact O-NZ 3.41Å; G30-K105 PolarHBondContact O-NZ 3.23Å; L53-K105 HydrophobicContact CD1-CB 3.69Å; L53-K105 HydrophobicContact CD1-CD 3.84Å; L53-K105 HydrophobicContact CD1-CG 4.46Å; T56-K105 HydrophobicContact CG2-CD 4.08Å; I59-K105 HydrophobicContact CD1-CB 3.91Å; I59-K105 HydrophobicContact CD1-CG 3.86Å; D60-K105 WeakPolarHBondContact OD1-CE 3.48Å; D60-K105 IonicContact OD1-NZ 3.09Å; L63-K105 HydrophobicContact CD1-CG 4.11Å; F101-K105 WeakPolarHBondContact O-CG 3.29Å; F101-K105 PolarHBondContact O-N 2.89Å; T102-K105 PolarHBondContact O-N 3.24Å; K105-W108 WeakPolarHBondContact O-CB 3.24Å; K105-W108 PolarHBondContact O-N 2.9Å; K105-I109 WeakPolarHBondContact O-CD1 3.27Å; K105-I109 WeakPolarHBondContact O-CG1 3.09Å; K105-I109 PolarHBondContact O-N 2.97Å
106L94Very high92.5Very high3 Ų347.8 Ų47.82%0.01623%0.23CC..Hα-helixtrans-64.3-40.8178.4-78.2-177.2000112.8F33 I51 L53 T102 T103 V104 W108 I109 W110F33-L106 HydrophobicContact CB-CD1 3.34Å; F33-L106 HydrophobicContact CD1-CD1 3.35Å; F33-L106 HydrophobicContact CD2-CD1 3.93Å; F33-L106 HydrophobicContact CE1-CD1 4.05Å; F33-L106 HydrophobicContact CG-CD1 3.27Å; I51-L106 HydrophobicContact CG2-CD2 4.3Å; L53-L106 HydrophobicContact CD1-CD2 3.98Å; L53-L106 HydrophobicContact CD1-CG 4.2Å; L53-L106 HydrophobicContact CD2-CD2 3.73Å; L53-L106 HydrophobicContact CG-CD2 4.2Å; T102-L106 HydrophobicContact CG2-CD1 4.28Å; T102-L106 WeakPolarHBondContact O-CB 3.27Å; T102-L106 VanDerWaalsContact O-CG 3.27Å; T102-L106 WeakPolarHBondContact O-CG 3.2Å; T102-L106 PolarHBondContact O-N 3.18Å; T102-L106 VanDerWaalsContact O-N 3.1Å; T103-L106 PolarHBondContact O-N 3.32Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.15Å; L106-W108 VanDerWaalsContact C-N 3.31Å; L106-W108 PolarHBondContact O-N 2.98Å; L106-I109 HydrophobicContact CD2-CD1 4.21Å; L106-I109 PolarHBondContact O-N 3.34Å; L106-W110 HydrophobicContact CB-CE3 3.67Å; L106-W110 HydrophobicContact CB-CH2 4.41Å; L106-W110 HydrophobicContact CB-CZ3 3.38Å; L106-W110 HydrophobicContact CD1-CH2 4.09Å; L106-W110 HydrophobicContact CD1-CZ3 3.65Å; L106-W110 HydrophobicContact CD2-CE3 4.06Å; L106-W110 HydrophobicContact CD2-CH2 3.49Å; L106-W110 VanDerWaalsContact CD2-CH2 3.49Å; L106-W110 HydrophobicContact CD2-CZ2 4.48Å; L106-W110 HydrophobicContact CD2-CZ3 3.31Å; L106-W110 HydrophobicContact CG-CE3 4.28Å; L106-W110 HydrophobicContact CG-CH2 4.14Å; L106-W110 HydrophobicContact CG-CZ3 3.54Å; L106-W110 PolarHBondContact O-N 3.44Å
107L95Very high92.2Very high39 Ų3948.3 Ų48.320%0.20423%0.232CC..Hα-helixtrans-56.5-47.7172.6179.168.5000110.3F88 C91 F92 L95 T103 V104 D111F88-L107 HydrophobicContact CD2-CD1 4.3Å; F88-L107 HydrophobicContact CD2-CD2 4.11Å; F88-L107 HydrophobicContact CD2-CG 3.95Å; F88-L107 HydrophobicContact CE2-CD2 4.06Å; F88-L107 HydrophobicContact CE2-CG 3.86Å; C91-L107 HydrophobicContact CB-CD2 4.12Å; F92-L107 HydrophobicContact CB-CD2 4.09Å; L95-L107 HydrophobicContact CD1-CB 4.48Å; L95-L107 HydrophobicContact CD1-CD2 4.1Å; T103-L107 WeakPolarHBondContact O-CB 3.47Å; T103-L107 PolarHBondContact O-N 3.45Å; V104-L107 WeakPolarHBondContact O-CB 3.12Å; V104-L107 PolarHBondContact O-N 3.13Å; L107-D111 WeakPolarHBondContact O-CB 3.46Å; L107-D111 PolarHBondContact O-N 3.4Å
108W94.9Very high92Very high1 Ų147.9 Ų47.90%0.00423%0.228CC..Hα-helixtrans-60.1-49.7175.7-174.8-97.6000112.5F62 L63 L66 F84 F88 V104 K105 L106 W110 K112 M113 N138 F139 N142F62-W108 HydrophobicContact CD1-CH2 4.26Å; F62-W108 HydrophobicContact CD1-CZ2 4.17Å; F62-W108 HydrophobicContact CE1-CE3 4.37Å; F62-W108 AromaticContact CE1-CH2 3.33Å; F62-W108 HydrophobicContact CE1-CH2 3.33Å; F62-W108 AromaticContact CE1-CZ2 3.63Å; F62-W108 HydrophobicContact CE1-CZ2 3.63Å; F62-W108 AromaticContact CE1-CZ3 3.73Å; F62-W108 HydrophobicContact CE1-CZ3 3.73Å; F62-W108 AromaticContact CZ-CH2 3.94Å; F62-W108 HydrophobicContact CZ-CH2 3.94Å; F62-W108 HydrophobicContact CZ-CZ2 4.42Å; L63-W108 HydrophobicContact CD2-CB 4.09Å; L63-W108 HydrophobicContact CD2-CD2 4.05Å; L63-W108 HydrophobicContact CD2-CE3 3.94Å; L63-W108 HydrophobicContact CD2-CG 4.1Å; L66-W108 HydrophobicContact CD2-CZ3 4.27Å; F84-W108 HydrophobicContact CE2-CH2 4.4Å; F84-W108 HydrophobicContact CE2-CZ3 4.26Å; F84-W108 HydrophobicContact CZ-CH2 4.05Å; F84-W108 HydrophobicContact CZ-CZ3 4.3Å; F88-W108 HydrophobicContact CE1-CZ3 4.42Å; F88-W108 HydrophobicContact CE2-CE3 4.28Å; F88-W108 AromaticContact CZ-CE3 3.66Å; F88-W108 HydrophobicContact CZ-CE3 3.66Å; F88-W108 AromaticContact CZ-CZ3 3.89Å; F88-W108 HydrophobicContact CZ-CZ3 3.89Å; V104-W108 PolarHBondContact O-N 2.99Å; V104-W108 VanDerWaalsContact O-N 3.07Å; K105-W108 WeakPolarHBondContact O-CB 3.24Å; K105-W108 PolarHBondContact O-N 2.9Å; L106-W108 VanDerWaalsContact C-N 3.31Å; L106-W108 PolarHBondContact O-N 2.98Å; W108-W110 PolarHBondContact O-N 3.06Å; W108-K112 HydrophobicContact CD2-CB 4.03Å; W108-K112 HydrophobicContact CD2-CG 4.1Å; W108-K112 HydrophobicContact CE3-CB 4.21Å; W108-K112 HydrophobicContact CE3-CG 3.78Å; W108-K112 HydrophobicContact CH2-CB 4.32Å; W108-K112 HydrophobicContact CH2-CG 4.18Å; W108-K112 HydrophobicContact CZ2-CB 4.19Å; W108-K112 HydrophobicContact CZ3-CB 4.35Å; W108-K112 HydrophobicContact CZ3-CG 3.81Å; W108-K112 WeakPolarHBondContact O-CA 3.06Å; W108-K112 WeakPolarHBondContact O-CB 3.41Å; W108-K112 PolarHBondContact O-N 3.49Å; W108-M113 VanDerWaalsContact CD1-SD 3.54Å; W108-M113 PolarHBondContact O-N 2.79Å; W108-N138 PolarHBondContact NE1-O 3.25Å; W108-F139 HydrophobicContact CZ2-CB 3.76Å; W108-N142 HydrophobicContact CH2-CB 4.32Å; W108-N142 HydrophobicContact CZ2-CB 3.99Å; W108-N142 WeakPolarHBondContact CZ2-ND2 3.32Å
109I93.6Very high91.9Very high0 Ų052.7 Ų52.70%025%0.245CC..Hα-helixtrans-60.4-45-177.8-66.2160.1000111.1L53 K105 L106 M113 Y118 I129 L131L53-I109 HydrophobicContact CD1-CD1 4.23Å; L53-I109 HydrophobicContact CD2-CD1 3.88Å; K105-I109 WeakPolarHBondContact O-CD1 3.27Å; K105-I109 WeakPolarHBondContact O-CG1 3.09Å; K105-I109 PolarHBondContact O-N 2.97Å; L106-I109 HydrophobicContact CD2-CD1 4.21Å; L106-I109 PolarHBondContact O-N 3.34Å; I109-M113 HydrophobicContact CB-SD 4.36Å; I109-M113 HydrophobicContact CG1-SD 3.86Å; I109-M113 WeakPolarHBondContact O-CB 3.34Å; I109-M113 PolarHBondContact O-N 3.09Å; I109-M113 VanDerWaalsContact O-O 3.08Å; I109-Y118 HydrophobicContact CG2-CD1 4.16Å; I109-Y118 HydrophobicContact CG2-CE1 3.74Å; I109-I129 HydrophobicContact CD1-CG2 4.43Å; I109-I129 HydrophobicContact CG2-CD1 4.48Å; I109-L131 HydrophobicContact CD1-CD1 3.96Å; I109-L131 HydrophobicContact CD1-CD2 4.1Å; I109-L131 HydrophobicContact CD1-CG 4.45Å; I109-L131 HydrophobicContact CG1-CD1 4.36Å; I109-L131 HydrophobicContact CG1-CD2 4.14Å
110W91.1Very high91.8Very high129 Ų12952.7 Ų52.749%0.48926%0.255SS..Hα-helixtrans-77.7-37.2-177.2-87-64.5000114.1I35 I51 L106 W108I35-W110 HydrophobicContact CD1-CH2 4.08Å; I51-W110 HydrophobicContact CD1-CH2 3.49Å; I51-W110 VanDerWaalsContact CD1-CH2 3.49Å; I51-W110 HydrophobicContact CD1-CZ2 3.85Å; L106-W110 HydrophobicContact CB-CE3 3.67Å; L106-W110 HydrophobicContact CB-CH2 4.41Å; L106-W110 HydrophobicContact CB-CZ3 3.38Å; L106-W110 HydrophobicContact CD1-CH2 4.09Å; L106-W110 HydrophobicContact CD1-CZ3 3.65Å; L106-W110 HydrophobicContact CD2-CE3 4.06Å; L106-W110 HydrophobicContact CD2-CH2 3.49Å; L106-W110 VanDerWaalsContact CD2-CH2 3.49Å; L106-W110 HydrophobicContact CD2-CZ2 4.48Å; L106-W110 HydrophobicContact CD2-CZ3 3.31Å; L106-W110 HydrophobicContact CG-CE3 4.28Å; L106-W110 HydrophobicContact CG-CH2 4.14Å; L106-W110 HydrophobicContact CG-CZ3 3.54Å; L106-W110 PolarHBondContact O-N 3.44Å; W108-W110 PolarHBondContact O-N 3.06Å
111D92.6Very high91.6Very high86 Ų8656.2 Ų56.246%0.4627%0.267SS..Hα-helixtrans-89.2-32.9-172.3-164.271.2000112.2F88 L107F88-D111 HydrophobicContact CD2-CB 4.02Å; F88-D111 WeakPolarHBondContact CD2-OD2 3.22Å; F88-D111 HydrophobicContact CE2-CB 4.36Å; L107-D111 WeakPolarHBondContact O-CB 3.46Å; L107-D111 PolarHBondContact O-N 3.4Å
112K92Very high91.4Very high38 Ų3860.6 Ų60.617%0.16530%0.295CS..Hα-helixtrans-113.1-26.7-172.4-54.8-53.4-178-151.90114F84 F88 W108 N142F84-K112 HydrophobicContact CD1-CD 4.45Å; F84-K112 PolarHBondContact O-NZ 3.28Å; F88-K112 HydrophobicContact CE2-CD 4.46Å; F88-K112 HydrophobicContact CE2-CG 3.96Å; F88-K112 HydrophobicContact CZ-CG 4.2Å; W108-K112 HydrophobicContact CD2-CB 4.03Å; W108-K112 HydrophobicContact CD2-CG 4.1Å; W108-K112 HydrophobicContact CE3-CB 4.21Å; W108-K112 HydrophobicContact CE3-CG 3.78Å; W108-K112 HydrophobicContact CH2-CB 4.32Å; W108-K112 HydrophobicContact CH2-CG 4.18Å; W108-K112 HydrophobicContact CZ2-CB 4.19Å; W108-K112 HydrophobicContact CZ3-CB 4.35Å; W108-K112 HydrophobicContact CZ3-CG 3.81Å; W108-K112 WeakPolarHBondContact O-CA 3.06Å; W108-K112 WeakPolarHBondContact O-CB 3.41Å; W108-K112 PolarHBondContact O-N 3.49Å; K112-N142 HydrophobicContact CB-CB 4.36Å; K112-N142 VanDerWaalsContact O-CG 3.24Å; K112-N142 PolarHBondContact O-OD1 3.28Å
113M92.4Very high90.9Very high13 Ų1363.7 Ų63.76%0.06431%0.307CS..  trans-100.5133.7-175.7-56.2176.565.300113.2W108 I109 Q117 Y118 L131 N138W108-M113 VanDerWaalsContact CD1-SD 3.54Å; W108-M113 PolarHBondContact O-N 2.79Å; I109-M113 HydrophobicContact CB-SD 4.36Å; I109-M113 HydrophobicContact CG1-SD 3.86Å; I109-M113 WeakPolarHBondContact O-CB 3.34Å; I109-M113 PolarHBondContact O-N 3.09Å; I109-M113 VanDerWaalsContact O-O 3.08Å; M113-Q117 HydrophobicContact CE-CB 3.75Å; M113-Y118 HydrophobicContact CB-CD1 4.42Å; M113-Y118 HydrophobicContact CB-CE1 4.44Å; M113-Y118 HydrophobicContact CE-CD1 4.25Å; M113-L131 HydrophobicContact CE-CD2 4.09Å; M113-L131 HydrophobicContact SD-CD2 4.47Å; M113-N138 HydrophobicContact CE-CB 4.42Å; M113-N138 WeakPolarHBondContact CE-OD1 3.46Å
114E89.6Confident90.4Very high96 Ų9671.9 Ų71.945%0.44934%0.339SS..  trans-71.9149.3164.3-56.8176.8148.100111.1Q116 Q117 K141E114-Q116 HydrophobicContact CB-CG 4.06Å; E114-Q116 PolarHBondContact O-N 3.42Å; E114-Q116 PolarHBondContact OE2-NE2 2.9Å; E114-Q117 VanDerWaalsContact CB-OE1 3.3Å; E114-Q117 WeakPolarHBondContact O-CB 3.26Å; E114-Q117 PolarHBondContact O-N 3.03Å; E114-K141 IonicContact OE2-NZ 3.52Å; E114-K141 PolarHBondContact OE2-NZ 3.33Å
115K86Confident89.8Confident169 Ų16974.9 Ų74.974%0.73536%0.364SS*.G310 helixtrans-58-24.4178.5-69.9-175.4179.4178.30114.5Q117K115-Q117 VanDerWaalsContact C-N 3.29Å
116Q86.6Confident89.4Confident150 Ų15075.6 Ų75.670%0.70137%0.369SS*.G310 helixtrans-74.5-19.6178.863.7-177.70.100113.2E114 Y118E114-Q116 HydrophobicContact CB-CG 4.06Å; E114-Q116 PolarHBondContact O-N 3.42Å; E114-Q116 PolarHBondContact OE2-NE2 2.9Å; Q116-Y118 VanDerWaalsContact C-N 3.26Å; Q116-Y118 PolarHBondContact O-N 3.34Å
117Q89.3Confident89.2Confident12 Ų1277.3 Ų77.36%0.05638%0.378CS..G310 helixtrans-77-12.2179.5-69.4162-73.100112.3M113 E114 K115 D137 N138 N142M113-Q117 HydrophobicContact CE-CB 3.75Å; E114-Q117 VanDerWaalsContact CB-OE1 3.3Å; E114-Q117 WeakPolarHBondContact O-CB 3.26Å; E114-Q117 PolarHBondContact O-N 3.03Å; K115-Q117 VanDerWaalsContact C-N 3.29Å; Q117-D137 WeakPolarHBondContact CG-O 3.18Å; Q117-D137 PolarHBondContact NE2-O 3.44Å; Q117-N138 PolarHBondContact O-OD1 3.46Å; Q117-N142 PolarHBondContact NE2-OD1 2.97Å
118Y90.6Very high89.2Confident27 Ų2776.7 Ų76.711%0.10637%0.374CS..SBendtrans-141.4152-179.762.5-94.5000112.6I109 M113 Q116 I129 L131I109-Y118 HydrophobicContact CG2-CD1 4.16Å; I109-Y118 HydrophobicContact CG2-CE1 3.74Å; M113-Y118 HydrophobicContact CB-CD1 4.42Å; M113-Y118 HydrophobicContact CB-CE1 4.44Å; M113-Y118 HydrophobicContact CE-CD1 4.25Å; Q116-Y118 VanDerWaalsContact C-N 3.26Å; Q116-Y118 PolarHBondContact O-N 3.34Å; Y118-I129 HydrophobicContact CD2-CG2 3.56Å; Y118-I129 HydrophobicContact CE2-CD1 4.48Å; Y118-I129 HydrophobicContact CE2-CG1 4.35Å; Y118-I129 HydrophobicContact CE2-CG2 4.07Å; Y118-I129 HydrophobicContact CG-CG2 4Å; Y118-L131 HydrophobicContact CG-CD2 4.38Å
119K89.3Confident89.1Confident145 Ų14576.7 Ų76.763%0.6337%0.374SS*.EExtended strand (participates in β ladder)trans-90.1135.7174.2-66.1178.1-175.4173.40109.2D130K119-D130 HydrophobicContact CB-CB 4.3Å; K119-D130 PolarHBondContact N-O 3.29Å; K119-D130 PolarHBondContact O-N 2.81Å
120S88.9Confident89Confident66 Ų6678.7 Ų78.746%0.46239%0.385SS..EExtended strand (participates in β ladder)trans-129.5130.8177.171.70000112.1I128S120-I128 CarbonylContact C-O 3.55Å; S120-I128 WeakPolarHBondContact CA-O 3.39Å
121E89.3Confident89Confident114 Ų11472.5 Ų72.553%0.53336%0.362SS..EExtended strand (participates in β ladder)trans-126.6139.1178.3-65.1-176.6175.200110.9H123 I128E121-H123 IonicContact OE2-CD2 3.65Å; E121-H123 IonicContact OE2-CE1 2.58Å; E121-H123 IonicContact OE2-NE2 3.81Å; E121-H123 PolarHBondContact OE2-NE2 3.47Å; E121-I128 PolarHBondContact N-O 3.4Å; E121-I128 PolarHBondContact O-N 3.49Å
122V86.7Confident88.7Confident111 Ų11174.2 Ų74.267%0.67337%0.365SS*.EExtended strand (participates in β ladder)trans-102.8116.4176.1-178.90000109.2S126 L127V122-S126 CarbonylContact C-O 3.45Å; V122-S126 WeakPolarHBondContact CA-O 3.4Å; V122-L127 HydrophobicContact CG2-CD1 3.86Å
123H83.3Confident88.2Confident94 Ų9473.8 Ų73.844%0.43537%0.372SS..EExtended strand (participates in β ladder)trans-118108.1177-69.2-73.5000109.5E121 A125 S126E121-H123 IonicContact OE2-CD2 3.65Å; E121-H123 IonicContact OE2-CE1 2.58Å; E121-H123 IonicContact OE2-NE2 3.81Å; E121-H123 PolarHBondContact OE2-NE2 3.47Å; H123-A125 PolarHBondContact O-N 2.82Å; H123-S126 PolarHBondContact N-O 2.96Å; H123-S126 WeakPolarHBondContact O-CB 3.35Å; H123-S126 PolarHBondContact O-N 3.39Å
124K82.9Confident87.7Confident217 Ų21775.3 Ų75.394%0.94338%0.38SS*.THydrogen-bonded Turntrans55.2-118.5-173.1-56175.1-179.9174.60110.8
125A82.1Confident87.4Confident62 Ų6270.9 Ų70.951%0.51236%0.359SS..THydrogen-bonded Turntrans-100.925175.500000112.5V49 E50 H123V49-A125 WeakPolarHBondContact CA-O 3.4Å; E50-A125 PolarHBondContact N-O 2.81Å; E50-A125 VanDerWaalsContact N-O 3.07Å; H123-A125 PolarHBondContact O-N 2.82Å
126S86.9Confident87.5Confident15 Ų1565.1 Ų65.111%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-119.2132.8178.4160.60000110.6E50 V122 H123E50-S126 CarbonylContact O-C 3.59Å; E50-S126 WeakPolarHBondContact O-CA 2.81Å; V122-S126 CarbonylContact C-O 3.45Å; V122-S126 WeakPolarHBondContact CA-O 3.4Å; H123-S126 PolarHBondContact N-O 2.96Å; H123-S126 WeakPolarHBondContact O-CB 3.35Å; H123-S126 PolarHBondContact O-N 3.39Å
127L90.9Very high87.5Confident40 Ų4060.8 Ų60.821%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-98.7122166.117867.1000108.7V49 E50 I51 R52 V122 I129V49-L127 HydrophobicContact CG1-CB 4.42Å; E50-L127 PolarHBondContact O-N 2.73Å; I51-L127 CarbonylContact C-O 3.55Å; I51-L127 VanDerWaalsContact CA-O 3.24Å; I51-L127 WeakPolarHBondContact CA-O 3.4Å; I51-L127 HydrophobicContact CD1-CD2 4.45Å; I51-L127 HydrophobicContact CG1-CB 4.29Å; R52-L127 PolarHBondContact N-O 3.2Å; V122-L127 HydrophobicContact CG2-CD1 3.86Å; L127-I129 HydrophobicContact CD2-CD1 4.15Å; L127-I129 HydrophobicContact CD2-CG1 4.17Å; L127-I129 HydrophobicContact CG-CG1 4.14Å
128I93.1Very high87.4Confident25 Ų2560.2 Ų60.213%0.12831%0.314CS..EExtended strand (participates in β ladder)trans-98.8125.1171.4-55.7-176000107.4R52 K54 S120 E121R52-I128 HydrophobicContact CB-CG1 4.4Å; R52-I128 CarbonylContact O-C 3.57Å; R52-I128 WeakPolarHBondContact O-CA 3.48Å; K54-I128 HydrophobicContact CD-CG2 3.94Å; K54-I128 HydrophobicContact CG-CG2 4.25Å; S120-I128 CarbonylContact C-O 3.55Å; S120-I128 WeakPolarHBondContact CA-O 3.39Å; E121-I128 PolarHBondContact N-O 3.4Å; E121-I128 PolarHBondContact O-N 3.49Å
