A0A077ZNR2_TRITR Loading...

BTB 2 and zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 593 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
1M83.5Confident87.7Confident52 Ų5263.6 Ų63.626%0.25636%0.358SS..  0132.80-166.6176.6101.800108.7E5 F10 G36 L37 P38 I67M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 WeakPolarHBondContact CE-O 3.32Å; M1-E5 HydrophobicContact CG-CB 3.92Å; M1-E5 HydrophobicContact CG-CG 4.07Å; M1-E5 VanDerWaalsContact CG-O 3.27Å; M1-E5 WeakPolarHBondContact CG-O 3.39Å; M1-E5 VanDerWaalsContact SD-O 3.36Å; M1-F10 HydrophobicContact CB-CB 4.2Å; M1-F10 HydrophobicContact CB-CD1 4.11Å; M1-F10 HydrophobicContact CB-CD2 4.02Å; M1-F10 HydrophobicContact CB-CG 3.82Å; M1-F10 HydrophobicContact CG-CB 3.92Å; M1-F10 HydrophobicContact CG-CG 4.1Å; M1-F10 HydrophobicContact SD-CB 4.49Å; M1-G36 VanDerWaalsContact CB-O 3.31Å; M1-G36 WeakPolarHBondContact CB-O 3.42Å; M1-G36 PolarHBondContact N-O 3.41Å; M1-L37 HydrophobicContact SD-CD2 3.78Å; M1-P38 VanDerWaalsContact CE-CD 3.43Å; M1-P38 HydrophobicContact CE-CG 3.46Å; M1-P38 VanDerWaalsContact CE-CG 3.46Å; M1-I67 HydrophobicContact CE-CD1 3.88Å; M1-I67 HydrophobicContact SD-CD1 4.45Å
2K81.1Confident88.2Confident155 Ų15562.8 Ų62.867%0.67437%0.365SS*.  trans-72162.9170.9-60.2-177.6175.9-173.80110.3D4 E5K2-D4 VanDerWaalsContact C-N 3.27Å; K2-D4 PolarHBondContact O-N 2.87Å; K2-E5 HydrophobicContact CB-CB 3.91Å; K2-E5 PolarHBondContact N-OE2 3.42Å; K2-E5 PolarHBondContact O-N 3.29Å; K2-E5 VanDerWaalsContact O-N 3.13Å
3A71.8Confident88.6Confident95 Ų9566.1 Ų66.179%0.78537%0.372SS*.THydrogen-bonded Turntrans-53.8-39.7-174.700000113.7
4D78.6Confident89Confident160 Ų16063.1 Ų63.186%0.85636%0.355SS*.THydrogen-bonded Turntrans-108.312.8-179.1-50.8-54.1000113.5K2K2-D4 VanDerWaalsContact C-N 3.27Å; K2-D4 PolarHBondContact O-N 2.87Å
5E87.8Confident89.4Confident18 Ų1866.7 Ų66.78%0.08436%0.361CS..  trans-83.6123.4-179.6175.1176.3-139.900110.4M1 K2 T9 F10 K13M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 WeakPolarHBondContact CE-O 3.32Å; M1-E5 HydrophobicContact CG-CB 3.92Å; M1-E5 HydrophobicContact CG-CG 4.07Å; M1-E5 VanDerWaalsContact CG-O 3.27Å; M1-E5 WeakPolarHBondContact CG-O 3.39Å; M1-E5 VanDerWaalsContact SD-O 3.36Å; K2-E5 HydrophobicContact CB-CB 3.91Å; K2-E5 PolarHBondContact N-OE2 3.42Å; K2-E5 PolarHBondContact O-N 3.29Å; K2-E5 VanDerWaalsContact O-N 3.13Å; E5-T9 HydrophobicContact CG-CG2 4.15Å; E5-F10 HydrophobicContact CG-CB 4.22Å; E5-K13 VanDerWaalsContact OE1-CD 3.28Å; E5-K13 WeakPolarHBondContact OE1-CD 3.49Å; E5-K13 VanDerWaalsContact OE1-CE 3.26Å; E5-K13 WeakPolarHBondContact OE1-CE 3.28Å; E5-K13 IonicContact OE1-NZ 3.49Å; E5-K13 PolarHBondContact OE1-NZ 2.86Å
6P90.7Very high89.5Confident64 Ų6475.2 Ų75.242%0.41639%0.386SS..  trans-68.4149.6177.427-31.9000110.9D8 T9 F10P6-D8 PolarHBondContact O-N 3.25Å; P6-D8 VanDerWaalsContact O-N 3.07Å; P6-T9 WeakPolarHBondContact CG-OG1 3.45Å; P6-T9 PolarHBondContact O-N 3.29Å; P6-F10 PolarHBondContact O-N 2.97Å
7P92.7Very high89.6Confident5 Ų576.1 Ų76.13%0.03239%0.391CS..Hα-helixtrans-52-35.1-179.2-30.136.8000114.1F10 L11 F33 L60 A63 R64 I67P7-F10 PolarHBondContact O-N 2.92Å; P7-L11 WeakPolarHBondContact O-CB 3.38Å; P7-L11 PolarHBondContact O-N 3.46Å; P7-F33 HydrophobicContact CB-CE2 4.31Å; P7-F33 HydrophobicContact CB-CZ 4.05Å; P7-L60 HydrophobicContact CB-CD1 3.65Å; P7-A63 HydrophobicContact CB-CB 4.26Å; P7-A63 HydrophobicContact CG-CB 4.24Å; P7-R64 HydrophobicContact CB-CG 4.45Å; P7-R64 HydrophobicContact CG-CG 4.38Å; P7-I67 HydrophobicContact CG-CD1 3.42Å; P7-I67 VanDerWaalsContact CG-CD1 3.42Å
8D94.1Very high89.7Confident65 Ų6572.6 Ų72.635%0.34838%0.375SS..Hα-helixtrans-55.5-52.8174.6-71.7-96.7000113.5P6 F10 L11 A12 R64P6-D8 PolarHBondContact O-N 3.25Å; P6-D8 VanDerWaalsContact O-N 3.07Å; D8-F10 VanDerWaalsContact C-N 3.3Å; D8-F10 PolarHBondContact O-N 2.96Å; D8-L11 PolarHBondContact O-N 3.35Å; D8-A12 WeakPolarHBondContact O-CB 3.48Å; D8-A12 PolarHBondContact O-N 2.78Å; D8-R64 IonicContact OD1-CZ 3.27Å; D8-R64 IonicContact OD1-NE 3.02Å; D8-R64 PolarHBondContact OD1-NE 3.08Å; D8-R64 IonicContact OD1-NH2 2.73Å; D8-R64 PolarHBondContact OD1-NH2 3.23Å; D8-R64 IonicContact OD2-CZ 2.92Å; D8-R64 IonicContact OD2-NE 3.82Å; D8-R64 PolarHBondContact OD2-NE 3.06Å; D8-R64 IonicContact OD2-NH2 3.45Å
9T93.9Very high89.6Confident61 Ų6172.5 Ų72.537%0.37439%0.386SS..Hα-helixtrans-66-39.2-179.5-57.50000110.3E5 P6 A12 K13E5-T9 HydrophobicContact CG-CG2 4.15Å; P6-T9 WeakPolarHBondContact CG-OG1 3.45Å; P6-T9 PolarHBondContact O-N 3.29Å; T9-A12 PolarHBondContact O-N 3.09Å; T9-K13 WeakPolarHBondContact O-CG 3.24Å; T9-K13 PolarHBondContact O-N 3.22Å
10F95Very high89.4Confident23 Ų2375.9 Ų75.910%0.10140%0.403CS..Hα-helixtrans-63.4-45.5175.7178.2-119.9000112M1 E5 P6 P7 D8 A12 K13 L14 F33M1-F10 HydrophobicContact CB-CB 4.2Å; M1-F10 HydrophobicContact CB-CD1 4.11Å; M1-F10 HydrophobicContact CB-CD2 4.02Å; M1-F10 HydrophobicContact CB-CG 3.82Å; M1-F10 HydrophobicContact CG-CB 3.92Å; M1-F10 HydrophobicContact CG-CG 4.1Å; M1-F10 HydrophobicContact SD-CB 4.49Å; E5-F10 HydrophobicContact CG-CB 4.22Å; P6-F10 PolarHBondContact O-N 2.97Å; P7-F10 PolarHBondContact O-N 2.92Å; D8-F10 VanDerWaalsContact C-N 3.3Å; D8-F10 PolarHBondContact O-N 2.96Å; F10-A12 PolarHBondContact O-N 2.97Å; F10-K13 PolarHBondContact O-N 3.27Å; F10-L14 HydrophobicContact CD1-CD1 4.33Å; F10-L14 HydrophobicContact CE1-CD1 3.69Å; F10-L14 HydrophobicContact CE1-CG 4.47Å; F10-L14 HydrophobicContact CE2-CD1 4.29Å; F10-L14 HydrophobicContact CE2-CG 4.21Å; F10-L14 HydrophobicContact CZ-CD1 3.63Å; F10-L14 HydrophobicContact CZ-CD2 4.36Å; F10-L14 HydrophobicContact CZ-CG 4.02Å; F10-L14 PolarHBondContact O-N 3.13Å; F10-F33 AromaticContact CD1-CD2 3.77Å; F10-F33 HydrophobicContact CD1-CD2 3.77Å; F10-F33 AromaticContact CD1-CE2 3.94Å; F10-F33 HydrophobicContact CD1-CE2 3.94Å; F10-F33 AromaticContact CE1-CD2 3.97Å; F10-F33 HydrophobicContact CE1-CD2 3.97Å
11L95.6Very high89.1Confident2 Ų279.8 Ų79.81%0.0142%0.417CS..Hα-helixtrans-65-39176.9-17661.2000112.3P7 D8 K13 L14 R15 L29 F33 L56 L60P7-L11 WeakPolarHBondContact O-CB 3.38Å; P7-L11 PolarHBondContact O-N 3.46Å; D8-L11 PolarHBondContact O-N 3.35Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.29Å; L11-R15 PolarHBondContact O-N 3.49Å; L11-L29 HydrophobicContact CD1-CD2 4.34Å; L11-F33 HydrophobicContact CB-CD2 3.95Å; L11-F33 HydrophobicContact CB-CE2 3.88Å; L11-F33 HydrophobicContact CD1-CB 4.3Å; L11-F33 HydrophobicContact CD1-CD2 3.8Å; L11-F33 HydrophobicContact CD1-CE2 4.44Å; L11-F33 HydrophobicContact CD1-CG 4.2Å; L11-F33 HydrophobicContact CG-CD2 4.39Å; L11-L56 HydrophobicContact CD1-CD1 3.77Å; L11-L56 HydrophobicContact CD1-CD2 4.04Å; L11-L56 HydrophobicContact CD1-CG 4.09Å; L11-L56 HydrophobicContact CD2-CD2 4.35Å; L11-L56 HydrophobicContact CD2-CG 4.13Å; L11-L60 HydrophobicContact CB-CD1 4.48Å; L11-L60 HydrophobicContact CD2-CB 4.35Å; L11-L60 HydrophobicContact CD2-CD1 4.21Å; L11-L60 HydrophobicContact CD2-CD2 3.88Å; L11-L60 HydrophobicContact CD2-CG 4.37Å
12A93.6Very high89.1Confident54 Ų5481 Ų8145%0.44644%0.443SS..Hα-helixtrans-61.3-40.2175.500000111.8D8 T9 F10 R15 R16D8-A12 WeakPolarHBondContact O-CB 3.48Å; D8-A12 PolarHBondContact O-N 2.78Å; T9-A12 PolarHBondContact O-N 3.09Å; F10-A12 PolarHBondContact O-N 2.97Å; A12-R15 PolarHBondContact O-N 3.12Å; A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 3.49Å
13K94Very high89.1Confident105 Ų10575.8 Ų75.846%0.45743%0.433SS..Hα-helixtrans-64.3-41.7173.6-72.9174.4-174.8169.20112.1E5 T9 F10 L11 R16 L17E5-K13 VanDerWaalsContact OE1-CD 3.28Å; E5-K13 WeakPolarHBondContact OE1-CD 3.49Å; E5-K13 VanDerWaalsContact OE1-CE 3.26Å; E5-K13 WeakPolarHBondContact OE1-CE 3.28Å; E5-K13 IonicContact OE1-NZ 3.49Å; E5-K13 PolarHBondContact OE1-NZ 2.86Å; T9-K13 WeakPolarHBondContact O-CG 3.24Å; T9-K13 PolarHBondContact O-N 3.22Å; F10-K13 PolarHBondContact O-N 3.27Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.38Å; K13-R16 PolarHBondContact O-N 3.01Å; K13-L17 WeakPolarHBondContact O-CB 3.23Å; K13-L17 PolarHBondContact O-N 3.35Å
14L93.8Very high89.9Confident24 Ų2474.5 Ų74.513%0.12642%0.415CS..Hα-helixtrans-62.2-42.1174.3-75.4175.4000112.3F10 L11 L17 A18 L29 A32 F33F10-L14 HydrophobicContact CD1-CD1 4.33Å; F10-L14 HydrophobicContact CE1-CD1 3.69Å; F10-L14 HydrophobicContact CE1-CG 4.47Å; F10-L14 HydrophobicContact CE2-CD1 4.29Å; F10-L14 HydrophobicContact CE2-CG 4.21Å; F10-L14 HydrophobicContact CZ-CD1 3.63Å; F10-L14 HydrophobicContact CZ-CD2 4.36Å; F10-L14 HydrophobicContact CZ-CG 4.02Å; F10-L14 PolarHBondContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.29Å; L14-L17 PolarHBondContact O-N 3.42Å; L14-A18 WeakPolarHBondContact O-CB 3.34Å; L14-A18 PolarHBondContact O-N 3.23Å; L14-L29 HydrophobicContact CB-CD1 4.44Å; L14-A32 HydrophobicContact CD1-CB 4.23Å; L14-A32 HydrophobicContact CD2-CB 4.06Å; L14-F33 HydrophobicContact CD1-CB 3.96Å; L14-F33 HydrophobicContact CD1-CD2 4.31Å
15R94.6Very high90.5Very high118 Ų11870.1 Ų70.145%0.44540%0.398SS..Hα-helixtrans-62-44175.1-76.4-179.2172.4145.5-1.3112L11 A12 L17 A18 A19 L29L11-R15 PolarHBondContact O-N 3.49Å; A12-R15 PolarHBondContact O-N 3.12Å; R15-L17 VanDerWaalsContact C-N 3.34Å; R15-A18 PolarHBondContact O-N 2.93Å; R15-A19 PolarHBondContact O-N 3.32Å; R15-L29 HydrophobicContact CG-CD2 3.57Å
16R92.1Very high90.6Very high202 Ų20274.5 Ų74.576%0.76242%0.418SS*.Hα-helixtrans-64.3-40.1176.9-166.5174.6-177178.20.5111.6A12 K13 A19 L20A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 3.49Å; K13-R16 PolarHBondContact O-N 3.01Å; R16-A19 PolarHBondContact O-N 3.45Å; R16-L20 WeakPolarHBondContact O-CG 3.49Å; R16-L20 PolarHBondContact O-N 2.97Å
17L90.1Very high90.4Very high91 Ų9178.3 Ų78.348%0.47643%0.428SS..Hα-helixtrans-63.6-48.3174.6-169.971.4000111K13 L14 R15 A19 L20 F21K13-L17 WeakPolarHBondContact O-CB 3.23Å; K13-L17 PolarHBondContact O-N 3.35Å; L14-L17 PolarHBondContact O-N 3.42Å; R15-L17 VanDerWaalsContact C-N 3.34Å; L17-A19 VanDerWaalsContact C-N 3.27Å; L17-A19 PolarHBondContact O-N 3.09Å; L17-L20 WeakPolarHBondContact O-CB 3.37Å; L17-L20 PolarHBondContact O-N 3.3Å; L17-F21 HydrophobicContact CD1-CE2 3.98Å; L17-F21 HydrophobicContact CG-CD2 4.35Å; L17-F21 HydrophobicContact CG-CE2 4.01Å; L17-F21 VanDerWaalsContact O-CD2 3.25Å; L17-F21 WeakPolarHBondContact O-CD2 3.47Å; L17-F21 PolarHBondContact O-N 2.77Å
18A91.1Very high90.2Very high12 Ų1281.7 Ų81.710%0.09945%0.449CS..Hα-helixtrans-57.3-38.8176.800000112.9L14 R15 L20 F21 G23 V24 L29L14-A18 WeakPolarHBondContact O-CB 3.34Å; L14-A18 PolarHBondContact O-N 3.23Å; R15-A18 PolarHBondContact O-N 2.93Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 3.18Å; A18-F21 PolarHBondContact O-N 2.84Å; A18-F21 VanDerWaalsContact O-N 3.13Å; A18-G23 VanDerWaalsContact O-CA 3.3Å; A18-G23 WeakPolarHBondContact O-CA 3.17Å; A18-G23 PolarHBondContact O-N 3.43Å; A18-V24 HydrophobicContact CB-CB 4.43Å; A18-V24 HydrophobicContact CB-CG1 4.21Å; A18-V24 HydrophobicContact CB-CG2 3.6Å; A18-L29 HydrophobicContact CB-CD1 3.64Å
19A88.1Confident90.1Very high71 Ų7179.5 Ų79.559%0.58744%0.437SS*.Hα-helixtrans-62.5-35.717600000112.7R15 R16 L17 F21 G22R15-A19 PolarHBondContact O-N 3.32Å; R16-A19 PolarHBondContact O-N 3.45Å; L17-A19 VanDerWaalsContact C-N 3.27Å; L17-A19 PolarHBondContact O-N 3.09Å; A19-F21 PolarHBondContact O-N 3.24Å; A19-G22 PolarHBondContact O-N 2.82Å
20L86.2Confident90Very high140 Ų14077.2 Ų77.273%0.73342%0.424SS*.Hα-helixtrans-65.9-23175.7-66.3170.5000113R16 L17 A18R16-L20 WeakPolarHBondContact O-CG 3.49Å; R16-L20 PolarHBondContact O-N 2.97Å; L17-L20 WeakPolarHBondContact O-CB 3.37Å; L17-L20 PolarHBondContact O-N 3.3Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 3.18Å
21F82.4Confident89.7Confident159 Ų15980.1 Ų80.170%0.69745%0.446SS*.THydrogen-bonded Turntrans-96.816177.9-71.8-79.5000113.6L17 A18 A19 G23L17-F21 HydrophobicContact CD1-CE2 3.98Å; L17-F21 HydrophobicContact CG-CD2 4.35Å; L17-F21 HydrophobicContact CG-CE2 4.01Å; L17-F21 VanDerWaalsContact O-CD2 3.25Å; L17-F21 WeakPolarHBondContact O-CD2 3.47Å; L17-F21 PolarHBondContact O-N 2.77Å; A18-F21 PolarHBondContact O-N 2.84Å; A18-F21 VanDerWaalsContact O-N 3.13Å; A19-F21 PolarHBondContact O-N 3.24Å; F21-G23 VanDerWaalsContact C-N 3.32Å
22G83Confident89.6Confident78 Ų7881.9 Ų81.980%0.80446%0.461SS*.THydrogen-bonded Turntrans7914.7-178.100000114.3A19A19-G22 PolarHBondContact O-N 2.82Å
23G82.8Confident89.6Confident45 Ų4579.3 Ų79.346%0.46444%0.44SS..  trans93.4155.9-178.500000113.3A18 F21A18-G23 VanDerWaalsContact O-CA 3.3Å; A18-G23 WeakPolarHBondContact O-CA 3.17Å; A18-G23 PolarHBondContact O-N 3.43Å; F21-G23 VanDerWaalsContact C-N 3.32Å
24V88.4Confident89.6Confident67 Ų6775 Ų7541%0.40642%0.422SS..  trans-137.2157.5172.6-57.10000109A18 T28 L29A18-V24 HydrophobicContact CB-CB 4.43Å; A18-V24 HydrophobicContact CB-CG1 4.21Å; A18-V24 HydrophobicContact CB-CG2 3.6Å; V24-T28 HydrophobicContact CB-CG2 4.13Å; V24-T28 HydrophobicContact CG2-CG2 4.32Å; V24-L29 HydrophobicContact CG2-CB 4.17Å; V24-L29 HydrophobicContact CG2-CD1 3.54Å; V24-L29 HydrophobicContact CG2-CG 4.47Å
25S91.6Very high89.4Confident69 Ų6976.8 Ų76.848%0.48344%0.441SS..  trans-62.6150.8175720000111.2K27 T28 L29S25-K27 PolarHBondContact O-N 3.38Å; S25-T28 WeakPolarHBondContact O-CB 3.21Å; S25-T28 PolarHBondContact O-N 3.47Å; S25-T28 PolarHBondContact OG-N 2.91Å; S25-T28 PolarHBondContact OG-OG1 2.75Å; S25-L29 PolarHBondContact O-N 2.91Å
26E88.6Confident89.3Confident109 Ų10972.3 Ų72.351%0.50943%0.431SS..Hα-helixtrans-57-34.7177.6-159.1-167.9167.800111.6L29 A30 L56E26-L29 WeakPolarHBondContact O-CB 3.34Å; E26-L29 PolarHBondContact O-N 3.1Å; E26-A30 WeakPolarHBondContact O-CB 3.25Å; E26-A30 PolarHBondContact O-N 2.78Å; E26-L56 HydrophobicContact CG-CB 3.97Å; E26-L56 HydrophobicContact CG-CD2 4.21Å; E26-L56 VanDerWaalsContact OE1-CB 3.27Å; E26-L56 WeakPolarHBondContact OE1-CB 3.49Å; E26-L56 PolarHBondContact OE1-N 3.47Å
27K87.1Confident89.2Confident144 Ų14462.9 Ų62.963%0.62640%0.396SS*.Hα-helixtrans-63.2-42.3175.4-166.5172.2-174171.20112.4S25 L29 A30 C31S25-K27 PolarHBondContact O-N 3.38Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-A30 PolarHBondContact O-N 3.12Å; K27-C31 PolarHBondContact O-N 2.78Å; K27-C31 PolarHBondContact O-SG 3.18Å; K27-C31 VanDerWaalsContact O-SG 3.35Å
28T88.6Confident89.1Confident77 Ų7761 Ų6147%0.47239%0.39SS..Hα-helixtrans-65-41.5174.6-61.80000111.1V24 S25 A30 C31 A32V24-T28 HydrophobicContact CB-CG2 4.13Å; V24-T28 HydrophobicContact CG2-CG2 4.32Å; S25-T28 WeakPolarHBondContact O-CB 3.21Å; S25-T28 PolarHBondContact O-N 3.47Å; S25-T28 PolarHBondContact OG-N 2.91Å; S25-T28 PolarHBondContact OG-OG1 2.75Å; T28-A30 VanDerWaalsContact C-N 3.33Å; T28-A30 PolarHBondContact O-N 3.27Å; T28-C31 PolarHBondContact O-N 2.83Å; T28-A32 PolarHBondContact O-N 3.31Å
29L92.5Very high88.8Confident19 Ų1962.5 Ų62.510%0.09941%0.406CS..Hα-helixtrans-63.9-39.8177.2-148.879.2000111.6L11 L14 R15 A18 V24 S25 E26 K27 A32 F33 L56L11-L29 HydrophobicContact CD1-CD2 4.34Å; L14-L29 HydrophobicContact CB-CD1 4.44Å; R15-L29 HydrophobicContact CG-CD2 3.57Å; A18-L29 HydrophobicContact CB-CD1 3.64Å; V24-L29 HydrophobicContact CG2-CB 4.17Å; V24-L29 HydrophobicContact CG2-CD1 3.54Å; V24-L29 HydrophobicContact CG2-CG 4.47Å; S25-L29 PolarHBondContact O-N 2.91Å; E26-L29 WeakPolarHBondContact O-CB 3.34Å; E26-L29 PolarHBondContact O-N 3.1Å; K27-L29 VanDerWaalsContact C-N 3.34Å; L29-A32 PolarHBondContact O-N 3.02Å; L29-F33 WeakPolarHBondContact O-CB 3.42Å; L29-F33 PolarHBondContact O-N 3.01Å; L29-L56 HydrophobicContact CB-CD2 4.4Å; L29-L56 HydrophobicContact CD2-CD2 3.52Å; L29-L56 HydrophobicContact CG-CD2 4.34Å
30A91.5Very high88.6Confident13 Ų1365 Ų6511%0.10740%0.4CS..Hα-helixtrans-62.8-45.2174.700000112.3E26 K27 T28 A32 F33 V34 L56 L59E26-A30 WeakPolarHBondContact O-CB 3.25Å; E26-A30 PolarHBondContact O-N 2.78Å; K27-A30 PolarHBondContact O-N 3.12Å; T28-A30 VanDerWaalsContact C-N 3.33Å; T28-A30 PolarHBondContact O-N 3.27Å; A30-A32 PolarHBondContact O-N 3.29Å; A30-F33 PolarHBondContact O-N 3.31Å; A30-V34 WeakPolarHBondContact O-CG2 3.29Å; A30-V34 PolarHBondContact O-N 2.83Å; A30-L56 HydrophobicContact CB-CD1 4.09Å; A30-L59 HydrophobicContact CB-CD1 3.66Å
31C88.8Confident88.7Confident83 Ų8358.5 Ų58.556%0.56137%0.366SS*.Hα-helixtrans-59.5-45.9174.6-72.40000111.9K27 T28 F33 V34 A35K27-C31 PolarHBondContact O-N 2.78Å; K27-C31 PolarHBondContact O-SG 3.18Å; K27-C31 VanDerWaalsContact O-SG 3.35Å; T28-C31 PolarHBondContact O-N 2.83Å; C31-F33 VanDerWaalsContact C-N 3.33Å; C31-F33 PolarHBondContact O-N 2.66Å; C31-V34 PolarHBondContact O-N 3.48Å; C31-A35 VanDerWaalsContact O-CB 3.26Å; C31-A35 WeakPolarHBondContact O-CB 3.36Å; C31-A35 PolarHBondContact O-N 3.23Å
32A92.1Very high89Confident39 Ų3954.6 Ų54.632%0.32235%0.347SS..Hα-helixtrans-63.8-39.3177.600000112.1L14 T28 L29 A30 A35 G36L14-A32 HydrophobicContact CD1-CB 4.23Å; L14-A32 HydrophobicContact CD2-CB 4.06Å; T28-A32 PolarHBondContact O-N 3.31Å; L29-A32 PolarHBondContact O-N 3.02Å; A30-A32 PolarHBondContact O-N 3.29Å; A32-A35 PolarHBondContact O-N 2.87Å; A32-G36 PolarHBondContact O-N 2.98Å; A32-G36 VanDerWaalsContact O-N 3.08Å
33F95.1Very high89Confident0 Ų057.7 Ų57.70%034%0.341CS..Hα-helixtrans-60.9-53.9175.7-178.7-106.6000111.2P7 F10 L11 L14 L29 A30 C31 A35 G36 L37 L56 L59 L60 A63P7-F33 HydrophobicContact CB-CE2 4.31Å; P7-F33 HydrophobicContact CB-CZ 4.05Å; F10-F33 AromaticContact CD1-CD2 3.77Å; F10-F33 HydrophobicContact CD1-CD2 3.77Å; F10-F33 AromaticContact CD1-CE2 3.94Å; F10-F33 HydrophobicContact CD1-CE2 3.94Å; F10-F33 AromaticContact CE1-CD2 3.97Å; F10-F33 HydrophobicContact CE1-CD2 3.97Å; L11-F33 HydrophobicContact CB-CD2 3.95Å; L11-F33 HydrophobicContact CB-CE2 3.88Å; L11-F33 HydrophobicContact CD1-CB 4.3Å; L11-F33 HydrophobicContact CD1-CD2 3.8Å; L11-F33 HydrophobicContact CD1-CE2 4.44Å; L11-F33 HydrophobicContact CD1-CG 4.2Å; L11-F33 HydrophobicContact CG-CD2 4.39Å; L14-F33 HydrophobicContact CD1-CB 3.96Å; L14-F33 HydrophobicContact CD1-CD2 4.31Å; L29-F33 WeakPolarHBondContact O-CB 3.42Å; L29-F33 PolarHBondContact O-N 3.01Å; A30-F33 PolarHBondContact O-N 3.31Å; C31-F33 VanDerWaalsContact C-N 3.33Å; C31-F33 PolarHBondContact O-N 2.66Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 3.4Å; F33-G36 PolarHBondContact O-N 3.19Å; F33-L37 HydrophobicContact CD1-CD1 4.33Å; F33-L37 HydrophobicContact CE1-CD1 3.98Å; F33-L37 HydrophobicContact CE2-CD2 4.4Å; F33-L37 HydrophobicContact CZ-CD1 4.38Å; F33-L37 HydrophobicContact CZ-CD2 4.17Å; F33-L37 WeakPolarHBondContact O-CG 3.38Å; F33-L37 PolarHBondContact O-N 2.76Å; F33-L56 HydrophobicContact CB-CD1 4.2Å; F33-L56 HydrophobicContact CG-CD1 4.49Å; F33-L59 HydrophobicContact CD1-CB 4.13Å; F33-L59 HydrophobicContact CE1-CB 4.17Å; F33-L60 HydrophobicContact CE2-CD1 4.13Å; F33-L60 HydrophobicContact CZ-CB 4.38Å; F33-L60 HydrophobicContact CZ-CD1 3.78Å; F33-A63 HydrophobicContact CE1-CB 4.05Å; F33-A63 HydrophobicContact CZ-CB 3.97Å
34V92.1Very high89Confident15 Ų1559.2 Ų59.29%0.09134%0.337CS..Hα-helixtrans-61.6-39.3179.2175.40000112A30 C31 G36 R42 L59A30-V34 WeakPolarHBondContact O-CG2 3.29Å; A30-V34 PolarHBondContact O-N 2.83Å; C31-V34 PolarHBondContact O-N 3.48Å; V34-G36 VanDerWaalsContact C-N 3.3Å; V34-G36 PolarHBondContact O-N 3.32Å; V34-R42 HydrophobicContact CG1-CG 3.96Å; V34-R42 PolarHBondContact O-NE 3.43Å; V34-L59 HydrophobicContact CG2-CD1 4.03Å; V34-L59 HydrophobicContact CG2-CD2 3.93Å
35A90.8Very high88.8Confident62 Ų6256.1 Ų56.151%0.51232%0.319SS..Hα-helixtrans-65.3-30.9178.500000113.2C31 A32 F33 R42C31-A35 VanDerWaalsContact O-CB 3.26Å; C31-A35 WeakPolarHBondContact O-CB 3.36Å; C31-A35 PolarHBondContact O-N 3.23Å; A32-A35 PolarHBondContact O-N 2.87Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 3.4Å; A35-R42 PolarHBondContact O-NH2 3.2Å
36G91.3Very high88.1Confident24 Ų2460.1 Ų60.125%0.24732%0.323CS..Hα-helixtrans-92.2-1.4-177.800000116.2M1 A32 F33 V34M1-G36 VanDerWaalsContact CB-O 3.31Å; M1-G36 WeakPolarHBondContact CB-O 3.42Å; M1-G36 PolarHBondContact N-O 3.41Å; A32-G36 PolarHBondContact O-N 2.98Å; A32-G36 VanDerWaalsContact O-N 3.08Å; F33-G36 PolarHBondContact O-N 3.19Å; V34-G36 VanDerWaalsContact C-N 3.3Å; V34-G36 PolarHBondContact O-N 3.32Å
37L91.2Very high87.4Confident3 Ų359.1 Ų59.12%0.01633%0.334CS..SBendtrans-76.4154.2174-69.9172000112M1 F33 V41 R42 L45 A63M1-L37 HydrophobicContact SD-CD2 3.78Å; F33-L37 HydrophobicContact CD1-CD1 4.33Å; F33-L37 HydrophobicContact CE1-CD1 3.98Å; F33-L37 HydrophobicContact CE2-CD2 4.4Å; F33-L37 HydrophobicContact CZ-CD1 4.38Å; F33-L37 HydrophobicContact CZ-CD2 4.17Å; F33-L37 WeakPolarHBondContact O-CG 3.38Å; F33-L37 PolarHBondContact O-N 2.76Å; L37-V41 HydrophobicContact CB-CB 4.42Å; L37-V41 HydrophobicContact CB-CG1 4.44Å; L37-V41 HydrophobicContact CD1-CG1 4.09Å; L37-V41 HydrophobicContact CD2-CG1 4.5Å; L37-R42 PolarHBondContact O-NH2 2.93Å; L37-L45 HydrophobicContact CD1-CD1 3.27Å; L37-A63 HydrophobicContact CD1-CB 3.97Å; L37-A63 HydrophobicContact CD2-CB 4.21Å
38P88.8Confident85.9Confident53 Ų5354.8 Ų54.834%0.34433%0.33SS..  trans-54.4149.3173.1-24.333.6000112.6M1 R40 V41 R42M1-P38 VanDerWaalsContact CE-CD 3.43Å; M1-P38 HydrophobicContact CE-CG 3.46Å; M1-P38 VanDerWaalsContact CE-CG 3.46Å; P38-R40 VanDerWaalsContact C-N 3.3Å; P38-R40 PolarHBondContact O-N 2.5Å; P38-V41 HydrophobicContact CB-CG2 4.13Å; P38-V41 HydrophobicContact CG-CG2 4.2Å; P38-V41 PolarHBondContact O-N 2.61Å; P38-V41 VanDerWaalsContact O-N 3.11Å; P38-R42 PolarHBondContact O-N 2.84Å
39G84.7Confident84.4Confident43 Ų4352.9 Ų52.944%0.44332%0.322SS..Hα-helixtrans-52.7-44-173.900000113.8R42 Q43G39-R42 PolarHBondContact O-N 2.8Å; G39-Q43 WeakPolarHBondContact O-CG 3.3Å; G39-Q43 PolarHBondContact O-N 3.24Å
40R83.8Confident83.2Confident122 Ų12260.4 Ų60.446%0.4635%0.349SS..Hα-helixtrans-62.5-48.5177.1-174.7178-178.9-84.32.8112.7P38 R42 Q43 L44 D70P38-R40 VanDerWaalsContact C-N 3.3Å; P38-R40 PolarHBondContact O-N 2.5Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 3.27Å; R40-Q43 PolarHBondContact O-N 3.2Å; R40-L44 HydrophobicContact CG-CD1 4.16Å; R40-L44 PolarHBondContact O-N 3.16Å; R40-D70 IonicContact CZ-OD1 3.61Å; R40-D70 IonicContact CZ-OD2 3.61Å; R40-D70 IonicContact NE-OD1 2.68Å; R40-D70 IonicContact NE-OD2 3.79Å; R40-D70 IonicContact NH1-OD1 3.05Å; R40-D70 PolarHBondContact NH1-OD1 2.97Å; R40-D70 IonicContact NH1-OD2 2.68Å; R40-D70 PolarHBondContact NH1-OD2 3.43Å; R40-D70 IonicContact NH2-OD1 2.82Å; R40-D70 PolarHBondContact NH2-OD1 2.83Å
41V87.9Confident82Confident4 Ų461.6 Ų61.62%0.02436%0.355CS..Hα-helixtrans-61.7-41178.6-174.70000110.8L37 P38 L44 L45 A63 I66 I67L37-V41 HydrophobicContact CB-CB 4.42Å; L37-V41 HydrophobicContact CB-CG1 4.44Å; L37-V41 HydrophobicContact CD1-CG1 4.09Å; L37-V41 HydrophobicContact CD2-CG1 4.5Å; P38-V41 HydrophobicContact CB-CG2 4.13Å; P38-V41 HydrophobicContact CG-CG2 4.2Å; P38-V41 PolarHBondContact O-N 2.61Å; P38-V41 VanDerWaalsContact O-N 3.11Å; V41-L44 PolarHBondContact O-N 3.47Å; V41-L45 HydrophobicContact CG1-CD1 4.14Å; V41-L45 WeakPolarHBondContact O-CB 3.5Å; V41-L45 WeakPolarHBondContact O-CG 3.48Å; V41-L45 PolarHBondContact O-N 2.98Å; V41-A63 HydrophobicContact CG1-CB 4.29Å; V41-I66 HydrophobicContact CB-CG2 4.28Å; V41-I66 HydrophobicContact CG1-CB 4.27Å; V41-I66 HydrophobicContact CG1-CD1 4.3Å; V41-I66 HydrophobicContact CG1-CG2 4.07Å; V41-I66 HydrophobicContact CG2-CG2 4.11Å; V41-I67 HydrophobicContact CG1-CG1 4.45Å; V41-I67 HydrophobicContact CG2-CD1 4.2Å; V41-I67 HydrophobicContact CG2-CG1 3.72Å
42R88.8Confident81.1Confident78 Ų7865.5 Ų65.529%0.29437%0.365SS..Hα-helixtrans-64.3-40.3177.2-166.3-172.1-51.7152.910.2112.4V34 A35 L37 P38 G39 R40 R46V34-R42 HydrophobicContact CG1-CG 3.96Å; V34-R42 PolarHBondContact O-NE 3.43Å; A35-R42 PolarHBondContact O-NH2 3.2Å; L37-R42 PolarHBondContact O-NH2 2.93Å; P38-R42 PolarHBondContact O-N 2.84Å; G39-R42 PolarHBondContact O-N 2.8Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 3.27Å; R42-R46 VanDerWaalsContact O-CG 3.29Å; R42-R46 WeakPolarHBondContact O-CG 3.44Å; R42-R46 PolarHBondContact O-N 3.17Å
43Q82.1Confident80.4Confident143 Ų14369.6 Ų69.667%0.66838%0.377SS*.Hα-helixtrans-65.1-47175.8-79.2173.9-18.300111.4G39 R40 L45 R46 A47G39-Q43 WeakPolarHBondContact O-CG 3.3Å; G39-Q43 PolarHBondContact O-N 3.24Å; R40-Q43 PolarHBondContact O-N 3.2Å; Q43-L45 PolarHBondContact O-N 3.44Å; Q43-R46 PolarHBondContact O-N 3.39Å; Q43-A47 WeakPolarHBondContact O-CB 3.17Å; Q43-A47 PolarHBondContact O-N 2.82Å
44L83.7Confident79.8Confident76 Ų7670.9 Ų70.940%0.39838%0.384SS..Hα-helixtrans-65.1-38.9179.4-72.4170.5000112.7R40 V41 R46 A47 G48 I66R40-L44 HydrophobicContact CG-CD1 4.16Å; R40-L44 PolarHBondContact O-N 3.16Å; V41-L44 PolarHBondContact O-N 3.47Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.06Å; L44-A47 PolarHBondContact O-N 3.14Å; L44-G48 PolarHBondContact O-N 3.18Å; L44-I66 HydrophobicContact CB-CD1 3.79Å; L44-I66 HydrophobicContact CB-CG1 4.23Å; L44-I66 HydrophobicContact CB-CG2 4.2Å; L44-I66 HydrophobicContact CD1-CG2 3.51Å; L44-I66 HydrophobicContact CG-CG2 4.5Å
45L83.6Confident79.7Confident2 Ų272.4 Ų72.41%0.0140%0.395CS..Hα-helixtrans-60.1-39.4172.8-81.3169.6000112.7L37 V41 Q43 T51 R62 A63 I66L37-L45 HydrophobicContact CD1-CD1 3.27Å; V41-L45 HydrophobicContact CG1-CD1 4.14Å; V41-L45 WeakPolarHBondContact O-CB 3.5Å; V41-L45 WeakPolarHBondContact O-CG 3.48Å; V41-L45 PolarHBondContact O-N 2.98Å; Q43-L45 PolarHBondContact O-N 3.44Å; L45-T51 WeakPolarHBondContact O-CG2 3.37Å; L45-R62 HydrophobicContact CD2-CB 3.36Å; L45-R62 HydrophobicContact CD2-CG 4.43Å; L45-A63 HydrophobicContact CD1-CB 4.32Å; L45-I66 HydrophobicContact CD2-CD1 3.94Å; L45-I66 HydrophobicContact CG-CD1 3.69Å
46R78Confident79.7Confident154 Ų15469.6 Ų69.658%0.58137%0.372SS*.Hα-helixtrans-76.5-30179.6-73.6175.3177.1-179.1-2.9113R42 Q43 L44 G48R42-R46 VanDerWaalsContact O-CG 3.29Å; R42-R46 WeakPolarHBondContact O-CG 3.44Å; R42-R46 PolarHBondContact O-N 3.17Å; Q43-R46 PolarHBondContact O-N 3.39Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.06Å; R46-G48 VanDerWaalsContact C-N 3.35Å
47A72.3Confident79.7Confident88 Ų8873 Ų7373%0.72738%0.384SS*.Hα-helixtrans-72.3-27.417800000113Q43 L44Q43-A47 WeakPolarHBondContact O-CB 3.17Å; Q43-A47 PolarHBondContact O-N 2.82Å; L44-A47 PolarHBondContact O-N 3.14Å
48G56.1Low79.7Confident53 Ų5377.5 Ų77.555%0.54641%0.405SS..SBendtrans-100.1-9.6-170.100000117.4L44 R46L44-G48 PolarHBondContact O-N 3.18Å; R46-G48 VanDerWaalsContact C-N 3.35Å
49A57.6Low79.9Confident37 Ų3775 Ų7531%0.30639%0.389SS..SBendtrans-169.5171168.400000113.2T51 L54A49-T51 VanDerWaalsContact C-N 3.29Å; A49-T51 PolarHBondContact O-N 2.89Å; A49-L54 HydrophobicContact CB-CD1 4.35Å
50R66.9Low80.3Confident176 Ų17673.5 Ų73.566%0.66437%0.371SS*.  trans-6188.4160.8-66.2-172.2-111.2169.90.7109.9E52 E53R50-E52 PolarHBondContact O-N 2.76Å; R50-E53 HydrophobicContact CB-CB 4.37Å; R50-E53 HydrophobicContact CB-CG 4.03Å; R50-E53 WeakPolarHBondContact CD-OE1 3.43Å; R50-E53 IonicContact CZ-OE1 3.64Å; R50-E53 VanDerWaalsContact CZ-OE1 3.29Å; R50-E53 IonicContact CZ-OE2 3.41Å; R50-E53 IonicContact NE-OE1 2.75Å; R50-E53 IonicContact NE-OE2 2.68Å; R50-E53 IonicContact NH1-OE1 3.32Å; R50-E53 PolarHBondContact NH1-OE1 2.81Å; R50-E53 IonicContact NH1-OE2 3.61Å; R50-E53 PolarHBondContact O-N 2.71Å
51T66.4Low80.7Confident38 Ų3870.2 Ų70.223%0.23337%0.369CS..THydrogen-bonded Turntrans-54.4-19179.1340000113.9L45 A49 E53 L54 L59L45-T51 WeakPolarHBondContact O-CG2 3.37Å; A49-T51 VanDerWaalsContact C-N 3.29Å; A49-T51 PolarHBondContact O-N 2.89Å; T51-E53 VanDerWaalsContact C-N 3.35Å; T51-L54 HydrophobicContact CG2-CD1 4.49Å; T51-L59 HydrophobicContact CG2-CD2 4.11Å
52E70.7Confident80.9Confident166 Ų16674.1 Ų74.178%0.77638%0.384SS*.THydrogen-bonded Turntrans-76.9-19.5178.6-46.2-169.4-150.400113.7R50R50-E52 PolarHBondContact O-N 2.76Å
53E77.4Confident81Confident125 Ų12570.4 Ų70.458%0.58437%0.37SS*.SBendtrans-96.9-7.4179.6-63.7177.2172.600112.2R50 T51R50-E53 HydrophobicContact CB-CB 4.37Å; R50-E53 HydrophobicContact CB-CG 4.03Å; R50-E53 WeakPolarHBondContact CD-OE1 3.43Å; R50-E53 IonicContact CZ-OE1 3.64Å; R50-E53 VanDerWaalsContact CZ-OE1 3.29Å; R50-E53 IonicContact CZ-OE2 3.41Å; R50-E53 IonicContact NE-OE1 2.75Å; R50-E53 IonicContact NE-OE2 2.68Å; R50-E53 IonicContact NH1-OE1 3.32Å; R50-E53 PolarHBondContact NH1-OE1 2.81Å; R50-E53 IonicContact NH1-OE2 3.61Å; R50-E53 PolarHBondContact O-N 2.71Å; T51-E53 VanDerWaalsContact C-N 3.35Å
54L82.6Confident81.4Confident27 Ų2768.8 Ų68.814%0.14136%0.357CS..SBendtrans-87.1131.9-178.1-62.9173000111A49 T51 Q58 L59A49-L54 HydrophobicContact CB-CD1 4.35Å; T51-L54 HydrophobicContact CG2-CD1 4.49Å; L54-Q58 VanDerWaalsContact CA-OE1 3.27Å; L54-Q58 HydrophobicContact CB-CB 4.1Å; L54-Q58 HydrophobicContact CD2-CB 4.03Å; L54-L59 HydrophobicContact CB-CD2 4.07Å; L54-L59 HydrophobicContact CB-CG 3.91Å; L54-L59 HydrophobicContact CD1-CD2 3.79Å; L54-L59 HydrophobicContact CD1-CG 4.45Å
55S89.9Confident81.6Confident46 Ų4668 Ų6832%0.32236%0.362SS..  trans-64.3160.2167.5730000110.7N57 Q58 L59S55-N57 PolarHBondContact O-N 2.98Å; S55-Q58 WeakPolarHBondContact O-CB 3.37Å; S55-Q58 PolarHBondContact O-N 2.86Å; S55-Q58 WeakPolarHBondContact OG-CG 3.2Å; S55-Q58 PolarHBondContact OG-N 2.75Å; S55-L59 PolarHBondContact O-N 2.77Å
56L91.1Very high81.8Confident4 Ų469.1 Ų69.12%0.02137%0.368CS..Hα-helixtrans-57.9-35178.8-17665.4000112.3L11 E26 L29 A30 F33 L59 L60L11-L56 HydrophobicContact CD1-CD1 3.77Å; L11-L56 HydrophobicContact CD1-CD2 4.04Å; L11-L56 HydrophobicContact CD1-CG 4.09Å; L11-L56 HydrophobicContact CD2-CD2 4.35Å; L11-L56 HydrophobicContact CD2-CG 4.13Å; E26-L56 HydrophobicContact CG-CB 3.97Å; E26-L56 HydrophobicContact CG-CD2 4.21Å; E26-L56 VanDerWaalsContact OE1-CB 3.27Å; E26-L56 WeakPolarHBondContact OE1-CB 3.49Å; E26-L56 PolarHBondContact OE1-N 3.47Å; L29-L56 HydrophobicContact CB-CD2 4.4Å; L29-L56 HydrophobicContact CD2-CD2 3.52Å; L29-L56 HydrophobicContact CG-CD2 4.34Å; A30-L56 HydrophobicContact CB-CD1 4.09Å; F33-L56 HydrophobicContact CB-CD1 4.2Å; F33-L56 HydrophobicContact CG-CD1 4.49Å; L56-L59 PolarHBondContact O-N 2.08Å; L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 PolarHBondContact O-N 3.31Å
57N90.7Very high82.2Confident96 Ų9664.3 Ų64.351%0.51335%0.353SS..Hα-helixtrans-68.9-36.2176.6-68.8-29000112.1S55 L60 A61S55-N57 PolarHBondContact O-N 2.98Å; N57-L60 PolarHBondContact O-N 3.38Å; N57-A61 WeakPolarHBondContact O-CB 3.18Å; N57-A61 PolarHBondContact O-N 3.38Å
58Q91.1Very high82.4Confident96 Ų9664.2 Ų64.245%0.44934%0.343SS..Hα-helixtrans-69.3-39.6175.1-71.5170.3-29.200111.7L54 S55 A61 R62L54-Q58 VanDerWaalsContact CA-OE1 3.27Å; L54-Q58 HydrophobicContact CB-CB 4.1Å; L54-Q58 HydrophobicContact CD2-CB 4.03Å; S55-Q58 WeakPolarHBondContact O-CB 3.37Å; S55-Q58 PolarHBondContact O-N 2.86Å; S55-Q58 WeakPolarHBondContact OG-CG 3.2Å; S55-Q58 PolarHBondContact OG-N 2.75Å; Q58-A61 PolarHBondContact O-N 3.03Å; Q58-R62 WeakPolarHBondContact O-CG 3.08Å; Q58-R62 PolarHBondContact O-N 3.36Å; Q58-R62 VanDerWaalsContact O-N 3.08Å
59L92.8Very high82.7Confident2 Ų268.7 Ų68.71%0.0136%0.355CS..Hα-helixtrans-61.5-44.3173-72.1169.4000111.6A30 F33 V34 T51 L54 S55 L56 R62 A63A30-L59 HydrophobicContact CB-CD1 3.66Å; F33-L59 HydrophobicContact CD1-CB 4.13Å; F33-L59 HydrophobicContact CE1-CB 4.17Å; V34-L59 HydrophobicContact CG2-CD1 4.03Å; V34-L59 HydrophobicContact CG2-CD2 3.93Å; T51-L59 HydrophobicContact CG2-CD2 4.11Å; L54-L59 HydrophobicContact CB-CD2 4.07Å; L54-L59 HydrophobicContact CB-CG 3.91Å; L54-L59 HydrophobicContact CD1-CD2 3.79Å; L54-L59 HydrophobicContact CD1-CG 4.45Å; S55-L59 PolarHBondContact O-N 2.77Å; L56-L59 PolarHBondContact O-N 2.08Å; L59-R62 PolarHBondContact O-N 3.14Å; L59-A63 WeakPolarHBondContact O-CB 3.47Å; L59-A63 PolarHBondContact O-N 3.21Å
60L93.8Very high82.6Confident11 Ų1170.7 Ų70.76%0.05836%0.36CS..Hα-helixtrans-60.5-48.3175.618066.8000111.6P7 L11 F33 L56 N57 R62 A63 R64P7-L60 HydrophobicContact CB-CD1 3.65Å; L11-L60 HydrophobicContact CB-CD1 4.48Å; L11-L60 HydrophobicContact CD2-CB 4.35Å; L11-L60 HydrophobicContact CD2-CD1 4.21Å; L11-L60 HydrophobicContact CD2-CD2 3.88Å; L11-L60 HydrophobicContact CD2-CG 4.37Å; F33-L60 HydrophobicContact CE2-CD1 4.13Å; F33-L60 HydrophobicContact CZ-CB 4.38Å; F33-L60 HydrophobicContact CZ-CD1 3.78Å; L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 PolarHBondContact O-N 3.31Å; N57-L60 PolarHBondContact O-N 3.38Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.42Å; L60-A63 PolarHBondContact O-N 3.07Å; L60-R64 WeakPolarHBondContact O-CG 3.42Å; L60-R64 PolarHBondContact O-N 2.82Å
61A92Very high81.4Confident52 Ų5271.4 Ų71.443%0.4336%0.363SS..Hα-helixtrans-58.8-4218000000112.2N57 Q58 R64 A65N57-A61 WeakPolarHBondContact O-CB 3.18Å; N57-A61 PolarHBondContact O-N 3.38Å; Q58-A61 PolarHBondContact O-N 3.03Å; A61-R64 PolarHBondContact O-N 3.05Å; A61-A65 PolarHBondContact O-N 3.04Å
62R90.4Very high79.9Confident87 Ų8774.4 Ų74.433%0.32838%0.383SS..Hα-helixtrans-71.2-40177.1-71.4-176176.7-164.9-0.9113L45 Q58 L59 L60 R64 A65 I66L45-R62 HydrophobicContact CD2-CB 3.36Å; L45-R62 HydrophobicContact CD2-CG 4.43Å; Q58-R62 WeakPolarHBondContact O-CG 3.08Å; Q58-R62 PolarHBondContact O-N 3.36Å; Q58-R62 VanDerWaalsContact O-N 3.08Å; L59-R62 PolarHBondContact O-N 3.14Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.42Å; R62-R64 VanDerWaalsContact C-N 3.28Å; R62-R64 PolarHBondContact O-N 3.33Å; R62-A65 PolarHBondContact O-N 3.45Å; R62-I66 WeakPolarHBondContact O-CD1 3.1Å; R62-I66 VanDerWaalsContact O-CG1 3.28Å; R62-I66 WeakPolarHBondContact O-CG1 3.24Å; R62-I66 PolarHBondContact O-N 2.85Å
63A91.7Very high78.2Confident0 Ų071.9 Ų71.90%039%0.391CS..Hα-helixtrans-59.9-40.6174.800000111.3P7 F33 L37 V41 L45 L59 L60 I67P7-A63 HydrophobicContact CB-CB 4.26Å; P7-A63 HydrophobicContact CG-CB 4.24Å; F33-A63 HydrophobicContact CE1-CB 4.05Å; F33-A63 HydrophobicContact CZ-CB 3.97Å; L37-A63 HydrophobicContact CD1-CB 3.97Å; L37-A63 HydrophobicContact CD2-CB 4.21Å; V41-A63 HydrophobicContact CG1-CB 4.29Å; L45-A63 HydrophobicContact CD1-CB 4.32Å; L59-A63 WeakPolarHBondContact O-CB 3.47Å; L59-A63 PolarHBondContact O-N 3.21Å; L60-A63 PolarHBondContact O-N 3.07Å; A63-I67 WeakPolarHBondContact O-CD1 3.3Å; A63-I67 VanDerWaalsContact O-CG1 3.3Å; A63-I67 WeakPolarHBondContact O-CG1 3.37Å; A63-I67 PolarHBondContact O-N 2.77Å; A63-I67 VanDerWaalsContact O-N 3.16Å
64R91Very high76Confident108 Ų10872.2 Ų72.241%0.40840%0.395SS..Hα-helixtrans-60.3-50.2172.6-70.9177.7-173.2162.64.3111.5P7 D8 L60 A61 R62 I66 I67 V68P7-R64 HydrophobicContact CB-CG 4.45Å; P7-R64 HydrophobicContact CG-CG 4.38Å; D8-R64 IonicContact OD1-CZ 3.27Å; D8-R64 IonicContact OD1-NE 3.02Å; D8-R64 PolarHBondContact OD1-NE 3.08Å; D8-R64 IonicContact OD1-NH2 2.73Å; D8-R64 PolarHBondContact OD1-NH2 3.23Å; D8-R64 IonicContact OD2-CZ 2.92Å; D8-R64 IonicContact OD2-NE 3.82Å; D8-R64 PolarHBondContact OD2-NE 3.06Å; D8-R64 IonicContact OD2-NH2 3.45Å; L60-R64 WeakPolarHBondContact O-CG 3.42Å; L60-R64 PolarHBondContact O-N 2.82Å; A61-R64 PolarHBondContact O-N 3.05Å; R62-R64 VanDerWaalsContact C-N 3.28Å; R62-R64 PolarHBondContact O-N 3.33Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 3.17Å; R64-I67 PolarHBondContact O-N 3.19Å; R64-V68 VanDerWaalsContact O-CG2 3.26Å; R64-V68 WeakPolarHBondContact O-CG2 3.42Å; R64-V68 PolarHBondContact O-N 2.89Å
65A87.9Confident73.4Confident60 Ų6080.4 Ų80.450%0.49643%0.43SS..Hα-helixtrans-57.6-46.2-179.100000112A61 R62 I67 V68 D69A61-A65 PolarHBondContact O-N 3.04Å; R62-A65 PolarHBondContact O-N 3.45Å; A65-I67 VanDerWaalsContact C-N 3.33Å; A65-I67 PolarHBondContact O-N 2.81Å; A65-V68 PolarHBondContact O-N 2.89Å; A65-D69 PolarHBondContact O-N 3.17Å; A65-D69 VanDerWaalsContact O-N 3.09Å
66I87.6Confident70.5Confident26 Ų2687.5 Ų87.513%0.13346%0.458CS..Hα-helixtrans-63.3-38.2179.9-66.6160.3000112.1V41 L44 L45 R62 R64 D70V41-I66 HydrophobicContact CB-CG2 4.28Å; V41-I66 HydrophobicContact CG1-CB 4.27Å; V41-I66 HydrophobicContact CG1-CD1 4.3Å; V41-I66 HydrophobicContact CG1-CG2 4.07Å; V41-I66 HydrophobicContact CG2-CG2 4.11Å; L44-I66 HydrophobicContact CB-CD1 3.79Å; L44-I66 HydrophobicContact CB-CG1 4.23Å; L44-I66 HydrophobicContact CB-CG2 4.2Å; L44-I66 HydrophobicContact CD1-CG2 3.51Å; L44-I66 HydrophobicContact CG-CG2 4.5Å; L45-I66 HydrophobicContact CD2-CD1 3.94Å; L45-I66 HydrophobicContact CG-CD1 3.69Å; R62-I66 WeakPolarHBondContact O-CD1 3.1Å; R62-I66 VanDerWaalsContact O-CG1 3.28Å; R62-I66 WeakPolarHBondContact O-CG1 3.24Å; R62-I66 PolarHBondContact O-N 2.85Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 3.17Å; I66-D70 PolarHBondContact O-N 2.76Å
67I85.7Confident67.5Low52 Ų5296.2 Ų96.227%0.26750%0.499SS..Hα-helixtrans-77-32.7-179.4-69.7168.9000111.5M1 P7 V41 A63 R64 A65 D69 D70M1-I67 HydrophobicContact CE-CD1 3.88Å; M1-I67 HydrophobicContact SD-CD1 4.45Å; P7-I67 HydrophobicContact CG-CD1 3.42Å; P7-I67 VanDerWaalsContact CG-CD1 3.42Å; V41-I67 HydrophobicContact CG1-CG1 4.45Å; V41-I67 HydrophobicContact CG2-CD1 4.2Å; V41-I67 HydrophobicContact CG2-CG1 3.72Å; A63-I67 WeakPolarHBondContact O-CD1 3.3Å; A63-I67 VanDerWaalsContact O-CG1 3.3Å; A63-I67 WeakPolarHBondContact O-CG1 3.37Å; A63-I67 PolarHBondContact O-N 2.77Å; A63-I67 VanDerWaalsContact O-N 3.16Å; R64-I67 PolarHBondContact O-N 3.19Å; A65-I67 VanDerWaalsContact C-N 3.33Å; A65-I67 PolarHBondContact O-N 2.81Å; I67-D69 VanDerWaalsContact C-N 3.34Å; I67-D70 PolarHBondContact O-N 3.12Å
68V77Confident64.7Low86 Ų8696.1 Ų96.152%0.52151%0.511SS..Hα-helixtrans-66.5-38.7174.7171.30000111R64 A65 D70 R71R64-V68 VanDerWaalsContact O-CG2 3.26Å; R64-V68 WeakPolarHBondContact O-CG2 3.42Å; R64-V68 PolarHBondContact O-N 2.89Å; A65-V68 PolarHBondContact O-N 2.89Å; V68-D70 PolarHBondContact O-N 2.81Å; V68-R71 PolarHBondContact O-N 2.84Å
69D63.5Low61.6Low147 Ų14797.2 Ų97.279%0.78653%0.528SS*.THydrogen-bonded Turntrans-69.3-12.8175.7-110-5.9000114A65 I67 R71A65-D69 PolarHBondContact O-N 3.17Å; A65-D69 VanDerWaalsContact O-N 3.09Å; I67-D69 VanDerWaalsContact C-N 3.34Å; D69-R71 VanDerWaalsContact C-N 3.34Å
70D54.1Low58.6Low79 Ų79105.9 Ų105.942%0.42257%0.573SS.*THydrogen-bonded Turntrans-89.34.2179.5-121.81000113.4R40 I66 I67 V68R40-D70 IonicContact CZ-OD1 3.61Å; R40-D70 IonicContact CZ-OD2 3.61Å; R40-D70 IonicContact NE-OD1 2.68Å; R40-D70 IonicContact NE-OD2 3.79Å; R40-D70 IonicContact NH1-OD1 3.05Å; R40-D70 PolarHBondContact NH1-OD1 2.97Å; R40-D70 IonicContact NH1-OD2 2.68Å; R40-D70 PolarHBondContact NH1-OD2 3.43Å; R40-D70 IonicContact NH2-OD1 2.82Å; R40-D70 PolarHBondContact NH2-OD1 2.83Å; I66-D70 PolarHBondContact O-N 2.76Å; I67-D70 PolarHBondContact O-N 3.12Å; V68-D70 PolarHBondContact O-N 2.81Å
71R43.1Very low55.5Low191 Ų191108.3 Ų108.372%0.72160%0.601SS**SBendtrans-79.1124.9171.3-96.6-174.1-89.9-167.5-6.1109.9V68 D69 A73V68-R71 PolarHBondContact O-N 2.84Å; D69-R71 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 3.33Å
72P35.1Very low52.5Low102 Ų102112.7 Ų112.766%0.66262%0.623SS**  trans-62.5128.4176.420-21.7000108.7I74P72-I74 VanDerWaalsContact C-N 3.26Å; P72-I74 HydrophobicContact CB-CD1 4.43Å; P72-I74 HydrophobicContact CB-CG1 4.38Å; P72-I74 HydrophobicContact CG-CD1 4.47Å; P72-I74 PolarHBondContact O-N 3.09Å
73A34.5Very low49.6Very low113 Ų113112.9 Ų112.993%0.93464%0.643SS**  trans-6189172.100000109.5R71R71-A73 PolarHBondContact O-N 3.33Å
74I30.1Very low46.6Very low131 Ų131121.9 Ų121.967%0.67269%0.685SS**  trans-121.5109.4169-59.5175.6000105.5P72P72-I74 VanDerWaalsContact C-N 3.26Å; P72-I74 HydrophobicContact CB-CD1 4.43Å; P72-I74 HydrophobicContact CB-CG1 4.38Å; P72-I74 HydrophobicContact CG-CD1 4.47Å; P72-I74 PolarHBondContact O-N 3.09Å
75F28.2Very low43.9Very low199 Ų199122.7 Ų122.787%0.87371%0.708SS**  trans32.899.5157.8-83.1-98.1000116.7
76Q30Very low41.2Very low195 Ų195129 Ų12991%0.91173%0.726SS**  trans-138.8103.9151.3-111170.9-2.200110.2
77E27.9Very low38.6Very low188 Ų188132.7 Ų132.788%0.87975%0.753SS**  trans-48.8131.3157.3-68.6169.2139.300110.1
78A30.7Very low36.1Very low94 Ų94142 Ų14278%0.77778%0.784SS**  trans-160.392.7152.300000108.9
79C27.1Very low33.8Very low119 Ų119142.8 Ų142.880%0.80479%0.794SS**  trans12.2132.7142.5-54.40000118.4
80L29.4Very low32.2Very low183 Ų183146.9 Ų146.996%0.95880%0.798SS**  170.2130.6121-86.8163.1000111.5
81G29Very low31Very low62 Ų62148.7 Ų148.764%0.63982%0.817SS**  trans10973.8158.600000116.5
82T27.8Very low30.5Very low144 Ų144146 Ų14688%0.88382%0.822SS**  70.6103.6100.959.20000116.2
83A31.3Very low30.3Very low92 Ų92153 Ų15376%0.7684%0.835SS**  167.1108.3116.500000112
84E28.5Very low30.6Very low188 Ų188153.2 Ų153.288%0.87983%0.829SS**  trans53.2108.3134.7-58.1-178.5170.500120.8
85S33.9Very low31.5Very low126 Ų126149.1 Ų149.188%0.88182%0.82SS**  169147.697.447.70000112.1
86E31.3Very low32.8Very low191 Ų191149.9 Ų149.989%0.89382%0.817SS**  trans-77.9168-154.1-92.5-160.6155.200118.3
87P33Very low34.5Very low105 Ų105148.9 Ų148.968%0.68281%0.805SS**  trans-101.6152.1-161.938.1-30.4000113.2
88R31.8Very low36.6Very low246 Ų246140.1 Ų140.193%0.92876%0.764SS**  trans-141.6118.4153.2-77.3-166.3166.6171.8-4.4112.1
89S28.9Very low38.4Very low103 Ų103145 Ų14572%0.7277%0.768SS**  trans-34.4137.4158.655.90000114.1
90R31.4Very low40.4Very low233 Ų233143.7 Ų143.788%0.87976%0.761SS**  -175.2130.7125.7-101.1162.3-177.4-175.80.2110.8V92R90-V92 PolarHBondContact O-N 3.14Å
91S28Very low42.9Very low118 Ų118137.4 Ų137.483%0.82573%0.731SS**  trans-45.5122.8168.956.20000112.5
92V33.7Very low45.1Very low134 Ų134136.4 Ų136.481%0.81272%0.721SS**  trans-136.6113155.9-177.50000108.6R90 S94R90-V92 PolarHBondContact O-N 3.14Å; V92-S94 PolarHBondContact O-N 2.81Å
93R30.3Very low47.2Very low248 Ų248130.8 Ų130.894%0.93669%0.692SS**  trans-53.7126166.4-67.3167.8170.7171.4-4.3109.3
94S41.6Very low49.4Very low118 Ų118133 Ų13383%0.82569%0.688SS**  trans-147.2112.7160.7-171.90000109.7V92V92-S94 PolarHBondContact O-N 2.81Å
95G47.1Very low51.3Low46 Ų46127.9 Ų127.947%0.47469%0.686SS.*PPolyproline II helixtrans-70.9131.9-168.200000113.1R97G95-R97 PolarHBondContact O-N 3.19Å
96R55.6Low53.3Low215 Ų215123.5 Ų123.581%0.81165%0.651SS**PPolyproline II helixtrans-67.6127.5164.3-74.5-176.5-175.8174.91.9108.7
97R66.7Low55Low174 Ų174120.4 Ų120.466%0.65764%0.635SS**BIsolated β-bridgetrans-73.7142.4173.9-67.3-177.5-71-155.5-0.7109.5G95 F99 G102 G103 M104G95-R97 PolarHBondContact O-N 3.19Å; R97-F99 PolarHBondContact O-N 3.18Å; R97-G102 WeakPolarHBondContact CB-O 3.06Å; R97-G102 WeakPolarHBondContact CD-O 3.45Å; R97-G102 WeakPolarHBondContact CG-O 3.32Å; R97-G103 CarbonylContact C-O 3.54Å; R97-G103 WeakPolarHBondContact CA-O 3.48Å; R97-M104 HydrophobicContact CG-CE 4.36Å; R97-M104 HydrophobicContact CG-CG 4.16Å
98C72.1Confident56.8Low4 Ų4117.6 Ų117.63%0.02762%0.621CS.*PPolyproline II helixtrans-57.8127.5169.1170.60000110.1S100 C101 G102 G103 H106 C111C98-S100 PolarHBondContact O-N 3.26Å; C98-S100 PolarHBondContact SG-N 3.31Å; C98-S100 VanDerWaalsContact SG-N 3.38Å; C98-C101 PolarHBondContact SG-SG 2.89Å; C98-G102 VanDerWaalsContact O-CA 3.24Å; C98-G102 WeakPolarHBondContact O-CA 3.44Å; C98-G102 PolarHBondContact O-N 3.31Å; C98-G103 WeakPolarHBondContact CB-O 3.41Å; C98-G103 PolarHBondContact N-O 3.27Å; C98-H106 WeakPolarHBondContact CB-NE2 3.4Å; C98-H106 PolarHBondContact SG-NE2 3.4Å; C98-H106 VanDerWaalsContact SG-NE2 3.42Å; C98-C111 VanDerWaalsContact SG-CB 3.6Å
99F68.8Low58.3Low197 Ų197115.7 Ų115.786%0.86461%0.613SS**THydrogen-bonded Turntrans-66.7-17.8-179.7-74.3-84.7000114R97 A108R97-F99 PolarHBondContact O-N 3.18Å; F99-A108 HydrophobicContact CB-CB 4.35Å
100S69.2Low60.4Low91 Ų91115.3 Ų115.364%0.63660%0.6SS**THydrogen-bonded Turntrans-93.1-40.4-179-156.50000113.3C98C98-S100 PolarHBondContact O-N 3.26Å; C98-S100 PolarHBondContact SG-N 3.31Å; C98-S100 VanDerWaalsContact SG-N 3.38Å
101C81.6Confident62.4Low50 Ų50104.5 Ų104.534%0.33856%0.561SS.*THydrogen-bonded Turntrans-123.3-2-172.9530000114.4C98 G103 H106 C111 T113C98-C101 PolarHBondContact SG-SG 2.89Å; C101-G103 PolarHBondContact O-N 2.84Å; C101-G103 VanDerWaalsContact O-N 3.07Å; C101-H106 PolarHBondContact SG-NE2 3.42Å; C101-C111 WeakPolarHBondContact CB-SG 3.45Å; C101-C111 WeakPolarHBondContact SG-CB 3.45Å; C101-C111 CovalentContact SG-SG 2.08Å; C101-C111 PolarHBondContact SG-SG 2.8Å; C101-T113 WeakPolarHBondContact CB-OG1 3.29Å; C101-T113 PolarHBondContact SG-OG1 2.85Å
102G74.6Confident64.4Low41 Ų41104.3 Ų104.342%0.42356%0.557SS.*  trans72.5-7.5-179.600000115.4R97 C98R97-G102 WeakPolarHBondContact CB-O 3.06Å; R97-G102 WeakPolarHBondContact CD-O 3.45Å; R97-G102 WeakPolarHBondContact CG-O 3.32Å; C98-G102 VanDerWaalsContact O-CA 3.24Å; C98-G102 WeakPolarHBondContact O-CA 3.44Å; C98-G102 PolarHBondContact O-N 3.31Å
103G72.8Confident66Low27 Ų27102.8 Ų102.828%0.27855%0.548SS..  trans-65.9151179.700000113.3R97 C98 C101R97-G103 CarbonylContact C-O 3.54Å; R97-G103 WeakPolarHBondContact CA-O 3.48Å; C98-G103 WeakPolarHBondContact CB-O 3.41Å; C98-G103 PolarHBondContact N-O 3.27Å; C101-G103 PolarHBondContact O-N 2.84Å; C101-G103 VanDerWaalsContact O-N 3.07Å
104M77.4Confident67.1Low137 Ų13794.5 Ų94.568%0.67553%0.528SS*.BIsolated β-bridgetrans-91.3154.9175.8-62.3-177.1-171.800110.7R97R97-M104 HydrophobicContact CG-CE 4.36Å; R97-M104 HydrophobicContact CG-CG 4.16Å
105G68.6Low67.4Low81 Ų8197.1 Ų97.184%0.83553%0.527SS*.SBendtrans91.48.5170.100000116.7
106H75.5Confident66.9Low35 Ų35100.8 Ų100.816%0.16254%0.542CS..SBendtrans-153.1155.2173.661.2-90.1000111.3C98 C101 E110 C111C98-H106 WeakPolarHBondContact CB-NE2 3.4Å; C98-H106 PolarHBondContact SG-NE2 3.4Å; C98-H106 VanDerWaalsContact SG-NE2 3.42Å; C101-H106 PolarHBondContact SG-NE2 3.42Å; H106-E110 HydrophobicContact CB-CB 3.95Å; H106-C111 WeakPolarHBondContact CD2-CA 3.4Å; H106-C111 WeakPolarHBondContact NE2-CA 3.48Å; H106-C111 WeakPolarHBondContact NE2-CB 3.36Å
107F67.3Low65.8Low126 Ų12696.8 Ų96.855%0.55354%0.537SS*.  trans-82.2161.9172.5-66.8-77.1000111.5R109 E110 C111F107-R109 HydrophobicContact CB-CG 3.9Å; F107-R109 PolarHBondContact O-N 2.7Å; F107-E110 PolarHBondContact N-OE2 2.9Å; F107-E110 CarbonylContact O-C 3.59Å; F107-E110 WeakPolarHBondContact O-CA 3.17Å; F107-E110 WeakPolarHBondContact O-CB 3.37Å; F107-E110 PolarHBondContact O-N 2.93Å; F107-C111 PolarHBondContact O-N 2.92Å
108A69.9Low64.3Low45 Ų4594.6 Ų94.637%0.37255%0.545SS..G310 helixtrans-53.8-30.6-179.500000114F99 E110F99-A108 HydrophobicContact CB-CB 4.35Å; A108-E110 PolarHBondContact O-N 3.27Å
109R63.2Low62.2Low206 Ų20697.9 Ų97.978%0.77758%0.58SS**G310 helixtrans-69.2-13.4173.360.3173.8-173-160.4-1.6115.2F107F107-R109 HydrophobicContact CB-CG 3.9Å; F107-R109 PolarHBondContact O-N 2.7Å
110E72.2Confident60.4Low95 Ų9592 Ų9244%0.44458%0.575SS.*G310 helixtrans-119.111-175.1-70.4146.6-147.300111.7H106 F107 A108 P112H106-E110 HydrophobicContact CB-CB 3.95Å; F107-E110 PolarHBondContact N-OE2 2.9Å; F107-E110 CarbonylContact O-C 3.59Å; F107-E110 WeakPolarHBondContact O-CA 3.17Å; F107-E110 WeakPolarHBondContact O-CB 3.37Å; F107-E110 PolarHBondContact O-N 2.93Å; A108-E110 PolarHBondContact O-N 3.27Å; E110-P112 VanDerWaalsContact O-CD 3.25Å; E110-P112 WeakPolarHBondContact O-CD 2.94Å
111C73.6Confident58.4Low7 Ų790.1 Ų90.15%0.04757%0.57CS.*  trans-68.5116.4-174.9176.60000112.2C98 C101 H106 F107 T113 S114C98-C111 VanDerWaalsContact SG-CB 3.6Å; C101-C111 WeakPolarHBondContact CB-SG 3.45Å; C101-C111 WeakPolarHBondContact SG-CB 3.45Å; C101-C111 CovalentContact SG-SG 2.08Å; C101-C111 PolarHBondContact SG-SG 2.8Å; H106-C111 WeakPolarHBondContact CD2-CA 3.4Å; H106-C111 WeakPolarHBondContact NE2-CA 3.48Å; H106-C111 WeakPolarHBondContact NE2-CB 3.36Å; F107-C111 PolarHBondContact O-N 2.92Å; C111-T113 PolarHBondContact O-N 3.33Å; C111-T113 PolarHBondContact SG-OG1 3.17Å; C111-S114 WeakPolarHBondContact O-CB 3.14Å; C111-S114 PolarHBondContact O-N 3.42Å; C111-S114 PolarHBondContact O-OG 3.03Å
112P70.6Confident56.2Low114 Ų11495 Ų9574%0.7459%0.588SS**THydrogen-bonded Turntrans-72.1-15.7-178.326.6-30.1000113.3E110 S114E110-P112 VanDerWaalsContact O-CD 3.25Å; E110-P112 WeakPolarHBondContact O-CD 2.94Å; P112-S114 VanDerWaalsContact C-N 3.26Å; P112-S114 PolarHBondContact O-N 2.84Å
113T68.2Low54.8Low102 Ų102102 Ų10263%0.62661%0.606SS**THydrogen-bonded Turntrans-84.88.1172.8230000113.9C101 C111 Q115C101-T113 WeakPolarHBondContact CB-OG1 3.29Å; C101-T113 PolarHBondContact SG-OG1 2.85Å; C111-T113 PolarHBondContact O-N 3.33Å; C111-T113 PolarHBondContact SG-OG1 3.17Å; T113-Q115 PolarHBondContact O-N 2.73Å
114S52.6Low53.7Low74 Ų74110.5 Ų110.552%0.51764%0.636SS.*  trans-67.686168.8-48.70000108.8C111 P112C111-S114 WeakPolarHBondContact O-CB 3.14Å; C111-S114 PolarHBondContact O-N 3.42Å; C111-S114 PolarHBondContact O-OG 3.03Å; P112-S114 VanDerWaalsContact C-N 3.26Å; P112-S114 PolarHBondContact O-N 2.84Å
115Q47.9Very low53Low173 Ų173107.7 Ų107.781%0.80862%0.618SS**  trans-56.8141.4166.8-87.2-170.8-20.600108.5T113 N117T113-Q115 PolarHBondContact O-N 2.73Å; Q115-N117 VanDerWaalsContact C-N 3.3Å; Q115-N117 PolarHBondContact O-N 3.28Å
116P36.9Very low52.5Low122 Ų122106 Ų10679%0.79259%0.593SS**  trans-64.498.9176.516.2-12.9000107.2
117N32.3Very low52.1Low131 Ų131105.4 Ų105.470%0.70159%0.592SS**  trans-47.1127161.9-110.6-12.7000105.7Q115 G119Q115-N117 VanDerWaalsContact C-N 3.3Å; Q115-N117 PolarHBondContact O-N 3.28Å; N117-G119 WeakPolarHBondContact O-CA 3.48Å; N117-G119 PolarHBondContact O-N 2.86Å
118P35Very low51.9Low128 Ų128100.5 Ų100.583%0.83157%0.571SS**SBendtrans-53.5108.8177.721.5-30.4000106.9G120P118-G120 PolarHBondContact O-N 3.15Å; P118-G120 VanDerWaalsContact O-N 3.1Å
119G27.3Very low51.8Low74 Ų74100.6 Ų100.676%0.76357%0.567SS**  trans-26.596.4-14600000116.8N117 G121N117-G119 WeakPolarHBondContact O-CA 3.48Å; N117-G119 PolarHBondContact O-N 2.86Å; G119-G121 PolarHBondContact O-N 2.84Å
120G30.7Very low51.8Low73 Ų7392.8 Ų92.875%0.75354%0.541SS*.  trans-71.738.415600000111.3P118 E122P118-G120 PolarHBondContact O-N 3.15Å; P118-G120 VanDerWaalsContact O-N 3.1Å; G120-E122 PolarHBondContact O-N 3.03Å
121G28.6Very low51.1Low52 Ų5293.8 Ų93.854%0.53655%0.548SS..  trans-65.5132173.500000107.7G119 K123G119-G121 PolarHBondContact O-N 2.84Å; G121-K123 VanDerWaalsContact C-N 3.32Å; G121-K123 PolarHBondContact O-N 3.15Å
122E35Very low49.9Very low151 Ų15195.1 Ų95.171%0.70656%0.562SS**  trans-45.4102.3165-85.5-176.214500107.9G120 K124 K591G120-E122 PolarHBondContact O-N 3.03Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 2.74Å; E122-K591 WeakPolarHBondContact OE1-CE 3.42Å; E122-K591 IonicContact OE1-NZ 3.34Å; E122-K591 PolarHBondContact OE1-NZ 3.38Å
123K45.8Very low49.3Very low188 Ų18889.9 Ų89.982%0.81753%0.529SS*.  trans-66.3101.1175-87.9-174.5177.3179.30105.5G121 R125G121-K123 VanDerWaalsContact C-N 3.32Å; G121-K123 PolarHBondContact O-N 3.15Å; K123-R125 PolarHBondContact O-N 3.09Å
124K48.2Very low49.1Very low206 Ų20688.3 Ų88.390%0.89652%0.522SS*.  trans-55.2110.7167.3-75.7-174.3178.1179.90107.1E122E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 2.74Å
125R62.7Low50.3Low79 Ų7986.2 Ų86.230%0.29851%0.506SS..  trans-92.9136174.6-71.4-179.2-175.9-176.1-4.2108.3K123 S142 D194 L592K123-R125 PolarHBondContact O-N 3.09Å; R125-S142 VanDerWaalsContact CZ-O 3.3Å; R125-S142 PolarHBondContact NH1-O 2.87Å; R125-S142 PolarHBondContact NH2-O 3.34Å; R125-S142 VanDerWaalsContact NH2-O 3.09Å; R125-D194 WeakPolarHBondContact CA-OD2 3.19Å; R125-D194 HydrophobicContact CB-CB 3.96Å; R125-D194 HydrophobicContact CG-CB 4.23Å; R125-L592 HydrophobicContact CB-CD1 3.91Å
126S59.5Low51.8Low44 Ų4478 Ų7831%0.30847%0.468SS..  trans-81126.1175.2540000109.1F193 D194 F195S126-F193 WeakPolarHBondContact OG-CA 3.26Å; S126-D194 PolarHBondContact N-OD2 2.89Å; S126-D194 WeakPolarHBondContact O-CB 3.44Å; S126-D194 PolarHBondContact O-N 2.95Å; S126-D194 PolarHBondContact OG-N 3.47Å; S126-D194 PolarHBondContact OG-OD2 3.04Å; S126-F195 PolarHBondContact O-N 2.94Å
127V65.7Low54Low23 Ų2372.2 Ų72.214%0.13943%0.43CS..EExtended strand (participates in β ladder)trans-118129178.7-176.50000108.9F195 L197 L592V127-F195 CarbonylContact C-O 3.6Å; V127-F195 WeakPolarHBondContact CA-O 3.33Å; V127-F195 HydrophobicContact CG1-CB 4.4Å; V127-F195 HydrophobicContact CG1-CD1 3.98Å; V127-F195 HydrophobicContact CG2-CB 4.21Å; V127-L197 HydrophobicContact CG1-CB 3.8Å; V127-L592 HydrophobicContact CG2-CD1 3.61Å; V127-L592 HydrophobicContact CG2-CG 4.5Å
128L63.8Low56.5Low24 Ų2466 Ų6613%0.12640%0.397CS..EExtended strand (participates in β ladder)trans-94.7129.2168.1177.760.8000109.1L191 F193 F195 I196 L197 F583L128-L191 HydrophobicContact CD2-CD1 3.61Å; L128-F193 HydrophobicContact CB-CB 4.13Å; L128-F193 HydrophobicContact CB-CD1 3.89Å; L128-F193 HydrophobicContact CB-CD2 3.87Å; L128-F193 HydrophobicContact CB-CE1 4.27Å; L128-F193 HydrophobicContact CB-CE2 4.28Å; L128-F193 HydrophobicContact CB-CG 3.68Å; L128-F193 HydrophobicContact CB-CZ 4.46Å; L128-F193 HydrophobicContact CD1-CE2 4.3Å; L128-F193 HydrophobicContact CD1-CZ 4.24Å; L128-F193 HydrophobicContact CD2-CD2 4.27Å; L128-F193 HydrophobicContact CD2-CE2 4.46Å; L128-F195 PolarHBondContact N-O 2.79Å; L128-I196 HydrophobicContact CB-CG1 4.4Å; L128-I196 HydrophobicContact CD2-CD1 4.42Å; L128-I196 HydrophobicContact CD2-CG1 4.22Å; L128-I196 CarbonylContact O-C 3.35Å; L128-I196 WeakPolarHBondContact O-CA 3.19Å; L128-L197 PolarHBondContact O-N 2.91Å; L128-F583 HydrophobicContact CD1-CD1 3.33Å; L128-F583 HydrophobicContact CD1-CE1 3.42Å; L128-F583 VanDerWaalsContact CD1-CE1 3.42Å; L128-F583 HydrophobicContact CD2-CD1 4.43Å; L128-F583 HydrophobicContact CD2-CE1 3.64Å; L128-F583 HydrophobicContact CG-CD1 4.46Å; L128-F583 HydrophobicContact CG-CE1 4.12Å
129V68.4Low58.8Low47 Ų4761.2 Ų61.229%0.28536%0.363SS..EExtended strand (participates in β ladder)trans-90115.5168.8-173.90000107.7L197 I202 F218 T588V129-L197 WeakPolarHBondContact CA-O 3.36Å; V129-L197 HydrophobicContact CG1-CD2 4.46Å; V129-L197 HydrophobicContact CG2-CD2 4.15Å; V129-I202 HydrophobicContact CG1-CD1 3.7Å; V129-I202 HydrophobicContact CG1-CG1 4.27Å; V129-F218 HydrophobicContact CG2-CZ 4.25Å; V129-T588 HydrophobicContact CG2-CG2 4.48Å
130D62.7Low61.4Low41 Ų4159.3 Ų59.322%0.21934%0.337CS..  trans-118.5126.2179.8-174.38.9000110.6G132 C133 I196 L197 S198D130-G132 PolarHBondContact OD1-N 3.27Å; D130-C133 PolarHBondContact OD2-N 2.88Å; D130-C133 PolarHBondContact OD2-SG 3.22Å; D130-I196 HydrophobicContact CB-CG2 3.4Å; D130-I196 VanDerWaalsContact CB-CG2 3.4Å; D130-L197 PolarHBondContact N-O 2.83Å; D130-S198 VanDerWaalsContact O-CA 3.32Å; D130-S198 WeakPolarHBondContact O-CA 3.17Å
131I57.8Low63.4Low117 Ų11759.6 Ų59.660%0.633%0.332SS*.SBendtrans-95.2-8.8178.262.3175.6000112.8M199 I202I131-M199 HydrophobicContact CB-CE 3.93Å; I131-M199 HydrophobicContact CG2-CE 3.71Å; I131-I202 HydrophobicContact CG2-CD1 4.38Å