129I93.5Very high87.2Confident1 Ų159 Ų591%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-109.6117.7171.3-61.3174.3000107.2I51 R52 L53 K54 I109 Y118 L127 L131I51-I129 HydrophobicContact CG2-CD1 3.96Å; I51-I129 HydrophobicContact CG2-CG1 4.4Å; R52-I129 PolarHBondContact O-N 3.24Å; L53-I129 WeakPolarHBondContact CA-O 3.23Å; L53-I129 HydrophobicContact CD2-CB 3.76Å; L53-I129 HydrophobicContact CD2-CD1 4.2Å; L53-I129 HydrophobicContact CD2-CG1 4.45Å; L53-I129 HydrophobicContact CD2-CG2 4.17Å; K54-I129 PolarHBondContact N-O 3.02Å; I109-I129 HydrophobicContact CD1-CG2 4.43Å; I109-I129 HydrophobicContact CG2-CD1 4.48Å; Y118-I129 HydrophobicContact CD2-CG2 3.56Å; Y118-I129 HydrophobicContact CE2-CD1 4.48Å; Y118-I129 HydrophobicContact CE2-CG1 4.35Å; Y118-I129 HydrophobicContact CE2-CG2 4.07Å; Y118-I129 HydrophobicContact CG-CG2 4Å; L127-I129 HydrophobicContact CD2-CD1 4.15Å; L127-I129 HydrophobicContact CD2-CG1 4.17Å; L127-I129 HydrophobicContact CG-CG1 4.14Å; I129-L131 HydrophobicContact CG2-CD2 3.87Å; I129-L131 HydrophobicContact CG2-CG 4.39Å
130D92.4Very high87.1Confident42 Ų4252.2 Ų52.223%0.22528%0.28CS..EExtended strand (participates in β ladder)trans-105.3114.7177.6-170.6-7.2000109.2N55 K119 F132N55-D130 WeakPolarHBondContact CB-OD1 3.37Å; N55-D130 PolarHBondContact ND2-OD1 3.24Å; N55-D130 PolarHBondContact ND2-OD2 3.17Å; K119-D130 HydrophobicContact CB-CB 4.3Å; K119-D130 PolarHBondContact N-O 3.29Å; K119-D130 PolarHBondContact O-N 2.81Å; D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 WeakPolarHBondContact OD1-CB 3.35Å; D130-F132 PolarHBondContact OD1-N 2.92Å
131L90.8Very high87.1Confident0 Ų051.5 Ų51.50%027%0.269CS..  trans-91.214.6179.3-59.9-176.4000112.8K54 T56 I59 I109 M113 Y118 I129 G133 N138K54-L131 PolarHBondContact O-N 2.87Å; T56-L131 HydrophobicContact CG2-CD1 3.99Å; I59-L131 HydrophobicContact CD1-CD1 3.29Å; I59-L131 HydrophobicContact CG1-CD1 3.65Å; I59-L131 HydrophobicContact CG2-CD1 4.33Å; I109-L131 HydrophobicContact CD1-CD1 3.96Å; I109-L131 HydrophobicContact CD1-CD2 4.1Å; I109-L131 HydrophobicContact CD1-CG 4.45Å; I109-L131 HydrophobicContact CG1-CD1 4.36Å; I109-L131 HydrophobicContact CG1-CD2 4.14Å; M113-L131 HydrophobicContact CE-CD2 4.09Å; M113-L131 HydrophobicContact SD-CD2 4.47Å; Y118-L131 HydrophobicContact CG-CD2 4.38Å; I129-L131 HydrophobicContact CG2-CD2 3.87Å; I129-L131 HydrophobicContact CG2-CG 4.39Å; L131-G133 PolarHBondContact O-N 3.22Å; L131-G133 VanDerWaalsContact O-N 3.12Å; L131-N138 PolarHBondContact O-ND2 3.27Å
132F86.1Confident87.1Confident122 Ų12247.6 Ų47.654%0.53525%0.251SS..  trans-55.7119.6173-172.1-92.6000110.4N55 D130N55-F132 HydrophobicContact CB-CB 4.02Å; N55-F132 HydrophobicContact CB-CD2 4.47Å; D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 WeakPolarHBondContact OD1-CB 3.35Å; D130-F132 PolarHBondContact OD1-N 2.92Å
133G81.2Confident87.3Confident29 Ų2942.3 Ų42.330%0.29922%0.219SC..SBendtrans169.9-175.7-17300000111.4T58 L131T58-G133 PolarHBondContact OG1-O 2.75Å; L131-G133 PolarHBondContact O-N 3.22Å; L131-G133 VanDerWaalsContact O-N 3.12Å
134N81.8Confident87.6Confident44 Ų4439.4 Ų39.424%0.23521%0.206CC..  trans-91.6166.7176.466.958.7000111.5T58 H136 D137 N138T58-N134 WeakPolarHBondContact CG2-O 3.36Å; N134-H136 VanDerWaalsContact C-N 3.32Å; N134-H136 PolarHBondContact O-N 3.27Å; N134-H136 WeakPolarHBondContact OD1-CA 3.41Å; N134-H136 WeakPolarHBondContact OD1-CB 3.06Å; N134-H136 PolarHBondContact OD1-N 3.17Å; N134-D137 PolarHBondContact ND2-OD2 3.25Å; N134-D137 PolarHBondContact OD1-N 3.31Å; N134-D137 PolarHBondContact OD1-OD2 3Å; N134-N138 WeakPolarHBondContact O-CB 3.4Å; N134-N138 PolarHBondContact O-N 3.16Å; N134-N138 PolarHBondContact O-ND2 3.33Å
135E84.6Confident87.9Confident4 Ų434.4 Ų34.42%0.01919%0.19CC..Hα-helixtrans-56.4-43.5177.8-165-172.6177.800113.4N138 F139 T140 T257 Y266 S300 S301E135-N138 PolarHBondContact O-N 3.3Å; E135-F139 HydrophobicContact CB-CE1 4.14Å; E135-F139 HydrophobicContact CB-CZ 4.43Å; E135-F139 HydrophobicContact CG-CD1 3.85Å; E135-F139 HydrophobicContact CG-CE1 2.98Å; E135-F139 HydrophobicContact CG-CE2 3.81Å; E135-F139 HydrophobicContact CG-CZ 3.01Å; E135-F139 VanDerWaalsContact O-CD1 3.27Å; E135-F139 WeakPolarHBondContact O-CD1 3.48Å; E135-F139 PolarHBondContact O-N 2.83Å; E135-F139 WeakPolarHBondContact OE1-CE2 3.34Å; E135-F139 WeakPolarHBondContact OE1-CZ 3.25Å; E135-T140 PolarHBondContact O-N 3.17Å; E135-T257 WeakPolarHBondContact OE1-CB 3.19Å; E135-T257 WeakPolarHBondContact OE1-CG2 3.47Å; E135-T257 PolarHBondContact OE1-OG1 3.47Å; E135-T257 PolarHBondContact OE2-OG1 3.08Å; E135-T257 VanDerWaalsContact OE2-OG1 3.06Å; E135-Y266 HydrophobicContact CB-CE1 3.92Å; E135-S300 VanDerWaalsContact OE2-C 3.26Å; E135-S300 WeakPolarHBondContact OE2-CB 3.32Å; E135-S300 PolarHBondContact OE2-OG 2.91Å; E135-S301 WeakPolarHBondContact OE1-CB 3.24Å; E135-S301 PolarHBondContact OE1-OG 2.92Å; E135-S301 WeakPolarHBondContact OE2-CB 3.47Å; E135-S301 PolarHBondContact OE2-N 2.77Å; E135-S301 PolarHBondContact OE2-OG 3.25Å
136H86.4Confident88.3Confident47 Ų4731.8 Ų31.822%0.21817%0.167CC..Hα-helixtrans-61.2-51.5-175.7173.780.1000111.5N134 N138 T140 K141N134-H136 VanDerWaalsContact C-N 3.32Å; N134-H136 PolarHBondContact O-N 3.27Å; N134-H136 WeakPolarHBondContact OD1-CA 3.41Å; N134-H136 WeakPolarHBondContact OD1-CB 3.06Å; N134-H136 PolarHBondContact OD1-N 3.17Å; H136-N138 VanDerWaalsContact C-N 3.3Å; H136-N138 PolarHBondContact O-N 3.34Å; H136-T140 PolarHBondContact O-N 2.83Å; H136-T140 VanDerWaalsContact O-N 3.16Å; H136-K141 WeakPolarHBondContact O-CB 3.41Å; H136-K141 PolarHBondContact O-N 3.4Å
137D86.6Confident88.6Confident60 Ų6031 Ų3132%0.32116%0.162SC..Hα-helixtrans-65.2-34.4179.3-67.8-39.1000111.6Q117 N134Q117-D137 WeakPolarHBondContact CG-O 3.18Å; Q117-D137 PolarHBondContact NE2-O 3.44Å; N134-D137 PolarHBondContact ND2-OD2 3.25Å; N134-D137 PolarHBondContact OD1-N 3.31Å; N134-D137 PolarHBondContact OD1-OD2 3Å
138N87.4Confident88.7Confident0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-85-23-174.4-80.5-34.5000113.9T58 I59 W108 M113 Q117 L131 N134 E135 H136T58-N138 WeakPolarHBondContact CB-ND2 3.28Å; T58-N138 HydrophobicContact CG2-CB 3.88Å; T58-N138 VanDerWaalsContact CG2-ND2 3.31Å; T58-N138 WeakPolarHBondContact CG2-ND2 3.13Å; I59-N138 HydrophobicContact CG2-CB 3.76Å; W108-N138 PolarHBondContact NE1-O 3.25Å; M113-N138 HydrophobicContact CE-CB 4.42Å; M113-N138 WeakPolarHBondContact CE-OD1 3.46Å; Q117-N138 PolarHBondContact O-OD1 3.46Å; L131-N138 PolarHBondContact O-ND2 3.27Å; N134-N138 WeakPolarHBondContact O-CB 3.4Å; N134-N138 PolarHBondContact O-N 3.16Å; N134-N138 PolarHBondContact O-ND2 3.33Å; E135-N138 PolarHBondContact O-N 3.3Å; H136-N138 VanDerWaalsContact C-N 3.3Å; H136-N138 PolarHBondContact O-N 3.34Å
139F87.3Confident88.8Confident1 Ų128 Ų280%0.00415%0.146CC..THydrogen-bonded Turntrans-151.8-39.2174.867.6-99.8000117.5F62 W108 E135 K141 N142 L143 T257F62-F139 HydrophobicContact CB-CD1 3.73Å; F62-F139 HydrophobicContact CB-CD2 4.29Å; F62-F139 HydrophobicContact CB-CE1 3.57Å; F62-F139 HydrophobicContact CB-CE2 4.27Å; F62-F139 HydrophobicContact CB-CG 3.98Å; F62-F139 HydrophobicContact CB-CZ 3.79Å; F62-F139 HydrophobicContact CD1-CB 3.84Å; F62-F139 HydrophobicContact CD1-CD2 4.38Å; F62-F139 HydrophobicContact CD1-CG 4.08Å; F62-F139 HydrophobicContact CD2-CB 4.35Å; F62-F139 HydrophobicContact CD2-CD1 4.37Å; F62-F139 AromaticContact CD2-CD2 3.37Å; F62-F139 HydrophobicContact CD2-CD2 3.37Å; F62-F139 HydrophobicContact CD2-CE1 4.3Å; F62-F139 AromaticContact CD2-CE2 3.42Å; F62-F139 HydrophobicContact CD2-CE2 3.42Å; F62-F139 VanDerWaalsContact CD2-CE2 3.42Å; F62-F139 AromaticContact CD2-CG 3.83Å; F62-F139 HydrophobicContact CD2-CG 3.83Å; F62-F139 AromaticContact CD2-CZ 3.79Å; F62-F139 HydrophobicContact CD2-CZ 3.79Å; F62-F139 HydrophobicContact CE1-CB 4.15Å; F62-F139 AromaticContact CE2-CD2 3.74Å; F62-F139 HydrophobicContact CE2-CD2 3.74Å; F62-F139 HydrophobicContact CE2-CE2 4.04Å; F62-F139 HydrophobicContact CE2-CG 4.38Å; F62-F139 HydrophobicContact CG-CB 3.95Å; F62-F139 AromaticContact CG-CD1 3.96Å; F62-F139 HydrophobicContact CG-CD1 3.96Å; F62-F139 AromaticContact CG-CD2 3.74Å; F62-F139 HydrophobicContact CG-CD2 3.74Å; F62-F139 HydrophobicContact CG-CE1 4.09Å; F62-F139 AromaticContact CG-CE2 4Å; F62-F139 HydrophobicContact CG-CE2 4Å; F62-F139 AromaticContact CG-CG 3.65Å; F62-F139 HydrophobicContact CG-CG 3.65Å; F62-F139 HydrophobicContact CG-CZ 4.04Å; F62-F139 HydrophobicContact CZ-CD2 4.39Å; W108-F139 HydrophobicContact CZ2-CB 3.76Å; E135-F139 HydrophobicContact CB-CE1 4.14Å; E135-F139 HydrophobicContact CB-CZ 4.43Å; E135-F139 HydrophobicContact CG-CD1 3.85Å; E135-F139 HydrophobicContact CG-CE1 2.98Å; E135-F139 HydrophobicContact CG-CE2 3.81Å; E135-F139 HydrophobicContact CG-CZ 3.01Å; E135-F139 VanDerWaalsContact O-CD1 3.27Å; E135-F139 WeakPolarHBondContact O-CD1 3.48Å; E135-F139 PolarHBondContact O-N 2.83Å; E135-F139 WeakPolarHBondContact OE1-CE2 3.34Å; E135-F139 WeakPolarHBondContact OE1-CZ 3.25Å; F139-K141 PolarHBondContact O-N 3.38Å; F139-N142 WeakPolarHBondContact O-CA 3.12Å; F139-N142 WeakPolarHBondContact O-CB 3.32Å; F139-N142 PolarHBondContact O-N 2.99Å; F139-L143 HydrophobicContact CD2-CD1 4.45Å; F139-T257 HydrophobicContact CE1-CG2 4.48Å; F139-T257 HydrophobicContact CZ-CG2 3.91Å
140T87.1Confident89Confident3 Ų329.8 Ų29.82%0.01816%0.155CC..G310 helixtrans-61.9-33.6-172.2-49.20000111.4E135 H136 N142 L143 M147 V226E135-T140 PolarHBondContact O-N 3.17Å; H136-T140 PolarHBondContact O-N 2.83Å; H136-T140 VanDerWaalsContact O-N 3.16Å; T140-N142 PolarHBondContact O-N 3.45Å; T140-L143 WeakPolarHBondContact O-CB 3.34Å; T140-L143 PolarHBondContact O-N 2.9Å; T140-M147 HydrophobicContact CG2-CE 3.89Å; T140-V226 HydrophobicContact CG2-CG1 4.44Å
141K89.3Confident89.2Confident51 Ų5128.3 Ų28.322%0.22215%0.147CC..G310 helixtrans-55.6-36.9171.2-172.7178.3-177.8-1660112.9E114 H136 F139 L143 E144E114-K141 IonicContact OE2-NZ 3.52Å; E114-K141 PolarHBondContact OE2-NZ 3.33Å; H136-K141 WeakPolarHBondContact O-CB 3.41Å; H136-K141 PolarHBondContact O-N 3.4Å; F139-K141 PolarHBondContact O-N 3.38Å; K141-L143 PolarHBondContact O-N 2.63Å; K141-E144 WeakPolarHBondContact O-CB 3.29Å; K141-E144 VanDerWaalsContact O-CG 3.29Å; K141-E144 WeakPolarHBondContact O-CG 3.21Å; K141-E144 PolarHBondContact O-N 2.8Å
142N88.9Confident89.5Confident32 Ų3234 Ų3417%0.17117%0.174CC..G310 helixtrans-74.9-8.3180-53.6-31.3000112.5W108 K112 Q117 F139 T140W108-N142 HydrophobicContact CH2-CB 4.32Å; W108-N142 HydrophobicContact CZ2-CB 3.99Å; W108-N142 WeakPolarHBondContact CZ2-ND2 3.32Å; K112-N142 HydrophobicContact CB-CB 4.36Å; K112-N142 VanDerWaalsContact O-CG 3.24Å; K112-N142 PolarHBondContact O-OD1 3.28Å; Q117-N142 PolarHBondContact NE2-OD1 2.97Å; F139-N142 WeakPolarHBondContact O-CA 3.12Å; F139-N142 WeakPolarHBondContact O-CB 3.32Å; F139-N142 PolarHBondContact O-N 2.99Å; T140-N142 PolarHBondContact O-N 3.45Å
143L90.5Very high90Very high0 Ų028.6 Ų28.60%015%0.151CC..G310 helixtrans-101.5-1.1176.1-61.5171.1000113.1F62 F84 F139 T140 K141 N145 L146 M147 F224 V226F62-L143 HydrophobicContact CE2-CD1 3.94Å; F62-L143 HydrophobicContact CZ-CD1 4.19Å; F62-L143 HydrophobicContact CZ-CD2 4.47Å; F84-L143 HydrophobicContact CE1-CD2 4.22Å; F84-L143 HydrophobicContact CE2-CD2 4.22Å; F84-L143 HydrophobicContact CZ-CD2 3.44Å; F84-L143 VanDerWaalsContact CZ-CD2 3.44Å; F139-L143 HydrophobicContact CD2-CD1 4.45Å; T140-L143 WeakPolarHBondContact O-CB 3.34Å; T140-L143 PolarHBondContact O-N 2.9Å; K141-L143 PolarHBondContact O-N 2.63Å; L143-N145 VanDerWaalsContact C-N 3.32Å; L143-N145 PolarHBondContact O-N 3.22Å; L143-L146 HydrophobicContact CD2-CD2 4.05Å; L143-L146 WeakPolarHBondContact O-CB 3.32Å; L143-L146 PolarHBondContact O-N 3.2Å; L143-M147 HydrophobicContact CB-CE 3.62Å; L143-M147 HydrophobicContact CB-CG 4.39Å; L143-M147 HydrophobicContact CB-SD 4.2Å; L143-M147 HydrophobicContact CD1-CE 4.45Å; L143-M147 PolarHBondContact O-N 2.95Å; L143-F224 HydrophobicContact CD1-CE2 3.94Å; L143-F224 HydrophobicContact CD2-CE2 3.98Å; L143-F224 HydrophobicContact CD2-CZ 3.77Å; L143-V226 HydrophobicContact CD1-CG2 3.72Å
144E90.2Very high90.7Very high33 Ų3332 Ų3215%0.15416%0.155CC..THydrogen-bonded Turntrans-53.8-44.5-173.8-85.5-177.2-169.600113.7K141 S148 R170 T171K141-E144 WeakPolarHBondContact O-CB 3.29Å; K141-E144 VanDerWaalsContact O-CG 3.29Å; K141-E144 WeakPolarHBondContact O-CG 3.21Å; K141-E144 PolarHBondContact O-N 2.8Å; E144-S148 WeakPolarHBondContact O-CB 3.35Å; E144-S148 PolarHBondContact O-N 2.93Å; E144-R170 WeakPolarHBondContact CA-O 3.43Å; E144-R170 HydrophobicContact CB-CB 3.92Å; E144-R170 HydrophobicContact CG-CB 3.83Å; E144-R170 VanDerWaalsContact O-O 3.09Å; E144-R170 WeakPolarHBondContact OE2-CD 3.34Å; E144-R170 IonicContact OE2-NH1 3.85Å; E144-T171 HydrophobicContact CG-CG2 3.84Å
145N89Confident91.4Very high112 Ų11229.9 Ų29.960%0.59914%0.144SC*.THydrogen-bonded Turntrans-66.7-41.6178.6-69.9-19000110.9L143 M147 S148 H219L143-N145 VanDerWaalsContact C-N 3.32Å; L143-N145 PolarHBondContact O-N 3.22Å; N145-M147 VanDerWaalsContact C-N 3.35Å; N145-M147 PolarHBondContact O-N 3.05Å; N145-S148 PolarHBondContact O-N 3.28Å; N145-S148 PolarHBondContact O-OG 2.95Å; N145-H219 PolarHBondContact O-CD2 2.88Å; N145-H219 VanDerWaalsContact O-CD2 3.29Å
146L91.1Very high92Very high6 Ų633.2 Ų33.23%0.03117%0.168CC..THydrogen-bonded Turntrans-62.3-41.7-179.9178.470.4000111.9L80 H83 L143 P222 F224L80-L146 HydrophobicContact CD1-CD1 4.45Å; L80-L146 HydrophobicContact CD1-CD2 3.84Å; H83-L146 HydrophobicContact CB-CD1 4.23Å; H83-L146 WeakPolarHBondContact CD2-CD1 3.34Å; L143-L146 HydrophobicContact CD2-CD2 4.05Å; L143-L146 WeakPolarHBondContact O-CB 3.32Å; L143-L146 PolarHBondContact O-N 3.2Å; L146-P222 HydrophobicContact CD1-CB 3.79Å; L146-P222 HydrophobicContact CD2-CB 4.38Å; L146-P222 HydrophobicContact CG-CB 3.77Å; L146-F224 HydrophobicContact CD2-CE1 4.16Å; L146-F224 HydrophobicContact CD2-CE2 4.49Å; L146-F224 HydrophobicContact CD2-CZ 4.03Å
147M92.3Very high92.5Very high0 Ų033 Ų330%017%0.168CC..THydrogen-bonded Turntrans-96.87.2-174.6-58.3-175.6-53.700113.4T140 L143 N145 T149 V226T140-M147 HydrophobicContact CG2-CE 3.89Å; L143-M147 HydrophobicContact CB-CE 3.62Å; L143-M147 HydrophobicContact CB-CG 4.39Å; L143-M147 HydrophobicContact CB-SD 4.2Å; L143-M147 HydrophobicContact CD1-CE 4.45Å; L143-M147 PolarHBondContact O-N 2.95Å; N145-M147 VanDerWaalsContact C-N 3.35Å; N145-M147 PolarHBondContact O-N 3.05Å; M147-T149 PolarHBondContact O-N 3.38Å; M147-V226 HydrophobicContact CE-CB 4.32Å; M147-V226 HydrophobicContact SD-CB 3.86Å; M147-V226 HydrophobicContact SD-CG2 4.13Å; M147-V226 PolarHBondContact SD-N 3.24Å
148S93.9Very high92.7Very high2 Ų238 Ų381%0.01418%0.183CC..  trans-63.2138-177.459.90000111.8E144 N145 Q169 F217 C218E144-S148 WeakPolarHBondContact O-CB 3.35Å; E144-S148 PolarHBondContact O-N 2.93Å; N145-S148 PolarHBondContact O-N 3.28Å; N145-S148 PolarHBondContact O-OG 2.95Å; S148-Q169 CarbonylContact C-O 3.43Å; S148-Q169 VanDerWaalsContact CA-O 3.31Å; S148-Q169 WeakPolarHBondContact CA-O 3.15Å; S148-F217 WeakPolarHBondContact O-CA 3.48Å; S148-C218 PolarHBondContact O-N 3.05Å; S148-C218 WeakPolarHBondContact OG-CB 3.5Å
149T95.4Very high93Very high0 Ų046.8 Ų46.80%022%0.216CC..EExtended strand (participates in β ladder)trans-130.8159.2-179.162.90000111M147 Q168 Q169 F194 R215 V216 F217M147-T149 PolarHBondContact O-N 3.38Å; T149-Q168 CarbonylContact O-C 3.59Å; T149-Q168 WeakPolarHBondContact O-CA 3.49Å; T149-Q168 WeakPolarHBondContact O-CG 3.4Å; T149-Q169 PolarHBondContact N-O 3.41Å; T149-Q169 PolarHBondContact O-N 3.06Å; T149-Q169 PolarHBondContact OG1-O 3.37Å; T149-F194 HydrophobicContact CG2-CE1 4.14Å; T149-F194 HydrophobicContact CG2-CZ 4.06Å; T149-R215 HydrophobicContact CG2-CG 4.32Å; T149-R215 WeakPolarHBondContact OG1-CD 3.44Å; T149-R215 PolarHBondContact OG1-NH1 2.73Å; T149-V216 CarbonylContact C-O 3.59Å; T149-V216 WeakPolarHBondContact CA-O 3.43Å; T149-V216 WeakPolarHBondContact CB-O 3.25Å; T149-F217 HydrophobicContact CG2-CD1 3.66Å; T149-F217 HydrophobicContact CG2-CE1 3.85Å; T149-F217 HydrophobicContact CG2-CG 4.36Å
150I96.1Very high93.3Very high37 Ų3747.1 Ų47.119%0.1922%0.218CC..EExtended strand (participates in β ladder)trans-136.4143-179.5-172.8163.4000109.6E166 D167 R215 V216I150-E166 HydrophobicContact CD1-CG 3.4Å; I150-E166 VanDerWaalsContact CD1-CG 3.4Å; I150-E166 VanDerWaalsContact CD1-OE1 3.28Å; I150-E166 WeakPolarHBondContact CD1-OE1 3.4Å; I150-E166 HydrophobicContact CG1-CG 3.51Å; I150-D167 CarbonylContact C-O 3.47Å; I150-D167 WeakPolarHBondContact CA-O 3.49Å; I150-R215 WeakPolarHBondContact O-CA 3.18Å; I150-V216 HydrophobicContact CG2-CG2 3.53Å; I150-V216 PolarHBondContact N-O 3.36Å; I150-V216 PolarHBondContact O-N 2.79Å
151Q96.5Very high93.6Very high11 Ų1151.9 Ų51.95%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-138.8124174.2-175.5173.343.200109.8D167 S213 R215Q151-D167 PolarHBondContact N-O 2.74Å; Q151-D167 PolarHBondContact O-N 3.18Å; Q151-S213 WeakPolarHBondContact CG-O 3.5Å; Q151-S213 PolarHBondContact NE2-O 2.8Å; Q151-R215 HydrophobicContact CB-CB 4.2Å; Q151-R215 HydrophobicContact CB-CG 4.27Å; Q151-R215 HydrophobicContact CG-CB 4.49Å
152E97.1Very high93.8Very high121 Ų12151.5 Ų51.557%0.56525%0.251SS*.EExtended strand (participates in β ladder)trans-86.6145.8172.2-62.1-177.4161.900110.1Q165 S213E152-Q165 CarbonylContact C-O 3.53Å; E152-Q165 WeakPolarHBondContact CA-O 3.31Å; E152-S213 PolarHBondContact N-OG 2.76Å; E152-S213 WeakPolarHBondContact O-CB 3.32Å; E152-S213 PolarHBondContact O-N 3.2Å; E152-S213 PolarHBondContact O-OG 2.58Å
153S96.8Very high94.1Very high8 Ų854.3 Ų54.36%0.05626%0.259CS..EExtended strand (participates in β ladder)trans-139152.1170.975.90000112.7V164 Q165 R210 E211S153-V164 WeakPolarHBondContact O-CA 3.32Å; S153-Q165 PolarHBondContact N-O 3.19Å; S153-Q165 PolarHBondContact O-N 2.85Å; S153-R210 WeakPolarHBondContact OG-CD 3.33Å; S153-R210 PolarHBondContact OG-NH1 2.96Å; S153-E211 CarbonylContact C-O 3.58Å; S153-E211 WeakPolarHBondContact CA-O 3.42Å; S153-E211 WeakPolarHBondContact CB-O 3.42Å
154Y97.2Very high94.3Very high100 Ų10059.5 Ų59.539%0.39229%0.291SS..EExtended strand (participates in β ladder)trans-134.8129.9-175.5175-94.8000111.7R163 V164 R210 E211Y154-R163 CarbonylContact C-O 3.47Å; Y154-R163 VanDerWaalsContact CA-O 3.3Å; Y154-R163 WeakPolarHBondContact CA-O 3.43Å; Y154-R163 HydrophobicContact CD2-CG 4.25Å; Y154-R163 HydrophobicContact CE2-CG 3.9Å; Y154-R163 PolarHBondContact OH-NE 2.98Å; Y154-R163 PolarHBondContact OH-NH2 3.49Å; Y154-V164 HydrophobicContact CD2-CG2 4.1Å; Y154-R210 CarbonylContact O-C 3.57Å; Y154-R210 WeakPolarHBondContact O-CA 3.28Å; Y154-E211 PolarHBondContact N-O 3.16Å; Y154-E211 PolarHBondContact O-N 3.48Å
155C96.9Very high94.5Very high0 Ų061.3 Ų61.30%030%0.299CS..EExtended strand (participates in β ladder)trans-91.9134.7175.1-1710000111.9N157 C160 R163 L209C155-N157 PolarHBondContact O-N 2.79Å; C155-N157 PolarHBondContact SG-N 2.82Å; C155-N157 VanDerWaalsContact SG-N 3.44Å; C155-C160 HydrophobicContact CB-CB 4.02Å; C155-R163 HydrophobicContact CB-CG 4.46Å; C155-R163 PolarHBondContact N-O 3.42Å; C155-R163 WeakPolarHBondContact O-CG 3.3Å; C155-L209 CarbonylContact C-O 3.57Å; C155-L209 WeakPolarHBondContact CA-O 3.35Å
156S96.8Very high94.8Very high73 Ų7362 Ų6251%0.5130%0.299SS..SBendtrans-66.8-21.7175.766.60000113.6W158 L209S156-W158 PolarHBondContact O-N 3.23Å; S156-L209 PolarHBondContact N-O 2.78Å; S156-L209 PolarHBondContact OG-N 2.99Å; S156-L209 VanDerWaalsContact OG-N 3.11Å; S156-L209 PolarHBondContact OG-O 2.7Å
157N95.4Very high95Very high43 Ų4365 Ų6523%0.2332%0.315CS..  trans-80.7112175.2-173.8-10.6000110.4C155 R159 C160 C206C155-N157 PolarHBondContact O-N 2.79Å; C155-N157 PolarHBondContact SG-N 2.82Å; C155-N157 VanDerWaalsContact SG-N 3.44Å; N157-R159 PolarHBondContact O-N 3.45Å; N157-R159 PolarHBondContact OD1-N 3.18Å; N157-C160 HydrophobicContact CB-CB 4.37Å; N157-C160 WeakPolarHBondContact O-CB 3.02Å; N157-C160 PolarHBondContact O-N 3.04Å; N157-C206 VanDerWaalsContact CB-SG 3.6Å; N157-C206 PolarHBondContact ND2-O 3.45Å
158W91.6Very high95.1Very high165 Ų16570.1 Ų70.163%0.62534%0.339SS*.THydrogen-bonded Turntrans-64.6-19-179.564.5-91.2000114.6S156S156-W158 PolarHBondContact O-N 3.23Å
159R93.8Very high95Very high184 Ų18472.5 Ų72.569%0.69435%0.35SS*.THydrogen-bonded Turntrans-90.3-2.6175.2-63-172.9-179.3-176.1-0.2113.5N157 P161N157-R159 PolarHBondContact O-N 3.45Å; N157-R159 PolarHBondContact OD1-N 3.18Å; R159-P161 WeakPolarHBondContact O-CD 3.44Å
160C94.6Very high94.7Very high9 Ų979 Ų796%0.06138%0.375CS..  trans-60.6122.8177.6-175.90000109.2C155 N157 T162 R163C155-C160 HydrophobicContact CB-CB 4.02Å; N157-C160 HydrophobicContact CB-CB 4.37Å; N157-C160 WeakPolarHBondContact O-CB 3.02Å; N157-C160 PolarHBondContact O-N 3.04Å; C160-T162 PolarHBondContact O-N 3.45Å; C160-R163 HydrophobicContact CB-CB 4.17Å; C160-R163 WeakPolarHBondContact O-CB 3.25Å; C160-R163 PolarHBondContact O-N 3.36Å; C160-R163 VanDerWaalsContact O-N 3.15Å
161P92.9Very high94.2Very high102 Ų10278.2 Ų78.266%0.66237%0.371SS*.THydrogen-bonded Turntrans-60.9-31178.224.6-35.6000112R159 E203R159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-E203 HydrophobicContact CG-CG 3.7Å
162T93.5Very high93.7Very high43 Ų4377.9 Ų77.926%0.26437%0.37SS..THydrogen-bonded Turntrans-106.642177.259.40000111C160 V164 Q165 E203 R210C160-T162 PolarHBondContact O-N 3.45Å; T162-V164 VanDerWaalsContact C-N 3.25Å; T162-V164 PolarHBondContact O-N 3.04Å; T162-Q165 WeakPolarHBondContact O-CG 3.43Å; T162-Q165 PolarHBondContact OG1-NE2 3.38Å; T162-E203 WeakPolarHBondContact CG2-OE2 3.46Å; T162-E203 PolarHBondContact OG1-OE2 3.24Å; T162-R210 PolarHBondContact O-NH1 3.11Å; T162-R210 PolarHBondContact O-NH2 2.97Å
163R94.3Very high93.1Very high91 Ų9174.7 Ų74.734%0.34336%0.357SS..SBendtrans-54.2-41.6-175.1-173.2-178.8-179.6-178.9-2.7112.7Y154 C155 C160Y154-R163 CarbonylContact C-O 3.47Å; Y154-R163 VanDerWaalsContact CA-O 3.3Å; Y154-R163 WeakPolarHBondContact CA-O 3.43Å; Y154-R163 HydrophobicContact CD2-CG 4.25Å; Y154-R163 HydrophobicContact CE2-CG 3.9Å; Y154-R163 PolarHBondContact OH-NE 2.98Å; Y154-R163 PolarHBondContact OH-NH2 3.49Å; C155-R163 HydrophobicContact CB-CG 4.46Å; C155-R163 PolarHBondContact N-O 3.42Å; C155-R163 WeakPolarHBondContact O-CG 3.3Å; C160-R163 HydrophobicContact CB-CB 4.17Å; C160-R163 WeakPolarHBondContact O-CB 3.25Å; C160-R163 PolarHBondContact O-N 3.36Å; C160-R163 VanDerWaalsContact O-N 3.15Å
164V95.5Very high92.5Very high109 Ų10974.4 Ų74.466%0.66136%0.355SS*.EExtended strand (participates in β ladder)trans-109.7133.1171-176.10000107.3S153 Y154 T162S153-V164 WeakPolarHBondContact O-CA 3.32Å; Y154-V164 HydrophobicContact CD2-CG2 4.1Å; T162-V164 VanDerWaalsContact C-N 3.25Å; T162-V164 PolarHBondContact O-N 3.04Å
165Q94.8Very high91.8Very high72 Ų7273.8 Ų73.834%0.33636%0.358SS..EExtended strand (participates in β ladder)trans-133.8151.4173-63.71770.900109.8E152 S153 T162E152-Q165 CarbonylContact C-O 3.53Å; E152-Q165 WeakPolarHBondContact CA-O 3.31Å; S153-Q165 PolarHBondContact N-O 3.19Å; S153-Q165 PolarHBondContact O-N 2.85Å; T162-Q165 WeakPolarHBondContact O-CG 3.43Å; T162-Q165 PolarHBondContact OG1-NE2 3.38Å
166E95.4Very high90.9Very high125 Ų12575.7 Ų75.758%0.58437%0.37SS*.EExtended strand (participates in β ladder)trans-124.8121.1171.8-175.5-175.5105.100107.3I150I150-E166 HydrophobicContact CD1-CG 3.4Å; I150-E166 VanDerWaalsContact CD1-CG 3.4Å; I150-E166 VanDerWaalsContact CD1-OE1 3.28Å; I150-E166 WeakPolarHBondContact CD1-OE1 3.4Å; I150-E166 HydrophobicContact CG1-CG 3.51Å
167D93.9Very high89.8Confident71 Ų7173.7 Ų73.738%0.3836%0.356SS..EExtended strand (participates in β ladder)trans-108111.8178.4177.854.2000110.3I150 Q151 Q169 R215I150-D167 CarbonylContact C-O 3.47Å; I150-D167 WeakPolarHBondContact CA-O 3.49Å; Q151-D167 PolarHBondContact N-O 2.74Å; Q151-D167 PolarHBondContact O-N 3.18Å; D167-Q169 PolarHBondContact OD2-NE2 3.43Å; D167-R215 PolarHBondContact O-NH1 3.29Å; D167-R215 IonicContact OD2-CZ 3.7Å; D167-R215 IonicContact OD2-NH1 2.77Å; D167-R215 IonicContact OD2-NH2 3.86Å; D167-R215 PolarHBondContact OD2-NH2 2.81Å
168Q94.5Very high88.5Confident107 Ų10781.4 Ų81.450%0.539%0.39SS..EExtended strand (participates in β ladder)trans-98.1126.9175.6-168.7-176.210.400110.7T149T149-Q168 CarbonylContact O-C 3.59Å; T149-Q168 WeakPolarHBondContact O-CA 3.49Å; T149-Q168 WeakPolarHBondContact O-CG 3.4Å
169Q92.1Very high87.3Confident52 Ų5281.3 Ų81.324%0.24340%0.397CS..EExtended strand (participates in β ladder)trans-118.2130.2172.8-66.1-171.48.100110.8S148 T149 D167S148-Q169 CarbonylContact C-O 3.43Å; S148-Q169 VanDerWaalsContact CA-O 3.31Å; S148-Q169 WeakPolarHBondContact CA-O 3.15Å; T149-Q169 PolarHBondContact N-O 3.41Å; T149-Q169 PolarHBondContact O-N 3.06Å; T149-Q169 PolarHBondContact OG1-O 3.37Å; D167-Q169 PolarHBondContact OD2-NE2 3.43Å
170R89.8Confident85.9Confident137 Ų13778.7 Ų78.752%0.51740%0.395SS..SBendtrans-88.8-23.4-180-63.3-173.8-177.7-171-0.6113.7E144E144-R170 WeakPolarHBondContact CA-O 3.43Å; E144-R170 HydrophobicContact CB-CB 3.92Å; E144-R170 HydrophobicContact CG-CB 3.83Å; E144-R170 VanDerWaalsContact O-O 3.09Å; E144-R170 WeakPolarHBondContact OE2-CD 3.34Å; E144-R170 IonicContact OE2-NH1 3.85Å
171T84.4Confident84.4Confident20 Ų2080.8 Ų80.812%0.12341%0.409CS..SBendtrans-127.8139.1-179.654.40000109.4E144 N173E144-T171 HydrophobicContact CG-CG2 3.84Å; T171-N173 PolarHBondContact O-N 2.92Å; T171-N173 VanDerWaalsContact O-N 3.1Å; T171-N173 PolarHBondContact OG1-ND2 3.42Å
172I86.8Confident82.9Confident3 Ų385.7 Ų85.72%0.01542%0.423CS..EExtended strand (participates in β ladder)trans-83.989.9176.3-52.7175.8000108.3I174 L193 F194 F217 V225 L227 N228I172-I174 HydrophobicContact CG2-CD1 3.59Å; I172-I174 HydrophobicContact CG2-CG1 4.03Å; I172-L193 HydrophobicContact CG2-CD2 3.85Å; I172-F194 HydrophobicContact CD1-CZ 4.14Å; I172-F194 HydrophobicContact CG2-CE2 4.08Å; I172-F217 HydrophobicContact CD1-CE1 4.03Å; I172-F217 HydrophobicContact CD1-CZ 4.39Å; I172-V225 HydrophobicContact CD1-CB 4.03Å; I172-V225 HydrophobicContact CD1-CG1 3.95Å; I172-L227 HydrophobicContact CB-CD2 4.11Å; I172-L227 HydrophobicContact CD1-CD2 4.49Å; I172-L227 HydrophobicContact CG2-CD2 3.52Å; I172-N228 PolarHBondContact O-N 2.94Å
173N85.3Confident81.6Confident55 Ų5586.4 Ų86.429%0.29444%0.438SS..EExtended strand (participates in β ladder)trans-92.6101.8175.8-63.9-43.7000108.6T171 N228T171-N173 PolarHBondContact O-N 2.92Å; T171-N173 VanDerWaalsContact O-N 3.1Å; T171-N173 PolarHBondContact OG1-ND2 3.42Å; N173-N228 WeakPolarHBondContact OD1-CB 3.16Å; N173-N228 PolarHBondContact OD1-ND2 3.32Å
174I82.8Confident80.9Confident2 Ų283.9 Ų83.91%0.0143%0.432CS..  trans-88113.6173.8-54.9-52.6000106.5I172 A189 V190 L193 L227 W232I172-I174 HydrophobicContact CG2-CD1 3.59Å; I172-I174 HydrophobicContact CG2-CG1 4.03Å; I174-A189 HydrophobicContact CG2-CB 3.24Å; I174-V190 HydrophobicContact CD1-CG2 3.75Å; I174-V190 HydrophobicContact CG1-CG2 3.93Å; I174-V190 HydrophobicContact CG2-CG2 4.31Å; I174-L193 HydrophobicContact CD1-CB 4.43Å; I174-L193 HydrophobicContact CD1-CD2 3.62Å; I174-L227 HydrophobicContact CG1-CB 4.34Å; I174-L227 HydrophobicContact CG1-CD1 4.26Å; I174-L227 HydrophobicContact CG1-CD2 4.01Å; I174-L227 HydrophobicContact CG1-CG 4.44Å; I174-W232 HydrophobicContact CG2-CZ2 3.9Å; I174-W232 PolarHBondContact O-NE1 2.82Å
175N82.1Confident80.4Confident87 Ų8779.7 Ų79.747%0.46541%0.405SS..PPolyproline II helixtrans-91.4147.8178.2-65.1-48.8000110.3A189 H231N175-A189 VanDerWaalsContact O-CB 3.27Å; N175-A189 WeakPolarHBondContact O-CB 3.36Å; N175-H231 PolarHBondContact OD1-ND1 3.2Å
176P78.6Confident80Confident40 Ų4076.3 Ų76.326%0.2639%0.389SS..PPolyproline II helixtrans-61.3137.8171.925.9-32.8000109.8W232P176-W232 HydrophobicContact CB-CD2 4.09Å; P176-W232 HydrophobicContact CB-CE3 4.03Å; P176-W232 HydrophobicContact CB-CH2 4.33Å; P176-W232 HydrophobicContact CB-CZ2 4.36Å; P176-W232 HydrophobicContact CB-CZ3 4.17Å
177P74.7Confident79.7Confident31 Ų3174.8 Ų74.820%0.20138%0.379CS..PPolyproline II helixtrans-64.9147.7179.227.4-33.5000110.8E179 L185P177-E179 VanDerWaalsContact C-N 3.33Å; P177-E179 WeakPolarHBondContact CB-O 3.42Å; P177-E179 PolarHBondContact O-N 2.95Å; P177-L185 HydrophobicContact CG-CB 4.34Å; P177-L185 HydrophobicContact CG-CD2 3.84Å
178Q67.9Low79.4Confident204 Ų20475 Ų7595%0.95338%0.379SS*.SBendtrans-69.7-31.1-176.9-67-174.5-4.500112.9
179E65.4Low79.1Confident164 Ų16470.1 Ų70.177%0.76636%0.357SS*.SBendtrans-104.3145.3168.2-65.1-177.3174.900107.9P177 P181P177-E179 VanDerWaalsContact C-N 3.33Å; P177-E179 WeakPolarHBondContact CB-O 3.42Å; P177-E179 PolarHBondContact O-N 2.95Å; E179-P181 WeakPolarHBondContact O-CD 3.22Å
180I64.2Low79.1Confident128 Ų12867.7 Ų67.766%0.65635%0.346SS*.  trans-96.287177.6-54.2174.2000107.7L185I180-L185 HydrophobicContact CG2-CD1 4.23Å; I180-L185 HydrophobicContact CG2-CD2 4.32Å
181P63.3Low79Confident54 Ų5463.4 Ų63.435%0.35133%0.333SS..  trans-66.2152.5171.327.9-34.1000109.8E179 G183 L185 L188E179-P181 WeakPolarHBondContact O-CD 3.22Å; P181-G183 PolarHBondContact O-N 2.99Å; P181-L185 HydrophobicContact CG-CD2 3.91Å; P181-L188 HydrophobicContact CB-CD1 4.24Å; P181-L188 HydrophobicContact CG-CD1 3.38Å
182H60.7Low79.3Confident205 Ų20567.8 Ų67.895%0.94935%0.352SS*.SBendtrans-64.1115.5163.6-64.5-56.1000108.7
183G66.7Low79.5Confident58 Ų5868.7 Ų68.760%0.59836%0.357SS*.SBendtrans153.5-167.6177.500000114.7P181 L185P181-G183 PolarHBondContact O-N 2.99Å; G183-L185 PolarHBondContact O-N 3.47Å
184N79.3Confident79.8Confident38 Ų3866.2 Ų66.220%0.20334%0.344CS..  trans-82.494.3177.1-176.9-20.8000110.1I186 R187 L188 Y239 P241N184-I186 VanDerWaalsContact C-N 3.32Å; N184-I186 PolarHBondContact O-N 3.34Å; N184-I186 PolarHBondContact OD1-N 2.55Å; N184-R187 HydrophobicContact CB-CB 4.01Å; N184-R187 PolarHBondContact O-N 2.89Å; N184-R187 PolarHBondContact OD1-N 3.07Å; N184-L188 WeakPolarHBondContact O-CG 3.46Å; N184-L188 PolarHBondContact O-N 3.41Å; N184-Y239 HydrophobicContact CB-CD1 4.43Å; N184-Y239 WeakPolarHBondContact ND2-CE1 3.3Å; N184-P241 WeakPolarHBondContact ND2-CB 3.33Å
185L85.3Confident80.3Confident20 Ų2068.8 Ų68.811%0.10536%0.361CS..Hα-helixtrans-60.7-37.6-174.8-59.4176.7000113.2P177 I180 P181 G183 L188 A189 W232 D236P177-L185 HydrophobicContact CG-CB 4.34Å; P177-L185 HydrophobicContact CG-CD2 3.84Å; I180-L185 HydrophobicContact CG2-CD1 4.23Å; I180-L185 HydrophobicContact CG2-CD2 4.32Å; P181-L185 HydrophobicContact CG-CD2 3.91Å; G183-L185 PolarHBondContact O-N 3.47Å; L185-L188 PolarHBondContact O-N 2.98Å; L185-A189 WeakPolarHBondContact O-CB 3.33Å; L185-A189 PolarHBondContact O-N 3.06Å; L185-W232 HydrophobicContact CB-CH2 3.82Å; L185-W232 HydrophobicContact CB-CZ3 3.8Å; L185-W232 HydrophobicContact CD1-CZ3 4.42Å; L185-D236 VanDerWaalsContact CD1-O 3.26Å; L185-D236 WeakPolarHBondContact CD1-O 3.5Å
186I87.6Confident80.8Confident1 Ų168.6 Ų68.61%0.00537%0.367CS..Hα-helixtrans-63.9-45.8177-67.9168000109.8N184 L188 A189 V190 L227 M229 W232 L237 V240 P241 L244 L302N184-I186 VanDerWaalsContact C-N 3.32Å; N184-I186 PolarHBondContact O-N 3.34Å; N184-I186 PolarHBondContact OD1-N 2.55Å; I186-L188 VanDerWaalsContact C-N 3.33Å; I186-L188 PolarHBondContact O-N 2.89Å; I186-A189 PolarHBondContact O-N 3.47Å; I186-V190 HydrophobicContact CG2-CG2 4.3Å; I186-V190 WeakPolarHBondContact O-CB 3.45Å; I186-V190 VanDerWaalsContact O-CG2 3.23Å; I186-V190 WeakPolarHBondContact O-CG2 3.49Å; I186-V190 PolarHBondContact O-N 2.86Å; I186-L227 HydrophobicContact CG2-CD1 4.39Å; I186-M229 HydrophobicContact CD1-CE 3.87Å; I186-M229 HydrophobicContact CG1-CE 4Å; I186-W232 HydrophobicContact CG1-CH2 4.06Å; I186-W232 HydrophobicContact CG1-CZ2 4.29Å; I186-W232 HydrophobicContact CG1-CZ3 4.36Å; I186-L237 HydrophobicContact CD1-CD2 3.57Å; I186-L237 HydrophobicContact CG1-CD2 4.03Å; I186-V240 HydrophobicContact CD1-CB 4.47Å; I186-V240 HydrophobicContact CD1-CG1 4.31Å; I186-V240 HydrophobicContact CD1-CG2 4.31Å; I186-P241 HydrophobicContact CB-CG 3.87Å; I186-P241 HydrophobicContact CG2-CG 3.7Å; I186-L244 HydrophobicContact CG2-CD1 4.3Å; I186-L244 HydrophobicContact CG2-CD2 4.4Å; I186-L302 HydrophobicContact CD1-CD1 3.91Å