132G49Very low65Low34 Ų3457.7 Ų57.735%0.35131%0.311SS..SBendtrans-89.7-27.5177.300000114.3D130D130-G132 PolarHBondContact OD1-N 3.27Å
133C57.9Low66.5Low5 Ų552.4 Ų52.43%0.03429%0.285CS..  trans-72.9141.5169.6-740000110.8D130 S198 M199 Y513D130-C133 PolarHBondContact OD2-N 2.88Å; D130-C133 PolarHBondContact OD2-SG 3.22Å; C133-S198 WeakPolarHBondContact CB-OG 3.3Å; C133-S198 PolarHBondContact O-OG 3.34Å; C133-M199 WeakPolarHBondContact O-CG 3.08Å; C133-M199 PolarHBondContact O-N 2.8Å; C133-Y513 HydrophobicContact CB-CE1 4.06Å; C133-Y513 WeakPolarHBondContact SG-CE1 3.31Å; C133-Y513 PolarHBondContact SG-OH 2.87Å
134S63.7Low67.3Low68 Ų6853.8 Ų53.848%0.47629%0.29SS..SBendtrans-87.7-29.5166.7630000113.3S198 N200S134-S198 WeakPolarHBondContact CA-OG 3.49Å; S134-S198 PolarHBondContact N-OG 2.66Å; S134-S198 PolarHBondContact O-OG 3.23Å; S134-N200 WeakPolarHBondContact O-CB 3.43Å; S134-N200 PolarHBondContact O-N 2.85Å
135T77.2Confident68Low31 Ų3148 Ų4819%0.1928%0.276CS..SBendtrans-120.9133.4-179.6-55.60000111.4I184 S198T135-I184 HydrophobicContact CG2-CD1 4.35Å; T135-I184 HydrophobicContact CG2-CG1 3.98Å; T135-S198 WeakPolarHBondContact CA-OG 3.41Å; T135-S198 PolarHBondContact N-OG 3.38Å; T135-S198 WeakPolarHBondContact O-CB 3.36Å; T135-S198 PolarHBondContact O-OG 3.41Å
136C80.5Confident68.5Low0 Ų047.7 Ų47.70%028%0.275CS..EExtended strand (participates in β ladder)trans-57.7148.6175.8-75.40000111.4V183 I184 F195 I196 S198 N200C136-V183 HydrophobicContact CB-CB 4.36Å; C136-V183 HydrophobicContact CB-CG1 3.75Å; C136-V183 CarbonylContact O-C 3.6Å; C136-V183 WeakPolarHBondContact O-CA 3.34Å; C136-I184 PolarHBondContact O-N 3.47Å; C136-F195 HydrophobicContact CB-CE1 3.96Å; C136-F195 HydrophobicContact CB-CE2 4.48Å; C136-F195 HydrophobicContact CB-CZ 3.64Å; C136-I196 CarbonylContact C-O 3.55Å; C136-I196 WeakPolarHBondContact CA-O 3.22Å; C136-I196 WeakPolarHBondContact CB-O 3.33Å; C136-S198 VanDerWaalsContact CA-CB 3.49Å; C136-S198 VanDerWaalsContact N-CB 3.26Å; C136-S198 PolarHBondContact SG-N 3.43Å; C136-N200 PolarHBondContact N-OD1 3.21Å; C136-N200 PolarHBondContact SG-OD1 2.92Å
137V82.8Confident69.2Low1 Ų153.9 Ų53.91%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-119.6126.3176-170.80000109.4I153 W161 I184 A186 P190 F195 I196V137-I153 HydrophobicContact CG1-CD1 4.22Å; V137-I153 HydrophobicContact CG2-CD1 3.85Å; V137-W161 HydrophobicContact CG1-CH2 3.89Å; V137-W161 HydrophobicContact CG1-CZ3 3.87Å; V137-I184 CarbonylContact C-O 3.58Å; V137-I184 VanDerWaalsContact CA-O 3.31Å; V137-I184 WeakPolarHBondContact CA-O 3.3Å; V137-I184 HydrophobicContact CG2-CB 4.43Å; V137-A186 HydrophobicContact CG1-CB 3.87Å; V137-P190 HydrophobicContact CB-CG 4.38Å; V137-P190 HydrophobicContact CG1-CB 4.47Å; V137-P190 HydrophobicContact CG1-CG 4.1Å; V137-F195 CarbonylContact O-C 3.55Å; V137-F195 VanDerWaalsContact O-CA 3.31Å; V137-F195 WeakPolarHBondContact O-CA 3.43Å; V137-I196 HydrophobicContact CB-CB 4.07Å; V137-I196 HydrophobicContact CB-CD1 4.24Å; V137-I196 HydrophobicContact CB-CG1 4.27Å; V137-I196 HydrophobicContact CG2-CB 4.45Å; V137-I196 HydrophobicContact CG2-CD1 4.33Å; V137-I196 PolarHBondContact N-O 3.39Å; V137-I196 PolarHBondContact O-N 3.3Å
138A85Confident69.6Low0 Ų063.2 Ų63.20%033%0.329CS..EExtended strand (participates in β ladder)trans-113.8134.1178.100000110.2V169 V183 I184 V185 A186 F195A138-V169 HydrophobicContact CB-CG2 4.28Å; A138-V183 HydrophobicContact CB-CB 4.18Å; A138-V183 HydrophobicContact CB-CG2 3.91Å; A138-I184 PolarHBondContact N-O 2.72Å; A138-V185 CarbonylContact O-C 3.56Å; A138-V185 WeakPolarHBondContact O-CA 3.44Å; A138-A186 PolarHBondContact O-N 2.8Å; A138-F195 HydrophobicContact CB-CD2 3.69Å; A138-F195 HydrophobicContact CB-CE2 3.88Å
139H82.3Confident70.1Confident27 Ų2769.9 Ų69.913%0.12535%0.352CS..EExtended strand (participates in β ladder)trans-66.2138.7168.5176.9-134.9000110.3A141 S142 A186 D187 T188 K189 D194H139-A141 WeakPolarHBondContact CE1-CB 3.4Å; H139-A141 PolarHBondContact O-N 3.27Å; H139-A141 VanDerWaalsContact O-N 3.17Å; H139-S142 WeakPolarHBondContact O-CA 3.34Å; H139-S142 WeakPolarHBondContact O-CB 3.38Å; H139-S142 PolarHBondContact O-N 3.45Å; H139-S142 PolarHBondContact O-OG 3.13Å; H139-A186 CarbonylContact C-O 3.58Å; H139-D187 PolarHBondContact NE2-O 2.82Å; H139-T188 PolarHBondContact CD2-O 3.43Å; H139-K189 HydrophobicContact CB-CG 4.32Å; H139-D194 WeakPolarHBondContact CB-O 3.4Å; H139-D194 PolarHBondContact N-O 2.76Å
140V81.1Confident69.9Low35 Ų3579.6 Ų79.621%0.21238%0.384CS..G310 helixtrans-55.5-36.4-176.368.20000113.1S142 Y143 W146 V185 A186V140-S142 PolarHBondContact O-N 2.93Å; V140-S142 VanDerWaalsContact O-N 3.15Å; V140-Y143 PolarHBondContact O-N 2.71Å; V140-Y143 VanDerWaalsContact O-O 3.11Å; V140-W146 HydrophobicContact CG2-CZ2 4.08Å; V140-V185 HydrophobicContact CB-CG1 3.87Å; V140-V185 HydrophobicContact CG2-CG1 4.04Å; V140-A186 WeakPolarHBondContact CB-O 3.32Å; V140-A186 PolarHBondContact N-O 3.01Å
141A73Confident69.9Low79 Ų7977.9 Ų77.965%0.65338%0.375SS*.G310 helixtrans-67.1-15.4177.400000113.3H139 Y143H139-A141 WeakPolarHBondContact CE1-CB 3.4Å; H139-A141 PolarHBondContact O-N 3.27Å; H139-A141 VanDerWaalsContact O-N 3.17Å; A141-Y143 VanDerWaalsContact C-N 3.27Å
142S61.9Low69.9Low12 Ų1273 Ų738%0.08435%0.351CS..G310 helixtrans-78.4-10.5174.3-57.50000112.7R125 H139 V140 D194R125-S142 VanDerWaalsContact CZ-O 3.3Å; R125-S142 PolarHBondContact NH1-O 2.87Å; R125-S142 PolarHBondContact NH2-O 3.34Å; R125-S142 VanDerWaalsContact NH2-O 3.09Å; H139-S142 WeakPolarHBondContact O-CA 3.34Å; H139-S142 WeakPolarHBondContact O-CB 3.38Å; H139-S142 PolarHBondContact O-N 3.45Å; H139-S142 PolarHBondContact O-OG 3.13Å; V140-S142 PolarHBondContact O-N 2.93Å; V140-S142 VanDerWaalsContact O-N 3.15Å; S142-D194 PolarHBondContact OG-O 3.14Å
143Y66.6Low70.5Confident40 Ų4071.7 Ų71.716%0.15734%0.336CS..  trans-140.2133.4-159.4-161.7-120.3000114.3V140 A141 S145 W146 A168 V169 V185V140-Y143 PolarHBondContact O-N 2.71Å; V140-Y143 VanDerWaalsContact O-O 3.11Å; A141-Y143 VanDerWaalsContact C-N 3.27Å; Y143-S145 WeakPolarHBondContact CE1-O 3.47Å; Y143-S145 VanDerWaalsContact CZ-O 3.22Å; Y143-S145 PolarHBondContact OH-O 3.07Å; Y143-W146 HydrophobicContact CD1-CB 3.76Å; Y143-W146 AromaticContact CD1-CD1 3.83Å; Y143-W146 HydrophobicContact CD1-CG 4.16Å; Y143-W146 HydrophobicContact CE1-CB 3.68Å; Y143-A168 WeakPolarHBondContact CE2-O 3.43Å; Y143-A168 VanDerWaalsContact OH-C 3.28Å; Y143-A168 PolarHBondContact OH-N 3.24Å; Y143-A168 PolarHBondContact OH-O 3.27Å; Y143-V169 HydrophobicContact CD2-CG2 3.58Å; Y143-V169 HydrophobicContact CE2-CG2 3.6Å; Y143-V169 HydrophobicContact CG-CG2 4.38Å; Y143-V185 HydrophobicContact CD1-CG2 4.23Å
144K62.8Low70.2Confident216 Ų21671.8 Ų71.894%0.93934%0.336SS*.SBendtrans-92.7-22.1-174.3-68.2-174.9-179.7178.90115
145S63.3Low69.6Low84 Ų8470.7 Ų70.759%0.58733%0.327SS*.  trans-146.390.6-168.2600000114Y143Y143-S145 WeakPolarHBondContact CE1-O 3.47Å; Y143-S145 VanDerWaalsContact CZ-O 3.22Å; Y143-S145 PolarHBondContact OH-O 3.07Å
146W73.5Confident67.7Low73 Ų7372.2 Ų72.228%0.27734%0.336SS..  trans-124.2161.4177.850.6-79.3000111.5V140 Y143 R148 Q164 Y166 V185V140-W146 HydrophobicContact CG2-CZ2 4.08Å; Y143-W146 HydrophobicContact CD1-CB 3.76Å; Y143-W146 AromaticContact CD1-CD1 3.83Å; Y143-W146 HydrophobicContact CD1-CG 4.16Å; Y143-W146 HydrophobicContact CE1-CB 3.68Å; W146-R148 HydrophobicContact CE3-CB 4.36Å; W146-R148 HydrophobicContact CH2-CB 4.33Å; W146-R148 HydrophobicContact CH2-CG 4.35Å; W146-R148 VanDerWaalsContact CZ3-CA 3.48Å; W146-R148 HydrophobicContact CZ3-CB 3.63Å; W146-R148 HydrophobicContact CZ3-CG 3.86Å; W146-Q164 HydrophobicContact CE3-CB 4.14Å; W146-Q164 HydrophobicContact CH2-CB 3.47Å; W146-Q164 VanDerWaalsContact CH2-CB 3.47Å; W146-Q164 HydrophobicContact CH2-CG 4.33Å; W146-Q164 HydrophobicContact CZ2-CB 4.18Å; W146-Q164 HydrophobicContact CZ3-CB 3.43Å; W146-Q164 VanDerWaalsContact CZ3-CB 3.43Å; W146-Q164 WeakPolarHBondContact CZ3-O 3.49Å; W146-Y166 WeakPolarHBondContact CB-O 3.49Å; W146-V185 HydrophobicContact CB-CG2 3.74Å; W146-V185 HydrophobicContact CD2-CG1 4.19Å; W146-V185 HydrophobicContact CG-CB 4.42Å; W146-V185 HydrophobicContact CG-CG1 4.14Å; W146-V185 HydrophobicContact CG-CG2 4.07Å
147K73.4Confident65.7Low175 Ų17577.1 Ų77.176%0.76136%0.362SS*.EExtended strand (participates in β ladder)trans-99.3123.5173.9-70.6-176.3179.4179.30109.2R149 G165 Y166K147-R149 PolarHBondContact O-N 2.79Å; K147-G165 WeakPolarHBondContact O-CA 3.39Å; K147-Y166 PolarHBondContact N-O 3.47Å; K147-Y166 PolarHBondContact O-N 3.34Å; K147-Y166 VanDerWaalsContact O-N 3.13Å
148R75.7Confident63.4Low219 Ų21980.2 Ų80.283%0.82638%0.383SS*.EExtended strand (participates in β ladder)trans-62.9124.7174.9-165.3173-164.4-178.84.3110.1W146 Q164W146-R148 HydrophobicContact CE3-CB 4.36Å; W146-R148 HydrophobicContact CH2-CB 4.33Å; W146-R148 HydrophobicContact CH2-CG 4.35Å; W146-R148 VanDerWaalsContact CZ3-CA 3.48Å; W146-R148 HydrophobicContact CZ3-CB 3.63Å; W146-R148 HydrophobicContact CZ3-CG 3.86Å; R148-Q164 WeakPolarHBondContact CA-O 3.42Å; R148-Q164 WeakPolarHBondContact CG-O 3.36Å
149R72.8Confident61.7Low164 Ų16486 Ų8662%0.61941%0.412SS*.EExtended strand (participates in β ladder)trans-150.9140.3177.4-170.3163177.3-160.95.3106.7K147 V151 Q164 G165 Y166K147-R149 PolarHBondContact O-N 2.79Å; R149-V151 HydrophobicContact CB-CG2 4.44Å; R149-V151 PolarHBondContact O-N 3.44Å; R149-V151 VanDerWaalsContact O-N 3.11Å; R149-Q164 PolarHBondContact N-O 3Å; R149-Q164 CarbonylContact O-C 3.46Å; R149-Q164 VanDerWaalsContact O-C 3.32Å; R149-G165 VanDerWaalsContact O-CA 3.26Å; R149-G165 WeakPolarHBondContact O-CA 3.44Å; R149-G165 PolarHBondContact O-N 3.34Å; R149-Y166 HydrophobicContact CB-CD2 4.01Å; R149-Y166 HydrophobicContact CB-CE2 4.33Å; R149-Y166 HydrophobicContact CG-CD2 4.2Å; R149-Y166 HydrophobicContact CG-CE2 4.1Å
150R64.9Low60.6Low250 Ų25090.3 Ų90.394%0.94343%0.432SS*.EExtended strand (participates in β ladder)trans-64.8118.4171.3-72.9-171.1-152.3-178.86.8107.7
151V63.3Low59.9Low6 Ų691 Ų914%0.03643%0.431CS..EExtended strand (participates in β ladder)trans-132.8126.4171.8-174.20000106R149 C163 Y166 I184R149-V151 HydrophobicContact CB-CG2 4.44Å; R149-V151 PolarHBondContact O-N 3.44Å; R149-V151 VanDerWaalsContact O-N 3.11Å; V151-C163 HydrophobicContact CB-CB 3.81Å; V151-C163 HydrophobicContact CG1-CB 4.15Å; V151-C163 WeakPolarHBondContact O-CA 3.43Å; V151-C163 WeakPolarHBondContact O-CB 3.31Å; V151-C163 PolarHBondContact O-N 3.13Å; V151-Y166 HydrophobicContact CB-CE2 4.48Å; V151-Y166 HydrophobicContact CG2-CD2 3.67Å; V151-Y166 HydrophobicContact CG2-CE1 4.3Å; V151-Y166 HydrophobicContact CG2-CE2 3.11Å; V151-Y166 HydrophobicContact CG2-CG 4.47Å; V151-Y166 VanDerWaalsContact CG2-CZ 3.47Å; V151-I184 HydrophobicContact CB-CG2 4.23Å; V151-I184 HydrophobicContact CG1-CD1 4Å; V151-I184 HydrophobicContact CG1-CG1 4.13Å; V151-I184 HydrophobicContact CG1-CG2 3.67Å
152S56.8Low59.6Low13 Ų1395.7 Ų95.79%0.09143%0.432CS..EExtended strand (participates in β ladder)trans-118.1110.7-178.326.70000106E160 G508S152-E160 WeakPolarHBondContact CB-OE1 3.24Å; S152-G508 PolarHBondContact OG-O 3.36Å
153I61.4Low60.2Low8 Ų895.7 Ų95.74%0.04143%0.431CS..EExtended strand (participates in β ladder)trans-89.5116.9169.4-66.6-179.2000105.2V137 W161 C163 I184 Y513V137-I153 HydrophobicContact CG1-CD1 4.22Å; V137-I153 HydrophobicContact CG2-CD1 3.85Å; I153-W161 HydrophobicContact CB-CB 4.24Å; I153-W161 HydrophobicContact CB-CE3 4.05Å; I153-W161 HydrophobicContact CD1-CE3 3.8Å; I153-W161 HydrophobicContact CD1-CZ3 3.83Å; I153-W161 HydrophobicContact CG1-CE3 4.49Å; I153-W161 HydrophobicContact CG2-CE3 3.98Å; I153-W161 PolarHBondContact N-O 2.88Å; I153-W161 WeakPolarHBondContact O-CA 3.12Å; I153-W161 VanDerWaalsContact O-CB 3.3Å; I153-W161 WeakPolarHBondContact O-CB 3.28Å; I153-W161 PolarHBondContact O-N 2.87Å; I153-C163 WeakPolarHBondContact CD1-SG 3.48Å; I153-I184 HydrophobicContact CD1-CB 4.46Å; I153-I184 HydrophobicContact CD1-CD1 4.16Å; I153-I184 HydrophobicContact CD1-CG2 3.95Å; I153-I184 HydrophobicContact CG1-CD1 4.26Å; I153-I184 HydrophobicContact CG1-CG2 4.41Å; I153-Y513 HydrophobicContact CG2-CD2 4.08Å; I153-Y513 HydrophobicContact CG2-CE2 3.72Å
154V52.2Low60.7Low6 Ų696.7 Ų96.74%0.03644%0.438CS..EExtended strand (participates in β ladder)trans-90.4114.4173.8175.80000109M159 V509 E511 Y513V154-M159 WeakPolarHBondContact CA-O 3.47Å; V154-V509 HydrophobicContact CB-CG1 3.76Å; V154-V509 HydrophobicContact CG1-CG1 4.19Å; V154-V509 HydrophobicContact CG2-CB 3.87Å; V154-V509 HydrophobicContact CG2-CG1 3.34Å; V154-V509 HydrophobicContact CG2-CG2 3.63Å; V154-E511 WeakPolarHBondContact CB-O 3.35Å; V154-Y513 WeakPolarHBondContact O-CD2 3.42Å
155T51.8Low61.7Low45 Ų4586.4 Ų86.428%0.27639%0.393SS..  trans-70.4160.6175.547.50000110D157 C158 M159 W161T155-D157 WeakPolarHBondContact CB-OD1 3.34Å; T155-D157 PolarHBondContact O-N 3.35Å; T155-D157 VanDerWaalsContact O-N 3.09Å; T155-D157 PolarHBondContact OG1-OD1 3.36Å; T155-C158 WeakPolarHBondContact O-CA 3.44Å; T155-C158 PolarHBondContact O-N 3.35Å; T155-M159 PolarHBondContact N-O 3.18Å; T155-M159 WeakPolarHBondContact OG1-CB 3.43Å; T155-M159 PolarHBondContact OG1-O 3.49Å; T155-W161 HydrophobicContact CG2-CB 4.06Å
156V36.5Very low62.6Low64 Ų6486.2 Ų86.239%0.38838%0.38SS..THydrogen-bonded Turntrans-61.4-21.9-172.5-167.30000113.3C158 Y513 H515V156-C158 PolarHBondContact O-N 2.8Å; V156-Y513 WeakPolarHBondContact CA-O 3.36Å; V156-Y513 WeakPolarHBondContact CB-O 3.42Å; V156-Y513 WeakPolarHBondContact CG1-O 3.3Å; V156-Y513 VanDerWaalsContact CG2-C 3.44Å; V156-Y513 WeakPolarHBondContact CG2-O 3.38Å; V156-H515 HydrophobicContact CG2-CB 4.09Å
157D38.1Very low63Low102 Ų10283.2 Ų83.255%0.54537%0.372SS..THydrogen-bonded Turntrans-81.215.3171.864.5-12.2000113.2T155 M159T155-D157 WeakPolarHBondContact CB-OD1 3.34Å; T155-D157 PolarHBondContact O-N 3.35Å; T155-D157 VanDerWaalsContact O-N 3.09Å; T155-D157 PolarHBondContact OG1-OD1 3.36Å; D157-M159 HydrophobicContact CB-CG 4.5Å; D157-M159 PolarHBondContact O-N 2.87Å; D157-M159 VanDerWaalsContact O-N 3.16Å; D157-M159 WeakPolarHBondContact OD1-CB 3.4Å; D157-M159 PolarHBondContact OD1-N 2.86Å; D157-M159 WeakPolarHBondContact OD2-CG 3.43Å
158C35.2Very low63.4Low66 Ų6676.4 Ų76.445%0.44635%0.348SS..SBendtrans64.511.2-178.6-29.80000113.8T155 V156 Q502T155-C158 WeakPolarHBondContact O-CA 3.44Å; T155-C158 PolarHBondContact O-N 3.35Å; V156-C158 PolarHBondContact O-N 2.8Å; C158-Q502 PolarHBondContact SG-NE2 3.46Å; C158-Q502 PolarHBondContact SG-OE1 2.97Å
159M48.5Very low63.5Low123 Ų12366.2 Ų66.261%0.60631%0.31SS*.  trans-80.9134.1178.6-65.3-69.6-16200110.2V154 T155 D157 W161V154-M159 WeakPolarHBondContact CA-O 3.47Å; T155-M159 PolarHBondContact N-O 3.18Å; T155-M159 WeakPolarHBondContact OG1-CB 3.43Å; T155-M159 PolarHBondContact OG1-O 3.49Å; D157-M159 HydrophobicContact CB-CG 4.5Å; D157-M159 PolarHBondContact O-N 2.87Å; D157-M159 VanDerWaalsContact O-N 3.16Å; D157-M159 WeakPolarHBondContact OD1-CB 3.4Å; D157-M159 PolarHBondContact OD1-N 2.86Å; D157-M159 WeakPolarHBondContact OD2-CG 3.43Å; M159-W161 PolarHBondContact O-N 3.43Å
160E60.6Low63.8Low116 Ų11659.7 Ų59.754%0.54229%0.289SS..EExtended strand (participates in β ladder)trans-77.4111.2173.4-169-169.8170.700109.3S152S152-E160 WeakPolarHBondContact CB-OE1 3.24Å
161W66.2Low64.4Low51 Ų5147.8 Ų47.819%0.19324%0.244CC..EExtended strand (participates in β ladder)trans-89.1109.3170.7-167.940.9000110.2V137 I153 T155 M159 C163 A186 T188 P190V137-W161 HydrophobicContact CG1-CH2 3.89Å; V137-W161 HydrophobicContact CG1-CZ3 3.87Å; I153-W161 HydrophobicContact CB-CB 4.24Å; I153-W161 HydrophobicContact CB-CE3 4.05Å; I153-W161 HydrophobicContact CD1-CE3 3.8Å; I153-W161 HydrophobicContact CD1-CZ3 3.83Å; I153-W161 HydrophobicContact CG1-CE3 4.49Å; I153-W161 HydrophobicContact CG2-CE3 3.98Å; I153-W161 PolarHBondContact N-O 2.88Å; I153-W161 WeakPolarHBondContact O-CA 3.12Å; I153-W161 VanDerWaalsContact O-CB 3.3Å; I153-W161 WeakPolarHBondContact O-CB 3.28Å; I153-W161 PolarHBondContact O-N 2.87Å; T155-W161 HydrophobicContact CG2-CB 4.06Å; M159-W161 PolarHBondContact O-N 3.43Å; W161-C163 PolarHBondContact O-N 2.82Å; W161-A186 HydrophobicContact CH2-CB 3.32Å; W161-A186 HydrophobicContact CZ2-CB 3.43Å; W161-A186 VanDerWaalsContact CZ2-CB 3.43Å; W161-A186 HydrophobicContact CZ3-CB 4.16Å; W161-T188 PolarHBondContact NE1-OG1 3.02Å; W161-P190 HydrophobicContact CH2-CB 3.27Å; W161-P190 HydrophobicContact CH2-CG 3.81Å; W161-P190 HydrophobicContact CZ2-CB 4.12Å; W161-P190 HydrophobicContact CZ3-CB 3.88Å
162R65.2Low64.8Low177 Ų17749.1 Ų49.167%0.66825%0.25SS*.EExtended strand (participates in β ladder)trans-71.8120.1-174.4-73.4-176.7-177.1162.33.6111.2
163C75.1Confident65.2Low12 Ų1248.9 Ų48.98%0.08125%0.248CC..EExtended strand (participates in β ladder)trans-106.3147.6170.8-66.50000110.4V151 I153 W161 I184 V185V151-C163 HydrophobicContact CB-CB 3.81Å; V151-C163 HydrophobicContact CG1-CB 4.15Å; V151-C163 WeakPolarHBondContact O-CA 3.43Å; V151-C163 WeakPolarHBondContact O-CB 3.31Å; V151-C163 PolarHBondContact O-N 3.13Å; I153-C163 WeakPolarHBondContact CD1-SG 3.48Å; W161-C163 PolarHBondContact O-N 2.82Å; C163-I184 HydrophobicContact CB-CG2 3.39Å; C163-I184 WeakPolarHBondContact SG-CG2 3.47Å; C163-V185 CarbonylContact C-O 3.39Å; C163-V185 WeakPolarHBondContact CA-O 3.48Å; C163-V185 WeakPolarHBondContact CB-O 3.34Å
164Q77.9Confident65Low61 Ų6153.5 Ų53.529%0.28528%0.277SS..EExtended strand (participates in β ladder)trans-84-24.3-174.8-55-161.4-8.300112.6W146 R148 R149 V185 D187W146-Q164 HydrophobicContact CE3-CB 4.14Å; W146-Q164 HydrophobicContact CH2-CB 3.47Å; W146-Q164 VanDerWaalsContact CH2-CB 3.47Å; W146-Q164 HydrophobicContact CH2-CG 4.33Å; W146-Q164 HydrophobicContact CZ2-CB 4.18Å; W146-Q164 HydrophobicContact CZ3-CB 3.43Å; W146-Q164 VanDerWaalsContact CZ3-CB 3.43Å; W146-Q164 WeakPolarHBondContact CZ3-O 3.49Å; R148-Q164 WeakPolarHBondContact CA-O 3.42Å; R148-Q164 WeakPolarHBondContact CG-O 3.36Å; R149-Q164 PolarHBondContact N-O 3Å; R149-Q164 CarbonylContact O-C 3.46Å; R149-Q164 VanDerWaalsContact O-C 3.32Å; Q164-V185 PolarHBondContact N-O 2.81Å; Q164-D187 HydrophobicContact CG-CB 3.76Å
165G83Confident65.2Low0 Ų055.4 Ų55.40%030%0.298CS..EExtended strand (participates in β ladder)trans163.3-150.8177.300000114.2K147 R149 V185K147-G165 WeakPolarHBondContact O-CA 3.39Å; R149-G165 VanDerWaalsContact O-CA 3.26Å; R149-G165 WeakPolarHBondContact O-CA 3.44Å; R149-G165 PolarHBondContact O-N 3.34Å; G165-V185 PolarHBondContact O-N 2.57Å
166Y82.2Confident65.5Low79 Ų7955.5 Ų55.531%0.3131%0.308SS..EExtended strand (participates in β ladder)trans-119.4148.1178.3-64.7-90000110.9W146 K147 R149 V151 V183 I184W146-Y166 WeakPolarHBondContact CB-O 3.49Å; K147-Y166 PolarHBondContact N-O 3.47Å; K147-Y166 PolarHBondContact O-N 3.34Å; K147-Y166 VanDerWaalsContact O-N 3.13Å; R149-Y166 HydrophobicContact CB-CD2 4.01Å; R149-Y166 HydrophobicContact CB-CE2 4.33Å; R149-Y166 HydrophobicContact CG-CD2 4.2Å; R149-Y166 HydrophobicContact CG-CE2 4.1Å; V151-Y166 HydrophobicContact CB-CE2 4.48Å; V151-Y166 HydrophobicContact CG2-CD2 3.67Å; V151-Y166 HydrophobicContact CG2-CE1 4.3Å; V151-Y166 HydrophobicContact CG2-CE2 3.11Å; V151-Y166 HydrophobicContact CG2-CG 4.47Å; V151-Y166 VanDerWaalsContact CG2-CZ 3.47Å; Y166-V183 CarbonylContact C-O 3.48Å; Y166-V183 VanDerWaalsContact CA-O 3.28Å; Y166-V183 WeakPolarHBondContact CA-O 3.24Å; Y166-I184 HydrophobicContact CD1-CG1 4.12Å; Y166-I184 HydrophobicContact CE1-CG1 3.78Å
167G82.4Confident66.8Low11 Ų1152.9 Ų52.911%0.11329%0.294CS..EExtended strand (participates in β ladder)trans-140.9-176.817400000111.4N182 V183G167-N182 WeakPolarHBondContact O-CA 3.08Å; G167-V183 PolarHBondContact N-O 3.3Å; G167-V183 PolarHBondContact O-N 3.03Å
168A82.2Confident68.6Low32 Ų3255.8 Ų55.826%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-131.7117.4171.500000110.2Y143 M180 V181Y143-A168 WeakPolarHBondContact CE2-O 3.43Å; Y143-A168 VanDerWaalsContact OH-C 3.28Å; Y143-A168 PolarHBondContact OH-N 3.24Å; Y143-A168 PolarHBondContact OH-O 3.27Å; A168-M180 HydrophobicContact CB-CE 3.7Å; A168-M180 WeakPolarHBondContact O-CE 3.41Å; A168-V181 CarbonylContact C-O 3.55Å; A168-V181 VanDerWaalsContact CA-O 3.24Å; A168-V181 WeakPolarHBondContact CA-O 3.41Å
169V76.3Confident70.5Confident5 Ų553.7 Ų53.73%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-104.9140-175.6173.40000110A138 Y143 L171 M180 V181 V183 F195 L592A138-V169 HydrophobicContact CB-CG2 4.28Å; Y143-V169 HydrophobicContact CD2-CG2 3.58Å; Y143-V169 HydrophobicContact CE2-CG2 3.6Å; Y143-V169 HydrophobicContact CG-CG2 4.38Å; V169-L171 HydrophobicContact CG1-CD2 4.03Å; V169-M180 WeakPolarHBondContact O-CA 3.48Å; V169-V181 HydrophobicContact CB-CG2 4.29Å; V169-V181 PolarHBondContact N-O 2.83Å; V169-V181 WeakPolarHBondContact O-CG2 3.36Å; V169-V181 PolarHBondContact O-N 3.04Å; V169-V183 HydrophobicContact CB-CG1 3.84Å; V169-V183 HydrophobicContact CG2-CB 4.36Å; V169-V183 HydrophobicContact CG2-CG1 3.68Å; V169-V183 HydrophobicContact CG2-CG2 3.7Å; V169-F195 HydrophobicContact CB-CE2 3.99Å; V169-F195 HydrophobicContact CB-CZ 4.49Å; V169-F195 HydrophobicContact CG1-CE2 3.83Å; V169-F195 HydrophobicContact CG1-CZ 4.37Å; V169-F195 HydrophobicContact CG2-CE2 4.05Å; V169-L592 HydrophobicContact CG1-CD2 3.43Å; V169-L592 VanDerWaalsContact CG1-CD2 3.43Å
170C80.3Confident72.1Confident26 Ų2653 Ų5318%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-88.6118.3171.6-166.90000109.2V179 M180 L593C170-V179 CarbonylContact C-O 3.5Å; C170-V179 WeakPolarHBondContact CA-O 3.45Å; C170-M180 HydrophobicContact CB-SD 3.53Å; C170-M180 VanDerWaalsContact CB-SD 3.53Å; C170-L593 HydrophobicContact CB-CB 4.2Å; C170-L593 PolarHBondContact O-N 2.77Å; C170-L593 VanDerWaalsContact O-N 3.14Å
171L77.4Confident73.1Confident1 Ų147.7 Ų47.71%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-99129.7173.2-56.4-179.6000108.9V169 R178 V179 V181 F195 L197 L205 L590 L592V169-L171 HydrophobicContact CG1-CD2 4.03Å; L171-R178 CarbonylContact O-C 3.46Å; L171-R178 VanDerWaalsContact O-CA 3.29Å; L171-R178 WeakPolarHBondContact O-CA 3.25Å; L171-V179 HydrophobicContact CB-CG2 3.83Å; L171-V179 HydrophobicContact CD1-CG2 4.4Å; L171-V179 HydrophobicContact CG-CG2 4.5Å; L171-V179 PolarHBondContact N-O 3.42Å; L171-V179 PolarHBondContact O-N 3.36Å; L171-V181 HydrophobicContact CD1-CB 4.42Å; L171-V181 HydrophobicContact CD1-CG1 3.78Å; L171-V181 HydrophobicContact CD1-CG2 3.74Å; L171-V181 HydrophobicContact CD2-CG2 4.43Å; L171-V181 HydrophobicContact CG-CG1 4.32Å; L171-V181 HydrophobicContact CG-CG2 3.82Å; L171-F195 HydrophobicContact CD1-CE1 4.47Å; L171-F195 HydrophobicContact CD2-CE1 3.9Å; L171-F195 HydrophobicContact CD2-CE2 4.4Å; L171-F195 HydrophobicContact CD2-CZ 3.79Å; L171-L197 HydrophobicContact CD1-CD1 3.38Å; L171-L205 HydrophobicContact CB-CD2 4.14Å; L171-L205 HydrophobicContact CD1-CD1 3.97Å; L171-L205 HydrophobicContact CD1-CG 4.29Å; L171-L590 HydrophobicContact CB-CD2 3.91Å; L171-L590 HydrophobicContact CD1-CD2 4.5Å; L171-L590 HydrophobicContact CD2-CD2 4.25Å; L171-L590 HydrophobicContact CG-CD2 4.46Å; L171-L592 HydrophobicContact CD2-CD2 3.48Å; L171-L592 VanDerWaalsContact CD2-CD2 3.48Å; L171-L592 HydrophobicContact CD2-CG 4.28Å
172E70.9Confident74Confident33 Ų3350.6 Ų50.615%0.15427%0.274CS..EExtended strand (participates in β ladder)trans-115118.1174.7-175.1174.1-127.600109.2G177 R178 K591 L593E172-G177 WeakPolarHBondContact CA-O 3.12Å; E172-R178 HydrophobicContact CB-CG 4.1Å; E172-R178 HydrophobicContact CG-CG 3.96Å; E172-R178 IonicContact OE1-CZ 3.3Å; E172-R178 IonicContact OE1-NE 2.83Å; E172-R178 PolarHBondContact OE1-NE 3.46Å; E172-R178 IonicContact OE1-NH2 2.91Å; E172-R178 PolarHBondContact OE1-NH2 2.99Å; E172-K591 HydrophobicContact CB-CB 4.15Å; E172-K591 PolarHBondContact N-O 3.36Å; E172-K591 PolarHBondContact O-N 3.27Å; E172-L593 HydrophobicContact CB-CD1 4.08Å; E172-L593 HydrophobicContact CB-CG 4.47Å
173S65Low74.9Confident8 Ų842.1 Ų42.16%0.05624%0.242CC..  trans-76.1152.9171.9175.90000110.1G175 G176 G177S173-G175 PolarHBondContact O-N 3.48Å; S173-G175 PolarHBondContact OG-N 3.02Å; S173-G176 PolarHBondContact O-N 2.96Å; S173-G177 PolarHBondContact N-O 3.11Å
174T57.4Low75.4Confident106 Ų10641.6 Ų41.665%0.6524%0.238SC*.THydrogen-bonded Turntrans-54.8-20.4171.120.40000114.8G176 N589T174-G176 PolarHBondContact O-N 3.44Å; T174-N589 HydrophobicContact CG2-CB 3.18Å
175G56.8Low75.8Confident45 Ų4538.7 Ų38.746%0.46423%0.225SC..THydrogen-bonded Turntrans-76.81.8172.600000114.8S173S173-G175 PolarHBondContact O-N 3.48Å; S173-G175 PolarHBondContact OG-N 3.02Å
176G57.9Low75.8Confident47 Ų4738.7 Ų38.749%0.48523%0.225SC..SBendtrans85.3-1.1179.900000115.1S173 T174 R178S173-G176 PolarHBondContact O-N 2.96Å; T174-G176 PolarHBondContact O-N 3.44Å; G176-R178 PolarHBondContact O-N 2.98Å
177G65.1Low75.8Confident10 Ų1037.8 Ų37.810%0.10323%0.225CC..  trans-73.3123.3175.900000111.8E172 S173E172-G177 WeakPolarHBondContact CA-O 3.12Å; S173-G177 PolarHBondContact N-O 3.11Å
178R75.7Confident75.7Confident162 Ų16240.4 Ų40.461%0.61124%0.239SC*.EExtended strand (participates in β ladder)trans-103.2130.2172.6-69.1-176.7-176.2-175-1.6110.8L171 E172 G176L171-R178 CarbonylContact O-C 3.46Å; L171-R178 VanDerWaalsContact O-CA 3.29Å; L171-R178 WeakPolarHBondContact O-CA 3.25Å; E172-R178 HydrophobicContact CB-CG 4.1Å; E172-R178 HydrophobicContact CG-CG 3.96Å; E172-R178 IonicContact OE1-CZ 3.3Å; E172-R178 IonicContact OE1-NE 2.83Å; E172-R178 PolarHBondContact OE1-NE 3.46Å; E172-R178 IonicContact OE1-NH2 2.91Å; E172-R178 PolarHBondContact OE1-NH2 2.99Å; G176-R178 PolarHBondContact O-N 2.98Å
179V75.1Confident75.5Confident23 Ų2343.4 Ų43.414%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-132.8140179-55.50000110.4C170 L171 V181 A204 L205C170-V179 CarbonylContact C-O 3.5Å; C170-V179 WeakPolarHBondContact CA-O 3.45Å; L171-V179 HydrophobicContact CB-CG2 3.83Å; L171-V179 HydrophobicContact CD1-CG2 4.4Å; L171-V179 HydrophobicContact CG-CG2 4.5Å; L171-V179 PolarHBondContact N-O 3.42Å; L171-V179 PolarHBondContact O-N 3.36Å; V179-V181 HydrophobicContact CG2-CG1 4.23Å; V179-A204 HydrophobicContact CB-CB 4.1Å; V179-A204 WeakPolarHBondContact CG1-O 3.13Å; V179-A204 HydrophobicContact CG2-CB 3.93Å; V179-L205 HydrophobicContact CG1-CD2 4.48Å; V179-L205 HydrophobicContact CG2-CD2 3.48Å; V179-L205 VanDerWaalsContact CG2-CD2 3.48Å; V179-L205 HydrophobicContact CG2-CG 3.77Å
180M82.2Confident74.9Confident108 Ų10843.2 Ų43.253%0.53225%0.245SC..EExtended strand (participates in β ladder)trans-93.6127.8175-70.7-60-58.200109.3A168 V169 C170A168-M180 HydrophobicContact CB-CE 3.7Å; A168-M180 WeakPolarHBondContact O-CE 3.41Å; V169-M180 WeakPolarHBondContact O-CA 3.48Å; C170-M180 HydrophobicContact CB-SD 3.53Å; C170-M180 VanDerWaalsContact CB-SD 3.53Å
181V80.6Confident74.1Confident5 Ų546.7 Ų46.73%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-125.2137.3179.5-58.50000109.9A168 V169 L171 V179 V183 F195 A204A168-V181 CarbonylContact C-O 3.55Å; A168-V181 VanDerWaalsContact CA-O 3.24Å; A168-V181 WeakPolarHBondContact CA-O 3.41Å; V169-V181 HydrophobicContact CB-CG2 4.29Å; V169-V181 PolarHBondContact N-O 2.83Å; V169-V181 WeakPolarHBondContact O-CG2 3.36Å; V169-V181 PolarHBondContact O-N 3.04Å; L171-V181 HydrophobicContact CD1-CB 4.42Å; L171-V181 HydrophobicContact CD1-CG1 3.78Å; L171-V181 HydrophobicContact CD1-CG2 3.74Å; L171-V181 HydrophobicContact CD2-CG2 4.43Å; L171-V181 HydrophobicContact CG-CG1 4.32Å; L171-V181 HydrophobicContact CG-CG2 3.82Å; V179-V181 HydrophobicContact CG2-CG1 4.23Å; V181-V183 HydrophobicContact CG2-CG1 4.01Å; V181-F195 HydrophobicContact CG2-CZ 4.13Å; V181-A204 HydrophobicContact CG1-CB 3.7Å