187R87.9Confident81.6Confident94 Ų9470.5 Ų70.536%0.35537%0.371SS..Hα-helixtrans-61.7-43.1178.3-176.1168.3-178.1133.79111.5N184 A189 V190 D191 L244 D245N184-R187 HydrophobicContact CB-CB 4.01Å; N184-R187 PolarHBondContact O-N 2.89Å; N184-R187 PolarHBondContact OD1-N 3.07Å; R187-A189 PolarHBondContact O-N 3.07Å; R187-V190 WeakPolarHBondContact O-CB 3.33Å; R187-V190 PolarHBondContact O-N 3.38Å; R187-D191 WeakPolarHBondContact O-CB 3.5Å; R187-D191 PolarHBondContact O-N 3.24Å; R187-L244 HydrophobicContact CB-CD2 4.32Å; R187-D245 IonicContact CZ-OD2 2.68Å; R187-D245 IonicContact NH1-OD2 3.54Å; R187-D245 IonicContact NH2-OD2 3.5Å; R187-D245 PolarHBondContact NH2-OD2 3.1Å
188L87.6Confident82.5Confident75 Ų7574.5 Ų74.539%0.39339%0.39SS..Hα-helixtrans-62-44.1177.3-70.1171.7000112.5P181 N184 L185 I186 V190 D191 E192P181-L188 HydrophobicContact CB-CD1 4.24Å; P181-L188 HydrophobicContact CG-CD1 3.38Å; N184-L188 WeakPolarHBondContact O-CG 3.46Å; N184-L188 PolarHBondContact O-N 3.41Å; L185-L188 PolarHBondContact O-N 2.98Å; I186-L188 VanDerWaalsContact C-N 3.33Å; I186-L188 PolarHBondContact O-N 2.89Å; L188-V190 VanDerWaalsContact C-N 3.31Å; L188-V190 PolarHBondContact O-N 2.71Å; L188-D191 PolarHBondContact O-N 2.92Å; L188-E192 WeakPolarHBondContact O-CB 3.06Å; L188-E192 PolarHBondContact O-N 2.91Å
189A88.9Confident83.7Confident5 Ų566.1 Ų66.14%0.04136%0.357CS..Hα-helixtrans-69.4-31.1178.400000112.4I174 N175 L185 I186 R187 L193 W232I174-A189 HydrophobicContact CG2-CB 3.24Å; N175-A189 VanDerWaalsContact O-CB 3.27Å; N175-A189 WeakPolarHBondContact O-CB 3.36Å; L185-A189 WeakPolarHBondContact O-CB 3.33Å; L185-A189 PolarHBondContact O-N 3.06Å; I186-A189 PolarHBondContact O-N 3.47Å; R187-A189 PolarHBondContact O-N 3.07Å; A189-L193 PolarHBondContact O-N 3.29Å; A189-W232 HydrophobicContact CB-CH2 4.49Å; A189-W232 HydrophobicContact CB-CZ2 4.16Å
190V90.9Very high85.1Confident0 Ų064.7 Ų64.70%036%0.355CS..Hα-helixtrans-67-47.8169.7165.10000111.1I174 I186 R187 L188 E192 L193 F194 L227 L244 L246I174-V190 HydrophobicContact CD1-CG2 3.75Å; I174-V190 HydrophobicContact CG1-CG2 3.93Å; I174-V190 HydrophobicContact CG2-CG2 4.31Å; I186-V190 HydrophobicContact CG2-CG2 4.3Å; I186-V190 WeakPolarHBondContact O-CB 3.45Å; I186-V190 VanDerWaalsContact O-CG2 3.23Å; I186-V190 WeakPolarHBondContact O-CG2 3.49Å; I186-V190 PolarHBondContact O-N 2.86Å; R187-V190 WeakPolarHBondContact O-CB 3.33Å; R187-V190 PolarHBondContact O-N 3.38Å; L188-V190 VanDerWaalsContact C-N 3.31Å; L188-V190 PolarHBondContact O-N 2.71Å; V190-E192 VanDerWaalsContact C-N 3.27Å; V190-E192 PolarHBondContact O-N 2.51Å; V190-L193 PolarHBondContact O-N 2.98Å; V190-F194 HydrophobicContact CG1-CD2 4.29Å; V190-F194 PolarHBondContact O-N 3.36Å; V190-L227 HydrophobicContact CG2-CD1 4.33Å; V190-L244 HydrophobicContact CG2-CD1 4.14Å; V190-L244 HydrophobicContact CG2-CD2 4.28Å; V190-L246 HydrophobicContact CG1-CD2 3.31Å; V190-L246 HydrophobicContact CG2-CD2 4.42Å
191D89.5Confident86.5Confident47 Ų4759.2 Ų59.225%0.25133%0.327SS..Hα-helixtrans-61.1-38.9178-68.7-18.6000110.3R187 L188 L193 F194 C195R187-D191 WeakPolarHBondContact O-CB 3.5Å; R187-D191 PolarHBondContact O-N 3.24Å; L188-D191 PolarHBondContact O-N 2.92Å; D191-L193 PolarHBondContact O-N 3.31Å; D191-F194 PolarHBondContact O-N 3.46Å; D191-C195 WeakPolarHBondContact O-CB 3.47Å; D191-C195 PolarHBondContact O-N 3.3Å
192E89.4Confident87.9Confident112 Ų11265.7 Ų65.752%0.52335%0.353SS..Hα-helixtrans-60.6-33.4175.3-176.7178.4-179.200113L188 V190 K197L188-E192 WeakPolarHBondContact O-CB 3.06Å; L188-E192 PolarHBondContact O-N 2.91Å; V190-E192 VanDerWaalsContact C-N 3.27Å; V190-E192 PolarHBondContact O-N 2.51Å; E192-K197 PolarHBondContact O-NZ 2.97Å
193L91Very high89.5Confident22 Ų2259 Ų5912%0.11532%0.322CS..Hα-helixtrans-84-39.5-179.9-177.460.2000112.6I172 I174 A189 V190 D191 R215I172-L193 HydrophobicContact CG2-CD2 3.85Å; I174-L193 HydrophobicContact CD1-CB 4.43Å; I174-L193 HydrophobicContact CD1-CD2 3.62Å; A189-L193 PolarHBondContact O-N 3.29Å; V190-L193 PolarHBondContact O-N 2.98Å; D191-L193 PolarHBondContact O-N 3.31Å; L193-R215 WeakPolarHBondContact O-CB 3.35Å; L193-R215 WeakPolarHBondContact O-CD 3.37Å; L193-R215 PolarHBondContact O-NE 3.41Å; L193-R215 VanDerWaalsContact O-NE 3.15Å
194F92.9Very high90.6Very high3 Ų365 Ų651%0.01333%0.334CS..Hα-helixtrans-100.1-31.4-170.1-83-90.3000115.2T149 I172 V190 D191 Q214 R215 F217 L246T149-F194 HydrophobicContact CG2-CE1 4.14Å; T149-F194 HydrophobicContact CG2-CZ 4.06Å; I172-F194 HydrophobicContact CD1-CZ 4.14Å; I172-F194 HydrophobicContact CG2-CE2 4.08Å; V190-F194 HydrophobicContact CG1-CD2 4.29Å; V190-F194 PolarHBondContact O-N 3.36Å; D191-F194 PolarHBondContact O-N 3.46Å; F194-Q214 WeakPolarHBondContact O-CA 3.27Å; F194-Q214 WeakPolarHBondContact O-CG 3.22Å; F194-R215 HydrophobicContact CD1-CB 4.03Å; F194-R215 HydrophobicContact CD1-CG 4.27Å; F194-R215 HydrophobicContact CE1-CG 4.32Å; F194-R215 HydrophobicContact CG-CB 4.45Å; F194-R215 PolarHBondContact O-N 3.32Å; F194-F217 HydrophobicContact CE1-CE2 4.17Å; F194-F217 HydrophobicContact CE1-CZ 4.02Å; F194-F217 HydrophobicContact CZ-CE1 4.4Å; F194-F217 HydrophobicContact CZ-CZ 4.03Å; F194-L246 HydrophobicContact CD1-CB 4.48Å; F194-L246 HydrophobicContact CD2-CD2 3.96Å; F194-L246 HydrophobicContact CE1-CB 4.25Å; F194-L246 HydrophobicContact CE2-CD2 3.83Å; F194-L246 HydrophobicContact CZ-CB 4.29Å; F194-L246 HydrophobicContact CZ-CD2 4.33Å
195C92.1Very high91Very high56 Ų5666.9 Ų66.938%0.37836%0.363SS..SBendtrans-78.7152.3-176.4-65.60000111.9D191D191-C195 WeakPolarHBondContact O-CB 3.47Å; D191-C195 PolarHBondContact O-N 3.3Å
196S93.4Very high91.4Very high84 Ų8466.7 Ų66.759%0.58736%0.363SS*.  trans-60.4137.6168.357.70000110.1F212S196-F212 VanDerWaalsContact CA-O 3.23Å; S196-F212 WeakPolarHBondContact CA-O 3.42Å; S196-F212 WeakPolarHBondContact CB-O 3.46Å
197K93.8Very high91.5Very high80 Ų8070.3 Ų70.335%0.34840%0.4SS..EExtended strand (participates in β ladder)trans-145.9161.717866.2-174.3179.9-168.40111.5E192 F212E192-K197 PolarHBondContact O-NZ 2.97Å; K197-F212 HydrophobicContact CG-CB 4Å; K197-F212 HydrophobicContact CG-CD2 3.86Å; K197-F212 HydrophobicContact CG-CG 4.14Å; K197-F212 PolarHBondContact N-O 2.79Å; K197-F212 PolarHBondContact O-N 3.27Å
198I95.2Very high91.8Very high115 Ų11566.2 Ų66.259%0.5939%0.387SS*.EExtended strand (participates in β ladder)trans-119.6126.4172.7-59.5174000107.4L209 R210 E211I198-L209 HydrophobicContact CG2-CB 4.12Å; I198-L209 HydrophobicContact CG2-CD2 4.41Å; I198-R210 CarbonylContact C-O 3.59Å; I198-R210 WeakPolarHBondContact CA-O 2.83Å; I198-E211 HydrophobicContact CG1-CB 4.35Å; I198-E211 HydrophobicContact CG1-CG 4.2Å
199G93.1Very high92.3Very high27 Ų2767.2 Ų67.228%0.27839%0.393SS..EExtended strand (participates in β ladder)trans-128.4178.5177.900000112L209 R210G199-L209 CarbonylContact O-C 3.57Å; G199-L209 WeakPolarHBondContact O-CA 3.35Å; G199-R210 PolarHBondContact N-O 2.8Å; G199-R210 PolarHBondContact O-N 2.71Å
200L94.3Very high92.6Very high135 Ų13567.3 Ų67.371%0.70739%0.392SS*.EExtended strand (participates in β ladder)trans-75.9140.6168-68.1171.2000109.4E202 L209L200-E202 PolarHBondContact O-N 3.06Å; L200-L209 HydrophobicContact CD2-CD2 4.21Å
201C93.8Very high92.9Very high12 Ų1272.9 Ų72.98%0.08142%0.418CS..  trans-69121.4173.3-171.70000109.8E203 C206 G208 R210C201-E203 PolarHBondContact O-N 3.16Å; C201-E203 VanDerWaalsContact SG-CB 3.59Å; C201-C206 HydrophobicContact CB-CB 4.25Å; C201-G208 VanDerWaalsContact CB-O 3.28Å; C201-G208 WeakPolarHBondContact CB-O 3.44Å; C201-G208 PolarHBondContact N-O 3.05Å; C201-R210 HydrophobicContact CB-CB 4.34Å; C201-R210 PolarHBondContact SG-NH2 3.37Å
202E92.9Very high93.3Very high190 Ų19072.8 Ų72.889%0.88842%0.415SS*.  trans-73-10.2-179.6-60.1-175.7166.300113.4L200 H204L200-E202 PolarHBondContact O-N 3.06Å; E202-H204 PolarHBondContact O-N 3.41Å
203E93.1Very high93.6Very high65 Ų6569.6 Ų69.630%0.30441%0.405SS..SBendtrans-63126.4177.9-171.766.7-129.600110.8P161 T162 C201 G205 C206P161-E203 HydrophobicContact CG-CG 3.7Å; T162-E203 WeakPolarHBondContact CG2-OE2 3.46Å; T162-E203 PolarHBondContact OG1-OE2 3.24Å; C201-E203 PolarHBondContact O-N 3.16Å; C201-E203 VanDerWaalsContact SG-CB 3.59Å; E203-G205 PolarHBondContact O-N 2.61Å; E203-C206 HydrophobicContact CB-CB 3.83Å; E203-C206 HydrophobicContact CG-CB 4.32Å; E203-C206 WeakPolarHBondContact O-CB 3.34Å; E203-C206 PolarHBondContact O-N 2.86Å
204H89.8Confident93.8Very high184 Ų18471.7 Ų71.785%0.85242%0.415SS*.THydrogen-bonded Turntrans-59.4122.9-170.4-173.9-74.7000111.7E202 C206E202-H204 PolarHBondContact O-N 3.41Å; H204-C206 PolarHBondContact O-N 2.98Å
205G88.8Confident93.9Very high78 Ų7871.7 Ų71.780%0.80442%0.415SS*.THydrogen-bonded Turntrans74.17.5-179.800000114.9E203E203-G205 PolarHBondContact O-N 2.61Å
206C93.4Very high94.1Very high15 Ų1572 Ų7210%0.10142%0.415CS..  trans-72.4-45.5178.7-176.40000112.4N157 C201 E203 H204 G208N157-C206 VanDerWaalsContact CB-SG 3.6Å; N157-C206 PolarHBondContact ND2-O 3.45Å; C201-C206 HydrophobicContact CB-CB 4.25Å; E203-C206 HydrophobicContact CB-CB 3.83Å; E203-C206 HydrophobicContact CG-CB 4.32Å; E203-C206 WeakPolarHBondContact O-CB 3.34Å; E203-C206 PolarHBondContact O-N 2.86Å; H204-C206 PolarHBondContact O-N 2.98Å; C206-G208 PolarHBondContact O-N 3.29Å
207G90.3Very high94.2Very high77 Ų7768.8 Ų68.879%0.79439%0.39SS*.  trans58.311.5-179.800000115.4
208G93.9Very high94.2Very high8 Ų867.1 Ų67.18%0.08239%0.388CS..  trans-88.5164.3-17800000112C201 C206C201-G208 VanDerWaalsContact CB-O 3.28Å; C201-G208 WeakPolarHBondContact CB-O 3.44Å; C201-G208 PolarHBondContact N-O 3.05Å; C206-G208 PolarHBondContact O-N 3.29Å
209L96.9Very high93.9Very high97 Ų9767.4 Ų67.451%0.50839%0.386SS..EExtended strand (participates in β ladder)trans-83.2141.3167.9-64175.5000108.9C155 S156 I198 G199 L200C155-L209 CarbonylContact C-O 3.57Å; C155-L209 WeakPolarHBondContact CA-O 3.35Å; S156-L209 PolarHBondContact N-O 2.78Å; S156-L209 PolarHBondContact OG-N 2.99Å; S156-L209 VanDerWaalsContact OG-N 3.11Å; S156-L209 PolarHBondContact OG-O 2.7Å; I198-L209 HydrophobicContact CG2-CB 4.12Å; I198-L209 HydrophobicContact CG2-CD2 4.41Å; G199-L209 CarbonylContact O-C 3.57Å; G199-L209 WeakPolarHBondContact O-CA 3.35Å; L200-L209 HydrophobicContact CD2-CD2 4.21Å
210R96.7Very high93.8Very high6 Ų668.1 Ų68.12%0.02339%0.394CS..EExtended strand (participates in β ladder)trans-115.2120.5173.7-178.7171.7-70.4-79.6-0.9109S153 Y154 T162 I198 G199 C201 F212S153-R210 WeakPolarHBondContact OG-CD 3.33Å; S153-R210 PolarHBondContact OG-NH1 2.96Å; Y154-R210 CarbonylContact O-C 3.57Å; Y154-R210 WeakPolarHBondContact O-CA 3.28Å; T162-R210 PolarHBondContact O-NH1 3.11Å; T162-R210 PolarHBondContact O-NH2 2.97Å; I198-R210 CarbonylContact C-O 3.59Å; I198-R210 WeakPolarHBondContact CA-O 2.83Å; G199-R210 PolarHBondContact N-O 2.8Å; G199-R210 PolarHBondContact O-N 2.71Å; C201-R210 HydrophobicContact CB-CB 4.34Å; C201-R210 PolarHBondContact SG-NH2 3.37Å; R210-F212 HydrophobicContact CB-CE2 4.07Å; R210-F212 HydrophobicContact CB-CZ 4.43Å; R210-F212 VanDerWaalsContact CD-CZ 3.46Å; R210-F212 HydrophobicContact CG-CD2 4.24Å; R210-F212 HydrophobicContact CG-CE1 4.35Å; R210-F212 HydrophobicContact CG-CE2 3.72Å; R210-F212 HydrophobicContact CG-CZ 3.79Å
211E97.1Very high93.7Very high118 Ų11862.3 Ų62.355%0.55137%0.366SS*.EExtended strand (participates in β ladder)trans-93.1127.9174.4-175.7173.4-17200108.8S153 Y154 I198S153-E211 CarbonylContact C-O 3.58Å; S153-E211 WeakPolarHBondContact CA-O 3.42Å; S153-E211 WeakPolarHBondContact CB-O 3.42Å; Y154-E211 PolarHBondContact N-O 3.16Å; Y154-E211 PolarHBondContact O-N 3.48Å; I198-E211 HydrophobicContact CG1-CB 4.35Å; I198-E211 HydrophobicContact CG1-CG 4.2Å
212F96.6Very high93.8Very high44 Ų4462 Ų6219%0.19336%0.363CS..EExtended strand (participates in β ladder)trans-106.5127.5176.7-62.2-98.1000108.1S196 K197 R210S196-F212 VanDerWaalsContact CA-O 3.23Å; S196-F212 WeakPolarHBondContact CA-O 3.42Å; S196-F212 WeakPolarHBondContact CB-O 3.46Å; K197-F212 HydrophobicContact CG-CB 4Å; K197-F212 HydrophobicContact CG-CD2 3.86Å; K197-F212 HydrophobicContact CG-CG 4.14Å; K197-F212 PolarHBondContact N-O 2.79Å; K197-F212 PolarHBondContact O-N 3.27Å; R210-F212 HydrophobicContact CB-CE2 4.07Å; R210-F212 HydrophobicContact CB-CZ 4.43Å; R210-F212 VanDerWaalsContact CD-CZ 3.46Å; R210-F212 HydrophobicContact CG-CD2 4.24Å; R210-F212 HydrophobicContact CG-CE1 4.35Å; R210-F212 HydrophobicContact CG-CE2 3.72Å; R210-F212 HydrophobicContact CG-CZ 3.79Å
213S96.1Very high93.8Very high45 Ų4553 Ų5332%0.31532%0.322SS..PPolyproline II helixtrans-64.7166.5170.460.20000111.2Q151 E152 R215Q151-S213 WeakPolarHBondContact CG-O 3.5Å; Q151-S213 PolarHBondContact NE2-O 2.8Å; E152-S213 PolarHBondContact N-OG 2.76Å; E152-S213 WeakPolarHBondContact O-CB 3.32Å; E152-S213 PolarHBondContact O-N 3.2Å; E152-S213 PolarHBondContact O-OG 2.58Å; S213-R215 PolarHBondContact O-N 2.66Å
214Q95.1Very high93.9Very high67 Ų6750.1 Ų50.131%0.31331%0.308SS..PPolyproline II helixtrans-62134.9167.3-169.3-174.115.700109.1F194 S247 D248F194-Q214 WeakPolarHBondContact O-CA 3.27Å; F194-Q214 WeakPolarHBondContact O-CG 3.22Å; Q214-S247 PolarHBondContact NE2-O 3.44Å; Q214-D248 PolarHBondContact NE2-OD1 3.48Å; Q214-D248 PolarHBondContact OE1-OD1 3.38Å
215R95.9Very high94.1Very high3 Ų341.3 Ų41.31%0.01127%0.267CS..PPolyproline II helixtrans-73.4137.9176-176.2172.5-72.3-83.7-2.9109.7T149 I150 Q151 D167 L193 F194 S213 S247T149-R215 HydrophobicContact CG2-CG 4.32Å; T149-R215 WeakPolarHBondContact OG1-CD 3.44Å; T149-R215 PolarHBondContact OG1-NH1 2.73Å; I150-R215 WeakPolarHBondContact O-CA 3.18Å; Q151-R215 HydrophobicContact CB-CB 4.2Å; Q151-R215 HydrophobicContact CB-CG 4.27Å; Q151-R215 HydrophobicContact CG-CB 4.49Å; D167-R215 PolarHBondContact O-NH1 3.29Å; D167-R215 IonicContact OD2-CZ 3.7Å; D167-R215 IonicContact OD2-NH1 2.77Å; D167-R215 IonicContact OD2-NH2 3.86Å; D167-R215 PolarHBondContact OD2-NH2 2.81Å; L193-R215 WeakPolarHBondContact O-CB 3.35Å; L193-R215 WeakPolarHBondContact O-CD 3.37Å; L193-R215 PolarHBondContact O-NE 3.41Å; L193-R215 VanDerWaalsContact O-NE 3.15Å; F194-R215 HydrophobicContact CD1-CB 4.03Å; F194-R215 HydrophobicContact CD1-CG 4.27Å; F194-R215 HydrophobicContact CE1-CG 4.32Å; F194-R215 HydrophobicContact CG-CB 4.45Å; F194-R215 PolarHBondContact O-N 3.32Å; S213-R215 PolarHBondContact O-N 2.66Å; R215-S247 VanDerWaalsContact O-CB 3.31Å; R215-S247 WeakPolarHBondContact O-CB 3.21Å; R215-S247 PolarHBondContact O-OG 3.18Å
216V95.4Very high94.4Very high62 Ų6237.7 Ų37.738%0.37623%0.229SC..EExtended strand (participates in β ladder)trans-128.2156.8-178.1-60.40000111.2T149 I150T149-V216 CarbonylContact C-O 3.59Å; T149-V216 WeakPolarHBondContact CA-O 3.43Å; T149-V216 WeakPolarHBondContact CB-O 3.25Å; I150-V216 HydrophobicContact CG2-CG2 3.53Å; I150-V216 PolarHBondContact N-O 3.36Å; I150-V216 PolarHBondContact O-N 2.79Å