182N84.5Confident73.5Confident111 Ų11148.6 Ų48.659%0.59428%0.281SS*.EExtended strand (participates in β ladder)trans-71.3140.4170.5-68.4-31.6000109.5G167 N200G167-N182 WeakPolarHBondContact O-CA 3.08Å; N182-N200 PolarHBondContact O-ND2 2.89Å
183V84.7Confident73.3Confident0 Ų048.9 Ų48.90%028%0.282CS..EExtended strand (participates in β ladder)trans-132.7149.3-177.9-53.40000111.1C136 A138 Y166 G167 V169 V181 V185 F195C136-V183 HydrophobicContact CB-CB 4.36Å; C136-V183 HydrophobicContact CB-CG1 3.75Å; C136-V183 CarbonylContact O-C 3.6Å; C136-V183 WeakPolarHBondContact O-CA 3.34Å; A138-V183 HydrophobicContact CB-CB 4.18Å; A138-V183 HydrophobicContact CB-CG2 3.91Å; Y166-V183 CarbonylContact C-O 3.48Å; Y166-V183 VanDerWaalsContact CA-O 3.28Å; Y166-V183 WeakPolarHBondContact CA-O 3.24Å; G167-V183 PolarHBondContact N-O 3.3Å; G167-V183 PolarHBondContact O-N 3.03Å; V169-V183 HydrophobicContact CB-CG1 3.84Å; V169-V183 HydrophobicContact CG2-CB 4.36Å; V169-V183 HydrophobicContact CG2-CG1 3.68Å; V169-V183 HydrophobicContact CG2-CG2 3.7Å; V181-V183 HydrophobicContact CG2-CG1 4.01Å; V183-V185 HydrophobicContact CG2-CG2 4.11Å; V183-F195 HydrophobicContact CG1-CE2 3.73Å; V183-F195 HydrophobicContact CG1-CZ 3.87Å
184I85.5Confident73.8Confident0 Ų049.5 Ų49.50%029%0.285CS..EExtended strand (participates in β ladder)trans-83.1132.3159.7-62.1170000107.5T135 C136 V137 A138 V151 I153 C163 Y166T135-I184 HydrophobicContact CG2-CD1 4.35Å; T135-I184 HydrophobicContact CG2-CG1 3.98Å; C136-I184 PolarHBondContact O-N 3.47Å; V137-I184 CarbonylContact C-O 3.58Å; V137-I184 VanDerWaalsContact CA-O 3.31Å; V137-I184 WeakPolarHBondContact CA-O 3.3Å; V137-I184 HydrophobicContact CG2-CB 4.43Å; A138-I184 PolarHBondContact N-O 2.72Å; V151-I184 HydrophobicContact CB-CG2 4.23Å; V151-I184 HydrophobicContact CG1-CD1 4Å; V151-I184 HydrophobicContact CG1-CG1 4.13Å; V151-I184 HydrophobicContact CG1-CG2 3.67Å; I153-I184 HydrophobicContact CD1-CB 4.46Å; I153-I184 HydrophobicContact CD1-CD1 4.16Å; I153-I184 HydrophobicContact CD1-CG2 3.95Å; I153-I184 HydrophobicContact CG1-CD1 4.26Å; I153-I184 HydrophobicContact CG1-CG2 4.41Å; C163-I184 HydrophobicContact CB-CG2 3.39Å; C163-I184 WeakPolarHBondContact SG-CG2 3.47Å; Y166-I184 HydrophobicContact CD1-CG1 4.12Å; Y166-I184 HydrophobicContact CE1-CG1 3.78Å
185V86.2Confident74.7Confident0 Ų044.5 Ų44.50%025%0.254CS..EExtended strand (participates in β ladder)trans-97.1114.1179.9-178.70000109A138 V140 Y143 W146 C163 Q164 G165 V183A138-V185 CarbonylContact O-C 3.56Å; A138-V185 WeakPolarHBondContact O-CA 3.44Å; V140-V185 HydrophobicContact CB-CG1 3.87Å; V140-V185 HydrophobicContact CG2-CG1 4.04Å; Y143-V185 HydrophobicContact CD1-CG2 4.23Å; W146-V185 HydrophobicContact CB-CG2 3.74Å; W146-V185 HydrophobicContact CD2-CG1 4.19Å; W146-V185 HydrophobicContact CG-CB 4.42Å; W146-V185 HydrophobicContact CG-CG1 4.14Å; W146-V185 HydrophobicContact CG-CG2 4.07Å; C163-V185 CarbonylContact C-O 3.39Å; C163-V185 WeakPolarHBondContact CA-O 3.48Å; C163-V185 WeakPolarHBondContact CB-O 3.34Å; Q164-V185 PolarHBondContact N-O 2.81Å; G165-V185 PolarHBondContact O-N 2.57Å; V183-V185 HydrophobicContact CG2-CG2 4.11Å
186A82.9Confident75.7Confident0 Ų042.7 Ų42.70%023%0.234CC..EExtended strand (participates in β ladder)trans-94.4144177.600000111.6V137 A138 H139 V140 W161 T188V137-A186 HydrophobicContact CG1-CB 3.87Å; A138-A186 PolarHBondContact O-N 2.8Å; H139-A186 CarbonylContact C-O 3.58Å; V140-A186 WeakPolarHBondContact CB-O 3.32Å; V140-A186 PolarHBondContact N-O 3.01Å; W161-A186 HydrophobicContact CH2-CB 3.32Å; W161-A186 HydrophobicContact CZ2-CB 3.43Å; W161-A186 VanDerWaalsContact CZ2-CB 3.43Å; W161-A186 HydrophobicContact CZ3-CB 4.16Å; A186-T188 VanDerWaalsContact C-N 3.26Å; A186-T188 WeakPolarHBondContact CB-O 3.34Å; A186-T188 PolarHBondContact O-N 3.21Å
187D83Confident76.6Confident61 Ų6140.5 Ų40.533%0.32621%0.211SC..SBendtrans-73.5-20.5178.264.11.1000113.7H139 Q164H139-D187 PolarHBondContact NE2-O 2.82Å; Q164-D187 HydrophobicContact CG-CB 3.76Å
188T80Confident77.1Confident66 Ų6640 Ų4041%0.40521%0.206SC..SBendtrans-125.9160.9-177.344.20000109.2H139 W161 A186 P190H139-T188 PolarHBondContact CD2-O 3.43Å; W161-T188 PolarHBondContact NE1-OG1 3.02Å; A186-T188 VanDerWaalsContact C-N 3.26Å; A186-T188 WeakPolarHBondContact CB-O 3.34Å; A186-T188 PolarHBondContact O-N 3.21Å; T188-P190 WeakPolarHBondContact O-CD 3.33Å
189K77.1Confident77Confident95 Ų9535.6 Ų35.641%0.41319%0.193SC..  trans-68.9116.6179.2-73.3-163.2-171.3-157.50110.6H139 L191 G192 F193 D194H139-K189 HydrophobicContact CB-CG 4.32Å; K189-L191 PolarHBondContact O-N 2.77Å; K189-G192 WeakPolarHBondContact CD-O 3.37Å; K189-G192 PolarHBondContact O-N 2.96Å; K189-G192 VanDerWaalsContact O-N 3.17Å; K189-F193 WeakPolarHBondContact CA-O 3.46Å; K189-F193 VanDerWaalsContact CB-O 3.3Å; K189-F193 WeakPolarHBondContact CB-O 3.33Å; K189-D194 WeakPolarHBondContact CE-OD1 3.47Å; K189-D194 IonicContact NZ-OD1 2.83Å; K189-D194 PolarHBondContact NZ-OD1 2.81Å; K189-D194 IonicContact NZ-OD2 3.39Å
190P64.5Low77.2Confident1 Ų136.7 Ų36.71%0.00620%0.198CC..G310 helixtrans-54.6115173.17.6-18.1000111.2V137 W161 T188 G192 F193 I196V137-P190 HydrophobicContact CB-CG 4.38Å; V137-P190 HydrophobicContact CG1-CB 4.47Å; V137-P190 HydrophobicContact CG1-CG 4.1Å; W161-P190 HydrophobicContact CH2-CB 3.27Å; W161-P190 HydrophobicContact CH2-CG 3.81Å; W161-P190 HydrophobicContact CZ2-CB 4.12Å; W161-P190 HydrophobicContact CZ3-CB 3.88Å; T188-P190 WeakPolarHBondContact O-CD 3.33Å; P190-G192 PolarHBondContact O-N 3.01Å; P190-F193 VanDerWaalsContact CD-O 3.24Å; P190-F193 WeakPolarHBondContact CD-O 3.28Å; P190-F193 WeakPolarHBondContact O-CB 3.12Å; P190-F193 PolarHBondContact O-N 2.71Å; P190-I196 HydrophobicContact CB-CD1 3.34Å; P190-I196 HydrophobicContact CB-CG1 3.48Å; P190-I196 VanDerWaalsContact CB-CG1 3.48Å; P190-I196 HydrophobicContact CG-CD1 4.15Å; P190-I196 HydrophobicContact CG-CG1 3.79Å
191L63.2Low76.9Confident99 Ų9931.5 Ų31.552%0.51817%0.173SC..G310 helixtrans53.525.4178.5-57.6169.7000113.6L128 K189 F193 Y581 F583L128-L191 HydrophobicContact CD2-CD1 3.61Å; K189-L191 PolarHBondContact O-N 2.77Å; L191-F193 VanDerWaalsContact C-N 3.33Å; L191-F193 HydrophobicContact CB-CD2 4.04Å; L191-F193 HydrophobicContact CB-CE2 4.41Å; L191-F193 VanDerWaalsContact O-CD2 3.24Å; L191-F193 WeakPolarHBondContact O-CD2 3.38Å; L191-F193 WeakPolarHBondContact O-CE2 3.23Å; L191-Y581 VanDerWaalsContact C-OH 3.29Å; L191-Y581 WeakPolarHBondContact O-CE1 2.93Å; L191-Y581 PolarHBondContact O-OH 3.46Å; L191-F583 HydrophobicContact CB-CE1 4.4Å; L191-F583 HydrophobicContact CB-CZ 3.91Å; L191-F583 HydrophobicContact CD1-CE1 4.31Å; L191-F583 HydrophobicContact CD1-CZ 4.08Å; L191-F583 HydrophobicContact CG-CZ 4.45Å
192G66Low76.5Confident41 Ų4131.8 Ų31.842%0.42317%0.174SC..G310 helixtrans82.6-0.9-175.300000115.6K189 P190K189-G192 WeakPolarHBondContact CD-O 3.37Å; K189-G192 PolarHBondContact O-N 2.96Å; K189-G192 VanDerWaalsContact O-N 3.17Å; P190-G192 PolarHBondContact O-N 3.01Å
193F66.6Low76Confident39 Ų3930 Ų3017%0.17118%0.175CC..  trans-91.7152.3177.6-63-95.8000112S126 L128 K189 P190 L191 F195 F583S126-F193 WeakPolarHBondContact OG-CA 3.26Å; L128-F193 HydrophobicContact CB-CB 4.13Å; L128-F193 HydrophobicContact CB-CD1 3.89Å; L128-F193 HydrophobicContact CB-CD2 3.87Å; L128-F193 HydrophobicContact CB-CE1 4.27Å; L128-F193 HydrophobicContact CB-CE2 4.28Å; L128-F193 HydrophobicContact CB-CG 3.68Å; L128-F193 HydrophobicContact CB-CZ 4.46Å; L128-F193 HydrophobicContact CD1-CE2 4.3Å; L128-F193 HydrophobicContact CD1-CZ 4.24Å; L128-F193 HydrophobicContact CD2-CD2 4.27Å; L128-F193 HydrophobicContact CD2-CE2 4.46Å; K189-F193 WeakPolarHBondContact CA-O 3.46Å; K189-F193 VanDerWaalsContact CB-O 3.3Å; K189-F193 WeakPolarHBondContact CB-O 3.33Å; P190-F193 VanDerWaalsContact CD-O 3.24Å; P190-F193 WeakPolarHBondContact CD-O 3.28Å; P190-F193 WeakPolarHBondContact O-CB 3.12Å; P190-F193 PolarHBondContact O-N 2.71Å; L191-F193 VanDerWaalsContact C-N 3.33Å; L191-F193 HydrophobicContact CB-CD2 4.04Å; L191-F193 HydrophobicContact CB-CE2 4.41Å; L191-F193 VanDerWaalsContact O-CD2 3.24Å; L191-F193 WeakPolarHBondContact O-CD2 3.38Å; L191-F193 WeakPolarHBondContact O-CE2 3.23Å; F193-F195 VanDerWaalsContact C-N 3.28Å; F193-F583 HydrophobicContact CD2-CE1 4.11Å; F193-F583 AromaticContact CE2-CD1 3.57Å; F193-F583 HydrophobicContact CE2-CD1 3.57Å; F193-F583 AromaticContact CE2-CE1 3.2Å; F193-F583 HydrophobicContact CE2-CE1 3.2Å; F193-F583 HydrophobicContact CE2-CE2 4.46Å; F193-F583 HydrophobicContact CE2-CG 4.32Å; F193-F583 AromaticContact CE2-CZ 3.71Å; F193-F583 HydrophobicContact CE2-CZ 3.71Å; F193-F583 AromaticContact CZ-CD1 3.56Å; F193-F583 HydrophobicContact CZ-CD1 3.56Å; F193-F583 AromaticContact CZ-CE1 3.73Å; F193-F583 HydrophobicContact CZ-CE1 3.73Å; F193-F583 HydrophobicContact CZ-CG 4.17Å; F193-F583 HydrophobicContact CZ-CZ 4.47Å
194D74.3Confident75.7Confident20 Ų2032 Ų3211%0.10719%0.191CC..SBendtrans-76.9-20.5176.8-59.5-67.8000112.3R125 S126 H139 S142 K189R125-D194 WeakPolarHBondContact CA-OD2 3.19Å; R125-D194 HydrophobicContact CB-CB 3.96Å; R125-D194 HydrophobicContact CG-CB 4.23Å; S126-D194 PolarHBondContact N-OD2 2.89Å; S126-D194 WeakPolarHBondContact O-CB 3.44Å; S126-D194 PolarHBondContact O-N 2.95Å; S126-D194 PolarHBondContact OG-N 3.47Å; S126-D194 PolarHBondContact OG-OD2 3.04Å; H139-D194 WeakPolarHBondContact CB-O 3.4Å; H139-D194 PolarHBondContact N-O 2.76Å; S142-D194 PolarHBondContact OG-O 3.14Å; K189-D194 WeakPolarHBondContact CE-OD1 3.47Å; K189-D194 IonicContact NZ-OD1 2.83Å; K189-D194 PolarHBondContact NZ-OD1 2.81Å; K189-D194 IonicContact NZ-OD2 3.39Å
195F76.6Confident75Confident1 Ų132 Ų320%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-155.4138.3-178.3-164.9-94.1000111.3S126 V127 L128 C136 V137 A138 V169 L171 V181 V183 F193 L197 L592S126-F195 PolarHBondContact O-N 2.94Å; V127-F195 CarbonylContact C-O 3.6Å; V127-F195 WeakPolarHBondContact CA-O 3.33Å; V127-F195 HydrophobicContact CG1-CB 4.4Å; V127-F195 HydrophobicContact CG1-CD1 3.98Å; V127-F195 HydrophobicContact CG2-CB 4.21Å; L128-F195 PolarHBondContact N-O 2.79Å; C136-F195 HydrophobicContact CB-CE1 3.96Å; C136-F195 HydrophobicContact CB-CE2 4.48Å; C136-F195 HydrophobicContact CB-CZ 3.64Å; V137-F195 CarbonylContact O-C 3.55Å; V137-F195 VanDerWaalsContact O-CA 3.31Å; V137-F195 WeakPolarHBondContact O-CA 3.43Å; A138-F195 HydrophobicContact CB-CD2 3.69Å; A138-F195 HydrophobicContact CB-CE2 3.88Å; V169-F195 HydrophobicContact CB-CE2 3.99Å; V169-F195 HydrophobicContact CB-CZ 4.49Å; V169-F195 HydrophobicContact CG1-CE2 3.83Å; V169-F195 HydrophobicContact CG1-CZ 4.37Å; V169-F195 HydrophobicContact CG2-CE2 4.05Å; L171-F195 HydrophobicContact CD1-CE1 4.47Å; L171-F195 HydrophobicContact CD2-CE1 3.9Å; L171-F195 HydrophobicContact CD2-CE2 4.4Å; L171-F195 HydrophobicContact CD2-CZ 3.79Å; V181-F195 HydrophobicContact CG2-CZ 4.13Å; V183-F195 HydrophobicContact CG1-CE2 3.73Å; V183-F195 HydrophobicContact CG1-CZ 3.87Å; F193-F195 VanDerWaalsContact C-N 3.28Å; F195-L197 HydrophobicContact CD1-CB 4.21Å; F195-L197 HydrophobicContact CE1-CB 4.13Å; F195-L197 HydrophobicContact CE1-CD1 4.08Å; F195-L592 HydrophobicContact CB-CD1 3.57Å; F195-L592 HydrophobicContact CB-CD2 4.29Å; F195-L592 HydrophobicContact CD1-CD2 4.24Å; F195-L592 HydrophobicContact CD2-CD1 4.28Å; F195-L592 HydrophobicContact CD2-CD2 3.46Å; F195-L592 VanDerWaalsContact CD2-CD2 3.46Å; F195-L592 HydrophobicContact CE1-CD2 4.44Å; F195-L592 HydrophobicContact CE2-CD2 3.69Å; F195-L592 HydrophobicContact CG-CD1 3.96Å; F195-L592 HydrophobicContact CG-CD2 3.76Å; F195-L592 HydrophobicContact CG-CG 4.48Å; F195-L592 HydrophobicContact CZ-CD2 4.19Å
196I78.4Confident74.2Confident8 Ų834.4 Ų34.44%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-100.9113.1162.8-58.6-176.5000107.7L128 D130 C136 V137 P190 S198L128-I196 HydrophobicContact CB-CG1 4.4Å; L128-I196 HydrophobicContact CD2-CD1 4.42Å; L128-I196 HydrophobicContact CD2-CG1 4.22Å; L128-I196 CarbonylContact O-C 3.35Å; L128-I196 WeakPolarHBondContact O-CA 3.19Å; D130-I196 HydrophobicContact CB-CG2 3.4Å; D130-I196 VanDerWaalsContact CB-CG2 3.4Å; C136-I196 CarbonylContact C-O 3.55Å; C136-I196 WeakPolarHBondContact CA-O 3.22Å; C136-I196 WeakPolarHBondContact CB-O 3.33Å; V137-I196 HydrophobicContact CB-CB 4.07Å; V137-I196 HydrophobicContact CB-CD1 4.24Å; V137-I196 HydrophobicContact CB-CG1 4.27Å; V137-I196 HydrophobicContact CG2-CB 4.45Å; V137-I196 HydrophobicContact CG2-CD1 4.33Å; V137-I196 PolarHBondContact N-O 3.39Å; V137-I196 PolarHBondContact O-N 3.3Å; P190-I196 HydrophobicContact CB-CD1 3.34Å; P190-I196 HydrophobicContact CB-CG1 3.48Å; P190-I196 VanDerWaalsContact CB-CG1 3.48Å; P190-I196 HydrophobicContact CG-CD1 4.15Å; P190-I196 HydrophobicContact CG-CG1 3.79Å; I196-S198 PolarHBondContact O-N 3.4Å
197L76Confident73.5Confident0 Ų035.6 Ų35.60%023%0.228CC..EExtended strand (participates in β ladder)trans-80.8105.9168.1-17871.9000109.4V127 L128 V129 D130 L171 F195 I202 L205 F218 L590V127-L197 HydrophobicContact CG1-CB 3.8Å; L128-L197 PolarHBondContact O-N 2.91Å; V129-L197 WeakPolarHBondContact CA-O 3.36Å; V129-L197 HydrophobicContact CG1-CD2 4.46Å; V129-L197 HydrophobicContact CG2-CD2 4.15Å; D130-L197 PolarHBondContact N-O 2.83Å; L171-L197 HydrophobicContact CD1-CD1 3.38Å; F195-L197 HydrophobicContact CD1-CB 4.21Å; F195-L197 HydrophobicContact CE1-CB 4.13Å; F195-L197 HydrophobicContact CE1-CD1 4.08Å; L197-I202 HydrophobicContact CD2-CG1 4.02Å; L197-I202 HydrophobicContact CG-CG1 4.02Å; L197-L205 HydrophobicContact CD1-CD1 3.95Å; L197-L205 HydrophobicContact CD2-CD1 3.95Å; L197-F218 HydrophobicContact CD2-CD1 4.48Å; L197-F218 HydrophobicContact CD2-CE1 3.47Å; L197-F218 VanDerWaalsContact CD2-CE1 3.47Å; L197-F218 HydrophobicContact CD2-CE2 4.36Å; L197-F218 HydrophobicContact CD2-CZ 3.39Å; L197-L590 HydrophobicContact CD2-CD1 3.9Å
198S76.3Confident72.6Confident0 Ų035.8 Ų35.80%023%0.231CC..  trans-98.4178.5-177.4166.90000112.1D130 C133 S134 T135 C136 I196 N200 G201 I202D130-S198 VanDerWaalsContact O-CA 3.32Å; D130-S198 WeakPolarHBondContact O-CA 3.17Å; C133-S198 WeakPolarHBondContact CB-OG 3.3Å; C133-S198 PolarHBondContact O-OG 3.34Å; S134-S198 WeakPolarHBondContact CA-OG 3.49Å; S134-S198 PolarHBondContact N-OG 2.66Å; S134-S198 PolarHBondContact O-OG 3.23Å; T135-S198 WeakPolarHBondContact CA-OG 3.41Å; T135-S198 PolarHBondContact N-OG 3.38Å; T135-S198 WeakPolarHBondContact O-CB 3.36Å; T135-S198 PolarHBondContact O-OG 3.41Å; C136-S198 VanDerWaalsContact CA-CB 3.49Å; C136-S198 VanDerWaalsContact N-CB 3.26Å; C136-S198 PolarHBondContact SG-N 3.43Å; I196-S198 PolarHBondContact O-N 3.4Å; S198-N200 VanDerWaalsContact C-N 3.28Å; S198-N200 PolarHBondContact O-N 3.31Å; S198-G201 WeakPolarHBondContact O-CA 3.31Å; S198-G201 PolarHBondContact O-N 2.88Å; S198-I202 WeakPolarHBondContact O-CG1 3.17Å; S198-I202 PolarHBondContact O-N 3.5Å
199M74Confident71.7Confident70 Ų7035.5 Ų35.535%0.34523%0.232SC..Hα-helixtrans-49.4-40.7178.1-71.9-71.289.900114.2I131 C133 G201 I202 A203I131-M199 HydrophobicContact CB-CE 3.93Å; I131-M199 HydrophobicContact CG2-CE 3.71Å; C133-M199 WeakPolarHBondContact O-CG 3.08Å; C133-M199 PolarHBondContact O-N 2.8Å; M199-G201 VanDerWaalsContact C-N 3.29Å; M199-G201 PolarHBondContact O-N 2.92Å; M199-I202 HydrophobicContact CE-CB 4.13Å; M199-I202 HydrophobicContact CE-CD1 3.22Å; M199-I202 HydrophobicContact CE-CG1 4.25Å; M199-I202 HydrophobicContact CE-CG2 4.23Å; M199-I202 PolarHBondContact O-N 3.13Å; M199-A203 WeakPolarHBondContact O-CB 3.48Å; M199-A203 PolarHBondContact O-N 3.02Å
200N78.4Confident70.8Confident45 Ų4534.6 Ų34.624%0.24123%0.234CC..Hα-helixtrans-63.2-35.8176.970.9-28.6000112.8S134 C136 N182 S198 A204S134-N200 WeakPolarHBondContact O-CB 3.43Å; S134-N200 PolarHBondContact O-N 2.85Å; C136-N200 PolarHBondContact N-OD1 3.21Å; C136-N200 PolarHBondContact SG-OD1 2.92Å; N182-N200 PolarHBondContact O-ND2 2.89Å; S198-N200 VanDerWaalsContact C-N 3.28Å; S198-N200 PolarHBondContact O-N 3.31Å; N200-A204 VanDerWaalsContact O-CB 3.28Å; N200-A204 WeakPolarHBondContact O-CB 3.32Å; N200-A204 PolarHBondContact O-N 3.13Å; N200-A204 VanDerWaalsContact O-N 3.07Å
201G76.4Confident70.5Confident0 Ų035.5 Ų35.50%024%0.239CC..Hα-helixtrans-77.5-38.9175.900000113.4S198 M199 A204 L205S198-G201 WeakPolarHBondContact O-CA 3.31Å; S198-G201 PolarHBondContact O-N 2.88Å; M199-G201 VanDerWaalsContact C-N 3.29Å; M199-G201 PolarHBondContact O-N 2.92Å; G201-A204 PolarHBondContact O-N 3.01Å; G201-L205 VanDerWaalsContact O-CB 3.32Å; G201-L205 WeakPolarHBondContact O-CB 3.4Å; G201-L205 WeakPolarHBondContact O-CD1 3.38Å; G201-L205 WeakPolarHBondContact O-CG 3.33Å; G201-L205 PolarHBondContact O-N 3.26Å
202I72.8Confident69.4Low11 Ų1133.4 Ų33.46%0.05624%0.241CC..Hα-helixtrans-61.9-45.3174.1-67.9159.7000110.2V129 I131 L197 S198 M199 L205 G207 V208 F218V129-I202 HydrophobicContact CG1-CD1 3.7Å; V129-I202 HydrophobicContact CG1-CG1 4.27Å; I131-I202 HydrophobicContact CG2-CD1 4.38Å; L197-I202 HydrophobicContact CD2-CG1 4.02Å; L197-I202 HydrophobicContact CG-CG1 4.02Å; S198-I202 WeakPolarHBondContact O-CG1 3.17Å; S198-I202 PolarHBondContact O-N 3.5Å; M199-I202 HydrophobicContact CE-CB 4.13Å; M199-I202 HydrophobicContact CE-CD1 3.22Å; M199-I202 HydrophobicContact CE-CG1 4.25Å; M199-I202 HydrophobicContact CE-CG2 4.23Å; M199-I202 PolarHBondContact O-N 3.13Å; I202-L205 PolarHBondContact O-N 3.34Å; I202-G207 WeakPolarHBondContact O-CA 3.4Å; I202-G207 PolarHBondContact O-N 2.78Å; I202-V208 HydrophobicContact CG2-CB 4.06Å; I202-V208 HydrophobicContact CG2-CG1 3.94Å; I202-F218 HydrophobicContact CG1-CE1 4.27Å
203A73Confident69.1Low74 Ų7437.8 Ų37.861%0.61225%0.251SS*.Hα-helixtrans-62.9-45.4176.200000111.8M199 L205 G206M199-A203 WeakPolarHBondContact O-CB 3.48Å; M199-A203 PolarHBondContact O-N 3.02Å; A203-L205 VanDerWaalsContact C-N 3.27Å; A203-L205 PolarHBondContact O-N 3.27Å; A203-G206 PolarHBondContact O-N 2.57Å; A203-G206 VanDerWaalsContact O-N 3.12Å
204A77.8Confident68.2Low42 Ų4245.6 Ų45.635%0.34728%0.279SS..Hα-helixtrans-60.5-38.1177.100000112V179 V181 N200 G201 G206V179-A204 HydrophobicContact CB-CB 4.1Å; V179-A204 WeakPolarHBondContact CG1-O 3.13Å; V179-A204 HydrophobicContact CG2-CB 3.93Å; V181-A204 HydrophobicContact CG1-CB 3.7Å; N200-A204 VanDerWaalsContact O-CB 3.28Å; N200-A204 WeakPolarHBondContact O-CB 3.32Å; N200-A204 PolarHBondContact O-N 3.13Å; N200-A204 VanDerWaalsContact O-N 3.07Å; G201-A204 PolarHBondContact O-N 3.01Å; A204-G206 PolarHBondContact O-N 2.91Å
205L71.3Confident67.1Low0 Ų050.7 Ų50.70%030%0.296CS..THydrogen-bonded Turntrans-77.112.4177.7-70.6169.1000114.4L171 V179 L197 G201 I202 A203 F218 G219 V220 L590L171-L205 HydrophobicContact CB-CD2 4.14Å; L171-L205 HydrophobicContact CD1-CD1 3.97Å; L171-L205 HydrophobicContact CD1-CG 4.29Å; V179-L205 HydrophobicContact CG1-CD2 4.48Å; V179-L205 HydrophobicContact CG2-CD2 3.48Å; V179-L205 VanDerWaalsContact CG2-CD2 3.48Å; V179-L205 HydrophobicContact CG2-CG 3.77Å; L197-L205 HydrophobicContact CD1-CD1 3.95Å; L197-L205 HydrophobicContact CD2-CD1 3.95Å; G201-L205 VanDerWaalsContact O-CB 3.32Å; G201-L205 WeakPolarHBondContact O-CB 3.4Å; G201-L205 WeakPolarHBondContact O-CD1 3.38Å; G201-L205 WeakPolarHBondContact O-CG 3.33Å; G201-L205 PolarHBondContact O-N 3.26Å; I202-L205 PolarHBondContact O-N 3.34Å; A203-L205 VanDerWaalsContact C-N 3.27Å; A203-L205 PolarHBondContact O-N 3.27Å; L205-F218 HydrophobicContact CB-CB 3.92Å; L205-F218 HydrophobicContact CB-CD1 3.86Å; L205-F218 HydrophobicContact CB-CG 4.16Å; L205-F218 HydrophobicContact CD1-CB 4.43Å; L205-F218 HydrophobicContact CD1-CD1 3.7Å; L205-F218 HydrophobicContact CD1-CE1 4.05Å; L205-F218 HydrophobicContact CD1-CG 3.95Å; L205-F218 HydrophobicContact CG-CD1 4.44Å; L205-G219 PolarHBondContact O-N 2.89Å; L205-G219 VanDerWaalsContact O-N 3.13Å; L205-V220 VanDerWaalsContact C-CG2 3.48Å; L205-V220 VanDerWaalsContact O-CG2 3.26Å; L205-V220 WeakPolarHBondContact O-CG2 2.84Å; L205-V220 PolarHBondContact O-N 3.06Å; L205-L590 HydrophobicContact CD1-CD1 4.18Å; L205-L590 HydrophobicContact CD1-CD2 3.99Å
206G69.1Low66.3Low49 Ų4951.6 Ų51.651%0.50530%0.302SS..THydrogen-bonded Turntrans76.324.4177.700000113.9A203 A204A203-G206 PolarHBondContact O-N 2.57Å; A203-G206 VanDerWaalsContact O-N 3.12Å; A204-G206 PolarHBondContact O-N 2.91Å
207G67.8Low65.5Low26 Ų2657.4 Ų57.427%0.26832%0.324SS..  trans83.2176.5-176.100000113I202 F218 G219I202-G207 WeakPolarHBondContact O-CA 3.4Å; I202-G207 PolarHBondContact O-N 2.78Å; G207-F218 WeakPolarHBondContact O-CA 2.93Å; G207-G219 PolarHBondContact O-N 3.38Å
208V65.9Low65.1Low64 Ų6458.2 Ų58.239%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-123.7131.3-178.467.40000109.5I202 V216 R217 F218I202-V208 HydrophobicContact CG2-CB 4.06Å; I202-V208 HydrophobicContact CG2-CG1 3.94Å; V208-V216 HydrophobicContact CG2-CG1 3.29Å; V208-R217 CarbonylContact C-O 3.56Å; V208-R217 WeakPolarHBondContact CA-O 3.41Å; V208-F218 HydrophobicContact CB-CD1 4.07Å; V208-F218 HydrophobicContact CB-CE1 3.85Å; V208-F218 HydrophobicContact CG2-CD1 4.14Å; V208-F218 HydrophobicContact CG2-CE1 3.7Å; V208-F218 HydrophobicContact CG2-CZ 4Å
209S59.4Low64.1Low61 Ų6160.4 Ų60.443%0.42735%0.35SS..EExtended strand (participates in β ladder)trans-122.4152.7171.3600000109.6V216 R217S209-V216 CarbonylContact O-C 3.53Å; S209-V216 WeakPolarHBondContact O-CA 3.34Å; S209-R217 PolarHBondContact N-O 2.94Å; S209-R217 PolarHBondContact O-N 3.37Å
210V59.8Low63.2Low76 Ų7659.4 Ų59.446%0.46135%0.347SS..EExtended strand (participates in β ladder)trans-119.9117.9175.4-176.90000106.3R215 V216 F586V210-R215 WeakPolarHBondContact CA-O 3.45Å; V210-V216 HydrophobicContact CG2-CG2 4.29Å; V210-F586 HydrophobicContact CG1-CE1 4.48Å
211D56.4Low61.5Low20 Ų2066 Ų6611%0.10738%0.377CS..  trans-73.5166.5178.473.113000111.6Q213 R214 R215 R217D211-Q213 PolarHBondContact O-N 3.31Å; D211-Q213 WeakPolarHBondContact OD1-CA 3.39Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.33Å; D211-Q213 PolarHBondContact OD1-N 2.95Å; D211-R214 WeakPolarHBondContact O-CA 3.44Å; D211-R214 PolarHBondContact O-N 3.22Å; D211-R214 PolarHBondContact OD1-N 2.9Å; D211-R215 PolarHBondContact N-O 2.85Å; D211-R215 WeakPolarHBondContact OD1-CB 3.41Å; D211-R215 PolarHBondContact OD1-N 2.94Å; D211-R215 IonicContact OD1-NE 3.72Å; D211-R215 IonicContact OD2-CZ 3.66Å; D211-R215 VanDerWaalsContact OD2-CZ 3.3Å; D211-R215 IonicContact OD2-NE 3.3Å; D211-R215 PolarHBondContact OD2-NE 2.81Å; D211-R215 IonicContact OD2-NH2 2.79Å; D211-R215 PolarHBondContact OD2-NH2 2.86Å; D211-R217 IonicContact OD2-CZ 3.79Å; D211-R217 IonicContact OD2-NE 3.5Å; D211-R217 PolarHBondContact OD2-NE 3.02Å; D211-R217 IonicContact OD2-NH2 2.87Å; D211-R217 PolarHBondContact OD2-NH2 2.58Å
212G41.5Very low59.5Low54 Ų5470.8 Ų70.856%0.55741%0.409SS*.THydrogen-bonded Turntrans-56.1-15177.100000115.2R214 N476G212-R214 VanDerWaalsContact C-N 3.33Å; G212-N476 PolarHBondContact N-OD1 3.32Å
213Q59.4Low57.3Low134 Ų13474.2 Ų74.263%0.62644%0.439SS*.THydrogen-bonded Turntrans-92.713.6172.7-63.8-173.8-20.600113D211 R215D211-Q213 PolarHBondContact O-N 3.31Å; D211-Q213 WeakPolarHBondContact OD1-CA 3.39Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.33Å; D211-Q213 PolarHBondContact OD1-N 2.95Å; Q213-R215 HydrophobicContact CB-CG 4.36Å; Q213-R215 PolarHBondContact O-N 2.93Å; Q213-R215 VanDerWaalsContact OE1-NH1 3.11Å
214R46.5Very low55Low203 Ų20375.7 Ų75.777%0.76645%0.451SS*.  trans59.623.7-175.8-57-175.5177.7-173.7-0.7114D211 G212 F586D211-R214 WeakPolarHBondContact O-CA 3.44Å; D211-R214 PolarHBondContact O-N 3.22Å; D211-R214 PolarHBondContact OD1-N 2.9Å; G212-R214 VanDerWaalsContact C-N 3.33Å; R214-F586 WeakPolarHBondContact O-CD1 3.07Å
215R53Low52.6Low126 Ų12679.2 Ų79.248%0.47547%0.468SS..  trans-87.4127.4174.1-58.9179.7-66.4-156.1-7.6109.3V210 D211 Q213V210-R215 WeakPolarHBondContact CA-O 3.45Å; D211-R215 PolarHBondContact N-O 2.85Å; D211-R215 WeakPolarHBondContact OD1-CB 3.41Å; D211-R215 PolarHBondContact OD1-N 2.94Å; D211-R215 IonicContact OD1-NE 3.72Å; D211-R215 IonicContact OD2-CZ 3.66Å; D211-R215 VanDerWaalsContact OD2-CZ 3.3Å; D211-R215 IonicContact OD2-NE 3.3Å; D211-R215 PolarHBondContact OD2-NE 2.81Å; D211-R215 IonicContact OD2-NH2 2.79Å; D211-R215 PolarHBondContact OD2-NH2 2.86Å; Q213-R215 HydrophobicContact CB-CG 4.36Å; Q213-R215 PolarHBondContact O-N 2.93Å; Q213-R215 VanDerWaalsContact OE1-NH1 3.11Å
216V58.1Low50.4Low21 Ų2184.4 Ų84.413%0.12750%0.503CS..EExtended strand (participates in β ladder)trans-75.6125.5174.2-178.30000108.8V208 S209 V210 F218 F586 T588V208-V216 HydrophobicContact CG2-CG1 3.29Å; S209-V216 CarbonylContact O-C 3.53Å; S209-V216 WeakPolarHBondContact O-CA 3.34Å; V210-V216 HydrophobicContact CG2-CG2 4.29Å; V216-F218 HydrophobicContact CG1-CD2 4.36Å; V216-F218 HydrophobicContact CG1-CE2 3.67Å; V216-F218 HydrophobicContact CG1-CZ 3.82Å; V216-F586 HydrophobicContact CG2-CB 3.48Å; V216-F586 VanDerWaalsContact CG2-CB 3.48Å; V216-F586 HydrophobicContact CG2-CD1 3.43Å; V216-F586 VanDerWaalsContact CG2-CD1 3.43Å; V216-F586 HydrophobicContact CG2-CD2 4.02Å; V216-F586 HydrophobicContact CG2-CE1 4.11Å; V216-F586 HydrophobicContact CG2-CG 3.37Å; V216-T588 HydrophobicContact CB-CG2 3.8Å; V216-T588 HydrophobicContact CG1-CG2 4.05Å; V216-T588 HydrophobicContact CG2-CG2 4.18Å
217R63Low48.3Very low129 Ų12987.2 Ų87.249%0.48752%0.522SS..EExtended strand (participates in β ladder)trans-117.6142.7171.8-60.6-175-170.9-176.33.6108.8V208 S209 D211V208-R217 CarbonylContact C-O 3.56Å; V208-R217 WeakPolarHBondContact CA-O 3.41Å; S209-R217 PolarHBondContact N-O 2.94Å; S209-R217 PolarHBondContact O-N 3.37Å; D211-R217 IonicContact OD2-CZ 3.79Å; D211-R217 IonicContact OD2-NE 3.5Å; D211-R217 PolarHBondContact OD2-NE 3.02Å; D211-R217 IonicContact OD2-NH2 2.87Å; D211-R217 PolarHBondContact OD2-NH2 2.58Å
218F67Low46.6Very low18 Ų1890.3 Ų90.38%0.07954%0.536CS..EExtended strand (participates in β ladder)trans-108.6133.4170.9-65.1-86000108.6V129 L197 I202 L205 G207 V208 V216 V220 T588 L590V129-F218 HydrophobicContact CG2-CZ 4.25Å; L197-F218 HydrophobicContact CD2-CD1 4.48Å; L197-F218 HydrophobicContact CD2-CE1 3.47Å; L197-F218 VanDerWaalsContact CD2-CE1 3.47Å; L197-F218 HydrophobicContact CD2-CE2 4.36Å; L197-F218 HydrophobicContact CD2-CZ 3.39Å; I202-F218 HydrophobicContact CG1-CE1 4.27Å; L205-F218 HydrophobicContact CB-CB 3.92Å; L205-F218 HydrophobicContact CB-CD1 3.86Å; L205-F218 HydrophobicContact CB-CG 4.16Å; L205-F218 HydrophobicContact CD1-CB 4.43Å; L205-F218 HydrophobicContact CD1-CD1 3.7Å; L205-F218 HydrophobicContact CD1-CE1 4.05Å; L205-F218 HydrophobicContact CD1-CG 3.95Å; L205-F218 HydrophobicContact CG-CD1 4.44Å; G207-F218 WeakPolarHBondContact O-CA 2.93Å; V208-F218 HydrophobicContact CB-CD1 4.07Å; V208-F218 HydrophobicContact CB-CE1 3.85Å; V208-F218 HydrophobicContact CG2-CD1 4.14Å; V208-F218 HydrophobicContact CG2-CE1 3.7Å; V208-F218 HydrophobicContact CG2-CZ 4Å; V216-F218 HydrophobicContact CG1-CD2 4.36Å; V216-F218 HydrophobicContact CG1-CE2 3.67Å; V216-F218 HydrophobicContact CG1-CZ 3.82Å; F218-V220 PolarHBondContact O-N 2.82Å; F218-T588 HydrophobicContact CE2-CG2 4.37Å; F218-L590 HydrophobicContact CD2-CD1 3.67Å; F218-L590 HydrophobicContact CE2-CD1 3.2Å; F218-L590 HydrophobicContact CE2-CG 4.41Å; F218-L590 HydrophobicContact CZ-CD1 3.69Å