217F95.1Very high94.3Very high17 Ų1737 Ų378%0.07523%0.225CC..EExtended strand (participates in β ladder)trans-78.1134.5175.5-67.3-78.9000111.3S148 T149 I172 F194 H219 G220 A221 P222 V225 L246 Y251S148-F217 WeakPolarHBondContact O-CA 3.48Å; T149-F217 HydrophobicContact CG2-CD1 3.66Å; T149-F217 HydrophobicContact CG2-CE1 3.85Å; T149-F217 HydrophobicContact CG2-CG 4.36Å; I172-F217 HydrophobicContact CD1-CE1 4.03Å; I172-F217 HydrophobicContact CD1-CZ 4.39Å; F194-F217 HydrophobicContact CE1-CE2 4.17Å; F194-F217 HydrophobicContact CE1-CZ 4.02Å; F194-F217 HydrophobicContact CZ-CE1 4.4Å; F194-F217 HydrophobicContact CZ-CZ 4.03Å; F217-H219 VanDerWaalsContact C-N 3.26Å; F217-H219 PolarHBondContact O-N 3.2Å; F217-G220 WeakPolarHBondContact CB-O 3.46Å; F217-G220 PolarHBondContact O-N 3.1Å; F217-A221 HydrophobicContact CD2-CB 4.28Å; F217-P222 VanDerWaalsContact CD1-CD 3.48Å; F217-P222 HydrophobicContact CD1-CG 4.07Å; F217-P222 HydrophobicContact CE1-CG 3.88Å; F217-P222 HydrophobicContact CZ-CG 4.29Å; F217-V225 HydrophobicContact CE1-CG1 4.06Å; F217-V225 HydrophobicContact CZ-CG1 3.96Å; F217-L246 HydrophobicContact CE2-CB 4.2Å; F217-L246 HydrophobicContact CZ-CB 4.2Å; F217-L246 HydrophobicContact CZ-CD1 4.42Å; F217-Y251 HydrophobicContact CE2-CE2 4.36Å
218C93.7Very high94.2Very high45 Ų4534.1 Ų34.130%0.30419%0.191SC..THydrogen-bonded Turntrans-64.3-28-176-66.10000113.7S148S148-C218 PolarHBondContact O-N 3.05Å; S148-C218 WeakPolarHBondContact OG-CB 3.5Å
219H90.9Very high93.7Very high120 Ų12033.8 Ų33.856%0.55619%0.187SC*.THydrogen-bonded Turntrans-120.823.8-174.7-58.5-59.8000113.1N145 F217N145-H219 PolarHBondContact O-CD2 2.88Å; N145-H219 VanDerWaalsContact O-CD2 3.29Å; F217-H219 VanDerWaalsContact C-N 3.26Å; F217-H219 PolarHBondContact O-N 3.2Å
220G90.9Very high92.8Very high43 Ų4334.4 Ų34.444%0.44319%0.188SC..SBendtrans81.5167.7-168.300000111.9F217 P222F217-G220 WeakPolarHBondContact CB-O 3.46Å; F217-G220 PolarHBondContact O-N 3.1Å; G220-P222 WeakPolarHBondContact O-CD 3.3Å
221A92.3Very high92Very high13 Ų1339.8 Ų39.811%0.10721%0.213CC..SBendtrans-62.6121.3-178.100000110.6F217 H249 R306F217-A221 HydrophobicContact CD2-CB 4.28Å; A221-H249 HydrophobicContact CB-CB 4.23Å; A221-H249 WeakPolarHBondContact CB-CD2 3.08Å; A221-H249 VanDerWaalsContact CB-CG 3.49Å; A221-H249 WeakPolarHBondContact CB-NE2 3.45Å; A221-R306 PolarHBondContact O-NH1 3.02Å
222P94.1Very high91.1Very high4 Ų435 Ų353%0.02619%0.19CC..  trans-69.1158-179.129.1-37.7000112.2L146 F217 G220 F224 V225 Y251L146-P222 HydrophobicContact CD1-CB 3.79Å; L146-P222 HydrophobicContact CD2-CB 4.38Å; L146-P222 HydrophobicContact CG-CB 3.77Å; F217-P222 VanDerWaalsContact CD1-CD 3.48Å; F217-P222 HydrophobicContact CD1-CG 4.07Å; F217-P222 HydrophobicContact CE1-CG 3.88Å; F217-P222 HydrophobicContact CZ-CG 4.29Å; G220-P222 WeakPolarHBondContact O-CD 3.3Å; P222-F224 WeakPolarHBondContact CB-O 3.26Å; P222-F224 PolarHBondContact O-N 3.42Å; P222-V225 HydrophobicContact CG-CG1 3.55Å; P222-Y251 VanDerWaalsContact CD-OH 3.25Å; P222-Y251 WeakPolarHBondContact CD-OH 3.23Å; P222-Y251 PolarHBondContact O-OH 2.98Å
223P94.4Very high90.1Very high3 Ų339 Ų392%0.01921%0.207CC..SBendtrans-62.7-28.6176.625.3-33.1000112.3F76 L80 I305 R306F76-P223 HydrophobicContact CB-CB 4.22Å; F76-P223 HydrophobicContact CD1-CB 3.57Å; F76-P223 HydrophobicContact CD2-CB 3.85Å; F76-P223 HydrophobicContact CE1-CB 3.79Å; F76-P223 HydrophobicContact CE2-CB 4.07Å; F76-P223 VanDerWaalsContact CE2-O 3.31Å; F76-P223 WeakPolarHBondContact CE2-O 3.44Å; F76-P223 HydrophobicContact CG-CB 3.61Å; F76-P223 HydrophobicContact CZ-CB 4.04Å; F76-P223 VanDerWaalsContact CZ-O 3.3Å; F76-P223 WeakPolarHBondContact CZ-O 3.4Å; L80-P223 HydrophobicContact CD1-CG 4.36Å; P223-I305 CarbonylContact O-C 3.59Å; P223-I305 WeakPolarHBondContact O-CA 3.42Å; P223-R306 PolarHBondContact O-N 3.31Å
224F94.7Very high88.8Confident3 Ų339.3 Ų39.31%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-149158.2172.767.9-87.6000110.7L66 I69 L80 L143 L146 P222 V226 V303 Y304 I305L66-F224 HydrophobicContact CD1-CE1 4.08Å; L66-F224 HydrophobicContact CD1-CZ 4.13Å; I69-F224 HydrophobicContact CD1-CG 4.49Å; I69-F224 HydrophobicContact CG2-CD1 4.21Å; L80-F224 HydrophobicContact CD1-CE1 3.84Å; L80-F224 HydrophobicContact CD1-CZ 4.41Å; L80-F224 HydrophobicContact CD2-CE1 4.12Å; L143-F224 HydrophobicContact CD1-CE2 3.94Å; L143-F224 HydrophobicContact CD2-CE2 3.98Å; L143-F224 HydrophobicContact CD2-CZ 3.77Å; L146-F224 HydrophobicContact CD2-CE1 4.16Å; L146-F224 HydrophobicContact CD2-CE2 4.49Å; L146-F224 HydrophobicContact CD2-CZ 4.03Å; P222-F224 WeakPolarHBondContact CB-O 3.26Å; P222-F224 PolarHBondContact O-N 3.42Å; F224-V226 HydrophobicContact CD2-CG2 4.37Å; F224-V226 HydrophobicContact CE2-CG2 4.34Å; F224-V303 HydrophobicContact CD2-CG1 4.22Å; F224-Y304 CarbonylContact C-O 3.58Å; F224-Y304 WeakPolarHBondContact CA-O 3.37Å; F224-Y304 WeakPolarHBondContact CB-O 3.17Å; F224-I305 HydrophobicContact CB-CG2 4Å
225V94.4Very high87.6Confident0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-128.9150.5175.6-660000110I172 F217 P222 L246 Y251 V303 Y304I172-V225 HydrophobicContact CD1-CB 4.03Å; I172-V225 HydrophobicContact CD1-CG1 3.95Å; F217-V225 HydrophobicContact CE1-CG1 4.06Å; F217-V225 HydrophobicContact CZ-CG1 3.96Å; P222-V225 HydrophobicContact CG-CG1 3.55Å; V225-L246 HydrophobicContact CB-CD1 4.3Å; V225-L246 HydrophobicContact CG1-CD1 4.12Å; V225-L246 HydrophobicContact CG2-CD1 3.54Å; V225-Y251 HydrophobicContact CG1-CD1 4.43Å; V225-Y251 HydrophobicContact CG1-CE1 3.84Å; V225-Y251 HydrophobicContact CG2-CD1 3.85Å; V225-Y251 HydrophobicContact CG2-CE1 4.1Å; V225-Y251 HydrophobicContact CG2-CG 4.41Å; V225-V303 WeakPolarHBondContact O-CA 3.43Å; V225-Y304 PolarHBondContact N-O 2.92Å; V225-Y304 PolarHBondContact O-N 2.82Å
226V93.6Very high86.3Confident1 Ų146.3 Ų46.31%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-114.7117.6174-175.40000107.9T140 L143 M147 F224 L302 V303T140-V226 HydrophobicContact CG2-CG1 4.44Å; L143-V226 HydrophobicContact CD1-CG2 3.72Å; M147-V226 HydrophobicContact CE-CB 4.32Å; M147-V226 HydrophobicContact SD-CB 3.86Å; M147-V226 HydrophobicContact SD-CG2 4.13Å; M147-V226 PolarHBondContact SD-N 3.24Å; F224-V226 HydrophobicContact CD2-CG2 4.37Å; F224-V226 HydrophobicContact CE2-CG2 4.34Å; V226-L302 CarbonylContact C-O 3.58Å; V226-L302 WeakPolarHBondContact CA-O 3.4Å; V226-V303 HydrophobicContact CG2-CG2 4.33Å
227L91.6Very high85.1Confident0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-89.1118.1170.3-51.4-173.9000108.1I172 I174 I186 V190 M229 L244 S301 L302 Y304I172-L227 HydrophobicContact CB-CD2 4.11Å; I172-L227 HydrophobicContact CD1-CD2 4.49Å; I172-L227 HydrophobicContact CG2-CD2 3.52Å; I174-L227 HydrophobicContact CG1-CB 4.34Å; I174-L227 HydrophobicContact CG1-CD1 4.26Å; I174-L227 HydrophobicContact CG1-CD2 4.01Å; I174-L227 HydrophobicContact CG1-CG 4.44Å; I186-L227 HydrophobicContact CG2-CD1 4.39Å; V190-L227 HydrophobicContact CG2-CD1 4.33Å; L227-M229 HydrophobicContact CB-SD 4.26Å; L227-M229 PolarHBondContact O-N 3.01Å; L227-L244 HydrophobicContact CD1-CD1 3.49Å; L227-L244 VanDerWaalsContact CD1-CD1 3.49Å; L227-S301 VanDerWaalsContact O-CA 3.25Å; L227-S301 WeakPolarHBondContact O-CA 3.34Å; L227-S301 WeakPolarHBondContact O-CB 3.46Å; L227-L302 HydrophobicContact CB-CB 4.31Å; L227-L302 PolarHBondContact N-O 3.3Å; L227-L302 PolarHBondContact O-N 2.95Å; L227-Y304 HydrophobicContact CD1-CD2 4.04Å; L227-Y304 HydrophobicContact CD1-CE2 3.6Å; L227-Y304 HydrophobicContact CG-CD2 4.17Å; L227-Y304 HydrophobicContact CG-CE2 4.15Å
228N87.9Confident83.9Confident18 Ų1848.7 Ų48.710%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-73121.1175.3-175-8.3000109.6I172 N173 Q230I172-N228 PolarHBondContact O-N 2.94Å; N173-N228 WeakPolarHBondContact OD1-CB 3.16Å; N173-N228 PolarHBondContact OD1-ND2 3.32Å; N228-Q230 WeakPolarHBondContact OD1-CB 2.93Å; N228-Q230 PolarHBondContact OD1-N 3.38Å
229M85.2Confident83.2Confident0 Ų053 Ų530%028%0.28CS..  trans-1077-177.7-56.2-57.6-68.200112.9I186 L227 H231 W232 L237 L299 S300 L302I186-M229 HydrophobicContact CD1-CE 3.87Å; I186-M229 HydrophobicContact CG1-CE 4Å; L227-M229 HydrophobicContact CB-SD 4.26Å; L227-M229 PolarHBondContact O-N 3.01Å; M229-H231 PolarHBondContact O-N 3.39Å; M229-H231 VanDerWaalsContact O-N 3.07Å; M229-W232 HydrophobicContact CE-CB 4.26Å; M229-W232 HydrophobicContact CE-CD2 3.67Å; M229-W232 HydrophobicContact CE-CE3 4.41Å; M229-W232 HydrophobicContact CE-CG 3.57Å; M229-W232 WeakPolarHBondContact O-CB 3.15Å; M229-W232 PolarHBondContact O-N 3Å; M229-L237 HydrophobicContact CE-CD1 4.36Å; M229-L237 HydrophobicContact CE-CD2 3.82Å; M229-L299 HydrophobicContact CB-CB 4.03Å; M229-L299 HydrophobicContact CG-CB 4.32Å; M229-S300 CarbonylContact C-O 3.57Å; M229-S300 WeakPolarHBondContact CA-O 3.24Å; M229-S300 WeakPolarHBondContact CB-O 3.33Å; M229-S300 PolarHBondContact N-O 3.45Å; M229-L302 HydrophobicContact CE-CD1 4.04Å; M229-L302 HydrophobicContact CG-CD1 4.05Å; M229-L302 HydrophobicContact CG-CG 3.86Å; M229-L302 HydrophobicContact SD-CD1 3.8Å; M229-L302 HydrophobicContact SD-CG 4.26Å
230Q77.3Confident82.9Confident111 Ų11148.3 Ų48.352%0.51926%0.26SS..THydrogen-bonded Turntrans-59.1-27.6-172.2-171.2177.51.900114.4N228 S300N228-Q230 WeakPolarHBondContact OD1-CB 2.93Å; N228-Q230 PolarHBondContact OD1-N 3.38Å; Q230-S300 PolarHBondContact N-O 3.07Å
231H79.1Confident82.8Confident118 Ų11846.4 Ų46.455%0.54624%0.24SC..THydrogen-bonded Turntrans-84.7-8.4177-60.3139.4000114N175 M229N175-H231 PolarHBondContact OD1-ND1 3.2Å; M229-H231 PolarHBondContact O-N 3.39Å; M229-H231 VanDerWaalsContact O-N 3.07Å
232W79.8Confident82.6Confident17 Ų1749.3 Ų49.36%0.06425%0.249CC..  trans-83.7137.4179.4-68.173.5000110.8I174 P176 L185 I186 A189 M229 L237I174-W232 HydrophobicContact CG2-CZ2 3.9Å; I174-W232 PolarHBondContact O-NE1 2.82Å; P176-W232 HydrophobicContact CB-CD2 4.09Å; P176-W232 HydrophobicContact CB-CE3 4.03Å; P176-W232 HydrophobicContact CB-CH2 4.33Å; P176-W232 HydrophobicContact CB-CZ2 4.36Å; P176-W232 HydrophobicContact CB-CZ3 4.17Å; L185-W232 HydrophobicContact CB-CH2 3.82Å; L185-W232 HydrophobicContact CB-CZ3 3.8Å; L185-W232 HydrophobicContact CD1-CZ3 4.42Å; I186-W232 HydrophobicContact CG1-CH2 4.06Å; I186-W232 HydrophobicContact CG1-CZ2 4.29Å; I186-W232 HydrophobicContact CG1-CZ3 4.36Å; A189-W232 HydrophobicContact CB-CH2 4.49Å; A189-W232 HydrophobicContact CB-CZ2 4.16Å; M229-W232 HydrophobicContact CE-CB 4.26Å; M229-W232 HydrophobicContact CE-CD2 3.67Å; M229-W232 HydrophobicContact CE-CE3 4.41Å; M229-W232 HydrophobicContact CE-CG 3.57Å; M229-W232 WeakPolarHBondContact O-CB 3.15Å; M229-W232 PolarHBondContact O-N 3Å; W232-L237 HydrophobicContact CB-CD1 3.67Å; W232-L237 HydrophobicContact CB-CG 4.32Å; W232-L237 HydrophobicContact CD2-CD2 4.36Å; W232-L237 HydrophobicContact CD2-CG 4.45Å; W232-L237 HydrophobicContact CE3-CD1 4.42Å; W232-L237 HydrophobicContact CE3-CD2 3.84Å; W232-L237 HydrophobicContact CE3-CG 3.84Å; W232-L237 HydrophobicContact CG-CD1 4.37Å; W232-L237 HydrophobicContact CZ3-CD2 4.31Å
233K75.3Confident82.5Confident130 Ų13054.3 Ų54.357%0.56527%0.268SS*.  trans-89.3145.8167.6-53.6174.3-176.71700108.7E235 D236 L237K233-E235 PolarHBondContact O-N 3.35Å; K233-D236 VanDerWaalsContact CB-OD2 3.28Å; K233-D236 WeakPolarHBondContact CB-OD2 2.87Å; K233-D236 WeakPolarHBondContact O-CB 3.12Å; K233-D236 PolarHBondContact O-N 2.82Å; K233-L237 PolarHBondContact O-N 2.93Å
234S67.9Low82.4Confident50 Ų5054.2 Ų54.235%0.3527%0.267SS..G310 helixtrans-57.4-34.6177.151.60000112.5D236 L237 L297S234-D236 VanDerWaalsContact C-N 3.27Å; S234-D236 PolarHBondContact O-N 2.91Å; S234-L237 PolarHBondContact O-N 3.35Å; S234-L297 WeakPolarHBondContact CB-O 3.4Å
235E69.7Low82.3Confident171 Ų17156.9 Ų56.980%0.79928%0.282SS*.G310 helixtrans-64.6-29175.8-65.2155.1-148.300112.9K233 L237K233-E235 PolarHBondContact O-N 3.35Å; E235-L237 VanDerWaalsContact C-N 3.32Å
236D68Low82.1Confident46 Ų4656.9 Ų56.925%0.24628%0.282CS..G310 helixtrans-81.8-15.6179.3-56.2-33.5000111.4L185 K233 S234 A238L185-D236 VanDerWaalsContact CD1-O 3.26Å; L185-D236 WeakPolarHBondContact CD1-O 3.5Å; K233-D236 VanDerWaalsContact CB-OD2 3.28Å; K233-D236 WeakPolarHBondContact CB-OD2 2.87Å; K233-D236 WeakPolarHBondContact O-CB 3.12Å; K233-D236 PolarHBondContact O-N 2.82Å; S234-D236 VanDerWaalsContact C-N 3.27Å; S234-D236 PolarHBondContact O-N 2.91Å; D236-A238 PolarHBondContact O-N 3.36Å
237L71.5Confident81.9Confident25 Ų2557.7 Ų57.713%0.13129%0.287CS..  trans-97.679.6-173.7-80.5154.9000111.9I186 M229 W232 K233 S234 E235 L299I186-L237 HydrophobicContact CD1-CD2 3.57Å; I186-L237 HydrophobicContact CG1-CD2 4.03Å; M229-L237 HydrophobicContact CE-CD1 4.36Å; M229-L237 HydrophobicContact CE-CD2 3.82Å; W232-L237 HydrophobicContact CB-CD1 3.67Å; W232-L237 HydrophobicContact CB-CG 4.32Å; W232-L237 HydrophobicContact CD2-CD2 4.36Å; W232-L237 HydrophobicContact CD2-CG 4.45Å; W232-L237 HydrophobicContact CE3-CD1 4.42Å; W232-L237 HydrophobicContact CE3-CD2 3.84Å; W232-L237 HydrophobicContact CE3-CG 3.84Å; W232-L237 HydrophobicContact CG-CD1 4.37Å; W232-L237 HydrophobicContact CZ3-CD2 4.31Å; K233-L237 PolarHBondContact O-N 2.93Å; S234-L237 PolarHBondContact O-N 3.35Å; E235-L237 VanDerWaalsContact C-N 3.32Å; L237-L299 HydrophobicContact CD1-CD1 4.1Å; L237-L299 HydrophobicContact CD2-CD1 4.4Å
238A69.4Low81.7Confident105 Ų10563.7 Ų63.787%0.86832%0.319SS*.SBendtrans-73-28.8174.900000113.6D236D236-A238 PolarHBondContact O-N 3.36Å
239Y79Confident82Confident134 Ų13466.4 Ų66.453%0.52533%0.331SS..  trans-154.7137.3-174.1176.6-103.9000111.9N184 P241N184-Y239 HydrophobicContact CB-CD1 4.43Å; N184-Y239 WeakPolarHBondContact ND2-CE1 3.3Å; Y239-P241 HydrophobicContact CE1-CB 4.31Å
240V85.5Confident82.4Confident22 Ų2271.2 Ų71.213%0.13335%0.352CS..  trans-104.4119.6171.6-176.20000109.2I186 Y242 L253 F296 L299 L302I186-V240 HydrophobicContact CD1-CB 4.47Å; I186-V240 HydrophobicContact CD1-CG1 4.31Å; I186-V240 HydrophobicContact CD1-CG2 4.31Å; V240-Y242 PolarHBondContact O-N 2.82Å; V240-L253 HydrophobicContact CG1-CD1 4.47Å; V240-L253 HydrophobicContact CG1-CD2 3.79Å; V240-F296 HydrophobicContact CB-CD2 4.23Å; V240-F296 HydrophobicContact CG2-CB 4.1Å; V240-F296 HydrophobicContact CG2-CD2 3.87Å; V240-F296 HydrophobicContact CG2-CG 4.26Å; V240-L299 HydrophobicContact CG2-CD1 3.9Å; V240-L302 HydrophobicContact CG1-CD1 3.76Å; V240-L302 HydrophobicContact CG1-CD2 3.76Å; V240-L302 HydrophobicContact CG1-CG 4.44Å
241P88.1Confident83.3Confident3 Ų365.9 Ų65.92%0.01933%0.327CS..  trans-59.8131.6176.710.9-15.7000111.6N184 I186 Y239 Y243 L244 Y304N184-P241 WeakPolarHBondContact ND2-CB 3.33Å; I186-P241 HydrophobicContact CB-CG 3.87Å; I186-P241 HydrophobicContact CG2-CG 3.7Å; Y239-P241 HydrophobicContact CE1-CB 4.31Å; P241-Y243 VanDerWaalsContact C-N 3.28Å; P241-Y243 WeakPolarHBondContact CB-O 3.1Å; P241-L244 HydrophobicContact CB-CD2 3.91Å; P241-L244 HydrophobicContact CB-CG 4.22Å; P241-L244 HydrophobicContact CG-CD1 4.45Å; P241-L244 HydrophobicContact CG-CD2 3.57Å; P241-L244 HydrophobicContact CG-CG 4.02Å; P241-Y304 WeakPolarHBondContact O-CE1 3.2Å; P241-Y304 PolarHBondContact O-OH 3.31Å
242Y88.5Confident84Confident75 Ų7562 Ų6229%0.29431%0.31SS..SBendtrans-74.3-24.9169.4-170.9-115.5000112.3V240 L252 L253 Q271V240-Y242 PolarHBondContact O-N 2.82Å; Y242-L252 HydrophobicContact CE1-CD2 4.44Å; Y242-L253 HydrophobicContact CD2-CB 3.88Å; Y242-L253 HydrophobicContact CE2-CB 4.27Å; Y242-L253 VanDerWaalsContact CE2-O 3.27Å; Y242-L253 WeakPolarHBondContact CE2-O 2.95Å; Y242-L253 PolarHBondContact O-N 2.74Å; Y242-Q271 VanDerWaalsContact CE2-NE2 3.26Å; Y242-Q271 PolarHBondContact OH-OE1 3.49Å
243Y91.4Very high84.6Confident108 Ų10861.4 Ų61.442%0.42431%0.308SS..EExtended strand (participates in β ladder)trans-125.9137.5178.7-55.8-83.2000110.7P241 K250 Y251 L252P241-Y243 VanDerWaalsContact C-N 3.28Å; P241-Y243 WeakPolarHBondContact CB-O 3.1Å; Y243-K250 HydrophobicContact CD1-CD 4.45Å; Y243-Y251 WeakPolarHBondContact CA-O 3.38Å; Y243-L252 HydrophobicContact CD1-CD2 3.27Å; Y243-L252 HydrophobicContact CE1-CD2 3.11Å
244L92.4Very high85.5Confident1 Ų156 Ų561%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-130.7141.1171-73.7177.5000110.5I186 R187 V190 L227 P241 L246 K250 Y251 Y304I186-L244 HydrophobicContact CG2-CD1 4.3Å; I186-L244 HydrophobicContact CG2-CD2 4.4Å; R187-L244 HydrophobicContact CB-CD2 4.32Å; V190-L244 HydrophobicContact CG2-CD1 4.14Å; V190-L244 HydrophobicContact CG2-CD2 4.28Å; L227-L244 HydrophobicContact CD1-CD1 3.49Å; L227-L244 VanDerWaalsContact CD1-CD1 3.49Å; P241-L244 HydrophobicContact CB-CD2 3.91Å; P241-L244 HydrophobicContact CB-CG 4.22Å; P241-L244 HydrophobicContact CG-CD1 4.45Å; P241-L244 HydrophobicContact CG-CD2 3.57Å; P241-L244 HydrophobicContact CG-CG 4.02Å; L244-L246 HydrophobicContact CB-CD2 4.48Å; L244-K250 CarbonylContact O-C 3.6Å; L244-Y251 PolarHBondContact N-O 3.27Å; L244-Y251 PolarHBondContact O-N 3.45Å; L244-Y304 HydrophobicContact CB-CD1 4.33Å; L244-Y304 HydrophobicContact CB-CE1 4.21Å; L244-Y304 HydrophobicContact CD1-CD1 4.05Å; L244-Y304 HydrophobicContact CD1-CD2 4.11Å; L244-Y304 HydrophobicContact CD1-CE1 3.54Å; L244-Y304 HydrophobicContact CD1-CE2 3.6Å; L244-Y304 HydrophobicContact CD1-CG 4.34Å; L244-Y304 HydrophobicContact CG-CD1 4.23Å; L244-Y304 HydrophobicContact CG-CE1 3.64Å
245D91.8Very high86.7Confident60 Ų6053.7 Ų53.732%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-98117.5170.2-57.2-50.7000106.6R187R187-D245 IonicContact CZ-OD2 2.68Å; R187-D245 IonicContact NH1-OD2 3.54Å; R187-D245 IonicContact NH2-OD2 3.5Å; R187-D245 PolarHBondContact NH2-OD2 3.1Å
246L92.1Very high87.7Confident0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-117.8108.2178.2-57.7-179.1000108V190 F194 F217 V225 L244 D248 H249 Y251V190-L246 HydrophobicContact CG1-CD2 3.31Å; V190-L246 HydrophobicContact CG2-CD2 4.42Å; F194-L246 HydrophobicContact CD1-CB 4.48Å; F194-L246 HydrophobicContact CD2-CD2 3.96Å; F194-L246 HydrophobicContact CE1-CB 4.25Å; F194-L246 HydrophobicContact CE2-CD2 3.83Å; F194-L246 HydrophobicContact CZ-CB 4.29Å; F194-L246 HydrophobicContact CZ-CD2 4.33Å; F217-L246 HydrophobicContact CE2-CB 4.2Å; F217-L246 HydrophobicContact CZ-CB 4.2Å; F217-L246 HydrophobicContact CZ-CD1 4.42Å; V225-L246 HydrophobicContact CB-CD1 4.3Å; V225-L246 HydrophobicContact CG1-CD1 4.12Å; V225-L246 HydrophobicContact CG2-CD1 3.54Å; L244-L246 HydrophobicContact CB-CD2 4.48Å; L246-D248 PolarHBondContact O-N 2.97Å; L246-H249 PolarHBondContact N-O 2.81Å; L246-H249 PolarHBondContact O-N 2.99Å; L246-Y251 HydrophobicContact CB-CD2 3.79Å; L246-Y251 HydrophobicContact CB-CE2 3.82Å; L246-Y251 HydrophobicContact CD1-CD1 4.48Å; L246-Y251 HydrophobicContact CD1-CD2 3.72Å; L246-Y251 HydrophobicContact CD1-CE2 4.01Å; L246-Y251 HydrophobicContact CD1-CG 3.98Å; L246-Y251 HydrophobicContact CG-CD2 3.83Å; L246-Y251 HydrophobicContact CG-CE2 4.26Å; L246-Y251 HydrophobicContact CG-CG 4.41Å
247S88Confident88.8Confident18 Ų1843.5 Ų43.513%0.12622%0.22CC..THydrogen-bonded Turntrans55.9-129.4-165.5-176.30000109.1Q214 R215 H249Q214-S247 PolarHBondContact NE2-O 3.44Å; R215-S247 VanDerWaalsContact O-CB 3.31Å; R215-S247 WeakPolarHBondContact O-CB 3.21Å; R215-S247 PolarHBondContact O-OG 3.18Å; S247-H249 VanDerWaalsContact C-N 3.31Å; S247-H249 PolarHBondContact O-N 3.38Å
248D88.7Confident89.6Confident125 Ų12543.3 Ų43.367%0.66822%0.219SC*.THydrogen-bonded Turntrans-91.214.6-179.4-59.3-31.6000113.8Q214 L246Q214-D248 PolarHBondContact NE2-OD1 3.48Å; Q214-D248 PolarHBondContact OE1-OD1 3.38Å; L246-D248 PolarHBondContact O-N 2.97Å
249H93Very high90.5Very high75 Ų7540.6 Ų40.635%0.34719%0.188SC..EExtended strand (participates in β ladder)trans-122.2135.1-171.8-6278000111.6A221 L246 S247 Y251A221-H249 HydrophobicContact CB-CB 4.23Å; A221-H249 WeakPolarHBondContact CB-CD2 3.08Å; A221-H249 VanDerWaalsContact CB-CG 3.49Å; A221-H249 WeakPolarHBondContact CB-NE2 3.45Å; L246-H249 PolarHBondContact N-O 2.81Å; L246-H249 PolarHBondContact O-N 2.99Å; S247-H249 VanDerWaalsContact C-N 3.31Å; S247-H249 PolarHBondContact O-N 3.38Å; H249-Y251 HydrophobicContact CB-CD2 4.25Å; H249-Y251 HydrophobicContact CB-CE2 3.66Å; H249-Y251 WeakPolarHBondContact O-CD2 3.42Å
250K94.8Very high90.8Very high101 Ų10136.1 Ų36.144%0.43917%0.173SC..EExtended strand (participates in β ladder)trans-85.9135.7174.3-173.8171.3179.7178.40110.4Y243 L244 A307Y243-K250 HydrophobicContact CD1-CD 4.45Å; L244-K250 CarbonylContact O-C 3.6Å; K250-A307 HydrophobicContact CB-CB 4.11Å; K250-A307 HydrophobicContact CG-CB 4.2Å; K250-A307 VanDerWaalsContact O-CB 3.26Å; K250-A307 WeakPolarHBondContact O-CB 3.42Å; K250-A307 PolarHBondContact O-N 2.68Å
251Y95.6Very high90.6Very high0 Ų042.3 Ų42.30%020%0.198CC..EExtended strand (participates in β ladder)trans-124.5143.4179.7-78.4-96.7000110.9F217 P222 V225 Y243 L244 L246 H249 I305 R306F217-Y251 HydrophobicContact CE2-CE2 4.36Å; P222-Y251 VanDerWaalsContact CD-OH 3.25Å; P222-Y251 WeakPolarHBondContact CD-OH 3.23Å; P222-Y251 PolarHBondContact O-OH 2.98Å; V225-Y251 HydrophobicContact CG1-CD1 4.43Å; V225-Y251 HydrophobicContact CG1-CE1 3.84Å; V225-Y251 HydrophobicContact CG2-CD1 3.85Å; V225-Y251 HydrophobicContact CG2-CE1 4.1Å; V225-Y251 HydrophobicContact CG2-CG 4.41Å; Y243-Y251 WeakPolarHBondContact CA-O 3.38Å; L244-Y251 PolarHBondContact N-O 3.27Å; L244-Y251 PolarHBondContact O-N 3.45Å; L246-Y251 HydrophobicContact CB-CD2 3.79Å; L246-Y251 HydrophobicContact CB-CE2 3.82Å; L246-Y251 HydrophobicContact CD1-CD1 4.48Å; L246-Y251 HydrophobicContact CD1-CD2 3.72Å; L246-Y251 HydrophobicContact CD1-CE2 4.01Å; L246-Y251 HydrophobicContact CD1-CG 3.98Å; L246-Y251 HydrophobicContact CG-CD2 3.83Å; L246-Y251 HydrophobicContact CG-CE2 4.26Å; L246-Y251 HydrophobicContact CG-CG 4.41Å; H249-Y251 HydrophobicContact CB-CD2 4.25Å; H249-Y251 HydrophobicContact CB-CE2 3.66Å; H249-Y251 WeakPolarHBondContact O-CD2 3.42Å; Y251-I305 CarbonylContact C-O 3.49Å; Y251-I305 WeakPolarHBondContact CA-O 3.21Å; Y251-I305 WeakPolarHBondContact CD1-O 3.46Å; Y251-R306 HydrophobicContact CD1-CB 4.19Å; Y251-R306 HydrophobicContact CE1-CB 3.72Å; Y251-R306 HydrophobicContact CE1-CG 4.24Å
252L94.1Very high90.4Very high37 Ų3750.6 Ų50.619%0.19424%0.236CC..EExtended strand (participates in β ladder)trans-112.3132-175.3-60.1166.3000109.7Y242 Y243 E254 Y304 I305 A307Y242-L252 HydrophobicContact CE1-CD2 4.44Å; Y243-L252 HydrophobicContact CD1-CD2 3.27Å; Y243-L252 HydrophobicContact CE1-CD2 3.11Å; L252-E254 PolarHBondContact O-N 2.75Å; L252-E254 VanDerWaalsContact O-N 3.1Å; L252-Y304 VanDerWaalsContact C-CD1 3.48Å; L252-Y304 CarbonylContact O-C 3.56Å; L252-Y304 WeakPolarHBondContact O-CA 3.44Å; L252-Y304 WeakPolarHBondContact O-CB 3.32Å; L252-I305 HydrophobicContact CB-CG1 4.02Å; L252-I305 PolarHBondContact N-O 2.88Å; L252-I305 PolarHBondContact O-N 3.2Å; L252-A307 HydrophobicContact CD1-CB 3.98Å; L252-A307 HydrophobicContact CG-CB 4.03Å
253L92.9Very high90.2Very high4 Ų452.6 Ų52.62%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-66.6111.7175.3179.669.1000109.7V240 Y242 G255 W276 F296 L302 Y304V240-L253 HydrophobicContact CG1-CD1 4.47Å; V240-L253 HydrophobicContact CG1-CD2 3.79Å; Y242-L253 HydrophobicContact CD2-CB 3.88Å; Y242-L253 HydrophobicContact CE2-CB 4.27Å; Y242-L253 VanDerWaalsContact CE2-O 3.27Å; Y242-L253 WeakPolarHBondContact CE2-O 2.95Å; Y242-L253 PolarHBondContact O-N 2.74Å; L253-G255 WeakPolarHBondContact CD1-O 3.26Å; L253-W276 HydrophobicContact CD2-CH2 4.21Å; L253-W276 HydrophobicContact CD2-CZ2 4.2Å; L253-W276 HydrophobicContact CG-CH2 4.13Å; L253-W276 HydrophobicContact CG-CZ2 4.39Å; L253-F296 HydrophobicContact CD2-CE2 4.17Å; L253-F296 HydrophobicContact CD2-CZ 4.18Å; L253-L302 HydrophobicContact CD1-CB 4.27Å; L253-L302 HydrophobicContact CD1-CD2 3.89Å; L253-Y304 HydrophobicContact CB-CD1 3.95Å; L253-Y304 HydrophobicContact CB-CE1 3.65Å; L253-Y304 HydrophobicContact CD1-CD2 4.25Å; L253-Y304 HydrophobicContact CD1-CE1 4.15Å; L253-Y304 HydrophobicContact CD1-CE2 3.86Å; L253-Y304 HydrophobicContact CG-CE1 4.48Å; L253-Y304 VanDerWaalsContact N-CD1 3.29Å
254E92.8Very high89.8Confident17 Ų1753.3 Ų53.38%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-107.2-24.9-178-164.465.2-170.200111.7I69 L252 F270 Q271 V303 I305I69-E254 HydrophobicContact CG1-CG 4.09Å; L252-E254 PolarHBondContact O-N 2.75Å; L252-E254 VanDerWaalsContact O-N 3.1Å; E254-F270 CarbonylContact O-C 3.47Å; E254-F270 VanDerWaalsContact O-CA 3.24Å; E254-F270 WeakPolarHBondContact O-CA 3.29Å; E254-Q271 PolarHBondContact O-N 3.22Å; E254-V303 PolarHBondContact N-O 3.34Å; E254-I305 HydrophobicContact CB-CB 4.39Å; E254-I305 HydrophobicContact CB-CD1 4.29Å; E254-I305 HydrophobicContact CB-CG1 4.05Å; E254-I305 HydrophobicContact CB-CG2 3.66Å; E254-I305 HydrophobicContact CG-CD1 4.06Å; E254-I305 HydrophobicContact CG-CG1 4.37Å; E254-I305 HydrophobicContact CG-CG2 3.89Å; E254-I305 WeakPolarHBondContact OE2-CD1 3.44Å
255G92.8Very high89.5Confident0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-169.2179.2-17900000115L253 A269 V303L253-G255 WeakPolarHBondContact CD1-O 3.26Å; G255-A269 CarbonylContact C-O 3.41Å; G255-A269 WeakPolarHBondContact CA-O 3.27Å; G255-V303 PolarHBondContact N-O 3.15Å; G255-V303 PolarHBondContact O-N 2.96Å
256A92.2Very high89.4Confident0 Ų051.6 Ų51.60%024%0.244CC..EExtended strand (participates in β ladder)trans-154.6151.2176.300000109.9L258 A268 A269 F296 L299 S301 L302A256-L258 HydrophobicContact CB-CD2 4.45Å; A256-A268 CarbonylContact O-C 3.53Å; A256-A268 WeakPolarHBondContact O-CA 3.08Å; A256-A269 PolarHBondContact N-O 2.85Å; A256-A269 PolarHBondContact O-N 2.81Å; A256-F296 HydrophobicContact CB-CD1 3.94Å; A256-F296 HydrophobicContact CB-CE1 3.67Å; A256-L299 HydrophobicContact CB-CD2 3.63Å; A256-S301 CarbonylContact C-O 3.55Å; A256-S301 WeakPolarHBondContact CA-O 2.7Å; A256-S301 WeakPolarHBondContact CB-O 3.37Å; A256-L302 HydrophobicContact CB-CD2 4.04Å
257T90.8Very high89.4Confident4 Ų452.2 Ų52.23%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-98.1143.4161.854.70000109.1L65 E135 F139 S267 S300 S301L65-T257 HydrophobicContact CD1-CG2 3.8Å; E135-T257 WeakPolarHBondContact OE1-CB 3.19Å; E135-T257 WeakPolarHBondContact OE1-CG2 3.47Å; E135-T257 PolarHBondContact OE1-OG1 3.47Å; E135-T257 PolarHBondContact OE2-OG1 3.08Å; E135-T257 VanDerWaalsContact OE2-OG1 3.06Å; F139-T257 HydrophobicContact CE1-CG2 4.48Å; F139-T257 HydrophobicContact CZ-CG2 3.91Å; T257-S267 WeakPolarHBondContact CA-O 3.3Å; T257-S300 PolarHBondContact O-N 3.19Å; T257-S301 PolarHBondContact N-O 2.82Å; T257-S301 PolarHBondContact O-N 2.93Å; T257-S301 WeakPolarHBondContact OG1-CB 3.47Å; T257-S301 PolarHBondContact OG1-N 2.8Å
258L88.8Confident89.6Confident21 Ų2151.4 Ų51.411%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-122.2135.3-175.1-52.2173.3000108.8A256 Y266 S267 A269 F296 L298 L299A256-L258 HydrophobicContact CB-CD2 4.45Å; L258-Y266 CarbonylContact O-C 3.55Å; L258-Y266 VanDerWaalsContact O-CA 3.3Å; L258-Y266 WeakPolarHBondContact O-CA 3.42Å; L258-S267 PolarHBondContact N-O 2.69Å; L258-S267 PolarHBondContact O-N 3.03Å; L258-A269 HydrophobicContact CD1-CB 4.43Å; L258-F296 HydrophobicContact CD2-CD1 4.19Å; L258-L298 CarbonylContact C-O 3.54Å; L258-L298 WeakPolarHBondContact CA-O 3.27Å; L258-L299 HydrophobicContact CD2-CD2 4.12Å
259F87.6Confident89.7Confident48 Ų4845.4 Ų45.421%0.21121%0.211CC..EExtended strand (participates in β ladder)trans-118.4113.7178.3-179.4-115.3000111.7K261 H264 H265 Y266 L298F259-K261 HydrophobicContact CD1-CG 3.99Å; F259-K261 HydrophobicContact CE1-CB 4.44Å; F259-K261 HydrophobicContact CE1-CG 3.87Å; F259-K261 PolarHBondContact O-N 3.5Å; F259-H264 AromaticContact CZ-ND1 3.87Å; F259-H265 WeakPolarHBondContact CA-O 3.31Å; F259-Y266 HydrophobicContact CB-CD1 4.13Å; F259-Y266 HydrophobicContact CB-CE1 3.82Å; F259-Y266 HydrophobicContact CD2-CD1 4.02Å; F259-Y266 AromaticContact CD2-CD2 3.76Å; F259-Y266 HydrophobicContact CD2-CD2 3.76Å; F259-Y266 AromaticContact CD2-CE1 3.69Å; F259-Y266 HydrophobicContact CD2-CE1 3.69Å; F259-Y266 AromaticContact CD2-CE2 3.4Å; F259-Y266 HydrophobicContact CD2-CE2 3.4Å; F259-Y266 HydrophobicContact CD2-CG 4.05Å; F259-Y266 AromaticContact CD2-CZ 3.36Å; F259-Y266 HydrophobicContact CE2-CD2 4.12Å; F259-Y266 AromaticContact CE2-CE2 3.59Å; F259-Y266 HydrophobicContact CE2-CE2 3.59Å; F259-Y266 AromaticContact CE2-CZ 3.87Å; F259-Y266 HydrophobicContact CG-CE1 4.02Å; F259-Y266 HydrophobicContact CG-CE2 4.42Å; F259-Y266 AromaticContact CG-CZ 3.96Å; F259-L298 PolarHBondContact N-O 3.1Å
260N85.6Confident89.7Confident39 Ų3941.9 Ų41.921%0.20920%0.195CC..EExtended strand (participates in β ladder)trans-81.9112.9170-173.6-19.7000109.5E262 E263 H264 H265 L298N260-E262 VanDerWaalsContact C-N 3.35Å; N260-E262 PolarHBondContact O-N 3.14Å; N260-E262 PolarHBondContact OD1-N 2.99Å; N260-E263 HydrophobicContact CB-CB 4.25Å; N260-E263 VanDerWaalsContact ND2-CD 3.27Å; N260-E263 WeakPolarHBondContact ND2-CG 3.2Å; N260-E263 PolarHBondContact ND2-OE2 2.63Å; N260-E263 PolarHBondContact OD1-N 3.04Å; N260-H264 VanDerWaalsContact O-CA 3.24Å; N260-H264 WeakPolarHBondContact O-CA 3.48Å; N260-H264 PolarHBondContact O-N 2.68Å; N260-H265 PolarHBondContact N-O 2.67Å; N260-H265 PolarHBondContact O-N 2.9Å; N260-H265 VanDerWaalsContact O-N 3.12Å; N260-L298 HydrophobicContact CB-CD1 4.46Å
261K81.6Confident89.5Confident152 Ų15237.9 Ų37.966%0.66118%0.178SC*.THydrogen-bonded Turntrans-66.8-32.9179.6-68.1-178.5-179.7175.20113.1F259F259-K261 HydrophobicContact CD1-CG 3.99Å; F259-K261 HydrophobicContact CE1-CB 4.44Å; F259-K261 HydrophobicContact CE1-CG 3.87Å; F259-K261 PolarHBondContact O-N 3.5Å
262E83.2Confident89.2Confident177 Ų17737.9 Ų37.983%0.82718%0.178SC*.THydrogen-bonded Turntrans-75.6-44.2-177.7-62.5-176.5174.100111.3N260 H264N260-E262 VanDerWaalsContact C-N 3.35Å; N260-E262 PolarHBondContact O-N 3.14Å; N260-E262 PolarHBondContact OD1-N 2.99Å; E262-H264 VanDerWaalsContact C-N 3.33Å
263E83.3Confident88.8Confident118 Ų11838.2 Ų38.255%0.55119%0.191SC*.THydrogen-bonded Turntrans-86.2-6.6179.8-65.3177.1157.300112.8N260 H265N260-E263 HydrophobicContact CB-CB 4.25Å; N260-E263 VanDerWaalsContact ND2-CD 3.27Å; N260-E263 WeakPolarHBondContact ND2-CG 3.2Å; N260-E263 PolarHBondContact ND2-OE2 2.63Å; N260-E263 PolarHBondContact OD1-N 3.04Å; E263-H265 HydrophobicContact CB-CB 3.88Å; E263-H265 PolarHBondContact O-N 3.18Å
264H83.8Confident88.4Confident123 Ų12341 Ų4157%0.56922%0.219SC*.THydrogen-bonded Turntrans47.348-169.9-72.3-74.4000112.3F259 N260 E262F259-H264 AromaticContact CZ-ND1 3.87Å; N260-H264 VanDerWaalsContact O-CA 3.24Å; N260-H264 WeakPolarHBondContact O-CA 3.48Å; N260-H264 PolarHBondContact O-N 2.68Å; E262-H264 VanDerWaalsContact C-N 3.33Å
265H87.1Confident88.2Confident4 Ų444.2 Ų44.22%0.01923%0.234CC..EExtended strand (participates in β ladder)trans-127.3139-166.8175.850.8000112.7C57 F259 N260 E263 D280 L282C57-H265 VanDerWaalsContact CB-CE1 3.5Å; C57-H265 WeakPolarHBondContact CB-CE1 3.4Å; C57-H265 WeakPolarHBondContact CB-ND1 3.42Å; F259-H265 WeakPolarHBondContact CA-O 3.31Å; N260-H265 PolarHBondContact N-O 2.67Å; N260-H265 PolarHBondContact O-N 2.9Å; N260-H265 VanDerWaalsContact O-N 3.12Å; E263-H265 HydrophobicContact CB-CB 3.88Å; E263-H265 PolarHBondContact O-N 3.18Å; H265-D280 IonicContact CD2-OD1 2.71Å; H265-D280 IonicContact CE1-OD1 2.79Å; H265-D280 PolarHBondContact CE1-OD1 3.04Å; H265-D280 IonicContact NE2-OD1 2.68Å; H265-D280 PolarHBondContact NE2-OD1 2.82Å; H265-D280 IonicContact NE2-OD2 3.63Å; H265-L282 HydrophobicContact CB-CD1 3.87Å; H265-L282 WeakPolarHBondContact CE1-CG 3.19Å; H265-L282 VanDerWaalsContact ND1-CD1 3.33Å; H265-L282 WeakPolarHBondContact ND1-CD1 3.42Å