219G56.2Low45Very low46 Ų4693.4 Ų93.447%0.47456%0.555SS.*  trans-8933.7-156.700000117.3L205 G207 E221L205-G219 PolarHBondContact O-N 2.89Å; L205-G219 VanDerWaalsContact O-N 3.13Å; G207-G219 PolarHBondContact O-N 3.38Å; G219-E221 PolarHBondContact O-N 2.89Å
220V54.6Low44.1Very low48 Ų4896.4 Ų96.429%0.29157%0.566SS.*  trans-86.389.3164.6-162.30000108.7L205 F218L205-V220 VanDerWaalsContact C-CG2 3.48Å; L205-V220 VanDerWaalsContact O-CG2 3.26Å; L205-V220 WeakPolarHBondContact O-CG2 2.84Å; L205-V220 PolarHBondContact O-N 3.06Å; F218-V220 PolarHBondContact O-N 2.82Å
221E43.4Very low43.5Very low185 Ų18595.9 Ų95.986%0.86457%0.569SS**  trans-82.3117.8165.4-78.7-171.6170.700109.4G219 A223G219-E221 PolarHBondContact O-N 2.89Å; E221-A223 PolarHBondContact O-N 3.26Å
222C32.7Very low43.7Very low99 Ų9996.6 Ų96.667%0.66958%0.581SS**  trans-71.690.6-177.7-160.50000110.6
223A28Very low45.6Very low84 Ų8495.9 Ų95.969%0.69457%0.566SS**  trans-80.1123.1148.400000106.4E221 V225E221-A223 PolarHBondContact O-N 3.26Å; A223-V225 PolarHBondContact O-N 2.81Å
224A25Very low47.1Very low104 Ų10497.6 Ų97.686%0.8657%0.566SS**SBendtrans-43.994.1-177.500000113.2
225V27.2Very low49.2Very low116 Ų11690.9 Ų90.970%0.70354%0.543SS*.  trans-129.9112.6157-179.30000104.5A223A223-V225 PolarHBondContact O-N 2.81Å
226C24.6Very low51Low109 Ų10989.1 Ų89.174%0.73654%0.54SS*.  trans-34.9145.4177.9-55.20000112.9T228C226-T228 PolarHBondContact O-N 2.94Å; C226-T228 PolarHBondContact O-OG1 3.07Å
227A24.6Very low52.5Low109 Ų10991.2 Ų91.290%0.90155%0.549SS*.  trans-28.1101.2158.200000111.4
228T32.9Very low53.6Low91 Ų9191.5 Ų91.556%0.55855%0.553SS**  trans-121.884.8176.819.40000106.6C226 L230 A231C226-T228 PolarHBondContact O-N 2.94Å; C226-T228 PolarHBondContact O-OG1 3.07Å; T228-L230 PolarHBondContact O-N 3.2Å; T228-A231 HydrophobicContact CG2-CB 4.24Å
229T31.5Very low54.7Low129 Ų12991 Ų9179%0.79155%0.551SS**THydrogen-bonded Turntrans-16104149.144.90000112.2A231T229-A231 WeakPolarHBondContact O-CA 3.37Å; T229-A231 WeakPolarHBondContact O-CB 3.42Å; T229-A231 PolarHBondContact O-N 2.86Å
230L40.1Very low56.4Low124 Ų12489 Ų8965%0.64953%0.529SS*.THydrogen-bonded Turntrans20.155.8165.8-101.5148.9000113.2T228 G232 P246T228-L230 PolarHBondContact O-N 3.2Å; L230-G232 PolarHBondContact O-N 3.45Å; L230-P246 HydrophobicContact CD2-CB 3.9Å; L230-P246 HydrophobicContact CD2-CG 3.46Å; L230-P246 VanDerWaalsContact CD2-CG 3.46Å
231A47.9Very low58.3Low65 Ų6587.2 Ų87.254%0.53752%0.52SS..  trans-80.1107.5-162.100000105.5T228 T229T228-A231 HydrophobicContact CG2-CB 4.24Å; T229-A231 WeakPolarHBondContact O-CA 3.37Å; T229-A231 WeakPolarHBondContact O-CB 3.42Å; T229-A231 PolarHBondContact O-N 2.86Å
232G60.1Low60.7Low34 Ų3478.4 Ų78.435%0.35148%0.479SS..  trans-47.6144.4177.700000110.7L230 R234 F244L230-G232 PolarHBondContact O-N 3.45Å; G232-R234 PolarHBondContact O-N 2.97Å; G232-R234 VanDerWaalsContact O-N 3.16Å; G232-F244 CarbonylContact C-O 3.58Å; G232-F244 WeakPolarHBondContact CA-O 3.21Å
233V82.8Confident63.6Low39 Ų3976.2 Ų76.224%0.23646%0.462CS..EExtended strand (participates in β ladder)trans-69.1118.2178.3177.20000107.5F235 T243 F244 W251V233-F235 HydrophobicContact CG1-CD2 4.09Å; V233-F235 HydrophobicContact CG1-CE2 3.38Å; V233-F235 HydrophobicContact CG1-CZ 3.81Å; V233-T243 CarbonylContact O-C 3.53Å; V233-T243 WeakPolarHBondContact O-CA 3.28Å; V233-F244 HydrophobicContact CB-CB 4.02Å; V233-F244 PolarHBondContact N-O 3.17Å; V233-F244 PolarHBondContact O-N 3.45Å; V233-W251 HydrophobicContact CB-CH2 4.46Å; V233-W251 HydrophobicContact CG1-CH2 4.24Å
234R89.9Confident66.7Low170 Ų17074.5 Ų74.564%0.64244%0.439SS*.EExtended strand (participates in β ladder)trans-118.8126.3-179.5-177.4170.2-178.2167.50.8110.3G232 E236 V242 T243G232-R234 PolarHBondContact O-N 2.97Å; G232-R234 VanDerWaalsContact O-N 3.16Å; R234-E236 HydrophobicContact CG-CG 4.37Å; R234-E236 IonicContact CZ-OE1 3.66Å; R234-E236 IonicContact NE-OE1 3.6Å; R234-E236 PolarHBondContact NE-OE1 2.82Å; R234-E236 IonicContact NH2-OE1 2.64Å; R234-E236 PolarHBondContact NH2-OE1 2.87Å; R234-V242 CarbonylContact C-O 3.55Å; R234-V242 WeakPolarHBondContact CA-O 3.46Å; R234-T243 HydrophobicContact CB-CG2 4.01Å; R234-T243 HydrophobicContact CG-CG2 3.74Å
235F91.2Very high69.5Low62 Ų6272.8 Ų72.827%0.27242%0.416SS..EExtended strand (participates in β ladder)trans-109130.1167.4-63.2-79.8000108.3V233 A241 V242 W251 T397 C401V233-F235 HydrophobicContact CG1-CD2 4.09Å; V233-F235 HydrophobicContact CG1-CE2 3.38Å; V233-F235 HydrophobicContact CG1-CZ 3.81Å; F235-A241 CarbonylContact O-C 3.48Å; F235-A241 WeakPolarHBondContact O-CA 3.35Å; F235-V242 PolarHBondContact N-O 2.64Å; F235-V242 PolarHBondContact O-N 3.43Å; F235-W251 HydrophobicContact CD2-CZ3 4.32Å; F235-W251 HydrophobicContact CE2-CH2 4.08Å; F235-W251 HydrophobicContact CE2-CZ3 4.25Å; F235-T397 HydrophobicContact CB-CG2 3.89Å; F235-T397 HydrophobicContact CD1-CG2 4.17Å; F235-T397 HydrophobicContact CD2-CG2 3.84Å; F235-T397 HydrophobicContact CE2-CG2 4.41Å; F235-T397 HydrophobicContact CG-CG2 3.69Å; F235-C401 HydrophobicContact CE2-CB 3.73Å; F235-C401 HydrophobicContact CZ-CB 3.82Å
236E90.6Very high71.8Confident90 Ų9069.6 Ų69.642%0.42140%0.398SS..EExtended strand (participates in β ladder)trans-115.198.7173.9-79-67.3156.800107.7R234 A241 K256R234-E236 HydrophobicContact CG-CG 4.37Å; R234-E236 IonicContact CZ-OE1 3.66Å; R234-E236 IonicContact NE-OE1 3.6Å; R234-E236 PolarHBondContact NE-OE1 2.82Å; R234-E236 IonicContact NH2-OE1 2.64Å; R234-E236 PolarHBondContact NH2-OE1 2.87Å; E236-A241 VanDerWaalsContact OE1-CB 3.24Å; E236-A241 WeakPolarHBondContact OE1-CB 3.47Å; E236-K256 WeakPolarHBondContact OE2-CE 3.11Å; E236-K256 IonicContact OE2-NZ 3.77Å; E236-K256 PolarHBondContact OE2-NZ 3.01Å
237E90.1Very high74.1Confident65 Ų6570 Ų7030%0.30440%0.396SS..  trans-94.2173176.4-60.1-62.8167.600110D239 F240 K256E237-D239 VanDerWaalsContact C-N 3.28Å; E237-D239 PolarHBondContact O-N 3.39Å; E237-F240 CarbonylContact C-O 3.56Å; E237-F240 WeakPolarHBondContact CA-O 3.31Å; E237-F240 HydrophobicContact CB-CD1 4.02Å; E237-F240 HydrophobicContact CB-CD2 4.27Å; E237-F240 HydrophobicContact CB-CE1 3.77Å; E237-F240 HydrophobicContact CB-CE2 4.08Å; E237-F240 HydrophobicContact CB-CG 4.27Å; E237-F240 HydrophobicContact CB-CZ 3.85Å; E237-F240 WeakPolarHBondContact CB-O 3.25Å; E237-F240 HydrophobicContact CG-CD2 4.25Å; E237-F240 HydrophobicContact CG-CE1 3.94Å; E237-F240 HydrophobicContact CG-CE2 3.64Å; E237-F240 HydrophobicContact CG-CZ 3.48Å; E237-F240 VanDerWaalsContact CG-CZ 3.48Å; E237-F240 PolarHBondContact N-O 2.64Å; E237-F240 VanDerWaalsContact O-O 3.08Å; E237-K256 PolarHBondContact O-NZ 3.18Å
238K86.1Confident76.6Confident134 Ų13467.6 Ų67.658%0.58338%0.377SS*.SBendtrans-61.6-38-176.8-175177173.3-165.50112.7K256 Y327K238-K256 VanDerWaalsContact O-CD 3.28Å; K238-K256 WeakPolarHBondContact O-CD 3.48Å; K238-Y327 HydrophobicContact CB-CG 4.49Å; K238-Y327 HydrophobicContact CD-CD2 3.82Å; K238-Y327 HydrophobicContact CD-CE2 4.45Å; K238-Y327 HydrophobicContact CD-CG 3.88Å
239D88.7Confident78.9Confident7 Ų773.4 Ų73.44%0.03739%0.388CS..SBendtrans-114.2-8.9-168.450.9-16.9000113.4E237 K256 E325 T326 Y327 L393E237-D239 VanDerWaalsContact C-N 3.28Å; E237-D239 PolarHBondContact O-N 3.39Å; D239-K256 PolarHBondContact O-N 3.45Å; D239-E325 WeakPolarHBondContact CB-O 3.5Å; D239-T326 VanDerWaalsContact OD2-CA 3.3Å; D239-T326 WeakPolarHBondContact OD2-CA 3.41Å; D239-Y327 PolarHBondContact OD2-N 2.95Å; D239-L393 VanDerWaalsContact OD2-CD1 3.22Å; D239-L393 WeakPolarHBondContact OD2-CD1 3.14Å
240F93.3Very high81.5Confident4 Ų468.2 Ų68.22%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-156.5169.4175.863.3-85.2000112.9E237 V242 A254 V390 L393 V394E237-F240 CarbonylContact C-O 3.56Å; E237-F240 WeakPolarHBondContact CA-O 3.31Å; E237-F240 HydrophobicContact CB-CD1 4.02Å; E237-F240 HydrophobicContact CB-CD2 4.27Å; E237-F240 HydrophobicContact CB-CE1 3.77Å; E237-F240 HydrophobicContact CB-CE2 4.08Å; E237-F240 HydrophobicContact CB-CG 4.27Å; E237-F240 HydrophobicContact CB-CZ 3.85Å; E237-F240 WeakPolarHBondContact CB-O 3.25Å; E237-F240 HydrophobicContact CG-CD2 4.25Å; E237-F240 HydrophobicContact CG-CE1 3.94Å; E237-F240 HydrophobicContact CG-CE2 3.64Å; E237-F240 HydrophobicContact CG-CZ 3.48Å; E237-F240 VanDerWaalsContact CG-CZ 3.48Å; E237-F240 PolarHBondContact N-O 2.64Å; E237-F240 VanDerWaalsContact O-O 3.08Å; F240-V242 HydrophobicContact CD2-CG2 3.54Å; F240-V242 HydrophobicContact CE2-CG2 3.58Å; F240-A254 CarbonylContact C-O 3.53Å; F240-A254 WeakPolarHBondContact CA-O 3.32Å; F240-A254 WeakPolarHBondContact CB-O 3.46Å; F240-V390 HydrophobicContact CB-CG2 3.88Å; F240-V390 HydrophobicContact CD1-CG2 3.38Å; F240-V390 HydrophobicContact CE1-CG2 4.22Å; F240-V390 HydrophobicContact CG-CG2 3.9Å; F240-L393 HydrophobicContact CD1-CB 4.4Å; F240-L393 HydrophobicContact CE1-CB 3.51Å; F240-L393 HydrophobicContact CE1-CD1 4.41Å; F240-L393 HydrophobicContact CZ-CB 3.96Å; F240-V394 HydrophobicContact CB-CG2 4.3Å; F240-V394 HydrophobicContact CD1-CG2 4.28Å; F240-V394 HydrophobicContact CD2-CG2 3.63Å; F240-V394 HydrophobicContact CE2-CB 4.44Å; F240-V394 HydrophobicContact CE2-CG2 3.92Å; F240-V394 HydrophobicContact CG-CG2 3.81Å; F240-V394 HydrophobicContact CZ-CG2 4.36Å
241A93.6Very high84Confident12 Ų1263.7 Ų63.710%0.09933%0.332CS..EExtended strand (participates in β ladder)trans-124.8145166.300000109F235 E236 A253 A254F235-A241 CarbonylContact O-C 3.48Å; F235-A241 WeakPolarHBondContact O-CA 3.35Å; E236-A241 VanDerWaalsContact OE1-CB 3.24Å; E236-A241 WeakPolarHBondContact OE1-CB 3.47Å; A241-A253 CarbonylContact O-C 3.45Å; A241-A253 WeakPolarHBondContact O-CA 3.2Å; A241-A254 PolarHBondContact N-O 3.08Å; A241-A254 PolarHBondContact O-N 3.32Å
242V94.2Very high86.1Confident0 Ų062.1 Ų62.10%032%0.315CS..EExtended strand (participates in β ladder)trans-130.2132.1173.3-178.20000109.1R234 F235 F240 W251 T252 A253 V394 V398R234-V242 CarbonylContact C-O 3.55Å; R234-V242 WeakPolarHBondContact CA-O 3.46Å; F235-V242 PolarHBondContact N-O 2.64Å; F235-V242 PolarHBondContact O-N 3.43Å; F240-V242 HydrophobicContact CD2-CG2 3.54Å; F240-V242 HydrophobicContact CE2-CG2 3.58Å; V242-W251 HydrophobicContact CG1-CD2 4.37Å; V242-W251 HydrophobicContact CG1-CE3 3.36Å; V242-W251 HydrophobicContact CG1-CZ3 3.74Å; V242-T252 CarbonylContact C-O 3.5Å; V242-T252 WeakPolarHBondContact CA-O 3.47Å; V242-A253 HydrophobicContact CG2-CB 4.22Å; V242-V394 HydrophobicContact CG2-CB 4.47Å; V242-V394 HydrophobicContact CG2-CG1 3.91Å; V242-V394 HydrophobicContact CG2-CG2 4.32Å; V242-V398 HydrophobicContact CG1-CG2 3.78Å
243T94Very high87.8Confident52 Ų5260.6 Ų60.632%0.31930%0.299SS..EExtended strand (participates in β ladder)trans-122.4142177.354.60000110.9V233 R234 W251 T252V233-T243 CarbonylContact O-C 3.53Å; V233-T243 WeakPolarHBondContact O-CA 3.28Å; R234-T243 HydrophobicContact CB-CG2 4.01Å; R234-T243 HydrophobicContact CG-CG2 3.74Å; T243-W251 CarbonylContact O-C 3.46Å; T243-W251 VanDerWaalsContact O-CA 3.31Å; T243-W251 WeakPolarHBondContact O-CA 3.24Å; T243-T252 PolarHBondContact N-O 3.12Å; T243-T252 PolarHBondContact O-N 3.36Å; T243-T252 PolarHBondContact OG1-O 2.89Å
244F92.9Very high88.3Confident48 Ų4860 Ų6021%0.21130%0.299CS..EExtended strand (participates in β ladder)trans-107.6120168.1-177.9-109.4000109.1G232 V233 P246 W251G232-F244 CarbonylContact C-O 3.58Å; G232-F244 WeakPolarHBondContact CA-O 3.21Å; V233-F244 HydrophobicContact CB-CB 4.02Å; V233-F244 PolarHBondContact N-O 3.17Å; V233-F244 PolarHBondContact O-N 3.45Å; F244-P246 HydrophobicContact CE1-CB 4.24Å; F244-P246 VanDerWaalsContact O-CD 3.31Å; F244-P246 WeakPolarHBondContact O-CD 3.37Å; F244-W251 HydrophobicContact CB-CD2 3.9Å; F244-W251 HydrophobicContact CB-CE3 3.62Å; F244-W251 HydrophobicContact CB-CH2 3.83Å; F244-W251 HydrophobicContact CB-CZ2 4.04Å; F244-W251 HydrophobicContact CB-CZ3 3.62Å; F244-W251 AromaticContact CD2-CD1 3.83Å; F244-W251 AromaticContact CD2-CD2 3.75Å; F244-W251 HydrophobicContact CD2-CD2 3.75Å; F244-W251 AromaticContact CD2-CE2 3.6Å; F244-W251 HydrophobicContact CD2-CE3 4.36Å; F244-W251 AromaticContact CD2-CG 3.94Å; F244-W251 HydrophobicContact CD2-CG 3.94Å; F244-W251 HydrophobicContact CD2-CZ2 4.16Å; F244-W251 AromaticContact CD2-NE1 3.6Å; F244-W251 HydrophobicContact CG-CD2 4.26Å; F244-W251 HydrophobicContact CG-CE3 4.46Å; F244-W251 HydrophobicContact CG-CZ2 4.25Å
245D83.3Confident88.4Confident68 Ų6852.5 Ų52.536%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-87.4111.5169.8-178.6-8000109.3V247 A248 R249 S250D245-V247 PolarHBondContact O-N 2.83Å; D245-V247 WeakPolarHBondContact OD1-CA 3.47Å; D245-V247 WeakPolarHBondContact OD1-CB 3.36Å; D245-V247 PolarHBondContact OD1-N 3.09Å; D245-A248 HydrophobicContact CB-CB 4.03Å; D245-A248 PolarHBondContact OD1-N 3.46Å; D245-A248 VanDerWaalsContact OD2-CB 3.29Å; D245-A248 WeakPolarHBondContact OD2-CB 3.48Å; D245-R249 VanDerWaalsContact O-CA 3.27Å; D245-R249 WeakPolarHBondContact O-CA 3.42Å; D245-R249 PolarHBondContact O-N 3.39Å; D245-S250 PolarHBondContact N-O 3.07Å; D245-S250 PolarHBondContact O-N 3.47Å
246P75.2Confident88.5Confident50 Ų5053 Ų5333%0.32527%0.273SS..THydrogen-bonded Turntrans-67.8-22.5178.328.5-35.2000113.6L230 F244L230-P246 HydrophobicContact CD2-CB 3.9Å; L230-P246 HydrophobicContact CD2-CG 3.46Å; L230-P246 VanDerWaalsContact CD2-CG 3.46Å; F244-P246 HydrophobicContact CE1-CB 4.24Å; F244-P246 VanDerWaalsContact O-CD 3.31Å; F244-P246 WeakPolarHBondContact O-CD 3.37Å
247V73.6Confident88.4Confident117 Ų11750.5 Ų50.571%0.70926%0.259SS*.THydrogen-bonded Turntrans-79.2-50177.8-177.50000110.2D245 R249D245-V247 PolarHBondContact O-N 2.83Å; D245-V247 WeakPolarHBondContact OD1-CA 3.47Å; D245-V247 WeakPolarHBondContact OD1-CB 3.36Å; D245-V247 PolarHBondContact OD1-N 3.09Å; V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3.37Å
248A76.5Confident88Confident59 Ų5948.6 Ų48.649%0.48825%0.253SS..THydrogen-bonded Turntrans-77.2-14177.200000113.7D245 S250D245-A248 HydrophobicContact CB-CB 4.03Å; D245-A248 PolarHBondContact OD1-N 3.46Å; D245-A248 VanDerWaalsContact OD2-CB 3.29Å; D245-A248 WeakPolarHBondContact OD2-CB 3.48Å; A248-S250 WeakPolarHBondContact CB-OG 3.49Å; A248-S250 PolarHBondContact O-N 2.84Å
249R82.4Confident87.6Confident213 Ų21349.6 Ų49.680%0.80427%0.265SS*.THydrogen-bonded Turntrans55.236.3-173.8-58.9178.664.5163.91112.7D245 V247D245-R249 VanDerWaalsContact O-CA 3.27Å; D245-R249 WeakPolarHBondContact O-CA 3.42Å; D245-R249 PolarHBondContact O-N 3.39Å; V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3.37Å
250S85.3Confident87Confident20 Ų2052.2 Ų52.214%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-127.3143-174.557.80000112.1D245 A248D245-S250 PolarHBondContact N-O 3.07Å; D245-S250 PolarHBondContact O-N 3.47Å; A248-S250 WeakPolarHBondContact CB-OG 3.49Å; A248-S250 PolarHBondContact O-N 2.84Å
251W93.4Very high86.3Confident28 Ų2859 Ų5911%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-88.7135.5167.7-71.299.1000110.1V233 F235 V242 T243 F244 V360 H361 V398 C401 V402V233-W251 HydrophobicContact CB-CH2 4.46Å; V233-W251 HydrophobicContact CG1-CH2 4.24Å; F235-W251 HydrophobicContact CD2-CZ3 4.32Å; F235-W251 HydrophobicContact CE2-CH2 4.08Å; F235-W251 HydrophobicContact CE2-CZ3 4.25Å; V242-W251 HydrophobicContact CG1-CD2 4.37Å; V242-W251 HydrophobicContact CG1-CE3 3.36Å; V242-W251 HydrophobicContact CG1-CZ3 3.74Å; T243-W251 CarbonylContact O-C 3.46Å; T243-W251 VanDerWaalsContact O-CA 3.31Å; T243-W251 WeakPolarHBondContact O-CA 3.24Å; F244-W251 HydrophobicContact CB-CD2 3.9Å; F244-W251 HydrophobicContact CB-CE3 3.62Å; F244-W251 HydrophobicContact CB-CH2 3.83Å; F244-W251 HydrophobicContact CB-CZ2 4.04Å; F244-W251 HydrophobicContact CB-CZ3 3.62Å; F244-W251 AromaticContact CD2-CD1 3.83Å; F244-W251 AromaticContact CD2-CD2 3.75Å; F244-W251 HydrophobicContact CD2-CD2 3.75Å; F244-W251 AromaticContact CD2-CE2 3.6Å; F244-W251 HydrophobicContact CD2-CE3 4.36Å; F244-W251 AromaticContact CD2-CG 3.94Å; F244-W251 HydrophobicContact CD2-CG 3.94Å; F244-W251 HydrophobicContact CD2-CZ2 4.16Å; F244-W251 AromaticContact CD2-NE1 3.6Å; F244-W251 HydrophobicContact CG-CD2 4.26Å; F244-W251 HydrophobicContact CG-CE3 4.46Å; F244-W251 HydrophobicContact CG-CZ2 4.25Å; W251-V360 HydrophobicContact CB-CG1 4.2Å; W251-H361 WeakPolarHBondContact O-CB 3.25Å; W251-H361 PolarHBondContact O-N 2.97Å; W251-V398 HydrophobicContact CD2-CG1 4.06Å; W251-V398 HydrophobicContact CD2-CG2 4.04Å; W251-V398 HydrophobicContact CE3-CG2 4.11Å; W251-V398 HydrophobicContact CG-CG1 4.07Å; W251-V398 HydrophobicContact CG-CG2 4.28Å; W251-V398 HydrophobicContact CZ2-CG1 4.42Å; W251-C401 HydrophobicContact CH2-CB 3.99Å; W251-C401 HydrophobicContact CZ2-CB 4.29Å; W251-V402 HydrophobicContact CZ2-CG2 4.14Å
252T91.6Very high85.9Confident32 Ų3266.5 Ų66.520%0.19635%0.351CS..EExtended strand (participates in β ladder)trans-125.3124.6175.4-56.70000109.7V242 T243 H361 D363V242-T252 CarbonylContact C-O 3.5Å; V242-T252 WeakPolarHBondContact CA-O 3.47Å; T243-T252 PolarHBondContact N-O 3.12Å; T243-T252 PolarHBondContact O-N 3.36Å; T243-T252 PolarHBondContact OG1-O 2.89Å; T252-H361 CarbonylContact C-O 3.53Å; T252-H361 WeakPolarHBondContact CA-O 3.49Å; T252-H361 HydrophobicContact CG2-CB 4.41Å; T252-D363 HydrophobicContact CG2-CB 4.26Å
253A94.8Very high85.4Confident2 Ų267.2 Ų67.22%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-105.5143177.700000111.5A241 V242 V360 H361 V362 D363 V394A241-A253 CarbonylContact O-C 3.45Å; A241-A253 WeakPolarHBondContact O-CA 3.2Å; V242-A253 HydrophobicContact CG2-CB 4.22Å; A253-V360 HydrophobicContact CB-CG1 3.94Å; A253-H361 PolarHBondContact N-O 3.45Å; A253-V362 WeakPolarHBondContact O-CA 3.19Å; A253-D363 PolarHBondContact O-N 3.37Å; A253-V394 HydrophobicContact CB-CG1 3.75Å; A253-V394 HydrophobicContact CB-CG2 4.19Å
254A94.1Very high84.8Confident27 Ų2768.9 Ų68.922%0.22338%0.375CS..EExtended strand (participates in β ladder)trans-132.5121.7171.900000109.2F240 A241 D363 L366F240-A254 CarbonylContact C-O 3.53Å; F240-A254 WeakPolarHBondContact CA-O 3.32Å; F240-A254 WeakPolarHBondContact CB-O 3.46Å; A241-A254 PolarHBondContact N-O 3.08Å; A241-A254 PolarHBondContact O-N 3.32Å; A254-D363 HydrophobicContact CB-CB 3.84Å; A254-L366 HydrophobicContact CB-CD1 3.98Å
255W92.4Very high84.4Confident12 Ų1270.7 Ų70.75%0.04539%0.39CS..EExtended strand (participates in β ladder)trans-83157.1174.160.684.1000111.5W257 L320 I324 V362 L366 Q370 L388 V390W255-W257 AromaticContact NE1-CH2 3.45Å; W255-W257 AromaticContact NE1-CZ2 3.64Å; W255-W257 AromaticContact NE1-CZ3 3.69Å; W255-L320 HydrophobicContact CZ2-CD2 4.14Å; W255-I324 HydrophobicContact CB-CD1 4.47Å; W255-I324 HydrophobicContact CB-CG2 4.26Å; W255-I324 VanDerWaalsContact CD1-CD1 3.49Å; W255-I324 HydrophobicContact CD2-CD1 4.02Å; W255-I324 HydrophobicContact CG-CD1 3.76Å; W255-I324 HydrophobicContact CG-CG1 4.23Å; W255-V362 HydrophobicContact CE3-CG1 4.48Å; W255-V362 HydrophobicContact CH2-CG1 3.93Å; W255-V362 HydrophobicContact CZ3-CG1 3.55Å; W255-V362 HydrophobicContact CZ3-CG2 4.19Å; W255-L366 HydrophobicContact CD2-CD1 3.65Å; W255-L366 HydrophobicContact CD2-CD2 4.39Å; W255-L366 HydrophobicContact CD2-CG 4.48Å; W255-L366 HydrophobicContact CE3-CD1 3.68Å; W255-L366 HydrophobicContact CG-CD1 4.22Å; W255-L366 HydrophobicContact CH2-CB 3.57Å; W255-L366 HydrophobicContact CH2-CD1 4.06Å; W255-L366 HydrophobicContact CH2-CG 4.28Å; W255-L366 HydrophobicContact CZ2-CB 3.65Å; W255-L366 HydrophobicContact CZ2-CD1 4.03Å; W255-L366 HydrophobicContact CZ2-CD2 3.89Å; W255-L366 HydrophobicContact CZ2-CG 4.06Å; W255-L366 HydrophobicContact CZ3-CB 4.12Å; W255-L366 HydrophobicContact CZ3-CD1 3.89Å; W255-Q370 HydrophobicContact CH2-CG 3.85Å; W255-L388 HydrophobicContact CD2-CD2 4.46Å; W255-L388 HydrophobicContact CE3-CD2 3.71Å; W255-L388 HydrophobicContact CZ3-CD2 3.8Å; W255-V390 HydrophobicContact CB-CG1 4.12Å
256K91.7Very high84.4Confident73 Ų7367.5 Ų67.532%0.31737%0.373SS..PPolyproline II helixtrans-99.5141.6174.7-64.2171.9178.7175.50108.4E236 E237 K238 D239E236-K256 WeakPolarHBondContact OE2-CE 3.11Å; E236-K256 IonicContact OE2-NZ 3.77Å; E236-K256 PolarHBondContact OE2-NZ 3.01Å; E237-K256 PolarHBondContact O-NZ 3.18Å; K238-K256 VanDerWaalsContact O-CD 3.28Å; K238-K256 WeakPolarHBondContact O-CD 3.48Å; D239-K256 PolarHBondContact O-N 3.45Å
257W90Very high84.8Confident38 Ų3873.1 Ų73.114%0.14439%0.392CS..PPolyproline II helixtrans-78145.1179.1-58.7103.7000110.6W255 D259 G260 E261 R262 P263 L320 H323 L366 Y369W255-W257 AromaticContact NE1-CH2 3.45Å; W255-W257 AromaticContact NE1-CZ2 3.64Å; W255-W257 AromaticContact NE1-CZ3 3.69Å; W257-D259 PolarHBondContact O-N 3.48Å; W257-G260 PolarHBondContact O-N 3.13Å; W257-E261 WeakPolarHBondContact CB-O 3.39Å; W257-R262 HydrophobicContact CD2-CB 4.22Å; W257-R262 HydrophobicContact CG-CB 4.1Å; W257-P263 HydrophobicContact CE3-CG 4.06Å; W257-P263 HydrophobicContact CH2-CG 4.06Å; W257-P263 VanDerWaalsContact CZ3-CD 3.43Å; W257-P263 HydrophobicContact CZ3-CG 3.66Å; W257-L320 HydrophobicContact CH2-CD1 3.87Å; W257-L320 HydrophobicContact CZ3-CD1 3.67Å; W257-H323 HydrophobicContact CE3-CB 4Å; W257-H323 HydrophobicContact CZ3-CB 4.1Å; W257-L366 HydrophobicContact CZ2-CD2 3.7Å; W257-Y369 AromaticContact CH2-CD1 3.75Å; W257-Y369 HydrophobicContact CH2-CD1 3.75Å; W257-Y369 AromaticContact CH2-CD2 3.76Å; W257-Y369 HydrophobicContact CH2-CD2 3.76Å; W257-Y369 AromaticContact CH2-CE1 3.9Å; W257-Y369 HydrophobicContact CH2-CE1 3.9Å; W257-Y369 AromaticContact CH2-CE2 3.9Å; W257-Y369 HydrophobicContact CH2-CE2 3.9Å; W257-Y369 AromaticContact CH2-CG 3.67Å; W257-Y369 HydrophobicContact CH2-CG 3.67Å; W257-Y369 AromaticContact CH2-CZ 3.96Å; W257-Y369 HydrophobicContact CZ2-CD1 4.37Å; W257-Y369 AromaticContact CZ2-CD2 3.72Å; W257-Y369 HydrophobicContact CZ2-CD2 3.72Å; W257-Y369 HydrophobicContact CZ2-CE1 4.23Å; W257-Y369 AromaticContact CZ2-CE2 3.53Å; W257-Y369 HydrophobicContact CZ2-CE2 3.53Å; W257-Y369 HydrophobicContact CZ2-CG 4.13Å; W257-Y369 AromaticContact CZ2-CZ 3.79Å
258S80.3Confident85.2Confident25 Ų2568.8 Ų68.818%0.17537%0.365CS..G310 helixtrans-53.8134.1167.2-550000109.4G260 E261 H323 I324 E325S258-G260 PolarHBondContact O-N 3.48Å; S258-E261 PolarHBondContact O-N 3.37Å; S258-H323 PolarHBondContact N-O 2.53Å; S258-H323 PolarHBondContact OG-O 3.27Å; S258-I324 PolarHBondContact OG-N 2.66Å; S258-E325 PolarHBondContact OG-N 3.22Å
259D77.8Confident85.2Confident154 Ų15474.4 Ų74.482%0.82438%0.375SS*.G310 helixtrans628.2-177.1-49-44.7000115.6W257 E261W257-D259 PolarHBondContact O-N 3.48Å; D259-E261 PolarHBondContact O-N 3.11Å
260G77.5Confident85Confident63 Ų6366.9 Ų66.965%0.64935%0.352SS*.G310 helixtrans75.6-1.1-176.400000114.5W257 S258W257-G260 PolarHBondContact O-N 3.13Å; S258-G260 PolarHBondContact O-N 3.48Å
261E77.9Confident84.6Confident145 Ų14571.3 Ų71.368%0.67837%0.369SS*.  trans-100115.2-174.5-73.5-62.415400111.8W257 S258 D259W257-E261 WeakPolarHBondContact CB-O 3.39Å; S258-E261 PolarHBondContact O-N 3.37Å; D259-E261 PolarHBondContact O-N 3.11Å
262R84.3Confident83.7Confident170 Ų17072.9 Ų72.964%0.64238%0.377SS*.  trans-71.7134176.867-173.3-179.5177-1.7110.6W257 A264W257-R262 HydrophobicContact CD2-CB 4.22Å; W257-R262 HydrophobicContact CG-CB 4.1Å; R262-A264 PolarHBondContact O-N 3.03Å
263P84.7Confident82.9Confident16 Ų1675.1 Ų75.110%0.10438%0.383CS..  trans-65.1136.117223.7-27.7000109.7W257 L266 H323 Y369W257-P263 HydrophobicContact CE3-CG 4.06Å; W257-P263 HydrophobicContact CH2-CG 4.06Å; W257-P263 VanDerWaalsContact CZ3-CD 3.43Å; W257-P263 HydrophobicContact CZ3-CG 3.66Å; P263-L266 HydrophobicContact CB-CD2 4.28Å; P263-L266 HydrophobicContact CG-CD2 3.96Å; P263-H323 HydrophobicContact CG-CB 4.36Å; P263-Y369 HydrophobicContact CG-CD1 4.36Å; P263-Y369 HydrophobicContact CG-CE1 3.81Å; P263-Y369 VanDerWaalsContact O-CE1 3.29Å; P263-Y369 WeakPolarHBondContact O-CE1 3.48Å; P263-Y369 PolarHBondContact O-OH 3Å
264A81.5Confident81.7Confident87 Ų8780.7 Ų80.772%0.71942%0.422SS*.SBendtrans-62.9-47.8176.900000110.8R262R262-A264 PolarHBondContact O-N 3.03Å
265V84.1Confident80.4Confident85 Ų8580.6 Ų80.652%0.51542%0.419SS..SBendtrans-147.9142.5176.71770000108.6K295V265-K295 CarbonylContact C-O 3.46Å; V265-K295 WeakPolarHBondContact CA-O 3.4Å; V265-K295 WeakPolarHBondContact CG1-O 3.45Å
266L83.8Confident79.2Confident1 Ų183.7 Ų83.71%0.00544%0.439CS..  trans-76.4139.6168.2-55.9-178.4000109.7P263 N268 K295 I298 E319 L320 Y369P263-L266 HydrophobicContact CB-CD2 4.28Å; P263-L266 HydrophobicContact CG-CD2 3.96Å; L266-N268 VanDerWaalsContact C-N 3.27Å; L266-N268 PolarHBondContact O-N 2.74Å; L266-K295 PolarHBondContact N-O 2.87Å; L266-I298 HydrophobicContact CD1-CD1 3.88Å; L266-E319 HydrophobicContact CD2-CG 4.38Å; L266-L320 HydrophobicContact CD1-CB 4.2Å; L266-L320 HydrophobicContact CD1-CD1 4.32Å; L266-Y369 HydrophobicContact CD2-CD1 4.41Å; L266-Y369 HydrophobicContact CG-CD1 4.22Å
267K84.2Confident78.2Confident169 Ų16984.8 Ų84.874%0.73546%0.462SS*.SBendtrans-74.4-11.6-176.7-57.7176.1-178.8174.80113.4Y269 E319K267-Y269 WeakPolarHBondContact O-CD2 3.19Å; K267-Y269 WeakPolarHBondContact O-CE2 3.29Å; K267-Y269 PolarHBondContact O-N 2.93Å; K267-E319 WeakPolarHBondContact CA-OE1 3.36Å; K267-E319 VanDerWaalsContact CB-OE1 3.25Å; K267-E319 WeakPolarHBondContact CB-OE1 3.36Å; K267-E319 VanDerWaalsContact N-CD 3.31Å; K267-E319 PolarHBondContact N-OE1 2.81Å; K267-E319 PolarHBondContact N-OE2 2.88Å
268N80Confident77.3Confident25 Ų2589.6 Ų89.613%0.13448%0.48CS..  trans-73.2118.7176.6-166.5-11.8000111.2L266 V270 P299 E319L266-N268 VanDerWaalsContact C-N 3.27Å; L266-N268 PolarHBondContact O-N 2.74Å; N268-V270 VanDerWaalsContact OD1-CB 3.28Å; N268-V270 WeakPolarHBondContact OD1-CB 3.28Å; N268-V270 WeakPolarHBondContact OD1-CG2 3.36Å; N268-V270 PolarHBondContact OD1-N 3.29Å; N268-P299 WeakPolarHBondContact ND2-CD 3.29Å; N268-P299 VanDerWaalsContact ND2-CG 3.27Å; N268-P299 WeakPolarHBondContact ND2-CG 3.32Å; N268-E319 WeakPolarHBondContact CB-OE2 3.34Å; N268-E319 PolarHBondContact N-OE2 2.99Å
269Y76.9Confident76.7Confident177 Ų17788.4 Ų88.469%0.69447%0.472SS*.  trans-109.71.9176.5-60.3-79.9000112.9K267 K271K267-Y269 WeakPolarHBondContact O-CD2 3.19Å; K267-Y269 WeakPolarHBondContact O-CE2 3.29Å; K267-Y269 PolarHBondContact O-N 2.93Å; Y269-K271 PolarHBondContact O-N 3.03Å
270V78.4Confident76.2Confident56 Ų5683.2 Ų83.234%0.33945%0.445SS..  trans-66.8124.4176.4-178.20000107.8N268 Y273 P299N268-V270 VanDerWaalsContact OD1-CB 3.28Å; N268-V270 WeakPolarHBondContact OD1-CB 3.28Å; N268-V270 WeakPolarHBondContact OD1-CG2 3.36Å; N268-V270 PolarHBondContact OD1-N 3.29Å; V270-Y273 HydrophobicContact CG1-CD1 4.34Å; V270-Y273 HydrophobicContact CG1-CD2 4.47Å; V270-Y273 HydrophobicContact CG1-CE1 4.18Å; V270-Y273 HydrophobicContact CG1-CE2 4.39Å; V270-Y273 HydrophobicContact CG1-CG 4.49Å; V270-P299 HydrophobicContact CB-CB 4.06Å; V270-P299 HydrophobicContact CB-CG 4.05Å; V270-P299 HydrophobicContact CG1-CB 3.87Å; V270-P299 HydrophobicContact CG1-CG 4.28Å; V270-P299 WeakPolarHBondContact O-CB 3.35Å