266Y89.1Confident88.1Confident20 Ų2045.2 Ų45.28%0.07824%0.238CC..EExtended strand (participates in β ladder)trans-102.6131.9175.7-73.6-90000111.6T58 E135 L258 F259T58-Y266 HydrophobicContact CG2-CD2 3.9Å; T58-Y266 HydrophobicContact CG2-CE2 3.95Å; T58-Y266 HydrophobicContact CG2-CG 4.26Å; T58-Y266 WeakPolarHBondContact OG1-CD2 3.26Å; E135-Y266 HydrophobicContact CB-CE1 3.92Å; L258-Y266 CarbonylContact O-C 3.55Å; L258-Y266 VanDerWaalsContact O-CA 3.3Å; L258-Y266 WeakPolarHBondContact O-CA 3.42Å; F259-Y266 HydrophobicContact CB-CD1 4.13Å; F259-Y266 HydrophobicContact CB-CE1 3.82Å; F259-Y266 HydrophobicContact CD2-CD1 4.02Å; F259-Y266 AromaticContact CD2-CD2 3.76Å; F259-Y266 HydrophobicContact CD2-CD2 3.76Å; F259-Y266 AromaticContact CD2-CE1 3.69Å; F259-Y266 HydrophobicContact CD2-CE1 3.69Å; F259-Y266 AromaticContact CD2-CE2 3.4Å; F259-Y266 HydrophobicContact CD2-CE2 3.4Å; F259-Y266 HydrophobicContact CD2-CG 4.05Å; F259-Y266 AromaticContact CD2-CZ 3.36Å; F259-Y266 HydrophobicContact CE2-CD2 4.12Å; F259-Y266 AromaticContact CE2-CE2 3.59Å; F259-Y266 HydrophobicContact CE2-CE2 3.59Å; F259-Y266 AromaticContact CE2-CZ 3.87Å; F259-Y266 HydrophobicContact CG-CE1 4.02Å; F259-Y266 HydrophobicContact CG-CE2 4.42Å; F259-Y266 AromaticContact CG-CZ 3.96Å
267S90.8Very high87.9Confident14 Ų1445.4 Ų45.410%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-128.2173.1169.562.90000109.7T257 L258 H278 Y279T257-S267 WeakPolarHBondContact CA-O 3.3Å; L258-S267 PolarHBondContact N-O 2.69Å; L258-S267 PolarHBondContact O-N 3.03Å; S267-H278 VanDerWaalsContact CB-NE2 3.34Å; S267-H278 WeakPolarHBondContact CB-NE2 3.28Å; S267-H278 PolarHBondContact OG-NE2 3.12Å; S267-Y279 WeakPolarHBondContact CA-O 3.48Å; S267-Y279 WeakPolarHBondContact CB-O 3.41Å
268A92.6Very high87.9Confident0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-132.1149.9178.200000111.1L65 A256 F270 H278 Y279L65-A268 HydrophobicContact CD1-CB 3.89Å; L65-A268 HydrophobicContact CG-CB 4.22Å; A256-A268 CarbonylContact O-C 3.53Å; A256-A268 WeakPolarHBondContact O-CA 3.08Å; A268-F270 HydrophobicContact CB-CD1 4.4Å; A268-H278 CarbonylContact O-C 3.54Å; A268-H278 WeakPolarHBondContact O-CA 3.07Å; A268-H278 PolarHBondContact O-CD2 3.03Å; A268-H278 VanDerWaalsContact O-CD2 3.29Å; A268-Y279 HydrophobicContact CB-CD1 4.42Å; A268-Y279 PolarHBondContact N-O 3.28Å; A268-Y279 PolarHBondContact O-N 2.96Å
269A92.4Very high88.1Confident0 Ų045.6 Ų45.60%024%0.239CC..EExtended strand (participates in β ladder)trans-124140.116700000109.6G255 A256 L258 W276 M277 P294G255-A269 CarbonylContact C-O 3.41Å; G255-A269 WeakPolarHBondContact CA-O 3.27Å; A256-A269 PolarHBondContact N-O 2.85Å; A256-A269 PolarHBondContact O-N 2.81Å; L258-A269 HydrophobicContact CD1-CB 4.43Å; A269-W276 HydrophobicContact CB-CE3 4.3Å; A269-W276 HydrophobicContact CB-CZ3 4.31Å; A269-M277 CarbonylContact C-O 3.59Å; A269-M277 WeakPolarHBondContact CA-O 3.41Å; A269-P294 HydrophobicContact CB-CB 4.28Å; A269-P294 HydrophobicContact CB-CG 3.52Å
270F92.6Very high88.2Confident1 Ų143.7 Ų43.70%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-154.5158.7-17848.4-98.1000113.1M64 L65 V68 E254 A268 M277 L287M64-F270 HydrophobicContact CB-CE1 3.88Å; M64-F270 HydrophobicContact CB-CZ 4.29Å; M64-F270 HydrophobicContact CE-CZ 4.18Å; L65-F270 HydrophobicContact CD2-CB 3.58Å; L65-F270 HydrophobicContact CD2-CD1 4.2Å; L65-F270 HydrophobicContact CD2-CG 4.32Å; L65-F270 HydrophobicContact CG-CB 4.44Å; L65-F270 HydrophobicContact CG-CD1 4.17Å; V68-F270 HydrophobicContact CB-CD2 4.29Å; V68-F270 HydrophobicContact CG1-CD2 4.1Å; V68-F270 HydrophobicContact CG2-CD2 3.84Å; V68-F270 HydrophobicContact CG2-CE2 3.67Å; V68-F270 HydrophobicContact CG2-CZ 4.28Å; E254-F270 CarbonylContact O-C 3.47Å; E254-F270 VanDerWaalsContact O-CA 3.24Å; E254-F270 WeakPolarHBondContact O-CA 3.29Å; A268-F270 HydrophobicContact CB-CD1 4.4Å; F270-M277 HydrophobicContact CD2-CB 4.12Å; F270-M277 HydrophobicContact CE2-CB 3.82Å; F270-M277 HydrophobicContact CE2-CG 4.26Å; F270-M277 HydrophobicContact CZ-CB 4.32Å; F270-M277 PolarHBondContact N-O 3.47Å; F270-M277 PolarHBondContact O-N 2.86Å; F270-L287 HydrophobicContact CE1-CD1 4.43Å; F270-L287 HydrophobicContact CE2-CD1 4.18Å; F270-L287 HydrophobicContact CZ-CD1 3.59Å
271Q90.3Very high88.1Confident16 Ų1642 Ų428%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-87.6142.7173.6-62.5-161.511.600111.9V68 Y242 E254 H275 W276V68-Q271 WeakPolarHBondContact CG1-O 3.17Å; Y242-Q271 VanDerWaalsContact CE2-NE2 3.26Å; Y242-Q271 PolarHBondContact OH-OE1 3.49Å; E254-Q271 PolarHBondContact O-N 3.22Å; Q271-H275 CarbonylContact C-O 3.59Å; Q271-H275 VanDerWaalsContact CA-O 3.31Å; Q271-H275 WeakPolarHBondContact CA-O 3.08Å; Q271-W276 HydrophobicContact CG-CD2 3.75Å; Q271-W276 HydrophobicContact CG-CE3 4.03Å; Q271-W276 HydrophobicContact CG-CG 4.33Å; Q271-W276 HydrophobicContact CG-CH2 3.96Å; Q271-W276 HydrophobicContact CG-CZ2 3.69Å; Q271-W276 HydrophobicContact CG-CZ3 4.13Å; Q271-W276 VanDerWaalsContact NE2-NE1 3.14Å
272I89.2Confident88.3Confident0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-145122.4168.6-176.7177.1000108.1F5 I8 K9 I12 V68 E72 G274 H275 M277F5-I272 HydrophobicContact CD2-CD1 3.91Å; F5-I272 HydrophobicContact CE2-CD1 3.57Å; F5-I272 HydrophobicContact CE2-CG1 3.85Å; F5-I272 HydrophobicContact CZ-CD1 4.24Å; F5-I272 HydrophobicContact CZ-CG1 4.18Å; I8-I272 HydrophobicContact CB-CD1 4.07Å; I8-I272 HydrophobicContact CG2-CD1 3.62Å; K9-I272 HydrophobicContact CG-CD1 3.84Å; K9-I272 HydrophobicContact CG-CG1 3.93Å; I12-I272 HydrophobicContact CD1-CB 4.46Å; I12-I272 HydrophobicContact CD1-CG1 4.44Å; I12-I272 HydrophobicContact CD1-CG2 3.44Å; I12-I272 VanDerWaalsContact CD1-CG2 3.44Å; V68-I272 HydrophobicContact CG1-CB 4.3Å; E72-I272 WeakPolarHBondContact OE1-CA 3.48Å; E72-I272 VanDerWaalsContact OE1-CG1 3.25Å; E72-I272 WeakPolarHBondContact OE1-CG1 3.45Å; I272-G274 PolarHBondContact O-N 2.71Å; I272-G274 VanDerWaalsContact O-N 3.16Å; I272-H275 PolarHBondContact N-O 3.33Å; I272-H275 PolarHBondContact O-N 2.88Å; I272-M277 HydrophobicContact CG2-CG 3.38Å; I272-M277 HydrophobicContact CG2-SD 4.24Å
273G85.3Confident88.2Confident45 Ų4536.4 Ų36.446%0.46420%0.196SC..THydrogen-bonded Turntrans50.137.8-172.500000114.1E72 H275E72-G273 PolarHBondContact OE1-N 3.06Å; G273-H275 VanDerWaalsContact C-N 3.29Å; G273-H275 PolarHBondContact O-N 3.29Å; G273-H275 PolarHBondContact O-ND1 3.45Å
274G85.8Confident87.9Confident61 Ų6138.2 Ų38.263%0.62921%0.21SC*.THydrogen-bonded Turntrans75.87.7-178.800000115.7I272I272-G274 PolarHBondContact O-N 2.71Å; I272-G274 VanDerWaalsContact O-N 3.16Å
275H87.6Confident87.8Confident85 Ų8533.9 Ų33.939%0.39419%0.192SC..EExtended strand (participates in β ladder)trans-109.3137.8177.6-62.174.2000110.3I12 Q271 I272 G273 L289I12-H275 HydrophobicContact CG2-CB 4.26Å; Q271-H275 CarbonylContact C-O 3.59Å; Q271-H275 VanDerWaalsContact CA-O 3.31Å; Q271-H275 WeakPolarHBondContact CA-O 3.08Å; I272-H275 PolarHBondContact N-O 3.33Å; I272-H275 PolarHBondContact O-N 2.88Å; G273-H275 VanDerWaalsContact C-N 3.29Å; G273-H275 PolarHBondContact O-N 3.29Å; G273-H275 PolarHBondContact O-ND1 3.45Å; H275-L289 HydrophobicContact CB-CD1 3.7Å
276W89.6Confident87.8Confident22 Ų2233.8 Ų33.88%0.08319%0.191CC..EExtended strand (participates in β ladder)trans-81.3132.5176.1-80.599.9000111.1L253 A269 Q271 L290 P294 F296L253-W276 HydrophobicContact CD2-CH2 4.21Å; L253-W276 HydrophobicContact CD2-CZ2 4.2Å; L253-W276 HydrophobicContact CG-CH2 4.13Å; L253-W276 HydrophobicContact CG-CZ2 4.39Å; A269-W276 HydrophobicContact CB-CE3 4.3Å; A269-W276 HydrophobicContact CB-CZ3 4.31Å; Q271-W276 HydrophobicContact CG-CD2 3.75Å; Q271-W276 HydrophobicContact CG-CE3 4.03Å; Q271-W276 HydrophobicContact CG-CG 4.33Å; Q271-W276 HydrophobicContact CG-CH2 3.96Å; Q271-W276 HydrophobicContact CG-CZ2 3.69Å; Q271-W276 HydrophobicContact CG-CZ3 4.13Å; Q271-W276 VanDerWaalsContact NE2-NE1 3.14Å; W276-L290 HydrophobicContact CB-CB 4.04Å; W276-L290 HydrophobicContact CB-CD1 4.14Å; W276-L290 WeakPolarHBondContact O-CB 3.21Å; W276-L290 PolarHBondContact O-N 3.3Å; W276-P294 HydrophobicContact CD2-CG 4.18Å; W276-P294 HydrophobicContact CE3-CG 3.84Å; W276-P294 HydrophobicContact CZ3-CG 4.28Å; W276-F296 AromaticContact CH2-CZ 3.82Å; W276-F296 HydrophobicContact CH2-CZ 3.82Å; W276-F296 HydrophobicContact CZ2-CZ 4.15Å; W276-F296 HydrophobicContact CZ3-CE1 4.49Å; W276-F296 HydrophobicContact CZ3-CZ 4.11Å
277M89.6Confident87.8Confident4 Ų432.8 Ų32.82%0.0219%0.188CC..EExtended strand (participates in β ladder)trans-118.7145.4173.9-56.3-68.3-64.900109.4I12 A269 F270 I272 L287 I288 L289I12-M277 HydrophobicContact CD1-SD 4.21Å; I12-M277 HydrophobicContact CG1-SD 4.34Å; A269-M277 CarbonylContact C-O 3.59Å; A269-M277 WeakPolarHBondContact CA-O 3.41Å; F270-M277 HydrophobicContact CD2-CB 4.12Å; F270-M277 HydrophobicContact CE2-CB 3.82Å; F270-M277 HydrophobicContact CE2-CG 4.26Å; F270-M277 HydrophobicContact CZ-CB 4.32Å; F270-M277 PolarHBondContact N-O 3.47Å; F270-M277 PolarHBondContact O-N 2.86Å; I272-M277 HydrophobicContact CG2-CG 3.38Å; I272-M277 HydrophobicContact CG2-SD 4.24Å; M277-L287 HydrophobicContact CB-CD1 3.87Å; M277-L287 HydrophobicContact CE-CD1 3.97Å; M277-L287 HydrophobicContact CE-CD2 4.06Å; M277-L287 HydrophobicContact CE-CG 3.64Å; M277-I288 CarbonylContact C-O 3.45Å; M277-I288 VanDerWaalsContact CA-O 3.23Å; M277-I288 WeakPolarHBondContact CA-O 3.34Å; M277-L289 HydrophobicContact CE-CB 4.28Å; M277-L289 VanDerWaalsContact SD-CA 3.55Å; M277-L289 HydrophobicContact SD-CB 3.81Å; M277-L289 HydrophobicContact SD-CD1 3.56Å; M277-L289 VanDerWaalsContact SD-CD1 3.56Å; M277-L289 HydrophobicContact SD-CG 4.31Å
278H91.1Very high87.7Confident29 Ų2934 Ų3413%0.13419%0.193CC..EExtended strand (participates in β ladder)trans-109.9125.6168.3178.6-123.8000109.4S267 A268 L287 I288 L290S267-H278 VanDerWaalsContact CB-NE2 3.34Å; S267-H278 WeakPolarHBondContact CB-NE2 3.28Å; S267-H278 PolarHBondContact OG-NE2 3.12Å; A268-H278 CarbonylContact O-C 3.54Å; A268-H278 WeakPolarHBondContact O-CA 3.07Å; A268-H278 PolarHBondContact O-CD2 3.03Å; A268-H278 VanDerWaalsContact O-CD2 3.29Å; H278-L287 CarbonylContact O-C 3.41Å; H278-L287 WeakPolarHBondContact O-CA 3.15Å; H278-I288 PolarHBondContact N-O 3.12Å; H278-I288 PolarHBondContact O-N 2.92Å; H278-L290 HydrophobicContact CB-CD1 4.1Å; H278-L290 HydrophobicContact CB-CD2 3.9Å; H278-L290 HydrophobicContact CB-CG 4.13Å
279Y91.3Very high87.4Confident0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-109123.1175.6169.2-95000110.6L27 D60 M64 S267 A268 G281 N286L27-Y279 HydrophobicContact CB-CE2 4.29Å; L27-Y279 VanDerWaalsContact CB-OH 3.26Å; L27-Y279 WeakPolarHBondContact CB-OH 3.14Å; L27-Y279 PolarHBondContact O-OH 3.48Å; D60-Y279 HydrophobicContact CB-CE1 3.74Å; D60-Y279 WeakPolarHBondContact CB-OH 3.3Å; M64-Y279 HydrophobicContact CB-CD1 4.45Å; M64-Y279 HydrophobicContact CB-CG 4.43Å; M64-Y279 HydrophobicContact CG-CD1 4.08Å; M64-Y279 HydrophobicContact CG-CD2 3.94Å; M64-Y279 HydrophobicContact CG-CE1 4.24Å; M64-Y279 HydrophobicContact CG-CE2 4.09Å; M64-Y279 HydrophobicContact CG-CG 3.95Å; S267-Y279 WeakPolarHBondContact CA-O 3.48Å; S267-Y279 WeakPolarHBondContact CB-O 3.41Å; A268-Y279 HydrophobicContact CB-CD1 4.42Å; A268-Y279 PolarHBondContact N-O 3.28Å; A268-Y279 PolarHBondContact O-N 2.96Å; Y279-G281 VanDerWaalsContact OH-CA 3.25Å; Y279-G281 WeakPolarHBondContact OH-CA 3.36Å; Y279-N286 CarbonylContact C-O 3.55Å; Y279-N286 WeakPolarHBondContact CA-O 3.36Å; Y279-N286 HydrophobicContact CD2-CB 4.45Å; Y279-N286 WeakPolarHBondContact CD2-O 3.35Å; Y279-N286 HydrophobicContact CE2-CB 4.07Å
280D89.6Confident87Confident7 Ų737.5 Ų37.54%0.03721%0.211CC..  trans-133.1101.3-180-176.1-21.1000110.9H265 L282 R283 N286H265-D280 IonicContact CD2-OD1 2.71Å; H265-D280 IonicContact CE1-OD1 2.79Å; H265-D280 PolarHBondContact CE1-OD1 3.04Å; H265-D280 IonicContact NE2-OD1 2.68Å; H265-D280 PolarHBondContact NE2-OD1 2.82Å; H265-D280 IonicContact NE2-OD2 3.63Å; D280-L282 PolarHBondContact O-N 2.82Å; D280-L282 VanDerWaalsContact O-N 3.14Å; D280-L282 PolarHBondContact OD1-N 2.84Å; D280-R283 HydrophobicContact CB-CB 4.49Å; D280-R283 HydrophobicContact CB-CG 4.07Å; D280-R283 PolarHBondContact O-N 2.89Å; D280-R283 VanDerWaalsContact O-N 3.1Å; D280-R283 WeakPolarHBondContact OD2-CD 3.43Å; D280-R283 IonicContact OD2-CZ 3.56Å; D280-R283 IonicContact OD2-NE 2.84Å; D280-R283 PolarHBondContact OD2-NE 3.36Å; D280-R283 IonicContact OD2-NH2 2.73Å; D280-N286 PolarHBondContact N-O 3.4Å; D280-N286 VanDerWaalsContact O-CA 3.28Å; D280-N286 WeakPolarHBondContact O-CA 3.34Å; D280-N286 WeakPolarHBondContact O-CB 3.46Å
281G85.4Confident86.1Confident5 Ų542.1 Ų42.15%0.05224%0.236CC..THydrogen-bonded Turntrans-64.1-15.3-176.600000116W29 Y279W29-G281 VanDerWaalsContact CB-O 3.32Å; W29-G281 WeakPolarHBondContact CB-O 2.99Å; W29-G281 PolarHBondContact N-O 2.87Å; Y279-G281 VanDerWaalsContact OH-CA 3.25Å; Y279-G281 WeakPolarHBondContact OH-CA 3.36Å
282L84.1Confident85.2Confident83 Ų8347.2 Ų47.244%0.43526%0.257SS..THydrogen-bonded Turntrans-81.7-19.3175.5-75.6-179.8000112.8W29 H265 D280W29-L282 HydrophobicContact CB-CD2 4.28Å; W29-L282 HydrophobicContact CD2-CD2 4.05Å; W29-L282 HydrophobicContact CG-CD2 3.82Å; H265-L282 HydrophobicContact CB-CD1 3.87Å; H265-L282 WeakPolarHBondContact CE1-CG 3.19Å; H265-L282 VanDerWaalsContact ND1-CD1 3.33Å; H265-L282 WeakPolarHBondContact ND1-CD1 3.42Å; D280-L282 PolarHBondContact O-N 2.82Å; D280-L282 VanDerWaalsContact O-N 3.14Å; D280-L282 PolarHBondContact OD1-N 2.84Å
283R82.4Confident84.2Confident127 Ų12751 Ų5148%0.47928%0.282SS..SBendtrans-88145.5-175.2-63-177-170-153.1-3111.3D280 V285 N286D280-R283 HydrophobicContact CB-CB 4.49Å; D280-R283 HydrophobicContact CB-CG 4.07Å; D280-R283 PolarHBondContact O-N 2.89Å; D280-R283 VanDerWaalsContact O-N 3.1Å; D280-R283 WeakPolarHBondContact OD2-CD 3.43Å; D280-R283 IonicContact OD2-CZ 3.56Å; D280-R283 IonicContact OD2-NE 2.84Å; D280-R283 PolarHBondContact OD2-NE 3.36Å; D280-R283 IonicContact OD2-NH2 2.73Å; R283-V285 WeakPolarHBondContact CB-O 3.25Å; R283-V285 PolarHBondContact O-N 2.74Å; R283-N286 WeakPolarHBondContact O-CB 3.5Å
284N76.5Confident83.5Confident156 Ų15649.7 Ų49.783%0.83427%0.266SS*.SBendtrans-61.9-33.6170.6-72.3-29.2000111.9
285V82.2Confident82.6Confident32 Ų3253.2 Ų53.219%0.19427%0.266CS..SBendtrans-106.993.6168.4-167.50000107.6F22 W23 R283F22-V285 WeakPolarHBondContact O-CG1 3.45Å; W23-V285 HydrophobicContact CE3-CG2 3.92Å; W23-V285 HydrophobicContact CZ3-CG2 4.05Å; R283-V285 WeakPolarHBondContact CB-O 3.25Å; R283-V285 PolarHBondContact O-N 2.74Å
286N85.9Confident81.6Confident2 Ų250.4 Ų50.41%0.01125%0.252CS..  trans-95.71-165.263.9-2.7000114.3P25 V26 L27 Y279 D280 R283P25-N286 WeakPolarHBondContact CA-ND2 3.33Å; P25-N286 WeakPolarHBondContact CA-OD1 3.47Å; V26-N286 PolarHBondContact N-ND2 3.35Å; V26-N286 PolarHBondContact N-OD1 3.27Å; L27-N286 PolarHBondContact N-ND2 2.72Å; L27-N286 PolarHBondContact O-ND2 2.92Å; Y279-N286 CarbonylContact C-O 3.55Å; Y279-N286 WeakPolarHBondContact CA-O 3.36Å; Y279-N286 HydrophobicContact CD2-CB 4.45Å; Y279-N286 WeakPolarHBondContact CD2-O 3.35Å; Y279-N286 HydrophobicContact CE2-CB 4.07Å; D280-N286 PolarHBondContact N-O 3.4Å; D280-N286 VanDerWaalsContact O-CA 3.28Å; D280-N286 WeakPolarHBondContact O-CA 3.34Å; D280-N286 WeakPolarHBondContact O-CB 3.46Å; R283-N286 WeakPolarHBondContact O-CB 3.5Å
287L89.4Confident80.1Confident0 Ų054 Ų540%027%0.272CS..EExtended strand (participates in β ladder)trans-139.1121.1176.2179.369.3000109.6I8 S21 F22 V26 F270 M277 H278I8-L287 HydrophobicContact CD1-CD2 3.91Å; I8-L287 HydrophobicContact CG1-CD2 4.01Å; I8-L287 HydrophobicContact CG2-CD2 4Å; S21-L287 CarbonylContact C-O 3.52Å; F22-L287 HydrophobicContact CB-CB 4Å; F22-L287 HydrophobicContact CB-CD2 4.24Å; F22-L287 HydrophobicContact CB-CG 4.29Å; F22-L287 WeakPolarHBondContact CB-O 3.18Å; F22-L287 HydrophobicContact CG-CD2 4.35Å; F22-L287 PolarHBondContact N-O 3.35Å; V26-L287 HydrophobicContact CG2-CB 4.18Å; V26-L287 HydrophobicContact CG2-CD2 3.95Å; F270-L287 HydrophobicContact CE1-CD1 4.43Å; F270-L287 HydrophobicContact CE2-CD1 4.18Å; F270-L287 HydrophobicContact CZ-CD1 3.59Å; M277-L287 HydrophobicContact CB-CD1 3.87Å; M277-L287 HydrophobicContact CE-CD1 3.97Å; M277-L287 HydrophobicContact CE-CD2 4.06Å; M277-L287 HydrophobicContact CE-CG 3.64Å; H278-L287 CarbonylContact O-C 3.41Å; H278-L287 WeakPolarHBondContact O-CA 3.15Å