271K76.7Confident75.7Confident113 Ų11383.2 Ų83.249%0.49144%0.439SS..  trans-76.3-51.8179.9-63179.4176.9-155.60111Y269 L297 E373Y269-K271 PolarHBondContact O-N 3.03Å; K271-L297 HydrophobicContact CG-CD1 4.39Å; K271-E373 CarbonylContact C-O 3.53Å; K271-E373 HydrophobicContact CB-CB 4.08Å; K271-E373 HydrophobicContact CB-CG 4.46Å; K271-E373 HydrophobicContact CD-CG 4.31Å; K271-E373 WeakPolarHBondContact CD-OE1 3.32Å; K271-E373 WeakPolarHBondContact CE-OE1 3.41Å; K271-E373 HydrophobicContact CG-CB 4.2Å; K271-E373 HydrophobicContact CG-CG 4.32Å; K271-E373 IonicContact NZ-OE1 3.55Å; K271-E373 PolarHBondContact NZ-OE1 3.36Å; K271-E373 VanDerWaalsContact O-O 3.13Å
272E75Confident74.9Confident60 Ų6079.8 Ų79.828%0.2842%0.423SS..BIsolated β-bridgetrans-153.7142.7-176.8-170.7-178.2155.400108.5Y283E272-Y283 WeakPolarHBondContact CG-OH 3.39Å; E272-Y283 VanDerWaalsContact OE1-CE1 3.23Å; E272-Y283 WeakPolarHBondContact OE1-CE1 3.35Å; E272-Y283 PolarHBondContact OE1-OH 2.89Å
273Y75.8Confident73.9Confident80 Ų8071.8 Ų71.831%0.31439%0.393SS..  trans-85.7124167.4-69.5-81000109V270 P275 P299 L300 M301 D316 R318V270-Y273 HydrophobicContact CG1-CD1 4.34Å; V270-Y273 HydrophobicContact CG1-CD2 4.47Å; V270-Y273 HydrophobicContact CG1-CE1 4.18Å; V270-Y273 HydrophobicContact CG1-CE2 4.39Å; V270-Y273 HydrophobicContact CG1-CG 4.49Å; Y273-P275 WeakPolarHBondContact O-CD 3.26Å; Y273-P275 VanDerWaalsContact O-N 3.08Å; Y273-P299 HydrophobicContact CD2-CB 3.78Å; Y273-P299 HydrophobicContact CD2-CG 4.15Å; Y273-P299 HydrophobicContact CE2-CB 3.67Å; Y273-P299 HydrophobicContact CE2-CG 3.49Å; Y273-P299 VanDerWaalsContact CE2-CG 3.49Å; Y273-L300 PolarHBondContact N-O 2.9Å; Y273-L300 VanDerWaalsContact N-O 3.12Å; Y273-M301 HydrophobicContact CD2-CB 4.31Å; Y273-M301 HydrophobicContact CD2-CG 3.16Å; Y273-M301 HydrophobicContact CD2-SD 4.16Å; Y273-M301 HydrophobicContact CE2-CG 3.52Å; Y273-M301 HydrophobicContact CE2-SD 3.94Å; Y273-M301 HydrophobicContact CG-CG 3.96Å; Y273-D316 HydrophobicContact CE2-CB 4.26Å; Y273-D316 PolarHBondContact OH-OD2 3.36Å; Y273-R318 PolarHBondContact OH-NH2 3.38Å
274S67.8Low73Confident119 Ų11975 Ų7583%0.83241%0.406SS*.  trans-57.6113.1-178.8-56.70000111.4
275P66.9Low72.1Confident24 Ų2479.6 Ų79.616%0.15641%0.41CS..  trans-65.9154.4172.4-12.727.1000109.8Y273 A279 V280 Y283 A302Y273-P275 WeakPolarHBondContact O-CD 3.26Å; Y273-P275 VanDerWaalsContact O-N 3.08Å; P275-A279 HydrophobicContact CB-CB 4.07Å; P275-V280 HydrophobicContact CB-CG2 3.94Å; P275-V280 HydrophobicContact CG-CG2 4.13Å; P275-Y283 HydrophobicContact CG-CD1 4.05Å; P275-Y283 HydrophobicContact CG-CE1 4.08Å; P275-Y283 HydrophobicContact CG-CG 4.24Å; P275-A302 HydrophobicContact CB-CB 3.71Å; P275-A302 HydrophobicContact CG-CB 4.1Å
276T68.6Low70.8Confident78 Ų7882.1 Ų82.148%0.47942%0.416SS..  trans-57145.6164.356.50000110.1W278 A279 V280T276-W278 PolarHBondContact O-N 3.24Å; T276-W278 PolarHBondContact OG1-NE1 3.19Å; T276-A279 WeakPolarHBondContact O-CA 3.38Å; T276-A279 VanDerWaalsContact O-CB 3.32Å; T276-A279 WeakPolarHBondContact O-CB 3.37Å; T276-A279 PolarHBondContact O-N 3.15Å; T276-A279 WeakPolarHBondContact OG1-CB 3.34Å; T276-V280 PolarHBondContact O-N 2.93Å
277A70.6Confident69.7Low95 Ų9585 Ų8579%0.78543%0.431SS*.Hα-helixtrans-52.7-37.3-171.800000114A279A277-A279 VanDerWaalsContact C-N 3.33Å; A277-A279 PolarHBondContact O-N 2.98Å
278W69.6Low68.3Low140 Ų14084.1 Ų84.153%0.5344%0.435SS..Hα-helixtrans-70.4-28177.484-87.8000113.2T276 V304 V311T276-W278 PolarHBondContact O-N 3.24Å; T276-W278 PolarHBondContact OG1-NE1 3.19Å; W278-V304 HydrophobicContact CH2-CG1 4.12Å; W278-V304 HydrophobicContact CZ2-CB 4.47Å; W278-V304 HydrophobicContact CZ2-CG1 3.67Å; W278-V304 HydrophobicContact CZ2-CG2 3.92Å; W278-V311 HydrophobicContact CH2-CG2 3.7Å; W278-V311 HydrophobicContact CZ2-CG2 4.1Å; W278-V311 HydrophobicContact CZ3-CG2 4.08Å
279A67.7Low67Low0 Ų088.4 Ų88.40%046%0.458CS..Hα-helixtrans-78.4-26.1-179.200000112.5P275 T276 A277 A281 Q282 Y283 V311P275-A279 HydrophobicContact CB-CB 4.07Å; T276-A279 WeakPolarHBondContact O-CA 3.38Å; T276-A279 VanDerWaalsContact O-CB 3.32Å; T276-A279 WeakPolarHBondContact O-CB 3.37Å; T276-A279 PolarHBondContact O-N 3.15Å; T276-A279 WeakPolarHBondContact OG1-CB 3.34Å; A277-A279 VanDerWaalsContact C-N 3.33Å; A277-A279 PolarHBondContact O-N 2.98Å; A279-A281 PolarHBondContact O-N 2.98Å; A279-Q282 PolarHBondContact O-N 3.15Å; A279-Y283 WeakPolarHBondContact O-CB 3.41Å; A279-Y283 PolarHBondContact O-N 3.32Å; A279-V311 HydrophobicContact CB-CB 4.44Å; A279-V311 HydrophobicContact CB-CG1 4.08Å; A279-V311 HydrophobicContact CB-CG2 3.65Å
280V67.8Low66Low45 Ų4582.9 Ų82.927%0.27344%0.442SS..Hα-helixtrans-55-48.1-176.9178.10000111.7P275 T276 Q282 Y283 E284P275-V280 HydrophobicContact CB-CG2 3.94Å; P275-V280 HydrophobicContact CG-CG2 4.13Å; T276-V280 PolarHBondContact O-N 2.93Å; V280-Q282 PolarHBondContact O-N 3.47Å; V280-Y283 WeakPolarHBondContact O-CB 3.5Å; V280-Y283 PolarHBondContact O-N 3.43Å; V280-E284 HydrophobicContact CG1-CG 4.04Å; V280-E284 WeakPolarHBondContact O-CB 3.48Å; V280-E284 VanDerWaalsContact O-CG 3.32Å; V280-E284 WeakPolarHBondContact O-CG 3.48Å; V280-E284 PolarHBondContact O-N 3.35Å
281A67.7Low64.8Low62 Ų6291.3 Ų91.351%0.51247%0.468SS..Hα-helixtrans-67.3-33-176.700000113.7A279 K285A279-A281 PolarHBondContact O-N 2.98Å; A281-K285 WeakPolarHBondContact O-CG 3.3Å
282Q60.9Low64Low74 Ų7487.2 Ų87.235%0.34646%0.457SS..Hα-helixtrans-75.5-37.4173.6-70.8-167.7-1500111.3A279 V280 V311A279-Q282 PolarHBondContact O-N 3.15Å; V280-Q282 PolarHBondContact O-N 3.47Å; Q282-V311 HydrophobicContact CB-CB 4.16Å; Q282-V311 HydrophobicContact CB-CG2 4.44Å; Q282-V311 VanDerWaalsContact OE1-N 3.15Å
283Y63.4Low63.6Low2 Ų289.5 Ų89.51%0.00848%0.477CS..Hα-helixtrans-65.9-44.4179.2173.2-95.9000112.6E272 P275 A279 V280 K285 E286 L287 L300 A302 P313E272-Y283 WeakPolarHBondContact CG-OH 3.39Å; E272-Y283 VanDerWaalsContact OE1-CE1 3.23Å; E272-Y283 WeakPolarHBondContact OE1-CE1 3.35Å; E272-Y283 PolarHBondContact OE1-OH 2.89Å; P275-Y283 HydrophobicContact CG-CD1 4.05Å; P275-Y283 HydrophobicContact CG-CE1 4.08Å; P275-Y283 HydrophobicContact CG-CG 4.24Å; A279-Y283 WeakPolarHBondContact O-CB 3.41Å; A279-Y283 PolarHBondContact O-N 3.32Å; V280-Y283 WeakPolarHBondContact O-CB 3.5Å; V280-Y283 PolarHBondContact O-N 3.43Å; Y283-K285 VanDerWaalsContact C-N 3.29Å; Y283-K285 PolarHBondContact O-N 3.28Å; Y283-E286 PolarHBondContact O-N 2.91Å; Y283-L287 HydrophobicContact CD1-CD1 4.33Å; Y283-L287 HydrophobicContact CE1-CD1 4.07Å; Y283-L300 HydrophobicContact CE1-CD2 4.06Å; Y283-L300 HydrophobicContact CE2-CD2 3.52Å; Y283-L300 HydrophobicContact CE2-CG 3.71Å; Y283-L300 WeakPolarHBondContact OH-CB 3.46Å; Y283-L300 WeakPolarHBondContact OH-CD2 3.38Å; Y283-L300 WeakPolarHBondContact OH-CG 2.92Å; Y283-L300 PolarHBondContact OH-O 3.4Å; Y283-A302 HydrophobicContact CD2-CB 3.93Å; Y283-A302 HydrophobicContact CE2-CB 4.17Å; Y283-P313 HydrophobicContact CD2-CB 4.01Å; Y283-P313 HydrophobicContact CE2-CB 3.96Å
284E66.4Low63.4Low83 Ų8387.4 Ų87.439%0.38848%0.477SS..Hα-helixtrans-68.1-25.6-179.1-73.3-174.4161.200113.7V280 E286 L287 K375V280-E284 HydrophobicContact CG1-CG 4.04Å; V280-E284 WeakPolarHBondContact O-CB 3.48Å; V280-E284 VanDerWaalsContact O-CG 3.32Å; V280-E284 WeakPolarHBondContact O-CG 3.48Å; V280-E284 PolarHBondContact O-N 3.35Å; E284-E286 PolarHBondContact O-N 3.38Å; E284-L287 PolarHBondContact O-N 2.92Å; E284-K375 VanDerWaalsContact CD-NZ 3.29Å; E284-K375 WeakPolarHBondContact OE1-CE 3.34Å; E284-K375 IonicContact OE1-NZ 2.81Å; E284-K375 PolarHBondContact OE1-NZ 3.13Å; E284-K375 IonicContact OE2-NZ 2.67Å
285K62.9Low63.9Low183 Ų18385.2 Ų85.280%0.79645%0.453SS*.THydrogen-bonded Turntrans-67.5-18.9177.5-77.9-179.8-179-175.50113.7A281 Y283A281-K285 WeakPolarHBondContact O-CG 3.3Å; Y283-K285 VanDerWaalsContact C-N 3.29Å; Y283-K285 PolarHBondContact O-N 3.28Å
286E55.8Low64.5Low138 Ų13884.3 Ų84.365%0.64545%0.447SS*.THydrogen-bonded Turntrans-997.9-174.5-61.9-80.6174.100112.4Y283 E284 P313Y283-E286 PolarHBondContact O-N 2.91Å; E284-E286 PolarHBondContact O-N 3.38Å; E286-P313 HydrophobicContact CB-CG 3.85Å; E286-P313 HydrophobicContact CG-CG 4.5Å
287L60.2Low65.3Low61 Ų6181.4 Ų81.432%0.31943%0.429SS..  trans-105.9127.7-174.3-58.3179.1000112.8Y283 E284 L300 V374Y283-L287 HydrophobicContact CD1-CD1 4.33Å; Y283-L287 HydrophobicContact CE1-CD1 4.07Å; E284-L287 PolarHBondContact O-N 2.92Å; L287-L300 HydrophobicContact CD1-CD2 4.35Å; L287-L300 HydrophobicContact CD2-CD2 3.42Å; L287-L300 VanDerWaalsContact CD2-CD2 3.42Å; L287-V374 HydrophobicContact CD1-CG1 4Å
288D55.8Low66Low151 Ų15176.9 Ų76.981%0.80739%0.391SS*.  trans-123.5154.6179.3-113.8-23.6000112.6
289N52.2Low66.6Low115 Ų11570.2 Ų70.262%0.61537%0.366SS*.  trans-85.4120.6-171-67.7-67.4000114.2Y379N289-Y379 HydrophobicContact CB-CE1 4.13Å; N289-Y379 WeakPolarHBondContact OD1-CE1 3.27Å; N289-Y379 PolarHBondContact OD1-OH 3.42Å
290V56.2Low67.2Low61 Ų6170.7 Ų70.737%0.3737%0.369SS..  trans-142130.4170.5-171.70000113.2Y379 C380 T382V290-Y379 VanDerWaalsContact N-CD1 3.28Å; V290-Y379 WeakPolarHBondContact O-CA 3.4Å; V290-Y379 WeakPolarHBondContact O-CB 3.45Å; V290-Y379 WeakPolarHBondContact O-CD1 3.31Å; V290-C380 WeakPolarHBondContact CG1-O 3.26Å; V290-C380 PolarHBondContact O-N 3.41Å; V290-T382 HydrophobicContact CG1-CG2 3.89Å
291R53.1Low67.7Low234 Ų23470.4 Ų70.488%0.88337%0.365SS*.  trans-102.8143.9-170.4-65.2178-179.91790.2115.3
292G59.1Low68.2Low26 Ų2668.8 Ų68.827%0.26835%0.351SS..  trans-179.3162.9167.400000115.8C380G292-C380 VanDerWaalsContact CA-SG 3.55Å
293P67.4Low69.1Low108 Ų10868.7 Ų68.770%0.70135%0.352SS*.  trans-77.4141.1176.830.9-33.5000112.8P368P293-P368 WeakPolarHBondContact O-CA 3.4Å; P293-P368 WeakPolarHBondContact O-CB 3.32Å
294A71Confident69.9Low37 Ų3771.5 Ų71.531%0.30637%0.369SS..  trans-93.2135.2-173.600000113.5L297 T371A294-L297 HydrophobicContact CB-CD2 4.39Å; A294-T371 WeakPolarHBondContact CA-OG1 3.33Å; A294-T371 HydrophobicContact CB-CG2 3.66Å
295K79.8Confident70.5Confident73 Ų7370.3 Ų70.332%0.31736%0.364SS..SBendtrans-106.3-6.9159.8-73.3-175179.6-179.50112.6V265 L266 P368 Y369V265-K295 CarbonylContact C-O 3.46Å; V265-K295 WeakPolarHBondContact CA-O 3.4Å; V265-K295 WeakPolarHBondContact CG1-O 3.45Å; L266-K295 PolarHBondContact N-O 2.87Å; K295-P368 HydrophobicContact CB-CB 3.73Å; K295-P368 HydrophobicContact CD-CB 3.92Å; K295-P368 HydrophobicContact CG-CB 3.57Å; K295-P368 PolarHBondContact N-O 3.25Å; K295-Y369 HydrophobicContact CB-CD1 4.04Å; K295-Y369 HydrophobicContact CB-CE1 3.88Å; K295-Y369 HydrophobicContact CB-CG 4.44Å; K295-Y369 HydrophobicContact CD-CE1 4.11Å; K295-Y369 HydrophobicContact CD-CE2 3.79Å
296G78.8Confident71.3Confident4 Ų470 Ų704%0.04137%0.365CS..SBendtrans-170.3144.7173.600000110.1P368 T371G296-P368 PolarHBondContact N-O 2.71Å; G296-T371 WeakPolarHBondContact O-CB 3.34Å
297L84.2Confident72.5Confident17 Ų1773.6 Ų73.69%0.08938%0.379CS..BIsolated β-bridgetrans-91.7128.4173.1-62.5-179.6000109.6K271 A294 P299 T371 E373K271-L297 HydrophobicContact CG-CD1 4.39Å; A294-L297 HydrophobicContact CB-CD2 4.39Å; L297-P299 VanDerWaalsContact O-CD 3.23Å; L297-P299 WeakPolarHBondContact O-CD 3.39Å; L297-T371 CarbonylContact C-O 3.59Å; L297-T371 VanDerWaalsContact CA-O 3.31Å; L297-T371 WeakPolarHBondContact CA-O 3.48Å; L297-T371 HydrophobicContact CD2-CG2 4.39Å; L297-E373 HydrophobicContact CD2-CB 4.2Å
298I85.9Confident73.3Confident1 Ų177.2 Ų77.21%0.00539%0.392CS..  trans-106.384.6171.8-57-58.9000106.2L266 L300 L315 F317 L320 Y369 T371 V372L266-I298 HydrophobicContact CD1-CD1 3.88Å; I298-L300 PolarHBondContact O-N 3.27Å; I298-L315 HydrophobicContact CG2-CB 3.67Å; I298-L315 HydrophobicContact CG2-CD2 4.09Å; I298-L315 HydrophobicContact CG2-CG 4.39Å; I298-F317 HydrophobicContact CD1-CD1 4.35Å; I298-F317 HydrophobicContact CG1-CE1 4.42Å; I298-F317 HydrophobicContact CG2-CD1 4.08Å; I298-F317 HydrophobicContact CG2-CE1 4.1Å; I298-F317 HydrophobicContact CG2-CG 4.33Å; I298-F317 HydrophobicContact CG2-CZ 4.37Å; I298-L320 HydrophobicContact CD1-CB 4.01Å; I298-L320 HydrophobicContact CD1-CD2 4.44Å; I298-Y369 WeakPolarHBondContact CG1-O 3.38Å; I298-T371 PolarHBondContact N-O 2.75Å; I298-V372 VanDerWaalsContact O-CG1 3.26Å; I298-V372 WeakPolarHBondContact O-CG1 3.3Å
299P83Confident74.3Confident0 Ų072.6 Ų72.60%038%0.38CS..  trans-58.3143.2-173.221.1-32.2000111.4N268 V270 Y273 L297 D316N268-P299 WeakPolarHBondContact ND2-CD 3.29Å; N268-P299 VanDerWaalsContact ND2-CG 3.27Å; N268-P299 WeakPolarHBondContact ND2-CG 3.32Å; V270-P299 HydrophobicContact CB-CB 4.06Å; V270-P299 HydrophobicContact CB-CG 4.05Å; V270-P299 HydrophobicContact CG1-CB 3.87Å; V270-P299 HydrophobicContact CG1-CG 4.28Å; V270-P299 WeakPolarHBondContact O-CB 3.35Å; Y273-P299 HydrophobicContact CD2-CB 3.78Å; Y273-P299 HydrophobicContact CD2-CG 4.15Å; Y273-P299 HydrophobicContact CE2-CB 3.67Å; Y273-P299 HydrophobicContact CE2-CG 3.49Å; Y273-P299 VanDerWaalsContact CE2-CG 3.49Å; L297-P299 VanDerWaalsContact O-CD 3.23Å; L297-P299 WeakPolarHBondContact O-CD 3.39Å; P299-D316 HydrophobicContact CG-CB 3.84Å; P299-D316 WeakPolarHBondContact O-CB 2.86Å; P299-D316 PolarHBondContact O-N 3.4Å
300L78.8Confident75.5Confident10 Ų1070.3 Ų70.35%0.05237%0.365CS..EExtended strand (participates in β ladder)trans-84.5127178.3-162.771.1000109.7Y273 Y283 L287 I298 P313 L315Y273-L300 PolarHBondContact N-O 2.9Å; Y273-L300 VanDerWaalsContact N-O 3.12Å; Y283-L300 HydrophobicContact CE1-CD2 4.06Å; Y283-L300 HydrophobicContact CE2-CD2 3.52Å; Y283-L300 HydrophobicContact CE2-CG 3.71Å; Y283-L300 WeakPolarHBondContact OH-CB 3.46Å; Y283-L300 WeakPolarHBondContact OH-CD2 3.38Å; Y283-L300 WeakPolarHBondContact OH-CG 2.92Å; Y283-L300 PolarHBondContact OH-O 3.4Å; L287-L300 HydrophobicContact CD1-CD2 4.35Å; L287-L300 HydrophobicContact CD2-CD2 3.42Å; L287-L300 VanDerWaalsContact CD2-CD2 3.42Å; I298-L300 PolarHBondContact O-N 3.27Å; L300-P313 HydrophobicContact CD1-CB 3.88Å; L300-P313 HydrophobicContact CD2-CB 3.9Å; L300-P313 HydrophobicContact CG-CB 4.02Å; L300-L315 HydrophobicContact CD1-CD2 3.5Å; L300-L315 HydrophobicContact CD1-CG 4.06Å
301M79.8Confident76.4Confident39 Ų3967.8 Ų67.819%0.19235%0.349CS..EExtended strand (participates in β ladder)trans-108.6136.9177.7-67.1179.3-61.700110.2Y273 I303 P313 V314 D316Y273-M301 HydrophobicContact CD2-CB 4.31Å; Y273-M301 HydrophobicContact CD2-CG 3.16Å; Y273-M301 HydrophobicContact CD2-SD 4.16Å; Y273-M301 HydrophobicContact CE2-CG 3.52Å; Y273-M301 HydrophobicContact CE2-SD 3.94Å; Y273-M301 HydrophobicContact CG-CG 3.96Å; M301-I303 HydrophobicContact CB-CD1 4.47Å; M301-P313 CarbonylContact O-C 3.48Å; M301-P313 WeakPolarHBondContact O-CA 3.34Å; M301-V314 WeakPolarHBondContact CB-O 3.44Å; M301-V314 HydrophobicContact CE-CG1 4.16Å; M301-V314 PolarHBondContact N-O 3.26Å; M301-V314 PolarHBondContact O-N 2.74Å; M301-D316 HydrophobicContact CE-CB 3.62Å; M301-D316 HydrophobicContact CG-CB 4.43Å; M301-D316 HydrophobicContact SD-CB 4.02Å
302A78.5Confident77.5Confident27 Ų2761.9 Ų61.922%0.22333%0.327CS..EExtended strand (participates in β ladder)trans-88.1112.217000000110.2P275 Y283 V311P275-A302 HydrophobicContact CB-CB 3.71Å; P275-A302 HydrophobicContact CG-CB 4.1Å; Y283-A302 HydrophobicContact CD2-CB 3.93Å; Y283-A302 HydrophobicContact CE2-CB 4.17Å; A302-V311 HydrophobicContact CB-CG1 3.82Å
303I78.5Confident78.1Confident73 Ų7362.5 Ų62.537%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-99.2114.5175.3-58.6-57.6000110M301 Q305 V311 R312 V314M301-I303 HydrophobicContact CB-CD1 4.47Å; I303-Q305 PolarHBondContact O-N 3.43Å; I303-V311 WeakPolarHBondContact O-CA 3.3Å; I303-R312 PolarHBondContact N-O 3.05Å; I303-R312 PolarHBondContact O-N 3.35Å; I303-V314 HydrophobicContact CB-CG2 3.94Å; I303-V314 HydrophobicContact CG1-CB 3.76Å; I303-V314 HydrophobicContact CG1-CG1 4.49Å; I303-V314 HydrophobicContact CG1-CG2 3.42Å; I303-V314 VanDerWaalsContact CG1-CG2 3.42Å
304V80.4Confident78.6Confident60 Ų6059.4 Ų59.436%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-79.6114.3176.8-179.30000109.7W278 Q306 V311W278-V304 HydrophobicContact CH2-CG1 4.12Å; W278-V304 HydrophobicContact CZ2-CB 4.47Å; W278-V304 HydrophobicContact CZ2-CG1 3.67Å; W278-V304 HydrophobicContact CZ2-CG2 3.92Å; V304-Q306 HydrophobicContact CG1-CG 3.97Å; V304-Q306 PolarHBondContact O-N 3.01Å; V304-V311 HydrophobicContact CG2-CG2 4.33Å
305Q79.6Confident79.1Confident58 Ų5858.9 Ų58.927%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-9480.8172.1-57.8-164.5-51.800109.1I303 K307 K308 G309 K310 R312I303-Q305 PolarHBondContact O-N 3.43Å; Q305-K307 PolarHBondContact O-N 3.43Å; Q305-K307 VanDerWaalsContact O-N 3.16Å; Q305-K308 HydrophobicContact CB-CB 4.06Å; Q305-K308 CarbonylContact O-C 3.5Å; Q305-K308 WeakPolarHBondContact O-CA 3.27Å; Q305-K308 PolarHBondContact O-N 3.18Å; Q305-G309 PolarHBondContact O-N 3.04Å; Q305-K310 HydrophobicContact CB-CG 4.16Å; Q305-K310 WeakPolarHBondContact CB-O 3.2Å; Q305-K310 PolarHBondContact N-O 2.83Å; Q305-R312 HydrophobicContact CG-CG 4.5Å
306Q79.5Confident79.5Confident176 Ų17655.7 Ų55.782%0.82228%0.283SS*.G310 helixtrans-49.6-45-175.9-70.1-175.8-14.800112.4V304 K308 G309V304-Q306 HydrophobicContact CG1-CG 3.97Å; V304-Q306 PolarHBondContact O-N 3.01Å; Q306-K308 PolarHBondContact O-N 3.2Å; Q306-G309 PolarHBondContact O-N 3.49Å
307K80Confident80Confident214 Ų21455.7 Ų55.793%0.9328%0.282SS*.G310 helixtrans-63.8-23178.5-65.9-173.9178.2-177.80114.6Q305Q305-K307 PolarHBondContact O-N 3.43Å; Q305-K307 VanDerWaalsContact O-N 3.16Å
308K77Confident80.2Confident137 Ų13762.7 Ų62.760%0.59631%0.308SS*.G310 helixtrans-108.21.2-177.6-65.2-171.8178.1-1750112.5Q305 Q306 K310Q305-K308 HydrophobicContact CB-CB 4.06Å; Q305-K308 CarbonylContact O-C 3.5Å; Q305-K308 WeakPolarHBondContact O-CA 3.27Å; Q305-K308 PolarHBondContact O-N 3.18Å; Q306-K308 PolarHBondContact O-N 3.2Å; K308-K310 HydrophobicContact CB-CD 4.04Å; K308-K310 HydrophobicContact CB-CG 3.85Å; K308-K310 PolarHBondContact O-N 2.94Å; K308-K310 VanDerWaalsContact O-N 3.16Å
309G78.5Confident80.4Confident54 Ų5464.6 Ų64.656%0.55732%0.317SS*.THydrogen-bonded Turntrans56.827.9-178.900000114.4Q305 Q306Q305-G309 PolarHBondContact O-N 3.04Å; Q306-G309 PolarHBondContact O-N 3.49Å
310K77.6Confident80.8Confident68 Ų6864.6 Ų64.630%0.29632%0.317SS..EExtended strand (participates in β ladder)trans-137.3149.6-172.971.5-173.3-172175.90113.4Q305 K308 R312Q305-K310 HydrophobicContact CB-CG 4.16Å; Q305-K310 WeakPolarHBondContact CB-O 3.2Å; Q305-K310 PolarHBondContact N-O 2.83Å; K308-K310 HydrophobicContact CB-CD 4.04Å; K308-K310 HydrophobicContact CB-CG 3.85Å; K308-K310 PolarHBondContact O-N 2.94Å; K308-K310 VanDerWaalsContact O-N 3.16Å; K310-R312 VanDerWaalsContact NZ-CZ 3.31Å
311V74Confident81.4Confident7 Ų765.9 Ų65.94%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-100.1132.7171.5178.50000109W278 A279 Q282 A302 I303 V304W278-V311 HydrophobicContact CH2-CG2 3.7Å; W278-V311 HydrophobicContact CZ2-CG2 4.1Å; W278-V311 HydrophobicContact CZ3-CG2 4.08Å; A279-V311 HydrophobicContact CB-CB 4.44Å; A279-V311 HydrophobicContact CB-CG1 4.08Å; A279-V311 HydrophobicContact CB-CG2 3.65Å; Q282-V311 HydrophobicContact CB-CB 4.16Å; Q282-V311 HydrophobicContact CB-CG2 4.44Å; Q282-V311 VanDerWaalsContact OE1-N 3.15Å; A302-V311 HydrophobicContact CB-CG1 3.82Å; I303-V311 WeakPolarHBondContact O-CA 3.3Å; V304-V311 HydrophobicContact CG2-CG2 4.33Å
312R75.7Confident81.9Confident110 Ų11067.7 Ų67.742%0.41535%0.345SS..EExtended strand (participates in β ladder)trans-111.7129.4173.4-69.1-168.2178.4-93.720.5110.5I303 Q305 K310 V314I303-R312 PolarHBondContact N-O 3.05Å; I303-R312 PolarHBondContact O-N 3.35Å; Q305-R312 HydrophobicContact CG-CG 4.5Å; K310-R312 VanDerWaalsContact NZ-CZ 3.31Å; R312-V314 HydrophobicContact CB-CG2 4.38Å; R312-V314 PolarHBondContact O-N 2.72Å
313P71.3Confident82.4Confident39 Ų3969.5 Ų69.525%0.25335%0.348SS..EExtended strand (participates in β ladder)trans-67.8123.2163.929.5-32.5000108.8Y283 E286 L300 M301Y283-P313 HydrophobicContact CD2-CB 4.01Å; Y283-P313 HydrophobicContact CE2-CB 3.96Å; E286-P313 HydrophobicContact CB-CG 3.85Å; E286-P313 HydrophobicContact CG-CG 4.5Å; L300-P313 HydrophobicContact CD1-CB 3.88Å; L300-P313 HydrophobicContact CD2-CB 3.9Å; L300-P313 HydrophobicContact CG-CB 4.02Å; M301-P313 CarbonylContact O-C 3.48Å; M301-P313 WeakPolarHBondContact O-CA 3.34Å
314V78.7Confident82.9Confident44 Ų4466.2 Ų66.227%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-122.3132.6177.3178.20000108.4M301 I303 R312M301-V314 WeakPolarHBondContact CB-O 3.44Å; M301-V314 HydrophobicContact CE-CG1 4.16Å; M301-V314 PolarHBondContact N-O 3.26Å; M301-V314 PolarHBondContact O-N 2.74Å; I303-V314 HydrophobicContact CB-CG2 3.94Å; I303-V314 HydrophobicContact CG1-CB 3.76Å; I303-V314 HydrophobicContact CG1-CG1 4.49Å; I303-V314 HydrophobicContact CG1-CG2 3.42Å; I303-V314 VanDerWaalsContact CG1-CG2 3.42Å; R312-V314 HydrophobicContact CB-CG2 4.38Å; R312-V314 PolarHBondContact O-N 2.72Å
315L82.2Confident82.9Confident25 Ų2569.1 Ų69.113%0.13134%0.341CS..EExtended strand (participates in β ladder)trans-83.1132.2178.5-71172.4000110.1I298 L300 F317 V372 L381I298-L315 HydrophobicContact CG2-CB 3.67Å; I298-L315 HydrophobicContact CG2-CD2 4.09Å; I298-L315 HydrophobicContact CG2-CG 4.39Å; L300-L315 HydrophobicContact CD1-CD2 3.5Å; L300-L315 HydrophobicContact CD1-CG 4.06Å; L315-F317 VanDerWaalsContact C-N 3.34Å; L315-F317 HydrophobicContact CB-CD2 3.67Å; L315-F317 HydrophobicContact CB-CE2 3.3Å; L315-F317 HydrophobicContact CB-CZ 3.95Å; L315-F317 HydrophobicContact CD1-CE2 3.69Å; L315-F317 HydrophobicContact CD1-CZ 3.72Å; L315-F317 HydrophobicContact CG-CE2 4.13Å; L315-F317 HydrophobicContact CG-CZ 4.48Å; L315-F317 WeakPolarHBondContact O-CD2 3.31Å; L315-F317 PolarHBondContact O-N 2.78Å; L315-V372 HydrophobicContact CD2-CG1 3.33Å; L315-L381 HydrophobicContact CD1-CD2 3.75Å
316D88Confident82.9Confident6 Ų668.2 Ų68.23%0.03234%0.34CS..  trans-80.779.9178.7-170.24.3000112.6Y273 P299 M301 R318Y273-D316 HydrophobicContact CE2-CB 4.26Å; Y273-D316 PolarHBondContact OH-OD2 3.36Å; P299-D316 HydrophobicContact CG-CB 3.84Å; P299-D316 WeakPolarHBondContact O-CB 2.86Å; P299-D316 PolarHBondContact O-N 3.4Å; M301-D316 HydrophobicContact CE-CB 3.62Å; M301-D316 HydrophobicContact CG-CB 4.43Å; M301-D316 HydrophobicContact SD-CB 4.02Å; D316-R318 PolarHBondContact O-N 3.25Å; D316-R318 WeakPolarHBondContact OD1-CB 3.46Å; D316-R318 VanDerWaalsContact OD1-CG 3.23Å; D316-R318 WeakPolarHBondContact OD1-CG 3.11Å; D316-R318 IonicContact OD1-CZ 2.77Å; D316-R318 PolarHBondContact OD1-N 3.37Å; D316-R318 IonicContact OD1-NE 2.59Å; D316-R318 PolarHBondContact OD1-NE 3.36Å; D316-R318 IonicContact OD1-NH2 3.33Å; D316-R318 IonicContact OD2-CZ 2.66Å; D316-R318 IonicContact OD2-NE 3.6Å; D316-R318 PolarHBondContact OD2-NE 3.07Å; D316-R318 IonicContact OD2-NH2 3.55Å; D316-R318 PolarHBondContact OD2-NH2 3.04Å
317F89.2Confident83Confident4 Ų464.8 Ų64.82%0.01832%0.32CS..  trans-76.64.8179-75-71.1000114.5I298 L315 E319 L320 N321 Q370 F386 G387 L388I298-F317 HydrophobicContact CD1-CD1 4.35Å; I298-F317 HydrophobicContact CG1-CE1 4.42Å; I298-F317 HydrophobicContact CG2-CD1 4.08Å; I298-F317 HydrophobicContact CG2-CE1 4.1Å; I298-F317 HydrophobicContact CG2-CG 4.33Å; I298-F317 HydrophobicContact CG2-CZ 4.37Å; L315-F317 VanDerWaalsContact C-N 3.34Å; L315-F317 HydrophobicContact CB-CD2 3.67Å; L315-F317 HydrophobicContact CB-CE2 3.3Å; L315-F317 HydrophobicContact CB-CZ 3.95Å; L315-F317 HydrophobicContact CD1-CE2 3.69Å; L315-F317 HydrophobicContact CD1-CZ 3.72Å; L315-F317 HydrophobicContact CG-CE2 4.13Å; L315-F317 HydrophobicContact CG-CZ 4.48Å; L315-F317 WeakPolarHBondContact O-CD2 3.31Å; L315-F317 PolarHBondContact O-N 2.78Å; F317-E319 PolarHBondContact O-N 2.84Å; F317-L320 HydrophobicContact CD1-CB 4.36Å; F317-L320 HydrophobicContact CD1-CD2 3.8Å; F317-L320 HydrophobicContact CE1-CD2 4.01Å; F317-L320 PolarHBondContact O-N 2.98Å; F317-N321 VanDerWaalsContact O-CB 3.27Å; F317-N321 WeakPolarHBondContact O-CB 3.32Å; F317-N321 PolarHBondContact O-N 2.64Å; F317-N321 PolarHBondContact O-ND2 2.78Å; F317-Q370 HydrophobicContact CE1-CG 4.16Å; F317-F386 VanDerWaalsContact CD2-O 3.29Å; F317-F386 WeakPolarHBondContact CD2-O 3.36Å; F317-F386 VanDerWaalsContact CE2-O 3.23Å; F317-F386 WeakPolarHBondContact CE2-O 3.26Å; F317-G387 WeakPolarHBondContact CB-O 3.32Å; F317-L388 HydrophobicContact CD1-CD1 3.96Å; F317-L388 HydrophobicContact CE1-CD1 4.21Å
318R89.3Confident82.9Confident165 Ų16559 Ų5962%0.62330%0.302SS*.Hα-helixtrans-56.7-46.4-171.7-73.5179-68176.5-1.3113.4Y273 D316 A322Y273-R318 PolarHBondContact OH-NH2 3.38Å; D316-R318 PolarHBondContact O-N 3.25Å; D316-R318 WeakPolarHBondContact OD1-CB 3.46Å; D316-R318 VanDerWaalsContact OD1-CG 3.23Å; D316-R318 WeakPolarHBondContact OD1-CG 3.11Å; D316-R318 IonicContact OD1-CZ 2.77Å; D316-R318 PolarHBondContact OD1-N 3.37Å; D316-R318 IonicContact OD1-NE 2.59Å; D316-R318 PolarHBondContact OD1-NE 3.36Å; D316-R318 IonicContact OD1-NH2 3.33Å; D316-R318 IonicContact OD2-CZ 2.66Å; D316-R318 IonicContact OD2-NE 3.6Å; D316-R318 PolarHBondContact OD2-NE 3.07Å; D316-R318 IonicContact OD2-NH2 3.55Å; D316-R318 PolarHBondContact OD2-NH2 3.04Å; R318-A322 PolarHBondContact O-N 2.91Å
319E90Very high82.5Confident41 Ų4155.9 Ų55.919%0.19230%0.303CS..Hα-helixtrans-67.5-47.1177.8-175.5178.2-167.500111.3L266 K267 N268 F317 N321 A322 H323L266-E319 HydrophobicContact CD2-CG 4.38Å; K267-E319 WeakPolarHBondContact CA-OE1 3.36Å; K267-E319 VanDerWaalsContact CB-OE1 3.25Å; K267-E319 WeakPolarHBondContact CB-OE1 3.36Å; K267-E319 VanDerWaalsContact N-CD 3.31Å; K267-E319 PolarHBondContact N-OE1 2.81Å; K267-E319 PolarHBondContact N-OE2 2.88Å; N268-E319 WeakPolarHBondContact CB-OE2 3.34Å; N268-E319 PolarHBondContact N-OE2 2.99Å; F317-E319 PolarHBondContact O-N 2.84Å; E319-N321 VanDerWaalsContact C-N 3.29Å; E319-N321 PolarHBondContact O-N 3.17Å; E319-A322 WeakPolarHBondContact O-CB 3.49Å; E319-A322 PolarHBondContact O-N 3.49Å; E319-H323 PolarHBondContact O-CD2 2.97Å
320L90.5Very high82.1Confident0 Ų059.5 Ų59.50%031%0.305CS..Hα-helixtrans-59.6-42.7179.9-179.157.2000111.5W255 W257 L266 I298 F317 A322 H323 I324 Q370 L388W255-L320 HydrophobicContact CZ2-CD2 4.14Å; W257-L320 HydrophobicContact CH2-CD1 3.87Å; W257-L320 HydrophobicContact CZ3-CD1 3.67Å; L266-L320 HydrophobicContact CD1-CB 4.2Å; L266-L320 HydrophobicContact CD1-CD1 4.32Å; I298-L320 HydrophobicContact CD1-CB 4.01Å; I298-L320 HydrophobicContact CD1-CD2 4.44Å; F317-L320 HydrophobicContact CD1-CB 4.36Å; F317-L320 HydrophobicContact CD1-CD2 3.8Å; F317-L320 HydrophobicContact CE1-CD2 4.01Å; F317-L320 PolarHBondContact O-N 2.98Å; L320-A322 PolarHBondContact O-N 2.92Å; L320-H323 PolarHBondContact O-N 3.17Å; L320-I324 HydrophobicContact CD1-CD1 4.17Å; L320-I324 HydrophobicContact CG-CD1 3.92Å; L320-Q370 HydrophobicContact CD2-CG 4.37Å; L320-L388 HydrophobicContact CD2-CD1 3.77Å; L320-L388 HydrophobicContact CG-CD1 4.19Å
321N91.8Very high82.1Confident37 Ų3758 Ų5820%0.19831%0.306CS..Hα-helixtrans-62.9-26177.8-72.9-18.3000112.8F317 E319 H323 I324 G387 L388 N389F317-N321 VanDerWaalsContact O-CB 3.27Å; F317-N321 WeakPolarHBondContact O-CB 3.32Å; F317-N321 PolarHBondContact O-N 2.64Å; F317-N321 PolarHBondContact O-ND2 2.78Å; E319-N321 VanDerWaalsContact C-N 3.29Å; E319-N321 PolarHBondContact O-N 3.17Å; N321-H323 PolarHBondContact O-N 3.42Å; N321-I324 PolarHBondContact O-N 2.76Å; N321-G387 PolarHBondContact ND2-O 2.81Å; N321-L388 WeakPolarHBondContact OD1-CA 3.42Å; N321-N389 HydrophobicContact CB-CB 4.26Å; N321-N389 PolarHBondContact O-ND2 2.78Å; N321-N389 PolarHBondContact OD1-N 3Å; N321-N389 PolarHBondContact OD1-OD1 3.39Å
322A89.9Confident82.3Confident77 Ų7759.7 Ų59.764%0.63631%0.314SS*.Hα-helixtrans-68.6-18.1174.700000112.6R318 E319 L320R318-A322 PolarHBondContact O-N 2.91Å; E319-A322 WeakPolarHBondContact O-CB 3.49Å; E319-A322 PolarHBondContact O-N 3.49Å; L320-A322 PolarHBondContact O-N 2.92Å
323H89.9Confident82.6Confident64 Ų6458.8 Ų58.830%0.29632%0.321SS..THydrogen-bonded Turntrans-100.85.9177.3-66.1-74.6000113.7W257 S258 P263 E319 L320 N321W257-H323 HydrophobicContact CE3-CB 4Å; W257-H323 HydrophobicContact CZ3-CB 4.1Å; S258-H323 PolarHBondContact N-O 2.53Å; S258-H323 PolarHBondContact OG-O 3.27Å; P263-H323 HydrophobicContact CG-CB 4.36Å; E319-H323 PolarHBondContact O-CD2 2.97Å; L320-H323 PolarHBondContact O-N 3.17Å; N321-H323 PolarHBondContact O-N 3.42Å
324I88.1Confident82.8Confident4 Ų459.7 Ų59.72%0.02133%0.327CS..  trans-126.1103-178.8-56.1170.2000108.4W255 S258 L320 N321 T326 L388 N389 V390W255-I324 HydrophobicContact CB-CD1 4.47Å; W255-I324 HydrophobicContact CB-CG2 4.26Å; W255-I324 VanDerWaalsContact CD1-CD1 3.49Å; W255-I324 HydrophobicContact CD2-CD1 4.02Å; W255-I324 HydrophobicContact CG-CD1 3.76Å; W255-I324 HydrophobicContact CG-CG1 4.23Å; S258-I324 PolarHBondContact OG-N 2.66Å; L320-I324 HydrophobicContact CD1-CD1 4.17Å; L320-I324 HydrophobicContact CG-CD1 3.92Å; N321-I324 PolarHBondContact O-N 2.76Å; I324-T326 HydrophobicContact CG2-CG2 4.48Å; I324-T326 PolarHBondContact O-N 2.83Å; I324-L388 HydrophobicContact CD1-CD1 3.71Å; I324-N389 WeakPolarHBondContact CG2-OD1 3.13Å; I324-N389 PolarHBondContact O-ND2 2.91Å; I324-V390 HydrophobicContact CG2-CB 4.39Å
325E79.7Confident82.7Confident122 Ų12260 Ų6057%0.5733%0.334SS*.  trans-78.7110.5176-167.4-174.8-177.600110D239 S258D239-E325 WeakPolarHBondContact CB-O 3.5Å; S258-E325 PolarHBondContact OG-N 3.22Å
326T81.3Confident82.6Confident39 Ų3961.9 Ų61.924%0.23935%0.349CS..  trans-89.7128.917953.20000112D239 I324 T328 N389 V390D239-T326 VanDerWaalsContact OD2-CA 3.3Å; D239-T326 WeakPolarHBondContact OD2-CA 3.41Å; I324-T326 HydrophobicContact CG2-CG2 4.48Å; I324-T326 PolarHBondContact O-N 2.83Å; T326-T328 PolarHBondContact O-N 3.36Å; T326-N389 HydrophobicContact CG2-CB 3.87Å; T326-N389 WeakPolarHBondContact CG2-OD1 3.32Å; T326-V390 HydrophobicContact CG2-CB 4.07Å; T326-V390 HydrophobicContact CG2-CG2 4.44Å
327Y80.4Confident82.4Confident103 Ų10363.4 Ų63.440%0.40436%0.356SS..  trans-85.995.5176.8-174.5-109.7000110.9K238 D239 A329 E330K238-Y327 HydrophobicContact CB-CG 4.49Å; K238-Y327 HydrophobicContact CD-CD2 3.82Å; K238-Y327 HydrophobicContact CD-CE2 4.45Å; K238-Y327 HydrophobicContact CD-CG 3.88Å; D239-Y327 PolarHBondContact OD2-N 2.95Å; Y327-A329 HydrophobicContact CD1-CB 4.39Å; Y327-A329 HydrophobicContact CE1-CB 3.69Å; Y327-A329 HydrophobicContact CE2-CB 3.87Å; Y327-A329 WeakPolarHBondContact OH-CB 3.46Å; Y327-E330 HydrophobicContact CE1-CG 4.24Å
328T77.6Confident81.8Confident92 Ų9266.7 Ų66.756%0.56437%0.373SS*.G310 helixtrans-90.11.9-171.957.40000114.7T326 E330 A331T326-T328 PolarHBondContact O-N 3.36Å; T328-E330 PolarHBondContact O-N 2.93Å; T328-A331 WeakPolarHBondContact O-CB 3.06Å; T328-A331 PolarHBondContact O-N 2.91Å
329A68.5Low81.3Confident73 Ų7366.2 Ų66.260%0.60337%0.371SS*.G310 helixtrans-62.9-31.8-177.300000112.7Y327Y327-A329 HydrophobicContact CD1-CB 4.39Å; Y327-A329 HydrophobicContact CE1-CB 3.69Å; Y327-A329 HydrophobicContact CE2-CB 3.87Å; Y327-A329 WeakPolarHBondContact OH-CB 3.46Å
330E70.4Confident80.8Confident130 Ų13067.4 Ų67.461%0.60738%0.377SS*.G310 helixtrans-95.35.6174.8-61.8-168.4-174.400113Y327 T328 K396Y327-E330 HydrophobicContact CE1-CG 4.24Å; T328-E330 PolarHBondContact O-N 2.93Å; E330-K396 PolarHBondContact O-NZ 3.39Å
331A77Confident80.5Confident37 Ų3768.9 Ų68.931%0.30638%0.383SS..SBendtrans-64144.6178.400000110.9T328 V333 L393T328-A331 WeakPolarHBondContact O-CB 3.06Å; T328-A331 PolarHBondContact O-N 2.91Å; A331-V333 PolarHBondContact O-N 3.37Å; A331-L393 HydrophobicContact CB-CD2 4.09Å
332D80Confident79.7Confident41 Ų4176.3 Ų76.322%0.21941%0.408CS..  trans-68.1117.2176.8-75.3-22.2000110.6C334 K337 K396 Y416D332-C334 PolarHBondContact O-N 2.95Å; D332-K337 HydrophobicContact CB-CG 3.99Å; D332-K337 WeakPolarHBondContact OD1-CE 3.06Å; D332-K337 IonicContact OD1-NZ 2.85Å; D332-K337 WeakPolarHBondContact OD2-CE 3.25Å; D332-K337 IonicContact OD2-NZ 3.95Å; D332-K396 WeakPolarHBondContact OD1-CE 2.96Å; D332-K396 IonicContact OD1-NZ 3.15Å; D332-K396 PolarHBondContact OD1-NZ 2.91Å; D332-Y416 HydrophobicContact CB-CD2 3.92Å; D332-Y416 HydrophobicContact CB-CE2 3.84Å
333V81.7Confident79Confident92 Ų9281.4 Ų81.456%0.55841%0.411SS*.  trans-73.6113.1172-179.40000108.6A331 A335 S336 K337A331-V333 PolarHBondContact O-N 3.37Å; V333-A335 VanDerWaalsContact C-N 3.28Å; V333-A335 HydrophobicContact CG1-CB 4.46Å; V333-A335 PolarHBondContact O-N 3.31Å; V333-S336 WeakPolarHBondContact O-CA 3.37Å; V333-S336 WeakPolarHBondContact O-CB 2.9Å; V333-S336 PolarHBondContact O-N 3.28Å; V333-K337 PolarHBondContact O-N 3.17Å
334C75.4Confident78.2Confident57 Ų5780.1 Ų80.139%0.38541%0.405SS..Hα-helixtrans-48.5-47.4-177.51790000112.6D332 S336 K337 L338 Y416D332-C334 PolarHBondContact O-N 2.95Å; C334-S336 VanDerWaalsContact C-N 3.3Å; C334-S336 PolarHBondContact O-N 2.87Å; C334-K337 PolarHBondContact O-N 3.23Å; C334-L338 WeakPolarHBondContact O-CB 3.48Å; C334-L338 VanDerWaalsContact O-CG 3.31Å; C334-L338 WeakPolarHBondContact O-CG 3.28Å; C334-L338 PolarHBondContact O-N 2.99Å; C334-Y416 HydrophobicContact CB-CE2 4.46Å; C334-Y416 WeakPolarHBondContact CB-OH 3.24Å
335A75.1Confident77.2Confident50 Ų5082 Ų8241%0.41343%0.425SS..Hα-helixtrans-60.9-36.9178.700000113V333 R339V333-A335 VanDerWaalsContact C-N 3.28Å; V333-A335 HydrophobicContact CG1-CB 4.46Å; V333-A335 PolarHBondContact O-N 3.31Å; A335-R339 VanDerWaalsContact O-CG 3.27Å; A335-R339 WeakPolarHBondContact O-CG 3.46Å; A335-R339 PolarHBondContact O-N 3.3Å
336S80.3Confident76.6Confident65 Ų6582.5 Ų82.546%0.45544%0.436SS..Hα-helixtrans-70.5-43.8178-62.10000111.4V333 C334 R339 E340V333-S336 WeakPolarHBondContact O-CA 3.37Å; V333-S336 WeakPolarHBondContact O-CB 2.9Å; V333-S336 PolarHBondContact O-N 3.28Å; C334-S336 VanDerWaalsContact C-N 3.3Å; C334-S336 PolarHBondContact O-N 2.87Å; S336-R339 WeakPolarHBondContact O-CB 3.3Å; S336-R339 PolarHBondContact O-N 3.03Å; S336-E340 PolarHBondContact O-N 2.97Å
337K83.9Confident75.8Confident39 Ų3985.5 Ų85.517%0.1745%0.451CS..Hα-helixtrans-62.1-45174.1-72.7-68.1-170.11760111.8D332 V333 C334 R339 E340 W341 Y416D332-K337 HydrophobicContact CB-CG 3.99Å; D332-K337 WeakPolarHBondContact OD1-CE 3.06Å; D332-K337 IonicContact OD1-NZ 2.85Å; D332-K337 WeakPolarHBondContact OD2-CE 3.25Å; D332-K337 IonicContact OD2-NZ 3.95Å; V333-K337 PolarHBondContact O-N 3.17Å; C334-K337 PolarHBondContact O-N 3.23Å; K337-R339 VanDerWaalsContact C-N 3.3Å; K337-R339 PolarHBondContact O-N 3.14Å; K337-E340 IonicContact NZ-OE2 3.68Å; K337-E340 WeakPolarHBondContact O-CB 3.38Å; K337-E340 PolarHBondContact O-N 3.31Å; K337-E340 VanDerWaalsContact O-N 3.12Å; K337-W341 WeakPolarHBondContact O-CB 3.4Å; K337-W341 VanDerWaalsContact O-CG 3.22Å; K337-W341 PolarHBondContact O-N 3.44Å; K337-Y416 HydrophobicContact CB-CD2 4.17Å; K337-Y416 HydrophobicContact CG-CD2 3.87Å; K337-Y416 HydrophobicContact CG-CE2 4.44Å
338L77.2Confident75.3Confident72 Ų7281.9 Ų81.938%0.37744%0.439SS..Hα-helixtrans-58.9-39.7174-73.5172.9000112.4C334 R342C334-L338 WeakPolarHBondContact O-CB 3.48Å; C334-L338 VanDerWaalsContact O-CG 3.31Å; C334-L338 WeakPolarHBondContact O-CG 3.28Å; C334-L338 PolarHBondContact O-N 2.99Å; L338-R342 WeakPolarHBondContact O-CB 3.34Å; L338-R342 WeakPolarHBondContact O-CG 3.35Å; L338-R342 PolarHBondContact O-N 3.22Å
339R79.8Confident74.8Confident155 Ų15577.7 Ų77.759%0.58541%0.414SS*.Hα-helixtrans-65.8-42.9173.9-72.9173.6-166.41804.6111.8A335 S336 K337 W341 R343A335-R339 VanDerWaalsContact O-CG 3.27Å; A335-R339 WeakPolarHBondContact O-CG 3.46Å; A335-R339 PolarHBondContact O-N 3.3Å; S336-R339 WeakPolarHBondContact O-CB 3.3Å; S336-R339 PolarHBondContact O-N 3.03Å; K337-R339 VanDerWaalsContact C-N 3.3Å; K337-R339 PolarHBondContact O-N 3.14Å; R339-W341 VanDerWaalsContact C-N 3.34Å; R339-R343 WeakPolarHBondContact O-CG 3.42Å; R339-R343 PolarHBondContact O-N 3.13Å
340E79.5Confident75.2Confident67 Ų6777.9 Ų77.931%0.31340%0.404SS..Hα-helixtrans-60.4-43.9175.3-178179.3-165.900111.7S336 K337 R343 Q344 W414S336-E340 PolarHBondContact O-N 2.97Å; K337-E340 IonicContact NZ-OE2 3.68Å; K337-E340 WeakPolarHBondContact O-CB 3.38Å; K337-E340 PolarHBondContact O-N 3.31Å; K337-E340 VanDerWaalsContact O-N 3.12Å; E340-R343 PolarHBondContact O-N 2.77Å; E340-Q344 PolarHBondContact O-NE2 3.42Å; E340-Q344 VanDerWaalsContact O-NE2 3.13Å; E340-W414 PolarHBondContact OE1-NE1 2.77Å
341W83.2Confident75.5Confident31 Ų3172.8 Ų72.812%0.11738%0.381CS..Hα-helixtrans-65.5-44.3179.1-73.918.9000112K337 R339 R343 Q344 L350 W414 D419 L421K337-W341 WeakPolarHBondContact O-CB 3.4Å; K337-W341 VanDerWaalsContact O-CG 3.22Å; K337-W341 PolarHBondContact O-N 3.44Å; R339-W341 VanDerWaalsContact C-N 3.34Å; W341-R343 PolarHBondContact O-N 3.26Å; W341-Q344 WeakPolarHBondContact O-CB 3.45Å; W341-Q344 PolarHBondContact O-N 3.16Å; W341-Q344 VanDerWaalsContact O-N 3.1Å; W341-L350 HydrophobicContact CE3-CD1 4.23Å; W341-L350 HydrophobicContact CH2-CD1 3.71Å; W341-L350 HydrophobicContact CZ3-CD1 3.34Å; W341-W414 VanDerWaalsContact CZ2-O 3.32Å; W341-W414 WeakPolarHBondContact CZ2-O 3.24Å; W341-D419 HydrophobicContact CH2-CB 3.62Å; W341-D419 HydrophobicContact CZ3-CB 4.34Å; W341-L421 HydrophobicContact CB-CD2 3.66Å; W341-L421 HydrophobicContact CD2-CB 3.87Å; W341-L421 HydrophobicContact CD2-CD1 4.47Å; W341-L421 HydrophobicContact CD2-CD2 4.02Å; W341-L421 HydrophobicContact CD2-CG 4.35Å; W341-L421 HydrophobicContact CE3-CB 4.19Å; W341-L421 HydrophobicContact CE3-CD1 4.2Å; W341-L421 HydrophobicContact CG-CB 4.3Å; W341-L421 HydrophobicContact CG-CD2 3.64Å; W341-L421 HydrophobicContact CG-CG 4.47Å; W341-L421 HydrophobicContact CH2-CB 4.45Å; W341-L421 HydrophobicContact CZ2-CB 4.12Å; W341-L421 HydrophobicContact CZ3-CB 4.49Å
342R74.5Confident75.7Confident192 Ų19275.5 Ų75.573%0.72539%0.39SS*.Hα-helixtrans-61.3-27.5175.8-74.7171.8-175172.22.4113.2L338 Q344L338-R342 WeakPolarHBondContact O-CB 3.34Å; L338-R342 WeakPolarHBondContact O-CG 3.35Å; L338-R342 PolarHBondContact O-N 3.22Å; R342-Q344 VanDerWaalsContact C-N 3.28Å; R342-Q344 PolarHBondContact O-N 2.84Å
343R75.8Confident75.7Confident184 Ų18475.8 Ų75.869%0.69439%0.391SS*.THydrogen-bonded Turntrans-74.5-15177.2-72.5179.8-168.1114.4-5.3113.8R339 E340 W341 G345R339-R343 WeakPolarHBondContact O-CG 3.42Å; R339-R343 PolarHBondContact O-N 3.13Å; E340-R343 PolarHBondContact O-N 2.77Å; W341-R343 PolarHBondContact O-N 3.26Å; R343-G345 PolarHBondContact O-N 3.27Å
344Q72.3Confident75.5Confident37 Ų3778.1 Ų78.117%0.17339%0.394CS..THydrogen-bonded Turntrans-72.4-8.4179.2-55.5-48.3-39.700113.3E340 W341 R342 V348 W414 L421E340-Q344 PolarHBondContact O-NE2 3.42Å; E340-Q344 VanDerWaalsContact O-NE2 3.13Å; W341-Q344 WeakPolarHBondContact O-CB 3.45Å; W341-Q344 PolarHBondContact O-N 3.16Å; W341-Q344 VanDerWaalsContact O-N 3.1Å; R342-Q344 VanDerWaalsContact C-N 3.28Å; R342-Q344 PolarHBondContact O-N 2.84Å; Q344-V348 HydrophobicContact CB-CG1 3.46Å; Q344-V348 VanDerWaalsContact CB-CG1 3.46Å; Q344-V348 HydrophobicContact CG-CG1 4.4Å; Q344-W414 VanDerWaalsContact CD-CH2 3.49Å; Q344-W414 HydrophobicContact CG-CD2 4.08Å; Q344-W414 HydrophobicContact CG-CE3 3.99Å; Q344-W414 HydrophobicContact CG-CH2 3.97Å; Q344-W414 HydrophobicContact CG-CZ2 4.04Å; Q344-W414 HydrophobicContact CG-CZ3 3.93Å; Q344-L421 HydrophobicContact CB-CD2 4.3Å; Q344-L421 HydrophobicContact CG-CD2 3.95Å
345G68.5Low75.5Confident43 Ų4379.4 Ų79.444%0.44340%0.397SS..  trans83.4-171.4-179.600000112.6R343 N347 V348R343-G345 PolarHBondContact O-N 3.27Å; G345-N347 VanDerWaalsContact C-N 3.25Å; G345-N347 PolarHBondContact O-N 2.85Å; G345-V348 WeakPolarHBondContact O-CG2 3.34Å
346V65.3Low75.8Confident133 Ų13377.3 Ų77.381%0.80638%0.379SS*.SBendtrans-75.3-17.1-177.7-62.80000113.1V348V346-V348 PolarHBondContact O-N 2.73Å
347N66.3Low76.1Confident103 Ų10375.6 Ų75.655%0.55136%0.363SS*.SBendtrans-86.156.5-178.8-72.4-18000111.7G345 R423 V424G345-N347 VanDerWaalsContact C-N 3.25Å; G345-N347 PolarHBondContact O-N 2.85Å; N347-R423 CarbonylContact O-C 3.53Å; N347-R423 VanDerWaalsContact O-CA 3.25Å; N347-R423 WeakPolarHBondContact O-CA 3.4Å; N347-V424 VanDerWaalsContact C-CG2 3.44Å; N347-V424 VanDerWaalsContact CA-CB 3.48Å; N347-V424 VanDerWaalsContact CA-CG2 3.47Å; N347-V424 HydrophobicContact CB-CB 3.98Å; N347-V424 HydrophobicContact CB-CG2 4.44Å; N347-V424 PolarHBondContact O-N 3.26Å
348V68.5Low76Confident26 Ų2677 Ų7716%0.15837%0.372CS..EExtended strand (participates in β ladder)trans-137.1158169.9-64.50000113.5Q344 G345 V346 L421 L422 V424Q344-V348 HydrophobicContact CB-CG1 3.46Å; Q344-V348 VanDerWaalsContact CB-CG1 3.46Å; Q344-V348 HydrophobicContact CG-CG1 4.4Å; G345-V348 WeakPolarHBondContact O-CG2 3.34Å; V346-V348 PolarHBondContact O-N 2.73Å; V348-L421 HydrophobicContact CB-CD1 3.84Å; V348-L421 HydrophobicContact CB-CD2 4.12Å; V348-L421 HydrophobicContact CB-CG 3.88Å; V348-L421 HydrophobicContact CG1-CD2 4.03Å; V348-L421 HydrophobicContact CG1-CG 4.19Å; V348-L421 HydrophobicContact CG2-CD1 3.77Å; V348-L421 HydrophobicContact CG2-CD2 4.18Å; V348-L421 HydrophobicContact CG2-CG 4.2Å; V348-L422 CarbonylContact C-O 3.5Å; V348-L422 WeakPolarHBondContact CA-O 3.36Å; V348-L422 WeakPolarHBondContact CB-O 3.43Å; V348-V424 VanDerWaalsContact N-CG2 3.25Å; V348-V424 WeakPolarHBondContact O-CG2 3.42Å
349S68.4Low76.3Confident5 Ų578.9 Ų78.94%0.03538%0.379CS..EExtended strand (participates in β ladder)trans-143.9164.1160.5137.60000113.4L422 A427 R431S349-L422 PolarHBondContact N-O 2.95Å; S349-L422 PolarHBondContact O-N 2.81Å; S349-A427 VanDerWaalsContact C-CB 3.46Å; S349-A427 WeakPolarHBondContact O-CB 3.4Å; S349-A427 WeakPolarHBondContact OG-CA 3.28Å; S349-A427 WeakPolarHBondContact OG-CB 3.45Å; S349-A427 PolarHBondContact OG-O 2.77Å; S349-R431 VanDerWaalsContact CB-NH2 3.25Å; S349-R431 PolarHBondContact OG-NE 3.36Å
350L76.2Confident76.8Confident76 Ų7671.6 Ų71.640%0.39835%0.352SS..EExtended strand (participates in β ladder)trans-96.3134.9-170.1-163.766.7000110.8W341 D419 L421W341-L350 HydrophobicContact CE3-CD1 4.23Å; W341-L350 HydrophobicContact CH2-CD1 3.71Å; W341-L350 HydrophobicContact CZ3-CD1 3.34Å; L350-D419 HydrophobicContact CD1-CB 3.94Å; L350-L421 HydrophobicContact CD1-CD1 4.36Å
351I77.3Confident77.2Confident24 Ų2470.7 Ų70.712%0.12335%0.347CS..EExtended strand (participates in β ladder)trans-112.7105.2178.2-61.5-164000106.6L353 D419 V420 L422 K430I351-L353 HydrophobicContact CG2-CD2 4.16Å; I351-D419 CarbonylContact O-C 3.58Å; I351-D419 WeakPolarHBondContact O-CA 3.43Å; I351-V420 HydrophobicContact CB-CB 3.93Å; I351-V420 WeakPolarHBondContact CB-O 3.02Å; I351-V420 WeakPolarHBondContact CG1-O 3.1Å; I351-V420 HydrophobicContact CG2-CB 3.98Å; I351-V420 HydrophobicContact CG2-CG2 4.46Å; I351-V420 PolarHBondContact N-O 3.43Å; I351-V420 PolarHBondContact O-N 3.49Å; I351-L422 HydrophobicContact CD1-CB 3.87Å; I351-L422 HydrophobicContact CD1-CD2 3.34Å; I351-L422 HydrophobicContact CD1-CG 4.26Å; I351-L422 HydrophobicContact CG1-CB 4.23Å; I351-L422 HydrophobicContact CG1-CD2 4.36Å; I351-K430 VanDerWaalsContact C-NZ 3.27Å; I351-K430 HydrophobicContact CB-CD 3.48Å; I351-K430 VanDerWaalsContact CB-CD 3.48Å; I351-K430 HydrophobicContact CD1-CB 4.28Å; I351-K430 HydrophobicContact CD1-CD 3.56Å; I351-K430 HydrophobicContact CD1-CG 4.38Å; I351-K430 HydrophobicContact CG1-CB 4.28Å; I351-K430 HydrophobicContact CG1-CD 3.24Å; I351-K430 HydrophobicContact CG1-CG 4.32Å; I351-K430 HydrophobicContact CG2-CD 3.49Å; I351-K430 VanDerWaalsContact CG2-CD 3.49Å; I351-K430 VanDerWaalsContact CG2-CE 3.43Å
352D80.8Confident77.5Confident93 Ų9369.3 Ų69.350%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-81.8123.1169.1-179.392.5000110.1K430D352-K430 VanDerWaalsContact N-NZ 3.12Å; D352-K430 PolarHBondContact O-NZ 3.35Å
353L80.3Confident78.3Confident47 Ų4763.3 Ų63.325%0.24633%0.325CS..PPolyproline II helixtrans-85.5124.9174.5-64.6178.2000109.5I351 T356 M395 L399 D418 V420I351-L353 HydrophobicContact CG2-CD2 4.16Å; L353-T356 VanDerWaalsContact C-OG1 3.22Å; L353-T356 HydrophobicContact CB-CG2 4.41Å; L353-T356 WeakPolarHBondContact CB-OG1 3.13Å; L353-T356 HydrophobicContact CD1-CG2 4.49Å; L353-T356 PolarHBondContact O-OG1 3.3Å; L353-M395 HydrophobicContact CD1-CE 4.45Å; L353-L399 HydrophobicContact CD1-CD1 3.78Å; L353-L399 HydrophobicContact CD1-CD2 3.53Å; L353-L399 HydrophobicContact CD1-CG 4.26Å; L353-D418 HydrophobicContact CB-CB 4.43Å; L353-D418 WeakPolarHBondContact CB-O 3.3Å; L353-D418 VanDerWaalsContact CG-O 3.32Å; L353-D418 WeakPolarHBondContact CG-O 3.47Å; L353-D418 PolarHBondContact N-O 3.3Å; L353-V420 HydrophobicContact CD1-CG2 4.32Å
354K76.4Confident78.8Confident142 Ų14261.1 Ų61.162%0.61732%0.322SS*.THydrogen-bonded Turntrans-79.1134.6-176.6-167.9-175174.5-172.70110.9T356 Q359K354-T356 PolarHBondContact O-N 3.33Å; K354-T356 VanDerWaalsContact O-N 3.09Å; K354-Q359 PolarHBondContact O-NE2 3.36Å
355D75.3Confident79.5Confident84 Ų8462.5 Ų62.545%0.44934%0.34SS..THydrogen-bonded Turntrans51.935173.6-55.6-38.3000113.3Y357 L358 Q359D355-Y357 PolarHBondContact O-N 3.05Å; D355-L358 HydrophobicContact CB-CB 4.33Å; D355-L358 HydrophobicContact CB-CD1 4.35Å; D355-L358 WeakPolarHBondContact O-CA 3.19Å; D355-L358 WeakPolarHBondContact O-CB 3.45Å; D355-L358 PolarHBondContact O-N 2.77Å; D355-Q359 PolarHBondContact O-N 3.19Å
356T81.8Confident80.6Confident6 Ų661 Ų614%0.03732%0.322CS..G310 helixtrans-49.9-48.7-166.5-63.90000114.5L353 K354 L358 Q359 M395 D418L353-T356 VanDerWaalsContact C-OG1 3.22Å; L353-T356 HydrophobicContact CB-CG2 4.41Å; L353-T356 WeakPolarHBondContact CB-OG1 3.13Å; L353-T356 HydrophobicContact CD1-CG2 4.49Å; L353-T356 PolarHBondContact O-OG1 3.3Å; K354-T356 PolarHBondContact O-N 3.33Å; K354-T356 VanDerWaalsContact O-N 3.09Å; T356-L358 VanDerWaalsContact C-N 3.33Å; T356-L358 PolarHBondContact O-N 3.49Å; T356-Q359 WeakPolarHBondContact O-CB 3.36Å; T356-Q359 PolarHBondContact O-N 2.83Å; T356-M395 HydrophobicContact CG2-CE 3.21Å; T356-M395 HydrophobicContact CG2-CG 3.49Å; T356-M395 VanDerWaalsContact CG2-CG 3.49Å; T356-M395 HydrophobicContact CG2-SD 3.24Å; T356-M395 WeakPolarHBondContact CG2-SD 3.39Å; T356-D418 HydrophobicContact CG2-CB 4.08Å; T356-D418 WeakPolarHBondContact OG1-CB 3.4Å
357Y86.1Confident81.6Confident29 Ų2957.9 Ų57.911%0.11430%0.296CS..G310 helixtrans-66.6-34.9177.2-61.2-35.3000112.5D355 Q359 V360 L384 F386 A391 M395 I417D355-Y357 PolarHBondContact O-N 3.05Å; Y357-Q359 PolarHBondContact O-N 2.88Å; Y357-Q359 VanDerWaalsContact O-N 3.15Å; Y357-V360 PolarHBondContact O-N 3.48Å; Y357-L384 CarbonylContact C-O 3.6Å; Y357-L384 WeakPolarHBondContact CB-O 3.1Å; Y357-L384 HydrophobicContact CD1-CD2 4Å; Y357-L384 HydrophobicContact CG-CD2 4.4Å; Y357-L384 WeakPolarHBondContact O-CB 3.45Å; Y357-F386 AromaticContact CD2-CD1 3.36Å; Y357-F386 HydrophobicContact CD2-CD1 3.36Å; Y357-F386 AromaticContact CD2-CE1 3.43Å; Y357-F386 HydrophobicContact CD2-CE1 3.43Å; Y357-F386 VanDerWaalsContact CD2-CE1 3.43Å; Y357-F386 HydrophobicContact CD2-CG 4.04Å; Y357-F386 HydrophobicContact CD2-CZ 4.19Å; Y357-F386 AromaticContact CE2-CD1 3.83Å; Y357-F386 HydrophobicContact CE2-CD1 3.83Å; Y357-F386 HydrophobicContact CE2-CE1 4.03Å; Y357-F386 HydrophobicContact CG-CD1 4.46Å; Y357-F386 HydrophobicContact CG-CE1 4.24Å; Y357-A391 HydrophobicContact CD1-CB 4.18Å; Y357-A391 HydrophobicContact CD2-CB 4.42Å; Y357-A391 HydrophobicContact CE1-CB 4.01Å; Y357-A391 WeakPolarHBondContact CE1-O 3.44Å; Y357-A391 HydrophobicContact CE2-CB 4.29Å; Y357-A391 HydrophobicContact CG-CB 4.39Å; Y357-M395 HydrophobicContact CD1-CB 4.16Å; Y357-M395 HydrophobicContact CD1-CG 4.46Å; Y357-M395 HydrophobicContact CE1-CB 3.78Å; Y357-M395 HydrophobicContact CE1-CG 4.3Å; Y357-I417 HydrophobicContact CE1-CG2 4.11Å; Y357-I417 VanDerWaalsContact OH-CG2 3.3Å; Y357-I417 WeakPolarHBondContact OH-CG2 3.26Å
358L83.6Confident82.6Confident67 Ų6754 Ų5435%0.35128%0.276SS..G310 helixtrans-70.5-10.3180-58.1179.7000113.4D355 T356 R383 F386D355-L358 HydrophobicContact CB-CB 4.33Å; D355-L358 HydrophobicContact CB-CD1 4.35Å; D355-L358 WeakPolarHBondContact O-CA 3.19Å; D355-L358 WeakPolarHBondContact O-CB 3.45Å; D355-L358 PolarHBondContact O-N 2.77Å; T356-L358 VanDerWaalsContact C-N 3.33Å; T356-L358 PolarHBondContact O-N 3.49Å; L358-R383 HydrophobicContact CD2-CB 4.15Å; L358-R383 WeakPolarHBondContact O-CD 3.26Å; L358-R383 VanDerWaalsContact O-CG 3.31Å; L358-R383 WeakPolarHBondContact O-CG 3.4Å; L358-F386 HydrophobicContact CD1-CE2 4.04Å; L358-F386 HydrophobicContact CD2-CE2 4.25Å; L358-F386 HydrophobicContact CG-CE2 3.8Å
359Q82.8Confident83.5Confident112 Ų11253 Ų5352%0.52327%0.269SS..G310 helixtrans-79.1-19.7172.3-56.4-171.333.200112.7K354 D355 T356 Y357K354-Q359 PolarHBondContact O-NE2 3.36Å; D355-Q359 PolarHBondContact O-N 3.19Å; T356-Q359 WeakPolarHBondContact O-CB 3.36Å; T356-Q359 PolarHBondContact O-N 2.83Å; Y357-Q359 PolarHBondContact O-N 2.88Å; Y357-Q359 VanDerWaalsContact O-N 3.15Å
360V89.2Confident84.4Confident2 Ų252.9 Ų52.91%0.01227%0.268CS..SBendtrans-96.1124.4-179.8-175.50000109.4W251 A253 Y357 R383 L384 V394 M395W251-V360 HydrophobicContact CB-CG1 4.2Å; A253-V360 HydrophobicContact CB-CG1 3.94Å; Y357-V360 PolarHBondContact O-N 3.48Å; V360-R383 CarbonylContact O-C 3.43Å; V360-R383 VanDerWaalsContact O-CA 3.24Å; V360-R383 WeakPolarHBondContact O-CA 3.3Å; V360-R383 WeakPolarHBondContact O-CD 3.37Å; V360-L384 HydrophobicContact CB-CB 4.22Å; V360-L384 HydrophobicContact CB-CD2 4.4Å; V360-L384 PolarHBondContact O-N 3.34Å; V360-V394 HydrophobicContact CG1-CG1 4.14Å; V360-M395 HydrophobicContact CG2-SD 4.28Å
361H89.7Confident84.8Confident48 Ų4849.2 Ų49.222%0.22225%0.249CC..EExtended strand (participates in β ladder)trans-72.5155.6174.1-65.760.4000110.5W251 T252 A253 T382 R383W251-H361 WeakPolarHBondContact O-CB 3.25Å; W251-H361 PolarHBondContact O-N 2.97Å; T252-H361 CarbonylContact C-O 3.53Å; T252-H361 WeakPolarHBondContact CA-O 3.49Å; T252-H361 HydrophobicContact CG2-CB 4.41Å; A253-H361 PolarHBondContact N-O 3.45Å; H361-T382 WeakPolarHBondContact CA-O 3.33Å; H361-R383 PolarHBondContact CD2-NH1 3.47Å; H361-R383 PolarHBondContact CE1-NH2 2.92Å; H361-R383 PolarHBondContact NE2-NH1 3.23Å; H361-R383 VanDerWaalsContact NE2-NH1 3.13Å; H361-R383 PolarHBondContact NE2-NH2 2.89Å
362V88.6Confident84.9Confident2 Ų249.1 Ų49.11%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-107.1143.7169.3170.70000108.7A253 W255 L366 W367 T382 R383 L384A253-V362 WeakPolarHBondContact O-CA 3.19Å; W255-V362 HydrophobicContact CE3-CG1 4.48Å; W255-V362 HydrophobicContact CH2-CG1 3.93Å; W255-V362 HydrophobicContact CZ3-CG1 3.55Å; W255-V362 HydrophobicContact CZ3-CG2 4.19Å; V362-L366 HydrophobicContact CG1-CB 3.73Å; V362-L366 HydrophobicContact CG1-CD1 4.22Å; V362-W367 PolarHBondContact O-NE1 3.43Å; V362-T382 PolarHBondContact N-O 2.81Å; V362-R383 VanDerWaalsContact CG2-C 3.48Å; V362-R383 WeakPolarHBondContact CG2-O 3.49Å; V362-L384 HydrophobicContact CG2-CB 4.39Å; V362-L384 HydrophobicContact CG2-CD1 4.26Å
363D90.5Very high84.8Confident66 Ų6645.2 Ų45.235%0.35323%0.228SC..  trans-55.8137.4174.9-172.8-78.3000111.8T252 A253 A254 A365 L366 W367T252-D363 HydrophobicContact CG2-CB 4.26Å; A253-D363 PolarHBondContact O-N 3.37Å; A254-D363 HydrophobicContact CB-CB 3.84Å; D363-A365 PolarHBondContact O-N 3.42Å; D363-A365 VanDerWaalsContact O-N 3.13Å; D363-A365 VanDerWaalsContact OD1-CB 3.24Å; D363-A365 WeakPolarHBondContact OD1-CB 3.42Å; D363-A365 PolarHBondContact OD1-N 3.36Å; D363-L366 HydrophobicContact CB-CD1 4.32Å; D363-L366 WeakPolarHBondContact O-CB 3.49Å; D363-L366 PolarHBondContact O-N 2.95Å; D363-W367 VanDerWaalsContact O-CD1 3.25Å
364E86.4Confident84.5Confident139 Ų13943.5 Ų43.565%0.6522%0.22SC*.G310 helixtrans-58.2-30.7-173.6-54.5-163.6164.500113L366 W367E364-L366 PolarHBondContact O-N 2.86Å; E364-L366 VanDerWaalsContact O-N 3.13Å; E364-W367 HydrophobicContact CB-CD2 4.28Å; E364-W367 HydrophobicContact CB-CE3 4.44Å; E364-W367 HydrophobicContact CB-CH2 4.43Å; E364-W367 HydrophobicContact CB-CZ2 4.29Å; E364-W367 HydrophobicContact CG-CD2 4.48Å; E364-W367 HydrophobicContact CG-CH2 3.72Å; E364-W367 HydrophobicContact CG-CZ2 3.61Å; E364-W367 HydrophobicContact CG-CZ3 4.22Å; E364-W367 PolarHBondContact O-N 2.89Å
365A88.5Confident84.5Confident66 Ų6643.9 Ų43.955%0.54522%0.222SC..G310 helixtrans-63.8-19.8178.700000113.1D363D363-A365 PolarHBondContact O-N 3.42Å; D363-A365 VanDerWaalsContact O-N 3.13Å; D363-A365 VanDerWaalsContact OD1-CB 3.24Å; D363-A365 WeakPolarHBondContact OD1-CB 3.42Å; D363-A365 PolarHBondContact OD1-N 3.36Å
366L89.8Confident84.5Confident12 Ų1242.8 Ų42.86%0.06323%0.23CC..G310 helixtrans-100.9-14.2-175.8-61.9174.5000113.4A254 W255 W257 V362 D363 E364 P368 Y369A254-L366 HydrophobicContact CB-CD1 3.98Å; W255-L366 HydrophobicContact CD2-CD1 3.65Å; W255-L366 HydrophobicContact CD2-CD2 4.39Å; W255-L366 HydrophobicContact CD2-CG 4.48Å; W255-L366 HydrophobicContact CE3-CD1 3.68Å; W255-L366 HydrophobicContact CG-CD1 4.22Å; W255-L366 HydrophobicContact CH2-CB 3.57Å; W255-L366 HydrophobicContact CH2-CD1 4.06Å; W255-L366 HydrophobicContact CH2-CG 4.28Å; W255-L366 HydrophobicContact CZ2-CB 3.65Å; W255-L366 HydrophobicContact CZ2-CD1 4.03Å; W255-L366 HydrophobicContact CZ2-CD2 3.89Å; W255-L366 HydrophobicContact CZ2-CG 4.06Å; W255-L366 HydrophobicContact CZ3-CB 4.12Å; W255-L366 HydrophobicContact CZ3-CD1 3.89Å; W257-L366 HydrophobicContact CZ2-CD2 3.7Å; V362-L366 HydrophobicContact CG1-CB 3.73Å; V362-L366 HydrophobicContact CG1-CD1 4.22Å; D363-L366 HydrophobicContact CB-CD1 4.32Å; D363-L366 WeakPolarHBondContact O-CB 3.49Å; D363-L366 PolarHBondContact O-N 2.95Å; E364-L366 PolarHBondContact O-N 2.86Å; E364-L366 VanDerWaalsContact O-N 3.13Å; L366-P368 VanDerWaalsContact C-N 3.32Å; L366-Y369 PolarHBondContact O-N 3.3Å
367W87.7Confident84.2Confident67 Ų6750.1 Ų50.125%0.25426%0.257SS..G310 helixtrans-52.9-40.3178.2-64.70.4000114.1V362 D363 E364 Y369 Q370 C380 T382V362-W367 PolarHBondContact O-NE1 3.43Å; D363-W367 VanDerWaalsContact O-CD1 3.25Å; E364-W367 HydrophobicContact CB-CD2 4.28Å; E364-W367 HydrophobicContact CB-CE3 4.44Å; E364-W367 HydrophobicContact CB-CH2 4.43Å; E364-W367 HydrophobicContact CB-CZ2 4.29Å; E364-W367 HydrophobicContact CG-CD2 4.48Å; E364-W367 HydrophobicContact CG-CH2 3.72Å; E364-W367 HydrophobicContact CG-CZ2 3.61Å; E364-W367 HydrophobicContact CG-CZ3 4.22Å; E364-W367 PolarHBondContact O-N 2.89Å; W367-Y369 PolarHBondContact O-N 2.76Å; W367-Y369 VanDerWaalsContact O-N 3.1Å; W367-Q370 CarbonylContact O-C 3.51Å; W367-Q370 PolarHBondContact O-N 2.92Å; W367-C380 HydrophobicContact CB-CB 4.2Å; W367-T382 HydrophobicContact CD2-CG2 3.96Å; W367-T382 HydrophobicContact CE3-CG2 4.16Å; W367-T382 HydrophobicContact CH2-CG2 4.06Å; W367-T382 HydrophobicContact CZ2-CG2 3.82Å; W367-T382 HydrophobicContact CZ3-CG2 4.22Å