288I88.1Confident79.2Confident39 Ų3957.6 Ų57.620%0.229%0.291CS..EExtended strand (participates in β ladder)trans-131.4133.8-169.9-57.8175.3000109.3M277 H278M277-I288 CarbonylContact C-O 3.45Å; M277-I288 VanDerWaalsContact CA-O 3.23Å; M277-I288 WeakPolarHBondContact CA-O 3.34Å; H278-I288 PolarHBondContact N-O 3.12Å; H278-I288 PolarHBondContact O-N 2.92Å
289L87.6Confident78.8Confident25 Ų2557 Ų5713%0.13129%0.29CS..EExtended strand (participates in β ladder)trans-74.6131.3171177.467.5000109.8R20 H275 M277R20-L289 HydrophobicContact CB-CB 4.44Å; R20-L289 WeakPolarHBondContact O-CB 3.41Å; R20-L289 PolarHBondContact O-N 3.33Å; H275-L289 HydrophobicContact CB-CD1 3.7Å; M277-L289 HydrophobicContact CE-CB 4.28Å; M277-L289 VanDerWaalsContact SD-CA 3.55Å; M277-L289 HydrophobicContact SD-CB 3.81Å; M277-L289 HydrophobicContact SD-CD1 3.56Å; M277-L289 VanDerWaalsContact SD-CD1 3.56Å; M277-L289 HydrophobicContact SD-CG 4.31Å
290L84.3Confident78.5Confident48 Ų4857.4 Ų57.425%0.25129%0.292SS..  trans-98.2132.4177.8-57.2179000110.6W276 H278 K292 P294W276-L290 HydrophobicContact CB-CB 4.04Å; W276-L290 HydrophobicContact CB-CD1 4.14Å; W276-L290 WeakPolarHBondContact O-CB 3.21Å; W276-L290 PolarHBondContact O-N 3.3Å; H278-L290 HydrophobicContact CB-CD1 4.1Å; H278-L290 HydrophobicContact CB-CD2 3.9Å; H278-L290 HydrophobicContact CB-CG 4.13Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 VanDerWaalsContact CB-O 3.3Å; L290-K292 WeakPolarHBondContact CB-O 3.28Å; L290-K292 PolarHBondContact O-N 2.93Å; L290-P294 HydrophobicContact CD1-CB 4.19Å; L290-P294 HydrophobicContact CD1-CG 3.65Å
291N73.6Confident78.5Confident99 Ų9957.1 Ų57.153%0.52929%0.29SS..SBendtrans-72.8-22.1175.7-66.6-39.9000113.6Q18 D19Q18-N291 PolarHBondContact O-ND2 3.47Å; Q18-N291 PolarHBondContact O-OD1 3.5Å; D19-N291 PolarHBondContact OD1-ND2 3.2Å
292K70.4Confident78.9Confident122 Ų12256.9 Ų56.953%0.5329%0.288SS..SBendtrans-135.4156.2177.462.8-179-171.7176.60109L290 E295L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 VanDerWaalsContact CB-O 3.3Å; L290-K292 WeakPolarHBondContact CB-O 3.28Å; L290-K292 PolarHBondContact O-N 2.93Å; K292-E295 WeakPolarHBondContact CE-OE1 3.24Å; K292-E295 IonicContact NZ-OE1 3.77Å; K292-E295 PolarHBondContact NZ-OE1 2.84Å
293P69.3Low79.3Confident79 Ų7953 Ų5351%0.51327%0.268SS..  trans-50.2144169.9-25.334.6000110.6E295P293-E295 PolarHBondContact O-N 2.92Å
294P70.4Confident79.9Confident19 Ų1947 Ų4712%0.12325%0.245CC..  trans-54.5133.1179.3-14.321.3000110.3A269 W276 L290 F296A269-P294 HydrophobicContact CB-CB 4.28Å; A269-P294 HydrophobicContact CB-CG 3.52Å; W276-P294 HydrophobicContact CD2-CG 4.18Å; W276-P294 HydrophobicContact CE3-CG 3.84Å; W276-P294 HydrophobicContact CZ3-CG 4.28Å; L290-P294 HydrophobicContact CD1-CB 4.19Å; L290-P294 HydrophobicContact CD1-CG 3.65Å; P294-F296 VanDerWaalsContact C-N 3.34Å; P294-F296 HydrophobicContact CB-CD1 3.87Å; P294-F296 HydrophobicContact CB-CE1 3.66Å; P294-F296 HydrophobicContact CB-CE2 4.4Å; P294-F296 HydrophobicContact CB-CG 4.33Å; P294-F296 HydrophobicContact CB-CZ 3.94Å; P294-F296 HydrophobicContact CG-CD1 4.3Å; P294-F296 HydrophobicContact CG-CE1 3.57Å; P294-F296 HydrophobicContact CG-CE2 4.41Å; P294-F296 HydrophobicContact CG-CZ 3.63Å; P294-F296 WeakPolarHBondContact O-CD2 3.29Å; P294-F296 VanDerWaalsContact O-CE2 3.3Å; P294-F296 WeakPolarHBondContact O-CE2 3.34Å; P294-F296 WeakPolarHBondContact O-CG 3.39Å; P294-F296 PolarHBondContact O-N 3.41Å
295E66.8Low80.8Confident134 Ų13440 Ų4063%0.62621%0.208SC*.  trans-73.598.2163-74.5175.1-167.800106.2K292 P293 L297K292-E295 WeakPolarHBondContact CE-OE1 3.24Å; K292-E295 IonicContact NZ-OE1 3.77Å; K292-E295 PolarHBondContact NZ-OE1 2.84Å; P293-E295 PolarHBondContact O-N 2.92Å; E295-L297 HydrophobicContact CB-CD1 4.46Å; E295-L297 PolarHBondContact O-N 2.85Å
296F65.4Low81.4Confident26 Ų2640.6 Ų40.611%0.11421%0.206CC..  trans-72.844.1-168.4-66.4-72.8000113.7V240 L253 A256 L258 W276 P294 L298 L299V240-F296 HydrophobicContact CB-CD2 4.23Å; V240-F296 HydrophobicContact CG2-CB 4.1Å; V240-F296 HydrophobicContact CG2-CD2 3.87Å; V240-F296 HydrophobicContact CG2-CG 4.26Å; L253-F296 HydrophobicContact CD2-CE2 4.17Å; L253-F296 HydrophobicContact CD2-CZ 4.18Å; A256-F296 HydrophobicContact CB-CD1 3.94Å; A256-F296 HydrophobicContact CB-CE1 3.67Å; L258-F296 HydrophobicContact CD2-CD1 4.19Å; W276-F296 AromaticContact CH2-CZ 3.82Å; W276-F296 HydrophobicContact CH2-CZ 3.82Å; W276-F296 HydrophobicContact CZ2-CZ 4.15Å; W276-F296 HydrophobicContact CZ3-CE1 4.49Å; W276-F296 HydrophobicContact CZ3-CZ 4.11Å; P294-F296 VanDerWaalsContact C-N 3.34Å; P294-F296 HydrophobicContact CB-CD1 3.87Å; P294-F296 HydrophobicContact CB-CE1 3.66Å; P294-F296 HydrophobicContact CB-CE2 4.4Å; P294-F296 HydrophobicContact CB-CG 4.33Å; P294-F296 HydrophobicContact CB-CZ 3.94Å; P294-F296 HydrophobicContact CG-CD1 4.3Å; P294-F296 HydrophobicContact CG-CE1 3.57Å; P294-F296 HydrophobicContact CG-CE2 4.41Å; P294-F296 HydrophobicContact CG-CZ 3.63Å; P294-F296 WeakPolarHBondContact O-CD2 3.29Å; P294-F296 VanDerWaalsContact O-CE2 3.3Å; P294-F296 WeakPolarHBondContact O-CE2 3.34Å; P294-F296 WeakPolarHBondContact O-CG 3.39Å; P294-F296 PolarHBondContact O-N 3.41Å; F296-L298 PolarHBondContact O-N 2.84Å; F296-L298 VanDerWaalsContact O-N 3.1Å; F296-L299 HydrophobicContact CB-CD1 3.7Å; F296-L299 HydrophobicContact CB-CD2 3.8Å; F296-L299 HydrophobicContact CB-CG 3.65Å; F296-L299 HydrophobicContact CD1-CD2 3.65Å; F296-L299 HydrophobicContact CD1-CG 4.46Å; F296-L299 HydrophobicContact CG-CD1 4.47Å; F296-L299 HydrophobicContact CG-CD2 4.03Å; F296-L299 HydrophobicContact CG-CG 4.42Å; F296-L299 VanDerWaalsContact O-CG 3.3Å; F296-L299 WeakPolarHBondContact O-CG 3.45Å
297L59.6Low81.7Confident97 Ų9741.9 Ų41.951%0.50822%0.218SC..THydrogen-bonded Turntrans-73.2-0.5-174.4-65.3169.6000114S234 E295S234-L297 WeakPolarHBondContact CB-O 3.4Å; E295-L297 HydrophobicContact CB-CD1 4.46Å; E295-L297 PolarHBondContact O-N 2.85Å
298L70.6Confident81.2Confident80 Ų8045.1 Ų45.142%0.41924%0.238SC..THydrogen-bonded Turntrans-13537-177.4-66.4176.2000111.8L258 F259 N260 F296 S300L258-L298 CarbonylContact C-O 3.54Å; L258-L298 WeakPolarHBondContact CA-O 3.27Å; F259-L298 PolarHBondContact N-O 3.1Å; N260-L298 HydrophobicContact CB-CD1 4.46Å; F296-L298 PolarHBondContact O-N 2.84Å; F296-L298 VanDerWaalsContact O-N 3.1Å; L298-S300 PolarHBondContact O-N 2.75Å
299L80.9Confident79.8Confident18 Ų1853 Ų539%0.09427%0.273CS..EExtended strand (participates in β ladder)trans-62.6128-177-74.6168.1000112.5M229 L237 V240 A256 L258 F296 L302M229-L299 HydrophobicContact CB-CB 4.03Å; M229-L299 HydrophobicContact CG-CB 4.32Å; L237-L299 HydrophobicContact CD1-CD1 4.1Å; L237-L299 HydrophobicContact CD2-CD1 4.4Å; V240-L299 HydrophobicContact CG2-CD1 3.9Å; A256-L299 HydrophobicContact CB-CD2 3.63Å; L258-L299 HydrophobicContact CD2-CD2 4.12Å; F296-L299 HydrophobicContact CB-CD1 3.7Å; F296-L299 HydrophobicContact CB-CD2 3.8Å; F296-L299 HydrophobicContact CB-CG 3.65Å; F296-L299 HydrophobicContact CD1-CD2 3.65Å; F296-L299 HydrophobicContact CD1-CG 4.46Å; F296-L299 HydrophobicContact CG-CD1 4.47Å; F296-L299 HydrophobicContact CG-CD2 4.03Å; F296-L299 HydrophobicContact CG-CG 4.42Å; F296-L299 VanDerWaalsContact O-CG 3.3Å; F296-L299 WeakPolarHBondContact O-CG 3.45Å; L299-L302 HydrophobicContact CD1-CD1 4.37Å; L299-L302 HydrophobicContact CD1-CD2 3.88Å; L299-L302 HydrophobicContact CD1-CG 4.22Å; L299-L302 HydrophobicContact CD2-CD2 3.43Å; L299-L302 VanDerWaalsContact CD2-CD2 3.43Å; L299-L302 HydrophobicContact CD2-CG 4.13Å; L299-L302 HydrophobicContact CG-CD2 4.29Å
300S86.6Confident77.6Confident8 Ų864.4 Ų64.46%0.05632%0.322CS..EExtended strand (participates in β ladder)trans-99.7-49.2164.9-170.50000110E135 M229 Q230 T257 L298E135-S300 VanDerWaalsContact OE2-C 3.26Å; E135-S300 WeakPolarHBondContact OE2-CB 3.32Å; E135-S300 PolarHBondContact OE2-OG 2.91Å; M229-S300 CarbonylContact C-O 3.57Å; M229-S300 WeakPolarHBondContact CA-O 3.24Å; M229-S300 WeakPolarHBondContact CB-O 3.33Å; M229-S300 PolarHBondContact N-O 3.45Å; Q230-S300 PolarHBondContact N-O 3.07Å; T257-S300 PolarHBondContact O-N 3.19Å; L298-S300 PolarHBondContact O-N 2.75Å
301S90Very high77.2Confident0 Ų065.3 Ų65.30%033%0.326CS..EExtended strand (participates in β ladder)trans-144.5156.1169.5-58.50000112.7E135 L227 A256 T257E135-S301 WeakPolarHBondContact OE1-CB 3.24Å; E135-S301 PolarHBondContact OE1-OG 2.92Å; E135-S301 WeakPolarHBondContact OE2-CB 3.47Å; E135-S301 PolarHBondContact OE2-N 2.77Å; E135-S301 PolarHBondContact OE2-OG 3.25Å; L227-S301 VanDerWaalsContact O-CA 3.25Å; L227-S301 WeakPolarHBondContact O-CA 3.34Å; L227-S301 WeakPolarHBondContact O-CB 3.46Å; A256-S301 CarbonylContact C-O 3.55Å; A256-S301 WeakPolarHBondContact CA-O 2.7Å; A256-S301 WeakPolarHBondContact CB-O 3.37Å; T257-S301 PolarHBondContact N-O 2.82Å; T257-S301 PolarHBondContact O-N 2.93Å; T257-S301 WeakPolarHBondContact OG1-CB 3.47Å; T257-S301 PolarHBondContact OG1-N 2.8Å
302L92.1Very high77.4Confident0 Ų063.5 Ų63.50%032%0.315CS..EExtended strand (participates in β ladder)trans-107.4137.2170.2-65.1167.5000109.7I186 V226 L227 M229 V240 L253 A256 L299 Y304I186-L302 HydrophobicContact CD1-CD1 3.91Å; V226-L302 CarbonylContact C-O 3.58Å; V226-L302 WeakPolarHBondContact CA-O 3.4Å; L227-L302 HydrophobicContact CB-CB 4.31Å; L227-L302 PolarHBondContact N-O 3.3Å; L227-L302 PolarHBondContact O-N 2.95Å; M229-L302 HydrophobicContact CE-CD1 4.04Å; M229-L302 HydrophobicContact CG-CD1 4.05Å; M229-L302 HydrophobicContact CG-CG 3.86Å; M229-L302 HydrophobicContact SD-CD1 3.8Å; M229-L302 HydrophobicContact SD-CG 4.26Å; V240-L302 HydrophobicContact CG1-CD1 3.76Å; V240-L302 HydrophobicContact CG1-CD2 3.76Å; V240-L302 HydrophobicContact CG1-CG 4.44Å; L253-L302 HydrophobicContact CD1-CB 4.27Å; L253-L302 HydrophobicContact CD1-CD2 3.89Å; A256-L302 HydrophobicContact CB-CD2 4.04Å; L299-L302 HydrophobicContact CD1-CD1 4.37Å; L299-L302 HydrophobicContact CD1-CD2 3.88Å; L299-L302 HydrophobicContact CD1-CG 4.22Å; L299-L302 HydrophobicContact CD2-CD2 3.43Å; L299-L302 VanDerWaalsContact CD2-CD2 3.43Å; L299-L302 HydrophobicContact CD2-CG 4.13Å; L299-L302 HydrophobicContact CG-CD2 4.29Å; L302-Y304 HydrophobicContact CB-CD2 4.2Å; L302-Y304 HydrophobicContact CB-CE2 3.62Å; L302-Y304 HydrophobicContact CD1-CE2 4.14Å; L302-Y304 HydrophobicContact CG-CE2 4.46Å
303V93.9Very high77.8Confident3 Ų360.2 Ų60.22%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-113.5116.4179.3-171.60000108.8L65 I69 F224 V225 V226 E254 G255L65-V303 HydrophobicContact CD1-CG2 4.27Å; L65-V303 HydrophobicContact CD2-CG2 4.48Å; I69-V303 HydrophobicContact CD1-CG1 3.65Å; F224-V303 HydrophobicContact CD2-CG1 4.22Å; V225-V303 WeakPolarHBondContact O-CA 3.43Å; V226-V303 HydrophobicContact CG2-CG2 4.33Å; E254-V303 PolarHBondContact N-O 3.34Å; G255-V303 PolarHBondContact N-O 3.15Å; G255-V303 PolarHBondContact O-N 2.96Å
304Y94.8Very high78.3Confident0 Ų059.1 Ų59.10%029%0.291CS..EExtended strand (participates in β ladder)trans-111.6140.3174.3-63.4-111.3000110.8F224 V225 L227 P241 L244 L252 L253 L302F224-Y304 CarbonylContact C-O 3.58Å; F224-Y304 WeakPolarHBondContact CA-O 3.37Å; F224-Y304 WeakPolarHBondContact CB-O 3.17Å; V225-Y304 PolarHBondContact N-O 2.92Å; V225-Y304 PolarHBondContact O-N 2.82Å; L227-Y304 HydrophobicContact CD1-CD2 4.04Å; L227-Y304 HydrophobicContact CD1-CE2 3.6Å; L227-Y304 HydrophobicContact CG-CD2 4.17Å; L227-Y304 HydrophobicContact CG-CE2 4.15Å; P241-Y304 WeakPolarHBondContact O-CE1 3.2Å; P241-Y304 PolarHBondContact O-OH 3.31Å; L244-Y304 HydrophobicContact CB-CD1 4.33Å; L244-Y304 HydrophobicContact CB-CE1 4.21Å; L244-Y304 HydrophobicContact CD1-CD1 4.05Å; L244-Y304 HydrophobicContact CD1-CD2 4.11Å; L244-Y304 HydrophobicContact CD1-CE1 3.54Å; L244-Y304 HydrophobicContact CD1-CE2 3.6Å; L244-Y304 HydrophobicContact CD1-CG 4.34Å; L244-Y304 HydrophobicContact CG-CD1 4.23Å; L244-Y304 HydrophobicContact CG-CE1 3.64Å; L252-Y304 VanDerWaalsContact C-CD1 3.48Å; L252-Y304 CarbonylContact O-C 3.56Å; L252-Y304 WeakPolarHBondContact O-CA 3.44Å; L252-Y304 WeakPolarHBondContact O-CB 3.32Å; L253-Y304 HydrophobicContact CB-CD1 3.95Å; L253-Y304 HydrophobicContact CB-CE1 3.65Å; L253-Y304 HydrophobicContact CD1-CD2 4.25Å; L253-Y304 HydrophobicContact CD1-CE1 4.15Å; L253-Y304 HydrophobicContact CD1-CE2 3.86Å; L253-Y304 HydrophobicContact CG-CE1 4.48Å; L253-Y304 VanDerWaalsContact N-CD1 3.29Å; L302-Y304 HydrophobicContact CB-CD2 4.2Å; L302-Y304 HydrophobicContact CB-CE2 3.62Å; L302-Y304 HydrophobicContact CD1-CE2 4.14Å; L302-Y304 HydrophobicContact CG-CE2 4.46Å
305I95.5Very high78.8Confident8 Ų861.6 Ų61.64%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-101.5147.9174.264.7171.9000111I69 F76 P223 F224 Y251 L252 E254 A307I69-I305 HydrophobicContact CD1-CG2 4.13Å; I69-I305 HydrophobicContact CG1-CG2 3.92Å; I69-I305 HydrophobicContact CG2-CG2 3.93Å; F76-I305 HydrophobicContact CE2-CB 3.99Å; F76-I305 HydrophobicContact CE2-CG2 4.24Å; F76-I305 HydrophobicContact CZ-CB 4.45Å; P223-I305 CarbonylContact O-C 3.59Å; P223-I305 WeakPolarHBondContact O-CA 3.42Å; F224-I305 HydrophobicContact CB-CG2 4Å; Y251-I305 CarbonylContact C-O 3.49Å; Y251-I305 WeakPolarHBondContact CA-O 3.21Å; Y251-I305 WeakPolarHBondContact CD1-O 3.46Å; L252-I305 HydrophobicContact CB-CG1 4.02Å; L252-I305 PolarHBondContact N-O 2.88Å; L252-I305 PolarHBondContact O-N 3.2Å; E254-I305 HydrophobicContact CB-CB 4.39Å; E254-I305 HydrophobicContact CB-CD1 4.29Å; E254-I305 HydrophobicContact CB-CG1 4.05Å; E254-I305 HydrophobicContact CB-CG2 3.66Å; E254-I305 HydrophobicContact CG-CD1 4.06Å; E254-I305 HydrophobicContact CG-CG1 4.37Å; E254-I305 HydrophobicContact CG-CG2 3.89Å; E254-I305 WeakPolarHBondContact OE2-CD1 3.44Å; I305-A307 PolarHBondContact O-N 2.73Å
306R95Very high79.6Confident45 Ų4556.8 Ų56.817%0.1728%0.279CS..EExtended strand (participates in β ladder)trans-63.8125.6175.9-165176.267.8-143.4-8.2108.8F76 E79 A221 P223 Y251 T308F76-R306 HydrophobicContact CZ-CB 4.45Å; E79-R306 IonicContact OE1-NH2 2.91Å; E79-R306 PolarHBondContact OE1-NH2 3.22Å; E79-R306 IonicContact OE2-CZ 3.73Å; E79-R306 VanDerWaalsContact OE2-CZ 3.24Å; E79-R306 IonicContact OE2-NH1 3.69Å; E79-R306 PolarHBondContact OE2-NH1 2.91Å; E79-R306 IonicContact OE2-NH2 2.7Å; E79-R306 PolarHBondContact OE2-NH2 2.71Å; A221-R306 PolarHBondContact O-NH1 3.02Å; P223-R306 PolarHBondContact O-N 3.31Å; Y251-R306 HydrophobicContact CD1-CB 4.19Å; Y251-R306 HydrophobicContact CE1-CB 3.72Å; Y251-R306 HydrophobicContact CE1-CG 4.24Å; R306-T308 PolarHBondContact O-N 3.2Å
307A91.6Very high80.6Confident30 Ų3059 Ų5925%0.24829%0.291CS..PPolyproline II helixtrans-62.3124.6176.300000108.8K250 L252 I305K250-A307 HydrophobicContact CB-CB 4.11Å; K250-A307 HydrophobicContact CG-CB 4.2Å; K250-A307 VanDerWaalsContact O-CB 3.26Å; K250-A307 WeakPolarHBondContact O-CB 3.42Å; K250-A307 PolarHBondContact O-N 2.68Å; L252-A307 HydrophobicContact CD1-CB 3.98Å; L252-A307 HydrophobicContact CG-CB 4.03Å; I305-A307 PolarHBondContact O-N 2.73Å
308T78.2Confident82.2Confident68 Ų6856.1 Ų56.142%0.41727%0.274SS..PPolyproline II helixtrans-84.2126.8166.145.10000107.4R306 K310R306-T308 PolarHBondContact O-N 3.2Å; T308-K310 PolarHBondContact O-N 2.79Å
309E58.4Low83.2Confident203 Ų20354.1 Ų54.195%0.94926%0.262SS*.  trans-58.9114.3164.6-66.9-175.4170.900106.5
310K41.8Very low83.4Confident266 Ų26657.4 Ų57.4100%1.15728%0.278SS*.  trans-83.10172.4-81.1-173.4176.8177.40110.1T308T308-K310 PolarHBondContact O-N 2.79Å

Retrieved 310 of 310 residues in 322 ms (Link to these results)

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