368P87.1Confident83.8Confident21 Ų2155.2 Ų55.214%0.13628%0.276CS..G310 helixtrans-60.4-23.2179.6-27.137.8000114.4P293 K295 G296 L366 Q370 T371P293-P368 WeakPolarHBondContact O-CA 3.4Å; P293-P368 WeakPolarHBondContact O-CB 3.32Å; K295-P368 HydrophobicContact CB-CB 3.73Å; K295-P368 HydrophobicContact CD-CB 3.92Å; K295-P368 HydrophobicContact CG-CB 3.57Å; K295-P368 PolarHBondContact N-O 3.25Å; G296-P368 PolarHBondContact N-O 2.71Å; L366-P368 VanDerWaalsContact C-N 3.32Å; P368-Q370 VanDerWaalsContact C-N 3.35Å; P368-T371 PolarHBondContact O-OG1 2.94Å
369Y88.1Confident83.3Confident5 Ų553.7 Ų53.72%0.0227%0.266CS..G310 helixtrans-84.8-8.7177.4-61.4-82.4000113.4W257 P263 L266 K295 I298 L366 W367W257-Y369 AromaticContact CH2-CD1 3.75Å; W257-Y369 HydrophobicContact CH2-CD1 3.75Å; W257-Y369 AromaticContact CH2-CD2 3.76Å; W257-Y369 HydrophobicContact CH2-CD2 3.76Å; W257-Y369 AromaticContact CH2-CE1 3.9Å; W257-Y369 HydrophobicContact CH2-CE1 3.9Å; W257-Y369 AromaticContact CH2-CE2 3.9Å; W257-Y369 HydrophobicContact CH2-CE2 3.9Å; W257-Y369 AromaticContact CH2-CG 3.67Å; W257-Y369 HydrophobicContact CH2-CG 3.67Å; W257-Y369 AromaticContact CH2-CZ 3.96Å; W257-Y369 HydrophobicContact CZ2-CD1 4.37Å; W257-Y369 AromaticContact CZ2-CD2 3.72Å; W257-Y369 HydrophobicContact CZ2-CD2 3.72Å; W257-Y369 HydrophobicContact CZ2-CE1 4.23Å; W257-Y369 AromaticContact CZ2-CE2 3.53Å; W257-Y369 HydrophobicContact CZ2-CE2 3.53Å; W257-Y369 HydrophobicContact CZ2-CG 4.13Å; W257-Y369 AromaticContact CZ2-CZ 3.79Å; P263-Y369 HydrophobicContact CG-CD1 4.36Å; P263-Y369 HydrophobicContact CG-CE1 3.81Å; P263-Y369 VanDerWaalsContact O-CE1 3.29Å; P263-Y369 WeakPolarHBondContact O-CE1 3.48Å; P263-Y369 PolarHBondContact O-OH 3Å; L266-Y369 HydrophobicContact CD2-CD1 4.41Å; L266-Y369 HydrophobicContact CG-CD1 4.22Å; K295-Y369 HydrophobicContact CB-CD1 4.04Å; K295-Y369 HydrophobicContact CB-CE1 3.88Å; K295-Y369 HydrophobicContact CB-CG 4.44Å; K295-Y369 HydrophobicContact CD-CE1 4.11Å; K295-Y369 HydrophobicContact CD-CE2 3.79Å; I298-Y369 WeakPolarHBondContact CG1-O 3.38Å; L366-Y369 PolarHBondContact O-N 3.3Å; W367-Y369 PolarHBondContact O-N 2.76Å; W367-Y369 VanDerWaalsContact O-N 3.1Å
370Q85.8Confident83.1Confident2 Ų248.6 Ų48.61%0.00924%0.243CC..SBendtrans-113.847176.4-57.2-169.295.700110.9W255 F317 L320 W367 P368 C380 L381W255-Q370 HydrophobicContact CH2-CG 3.85Å; F317-Q370 HydrophobicContact CE1-CG 4.16Å; L320-Q370 HydrophobicContact CD2-CG 4.37Å; W367-Q370 CarbonylContact O-C 3.51Å; W367-Q370 PolarHBondContact O-N 2.92Å; P368-Q370 VanDerWaalsContact C-N 3.35Å; Q370-C380 WeakPolarHBondContact O-CA 3.14Å; Q370-L381 HydrophobicContact CB-CB 4Å; Q370-L381 PolarHBondContact NE2-O 2.84Å; Q370-L381 PolarHBondContact O-N 3.36Å
371T84.2Confident82.6Confident0 Ų050.6 Ų50.60%025%0.253CS..EExtended strand (participates in β ladder)trans-97.9133.2-177.3-49.50000111.1A294 G296 L297 I298 P368 R378 Y379 C380A294-T371 WeakPolarHBondContact CA-OG1 3.33Å; A294-T371 HydrophobicContact CB-CG2 3.66Å; G296-T371 WeakPolarHBondContact O-CB 3.34Å; L297-T371 CarbonylContact C-O 3.59Å; L297-T371 VanDerWaalsContact CA-O 3.31Å; L297-T371 WeakPolarHBondContact CA-O 3.48Å; L297-T371 HydrophobicContact CD2-CG2 4.39Å; I298-T371 PolarHBondContact N-O 2.75Å; P368-T371 PolarHBondContact O-OG1 2.94Å; T371-R378 HydrophobicContact CG2-CB 4.08Å; T371-Y379 CarbonylContact C-O 3.58Å; T371-Y379 VanDerWaalsContact CA-O 3.25Å; T371-Y379 WeakPolarHBondContact CA-O 3.35Å; T371-Y379 WeakPolarHBondContact CG2-O 3.43Å; T371-C380 PolarHBondContact OG1-SG 3.31Å
372V79.6Confident82.2Confident21 Ų2149.5 Ų49.513%0.12725%0.25CC..EExtended strand (participates in β ladder)trans-111.2149.8171.6-52.70000110I298 L315 V374 R378 Y379I298-V372 VanDerWaalsContact O-CG1 3.26Å; I298-V372 WeakPolarHBondContact O-CG1 3.3Å; L315-V372 HydrophobicContact CD2-CG1 3.33Å; V372-V374 HydrophobicContact CG2-CG2 4.22Å; V372-R378 CarbonylContact O-C 3.58Å; V372-R378 VanDerWaalsContact O-CA 3.29Å; V372-R378 WeakPolarHBondContact O-CA 3.19Å; V372-Y379 HydrophobicContact CG2-CD2 4.18Å; V372-Y379 PolarHBondContact N-O 2.68Å; V372-Y379 PolarHBondContact O-N 3.25Å
373E80.1Confident82.1Confident11 Ų1153 Ų535%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-119.1105172-169.6174.2137.800110.1K271 L297 R377 R378K271-E373 CarbonylContact C-O 3.53Å; K271-E373 HydrophobicContact CB-CB 4.08Å; K271-E373 HydrophobicContact CB-CG 4.46Å; K271-E373 HydrophobicContact CD-CG 4.31Å; K271-E373 WeakPolarHBondContact CD-OE1 3.32Å; K271-E373 WeakPolarHBondContact CE-OE1 3.41Å; K271-E373 HydrophobicContact CG-CB 4.2Å; K271-E373 HydrophobicContact CG-CG 4.32Å; K271-E373 IonicContact NZ-OE1 3.55Å; K271-E373 PolarHBondContact NZ-OE1 3.36Å; K271-E373 VanDerWaalsContact O-O 3.13Å; L297-E373 HydrophobicContact CD2-CB 4.2Å; E373-R377 CarbonylContact C-O 3.6Å; E373-R377 WeakPolarHBondContact CA-O 3.31Å; E373-R378 HydrophobicContact CB-CG 4.19Å; E373-R378 HydrophobicContact CG-CG 3.99Å; E373-R378 IonicContact OE2-CZ 3.64Å; E373-R378 IonicContact OE2-NE 2.73Å; E373-R378 PolarHBondContact OE2-NE 3.05Å; E373-R378 IonicContact OE2-NH2 3.29Å
374V73.5Confident82Confident12 Ų1249.9 Ų49.97%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-114.8126.5-178.61790000108.8L287 V372 G376 R377 Y379L287-V374 HydrophobicContact CD1-CG1 4Å; V372-V374 HydrophobicContact CG2-CG2 4.22Å; V374-G376 PolarHBondContact O-N 2.98Å; V374-G376 VanDerWaalsContact O-N 3.17Å; V374-R377 PolarHBondContact N-O 3.42Å; V374-R377 PolarHBondContact O-N 2.78Å; V374-Y379 HydrophobicContact CB-CD2 4.42Å; V374-Y379 HydrophobicContact CB-CE2 4.09Å
375K75.9Confident81.8Confident150 Ų15043.3 Ų43.365%0.65222%0.216SC*.THydrogen-bonded Turntrans50.339.3-179.1-61.5178.7-179.6-1780113.3E284 R377E284-K375 VanDerWaalsContact CD-NZ 3.29Å; E284-K375 WeakPolarHBondContact OE1-CE 3.34Å; E284-K375 IonicContact OE1-NZ 2.81Å; E284-K375 PolarHBondContact OE1-NZ 3.13Å; E284-K375 IonicContact OE2-NZ 2.67Å; K375-R377 PolarHBondContact O-N 2.82Å
376G76.2Confident81.6Confident61 Ų6144.9 Ų44.963%0.62921%0.21SC*.THydrogen-bonded Turntrans745.5-179.900000115.2V374V374-G376 PolarHBondContact O-N 2.98Å; V374-G376 VanDerWaalsContact O-N 3.17Å
377R74.5Confident81.3Confident159 Ų15946.4 Ų46.460%0.623%0.229SC*.EExtended strand (participates in β ladder)trans-106.7136.6173.9-66.7-178.5178.5-174.82.3109.8E373 V374 K375 Y379E373-R377 CarbonylContact C-O 3.6Å; E373-R377 WeakPolarHBondContact CA-O 3.31Å; V374-R377 PolarHBondContact N-O 3.42Å; V374-R377 PolarHBondContact O-N 2.78Å; K375-R377 PolarHBondContact O-N 2.82Å; R377-Y379 HydrophobicContact CB-CD2 4.5Å; R377-Y379 HydrophobicContact CB-CE1 4.42Å; R377-Y379 HydrophobicContact CB-CE2 3.57Å; R377-Y379 WeakPolarHBondContact CB-OH 3.35Å; R377-Y379 WeakPolarHBondContact CD-OH 3.07Å; R377-Y379 WeakPolarHBondContact O-CD2 3.43Å; R377-Y379 VanDerWaalsContact O-CE2 3.31Å; R377-Y379 WeakPolarHBondContact O-CE2 3.41Å
378R77.9Confident81.4Confident136 Ų13643.4 Ų43.451%0.51322%0.218SC..EExtended strand (participates in β ladder)trans-94.4137.7178.2-68.7-179.5-177.6166.5-0.7111.2T371 V372 E373T371-R378 HydrophobicContact CG2-CB 4.08Å; V372-R378 CarbonylContact O-C 3.58Å; V372-R378 VanDerWaalsContact O-CA 3.29Å; V372-R378 WeakPolarHBondContact O-CA 3.19Å; E373-R378 HydrophobicContact CB-CG 4.19Å; E373-R378 HydrophobicContact CG-CG 3.99Å; E373-R378 IonicContact OE2-CZ 3.64Å; E373-R378 IonicContact OE2-NE 2.73Å; E373-R378 PolarHBondContact OE2-NE 3.05Å; E373-R378 IonicContact OE2-NH2 3.29Å
379Y74Confident81.5Confident36 Ų3644.6 Ų44.614%0.14122%0.223CC..EExtended strand (participates in β ladder)trans-135.2138.4178.5-49.2-88.6000112.1N289 V290 T371 V372 V374 R377N289-Y379 HydrophobicContact CB-CE1 4.13Å; N289-Y379 WeakPolarHBondContact OD1-CE1 3.27Å; N289-Y379 PolarHBondContact OD1-OH 3.42Å; V290-Y379 VanDerWaalsContact N-CD1 3.28Å; V290-Y379 WeakPolarHBondContact O-CA 3.4Å; V290-Y379 WeakPolarHBondContact O-CB 3.45Å; V290-Y379 WeakPolarHBondContact O-CD1 3.31Å; T371-Y379 CarbonylContact C-O 3.58Å; T371-Y379 VanDerWaalsContact CA-O 3.25Å; T371-Y379 WeakPolarHBondContact CA-O 3.35Å; T371-Y379 WeakPolarHBondContact CG2-O 3.43Å; V372-Y379 HydrophobicContact CG2-CD2 4.18Å; V372-Y379 PolarHBondContact N-O 2.68Å; V372-Y379 PolarHBondContact O-N 3.25Å; V374-Y379 HydrophobicContact CB-CD2 4.42Å; V374-Y379 HydrophobicContact CB-CE2 4.09Å; R377-Y379 HydrophobicContact CB-CD2 4.5Å; R377-Y379 HydrophobicContact CB-CE1 4.42Å; R377-Y379 HydrophobicContact CB-CE2 3.57Å; R377-Y379 WeakPolarHBondContact CB-OH 3.35Å; R377-Y379 WeakPolarHBondContact CD-OH 3.07Å; R377-Y379 WeakPolarHBondContact O-CD2 3.43Å; R377-Y379 VanDerWaalsContact O-CE2 3.31Å; R377-Y379 WeakPolarHBondContact O-CE2 3.41Å
380C77Confident81.7Confident5 Ų544.4 Ų44.43%0.03422%0.223CC..EExtended strand (participates in β ladder)trans-105.7133.3177.3-62.70000110.5V290 G292 W367 Q370 T371 T382V290-C380 WeakPolarHBondContact CG1-O 3.26Å; V290-C380 PolarHBondContact O-N 3.41Å; G292-C380 VanDerWaalsContact CA-SG 3.55Å; W367-C380 HydrophobicContact CB-CB 4.2Å; Q370-C380 WeakPolarHBondContact O-CA 3.14Å; T371-C380 PolarHBondContact OG1-SG 3.31Å; C380-T382 PolarHBondContact O-N 3.09Å
381L79.2Confident81.9Confident43 Ų4344.3 Ų44.323%0.22522%0.222CC..  trans-77.3115.6172.2-168.572000110L315 Q370 R383L315-L381 HydrophobicContact CD1-CD2 3.75Å; Q370-L381 HydrophobicContact CB-CB 4Å; Q370-L381 PolarHBondContact NE2-O 2.84Å; Q370-L381 PolarHBondContact O-N 3.36Å; L381-R383 VanDerWaalsContact C-N 3.31Å; L381-R383 VanDerWaalsContact CD2-O 3.31Å; L381-R383 WeakPolarHBondContact CD2-O 3.47Å; L381-R383 WeakPolarHBondContact CG-O 3.28Å
382T82.1Confident82.2Confident25 Ų2546.5 Ų46.515%0.15324%0.237CC..  trans-90.32.9-179.959.80000113.2V290 H361 V362 W367 C380V290-T382 HydrophobicContact CG1-CG2 3.89Å; H361-T382 WeakPolarHBondContact CA-O 3.33Å; V362-T382 PolarHBondContact N-O 2.81Å; W367-T382 HydrophobicContact CD2-CG2 3.96Å; W367-T382 HydrophobicContact CE3-CG2 4.16Å; W367-T382 HydrophobicContact CH2-CG2 4.06Å; W367-T382 HydrophobicContact CZ2-CG2 3.82Å; W367-T382 HydrophobicContact CZ3-CG2 4.22Å; C380-T382 PolarHBondContact O-N 3.09Å
383R87Confident82.8Confident76 Ų7646.5 Ų46.529%0.28724%0.236SC..BIsolated β-bridgetrans-123.7167.1-178.4-58.3-62.7-173.8-95.94.4110.2L358 V360 H361 V362 L381 G385L358-R383 HydrophobicContact CD2-CB 4.15Å; L358-R383 WeakPolarHBondContact O-CD 3.26Å; L358-R383 VanDerWaalsContact O-CG 3.31Å; L358-R383 WeakPolarHBondContact O-CG 3.4Å; V360-R383 CarbonylContact O-C 3.43Å; V360-R383 VanDerWaalsContact O-CA 3.24Å; V360-R383 WeakPolarHBondContact O-CA 3.3Å; V360-R383 WeakPolarHBondContact O-CD 3.37Å; H361-R383 PolarHBondContact CD2-NH1 3.47Å; H361-R383 PolarHBondContact CE1-NH2 2.92Å; H361-R383 PolarHBondContact NE2-NH1 3.23Å; H361-R383 VanDerWaalsContact NE2-NH1 3.13Å; H361-R383 PolarHBondContact NE2-NH2 2.89Å; V362-R383 VanDerWaalsContact CG2-C 3.48Å; V362-R383 WeakPolarHBondContact CG2-O 3.49Å; L381-R383 VanDerWaalsContact C-N 3.31Å; L381-R383 VanDerWaalsContact CD2-O 3.31Å; L381-R383 WeakPolarHBondContact CD2-O 3.47Å; L381-R383 WeakPolarHBondContact CG-O 3.28Å; R383-G385 PolarHBondContact O-N 2.92Å
384L87.2Confident83.4Confident1 Ų146 Ų461%0.00523%0.234CC..  trans-68.1114.9178.1-164.769.3000109.6Y357 V360 V362 L388 A391 V394Y357-L384 CarbonylContact C-O 3.6Å; Y357-L384 WeakPolarHBondContact CB-O 3.1Å; Y357-L384 HydrophobicContact CD1-CD2 4Å; Y357-L384 HydrophobicContact CG-CD2 4.4Å; Y357-L384 WeakPolarHBondContact O-CB 3.45Å; V360-L384 HydrophobicContact CB-CB 4.22Å; V360-L384 HydrophobicContact CB-CD2 4.4Å; V360-L384 PolarHBondContact O-N 3.34Å; V362-L384 HydrophobicContact CG2-CB 4.39Å; V362-L384 HydrophobicContact CG2-CD1 4.26Å; L384-L388 HydrophobicContact CD1-CD2 3.78Å; L384-A391 HydrophobicContact CD1-CB 4.22Å; L384-A391 HydrophobicContact CD2-CB 3.66Å; L384-A391 HydrophobicContact CG-CB 3.74Å; L384-V394 HydrophobicContact CD2-CB 4.06Å; L384-V394 HydrophobicContact CD2-CG1 3.76Å
385G82.5Confident84.2Confident1 Ų146 Ų461%0.0123%0.232CC..  trans-79.1142.4-175.500000114.2R383 G387 L388R383-G385 PolarHBondContact O-N 2.92Å; G385-G387 PolarHBondContact O-N 2.96Å; G385-L388 PolarHBondContact O-N 3.01Å
386F83.3Confident85Confident98 Ų9841.7 Ų41.743%0.4321%0.214SC..THydrogen-bonded Turntrans-65.4121.8170.3-68.3-86000110.4F317 Y357 L358F317-F386 VanDerWaalsContact CD2-O 3.29Å; F317-F386 WeakPolarHBondContact CD2-O 3.36Å; F317-F386 VanDerWaalsContact CE2-O 3.23Å; F317-F386 WeakPolarHBondContact CE2-O 3.26Å; Y357-F386 AromaticContact CD2-CD1 3.36Å; Y357-F386 HydrophobicContact CD2-CD1 3.36Å; Y357-F386 AromaticContact CD2-CE1 3.43Å; Y357-F386 HydrophobicContact CD2-CE1 3.43Å; Y357-F386 VanDerWaalsContact CD2-CE1 3.43Å; Y357-F386 HydrophobicContact CD2-CG 4.04Å; Y357-F386 HydrophobicContact CD2-CZ 4.19Å; Y357-F386 AromaticContact CE2-CD1 3.83Å; Y357-F386 HydrophobicContact CE2-CD1 3.83Å; Y357-F386 HydrophobicContact CE2-CE1 4.03Å; Y357-F386 HydrophobicContact CG-CD1 4.46Å; Y357-F386 HydrophobicContact CG-CE1 4.24Å; L358-F386 HydrophobicContact CD1-CE2 4.04Å; L358-F386 HydrophobicContact CD2-CE2 4.25Å; L358-F386 HydrophobicContact CG-CE2 3.8Å
387G85.3Confident85.7Confident45 Ų4539.9 Ų39.946%0.46419%0.191SC..THydrogen-bonded Turntrans110.5-12.3-179.200000113.7F317 N321 G385 N389F317-G387 WeakPolarHBondContact CB-O 3.32Å; N321-G387 PolarHBondContact ND2-O 2.81Å; G385-G387 PolarHBondContact O-N 2.96Å; G387-N389 PolarHBondContact O-N 3.42Å
388L89Confident86.6Confident4 Ų432.5 Ų32.52%0.02116%0.163CC..  trans-67.1126.8168.9-166.273000109.7W255 F317 L320 N321 I324 L384 G385 V390 A391W255-L388 HydrophobicContact CD2-CD2 4.46Å; W255-L388 HydrophobicContact CE3-CD2 3.71Å; W255-L388 HydrophobicContact CZ3-CD2 3.8Å; F317-L388 HydrophobicContact CD1-CD1 3.96Å; F317-L388 HydrophobicContact CE1-CD1 4.21Å; L320-L388 HydrophobicContact CD2-CD1 3.77Å; L320-L388 HydrophobicContact CG-CD1 4.19Å; N321-L388 WeakPolarHBondContact OD1-CA 3.42Å; I324-L388 HydrophobicContact CD1-CD1 3.71Å; L384-L388 HydrophobicContact CD1-CD2 3.78Å; G385-L388 PolarHBondContact O-N 3.01Å; L388-V390 VanDerWaalsContact C-N 3.31Å; L388-V390 HydrophobicContact CD2-CG1 3.69Å; L388-V390 HydrophobicContact CG-CG1 4.03Å; L388-V390 PolarHBondContact O-N 2.67Å; L388-A391 HydrophobicContact CB-CB 4.35Å; L388-A391 WeakPolarHBondContact O-CB 3.02Å; L388-A391 PolarHBondContact O-N 2.81Å
389N89.6Confident87.2Confident45 Ų4526.7 Ų26.724%0.24114%0.142CC..THydrogen-bonded Turntrans-64.6-30.6-171.761.5-3000114.1N321 I324 T326 G387 P392N321-N389 HydrophobicContact CB-CB 4.26Å; N321-N389 PolarHBondContact O-ND2 2.78Å; N321-N389 PolarHBondContact OD1-N 3Å; N321-N389 PolarHBondContact OD1-OD1 3.39Å; I324-N389 WeakPolarHBondContact CG2-OD1 3.13Å; I324-N389 PolarHBondContact O-ND2 2.91Å; T326-N389 HydrophobicContact CG2-CB 3.87Å; T326-N389 WeakPolarHBondContact CG2-OD1 3.32Å; G387-N389 PolarHBondContact O-N 3.42Å; N389-P392 WeakPolarHBondContact O-CD 3.46Å
390V91.1Very high87.9Confident2 Ų228.5 Ų28.51%0.01216%0.16CC..THydrogen-bonded Turntrans-80.1-15.5179.978.40000113.5F240 W255 I324 T326 L388 P392 L393 V394F240-V390 HydrophobicContact CB-CG2 3.88Å; F240-V390 HydrophobicContact CD1-CG2 3.38Å; F240-V390 HydrophobicContact CE1-CG2 4.22Å; F240-V390 HydrophobicContact CG-CG2 3.9Å; W255-V390 HydrophobicContact CB-CG1 4.12Å; I324-V390 HydrophobicContact CG2-CB 4.39Å; T326-V390 HydrophobicContact CG2-CB 4.07Å; T326-V390 HydrophobicContact CG2-CG2 4.44Å; L388-V390 VanDerWaalsContact C-N 3.31Å; L388-V390 HydrophobicContact CD2-CG1 3.69Å; L388-V390 HydrophobicContact CG-CG1 4.03Å; L388-V390 PolarHBondContact O-N 2.67Å; V390-P392 VanDerWaalsContact C-CD 3.48Å; V390-L393 PolarHBondContact O-N 2.96Å; V390-L393 VanDerWaalsContact O-N 3.08Å; V390-V394 HydrophobicContact CG1-CG2 4.34Å; V390-V394 HydrophobicContact CG2-CG2 4.32Å; V390-V394 PolarHBondContact O-N 3.22Å; V390-V394 VanDerWaalsContact O-N 3.07Å
391A91.3Very high88.5Confident0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-57.8-39.9-172.500000114.9Y357 L384 L388 L393 V394 M395Y357-A391 HydrophobicContact CD1-CB 4.18Å; Y357-A391 HydrophobicContact CD2-CB 4.42Å; Y357-A391 HydrophobicContact CE1-CB 4.01Å; Y357-A391 WeakPolarHBondContact CE1-O 3.44Å; Y357-A391 HydrophobicContact CE2-CB 4.29Å; Y357-A391 HydrophobicContact CG-CB 4.39Å; L384-A391 HydrophobicContact CD1-CB 4.22Å; L384-A391 HydrophobicContact CD2-CB 3.66Å; L384-A391 HydrophobicContact CG-CB 3.74Å; L388-A391 HydrophobicContact CB-CB 4.35Å; L388-A391 WeakPolarHBondContact O-CB 3.02Å; L388-A391 PolarHBondContact O-N 2.81Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 3.11Å; A391-V394 PolarHBondContact O-N 3Å; A391-M395 PolarHBondContact O-N 2.66Å
392P90.2Very high88.9Confident46 Ų4630 Ų3030%0.29917%0.171SC..Hα-helixtrans-61-37.7175.4-23.434.1000113.5N389 V390 M395 K396 I417N389-P392 WeakPolarHBondContact O-CD 3.46Å; V390-P392 VanDerWaalsContact C-CD 3.48Å; P392-M395 PolarHBondContact O-N 3.19Å; P392-K396 WeakPolarHBondContact O-CB 3.19Å; P392-K396 PolarHBondContact O-N 2.98Å; P392-I417 HydrophobicContact CB-CD1 4.18Å; P392-I417 HydrophobicContact CB-CG1 4.45Å
393L91.3Very high89Confident21 Ų2130.2 Ų30.211%0.1117%0.171CC..Hα-helixtrans-71.8-44.1179.2-66.4174.7000111D239 F240 A331 V390 A391 M395 K396 T397D239-L393 VanDerWaalsContact OD2-CD1 3.22Å; D239-L393 WeakPolarHBondContact OD2-CD1 3.14Å; F240-L393 HydrophobicContact CD1-CB 4.4Å; F240-L393 HydrophobicContact CE1-CB 3.51Å; F240-L393 HydrophobicContact CE1-CD1 4.41Å; F240-L393 HydrophobicContact CZ-CB 3.96Å; A331-L393 HydrophobicContact CB-CD2 4.09Å; V390-L393 PolarHBondContact O-N 2.96Å; V390-L393 VanDerWaalsContact O-N 3.08Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 3.11Å; L393-M395 VanDerWaalsContact C-N 3.27Å; L393-M395 PolarHBondContact O-N 3.02Å; L393-K396 WeakPolarHBondContact O-CB 3.49Å; L393-K396 PolarHBondContact O-N 3.4Å; L393-T397 PolarHBondContact O-N 3.23Å; L393-T397 PolarHBondContact O-OG1 2.86Å
394V92.8Very high88.9Confident1 Ų128.8 Ų28.81%0.00617%0.173CC..Hα-helixtrans-52.9-48.9171.6169.30000110.3F240 V242 A253 V360 L384 V390 A391 T397 V398F240-V394 HydrophobicContact CB-CG2 4.3Å; F240-V394 HydrophobicContact CD1-CG2 4.28Å; F240-V394 HydrophobicContact CD2-CG2 3.63Å; F240-V394 HydrophobicContact CE2-CB 4.44Å; F240-V394 HydrophobicContact CE2-CG2 3.92Å; F240-V394 HydrophobicContact CG-CG2 3.81Å; F240-V394 HydrophobicContact CZ-CG2 4.36Å; V242-V394 HydrophobicContact CG2-CB 4.47Å; V242-V394 HydrophobicContact CG2-CG1 3.91Å; V242-V394 HydrophobicContact CG2-CG2 4.32Å; A253-V394 HydrophobicContact CB-CG1 3.75Å; A253-V394 HydrophobicContact CB-CG2 4.19Å; V360-V394 HydrophobicContact CG1-CG1 4.14Å; L384-V394 HydrophobicContact CD2-CB 4.06Å; L384-V394 HydrophobicContact CD2-CG1 3.76Å; V390-V394 HydrophobicContact CG1-CG2 4.34Å; V390-V394 HydrophobicContact CG2-CG2 4.32Å; V390-V394 PolarHBondContact O-N 3.22Å; V390-V394 VanDerWaalsContact O-N 3.07Å; A391-V394 PolarHBondContact O-N 3Å; V394-T397 PolarHBondContact O-N 3.21Å; V394-V398 HydrophobicContact CG1-CG2 4.47Å; V394-V398 WeakPolarHBondContact O-CG2 3.35Å; V394-V398 PolarHBondContact O-N 2.92Å
395M91.7Very high88.4Confident10 Ų1035.9 Ų35.95%0.04920%0.2CC..Hα-helixtrans-67.8-39.1-177.7-164.363.1-152.300112.9L353 T356 Y357 V360 A391 P392 L393 T397 V398 L399 I417L353-M395 HydrophobicContact CD1-CE 4.45Å; T356-M395 HydrophobicContact CG2-CE 3.21Å; T356-M395 HydrophobicContact CG2-CG 3.49Å; T356-M395 VanDerWaalsContact CG2-CG 3.49Å; T356-M395 HydrophobicContact CG2-SD 3.24Å; T356-M395 WeakPolarHBondContact CG2-SD 3.39Å; Y357-M395 HydrophobicContact CD1-CB 4.16Å; Y357-M395 HydrophobicContact CD1-CG 4.46Å; Y357-M395 HydrophobicContact CE1-CB 3.78Å; Y357-M395 HydrophobicContact CE1-CG 4.3Å; V360-M395 HydrophobicContact CG2-SD 4.28Å; A391-M395 PolarHBondContact O-N 2.66Å; P392-M395 PolarHBondContact O-N 3.19Å; L393-M395 VanDerWaalsContact C-N 3.27Å; L393-M395 PolarHBondContact O-N 3.02Å; M395-T397 VanDerWaalsContact C-N 3.32Å; M395-T397 PolarHBondContact O-N 3.07Å; M395-V398 HydrophobicContact CE-CG1 4.34Å; M395-V398 PolarHBondContact O-N 3.09Å; M395-L399 HydrophobicContact CE-CD1 4.04Å; M395-L399 HydrophobicContact CE-CD2 3.42Å; M395-L399 VanDerWaalsContact CE-CD2 3.42Å; M395-L399 HydrophobicContact CE-CG 3.39Å; M395-L399 HydrophobicContact CG-CD1 4.48Å; M395-L399 HydrophobicContact CG-CG 4.37Å; M395-L399 WeakPolarHBondContact O-CB 3.31Å; M395-L399 PolarHBondContact O-N 3.09Å; M395-I417 WeakPolarHBondContact CG-O 3.22Å
396K91.3Very high87.6Confident61 Ų6139.4 Ų39.427%0.26522%0.218SC..Hα-helixtrans-56.2-47.5172.4173.4179168.91660111E330 D332 P392 L393 S400E330-K396 PolarHBondContact O-NZ 3.39Å; D332-K396 WeakPolarHBondContact OD1-CE 2.96Å; D332-K396 IonicContact OD1-NZ 3.15Å; D332-K396 PolarHBondContact OD1-NZ 2.91Å; P392-K396 WeakPolarHBondContact O-CB 3.19Å; P392-K396 PolarHBondContact O-N 2.98Å; L393-K396 WeakPolarHBondContact O-CB 3.49Å; L393-K396 PolarHBondContact O-N 3.4Å; K396-S400 WeakPolarHBondContact O-CB 3.09Å; K396-S400 PolarHBondContact O-N 3.32Å
397T92.1Very high86.9Confident22 Ų2239 Ų3914%0.13523%0.225CC..Hα-helixtrans-64.1-45.4179.6-61.30000111.4F235 L393 V394 M395 C401F235-T397 HydrophobicContact CB-CG2 3.89Å; F235-T397 HydrophobicContact CD1-CG2 4.17Å; F235-T397 HydrophobicContact CD2-CG2 3.84Å; F235-T397 HydrophobicContact CE2-CG2 4.41Å; F235-T397 HydrophobicContact CG-CG2 3.69Å; L393-T397 PolarHBondContact O-N 3.23Å; L393-T397 PolarHBondContact O-OG1 2.86Å; V394-T397 PolarHBondContact O-N 3.21Å; M395-T397 VanDerWaalsContact C-N 3.32Å; M395-T397 PolarHBondContact O-N 3.07Å; T397-C401 WeakPolarHBondContact O-CB 3.41Å; T397-C401 PolarHBondContact O-N 2.87Å
398V92.3Very high85.9Confident5 Ų542.3 Ų42.33%0.0324%0.236CC..Hα-helixtrans-60.9-52.7177.3171.20000111.3V242 W251 V394 M395 S400 C401 V402V242-V398 HydrophobicContact CG1-CG2 3.78Å; W251-V398 HydrophobicContact CD2-CG1 4.06Å; W251-V398 HydrophobicContact CD2-CG2 4.04Å; W251-V398 HydrophobicContact CE3-CG2 4.11Å; W251-V398 HydrophobicContact CG-CG1 4.07Å; W251-V398 HydrophobicContact CG-CG2 4.28Å; W251-V398 HydrophobicContact CZ2-CG1 4.42Å; V394-V398 HydrophobicContact CG1-CG2 4.47Å; V394-V398 WeakPolarHBondContact O-CG2 3.35Å; V394-V398 PolarHBondContact O-N 2.92Å; M395-V398 HydrophobicContact CE-CG1 4.34Å; M395-V398 PolarHBondContact O-N 3.09Å; V398-S400 PolarHBondContact O-N 3.02Å; V398-C401 WeakPolarHBondContact O-CB 3.41Å; V398-C401 PolarHBondContact O-N 3.27Å; V398-V402 HydrophobicContact CG1-CG2 4.4Å; V398-V402 WeakPolarHBondContact O-CG2 3.32Å; V398-V402 PolarHBondContact O-N 2.8Å
399L90.8Very high85.2Confident13 Ų1345 Ų457%0.06825%0.253CS..Hα-helixtrans-64.5-41.1-179.8-74.4-172000112.8L353 M395 C401 V402 L403 A415 I417 V420L353-L399 HydrophobicContact CD1-CD1 3.78Å; L353-L399 HydrophobicContact CD1-CD2 3.53Å; L353-L399 HydrophobicContact CD1-CG 4.26Å; M395-L399 HydrophobicContact CE-CD1 4.04Å; M395-L399 HydrophobicContact CE-CD2 3.42Å; M395-L399 VanDerWaalsContact CE-CD2 3.42Å; M395-L399 HydrophobicContact CE-CG 3.39Å; M395-L399 HydrophobicContact CG-CD1 4.48Å; M395-L399 HydrophobicContact CG-CG 4.37Å; M395-L399 WeakPolarHBondContact O-CB 3.31Å; M395-L399 PolarHBondContact O-N 3.09Å; L399-C401 VanDerWaalsContact C-N 3.28Å; L399-C401 PolarHBondContact O-N 2.82Å; L399-V402 PolarHBondContact O-N 2.75Å; L399-L403 WeakPolarHBondContact O-CB 2.91Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.38Å; L399-L403 PolarHBondContact O-N 2.7Å; L399-A415 HydrophobicContact CB-CB 4.35Å; L399-A415 HydrophobicContact CD1-CB 4.02Å; L399-I417 WeakPolarHBondContact CD1-O 3.36Å; L399-V420 HydrophobicContact CD1-CG2 4.36Å
400S89.4Confident84.7Confident74 Ų7448.8 Ų48.852%0.51727%0.267SS..Hα-helixtrans-58.6-44.8175.7-174.60000110.4K396 V398 S404K396-S400 WeakPolarHBondContact O-CB 3.09Å; K396-S400 PolarHBondContact O-N 3.32Å; V398-S400 PolarHBondContact O-N 3.02Å; S400-S404 WeakPolarHBondContact O-CB 3.32Å; S400-S404 PolarHBondContact O-N 3.43Å; S400-S404 PolarHBondContact O-OG 3.38Å
401C90.2Very high84Confident9 Ų954.5 Ų54.56%0.06130%0.298CS..Hα-helixtrans-59.4-51.6174.8-177.60000111.5F235 W251 T397 V398 L399 S404 R405F235-C401 HydrophobicContact CE2-CB 3.73Å; F235-C401 HydrophobicContact CZ-CB 3.82Å; W251-C401 HydrophobicContact CH2-CB 3.99Å; W251-C401 HydrophobicContact CZ2-CB 4.29Å; T397-C401 WeakPolarHBondContact O-CB 3.41Å; T397-C401 PolarHBondContact O-N 2.87Å; V398-C401 WeakPolarHBondContact O-CB 3.41Å; V398-C401 PolarHBondContact O-N 3.27Å; L399-C401 VanDerWaalsContact C-N 3.28Å; L399-C401 PolarHBondContact O-N 2.82Å; C401-S404 PolarHBondContact O-N 3.38Å; C401-S404 PolarHBondContact O-OG 3.15Å; C401-R405 WeakPolarHBondContact O-CG 3.42Å; C401-R405 PolarHBondContact O-N 3.3Å
402V87.5Confident83.2Confident70 Ų7055.1 Ų55.142%0.42430%0.304SS..Hα-helixtrans-62.2-51.2-176.9171.90000111.7W251 V398 L399 S404 R405W251-V402 HydrophobicContact CZ2-CG2 4.14Å; V398-V402 HydrophobicContact CG1-CG2 4.4Å; V398-V402 WeakPolarHBondContact O-CG2 3.32Å; V398-V402 PolarHBondContact O-N 2.8Å; L399-V402 PolarHBondContact O-N 2.75Å; V402-S404 PolarHBondContact O-N 2.76Å; V402-R405 WeakPolarHBondContact O-CB 3.33Å; V402-R405 WeakPolarHBondContact O-CG 3.24Å; V402-R405 PolarHBondContact O-N 2.83Å
403L84.3Confident82.9Confident30 Ų3053.8 Ų53.816%0.15730%0.295CS..Hα-helixtrans-68.5-23-178.7-63.8175.5000112.5L399 V409 K410 T413 A415 V420L399-L403 WeakPolarHBondContact O-CB 2.91Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.38Å; L399-L403 PolarHBondContact O-N 2.7Å; L403-V409 HydrophobicContact CB-CG1 4.49Å; L403-V409 HydrophobicContact CD2-CG1 3.89Å; L403-K410 WeakPolarHBondContact O-CA 3.35Å; L403-K410 WeakPolarHBondContact O-CB 3.49Å; L403-K410 PolarHBondContact O-N 2.86Å; L403-T413 HydrophobicContact CD2-CG2 4.32Å; L403-A415 HydrophobicContact CD1-CB 3.72Å; L403-V420 HydrophobicContact CD1-CG1 4.18Å; L403-V420 HydrophobicContact CD1-CG2 4.39Å
404S84Confident82.8Confident47 Ų4754.5 Ų54.533%0.32930%0.297SS..THydrogen-bonded Turntrans-84.1-6.9178.273.30000115.1S400 C401 V402 D406S400-S404 WeakPolarHBondContact O-CB 3.32Å; S400-S404 PolarHBondContact O-N 3.43Å; S400-S404 PolarHBondContact O-OG 3.38Å; C401-S404 PolarHBondContact O-N 3.38Å; C401-S404 PolarHBondContact O-OG 3.15Å; V402-S404 PolarHBondContact O-N 2.76Å; S404-D406 VanDerWaalsContact C-N 3.29Å; S404-D406 PolarHBondContact O-N 3.32Å
405R75.9Confident82.6Confident150 Ų15055.5 Ų55.557%0.56631%0.305SS*.SBendtrans-63.5-35.8179.6-67.6-60.8179.7133.45.5112.9C401 V402C401-R405 WeakPolarHBondContact O-CG 3.42Å; C401-R405 PolarHBondContact O-N 3.3Å; V402-R405 WeakPolarHBondContact O-CB 3.33Å; V402-R405 WeakPolarHBondContact O-CG 3.24Å; V402-R405 PolarHBondContact O-N 2.83Å
406D67.3Low82.4Confident75 Ų7557.7 Ų57.740%0.40131%0.313SS..SBendtrans-112.9121.3176.7-179.1-54.3000108.8S404 V408 V409 K410S404-D406 VanDerWaalsContact C-N 3.29Å; S404-D406 PolarHBondContact O-N 3.32Å; D406-V408 VanDerWaalsContact C-N 3.28Å; D406-V408 PolarHBondContact O-N 3.46Å; D406-V408 VanDerWaalsContact OD1-CA 3.3Å; D406-V408 WeakPolarHBondContact OD1-CA 3.44Å; D406-V408 WeakPolarHBondContact OD1-CB 3.47Å; D406-V408 PolarHBondContact OD1-N 2.86Å; D406-V409 HydrophobicContact CB-CB 3.94Å; D406-V409 HydrophobicContact CB-CG2 3.73Å; D406-V409 PolarHBondContact O-N 3.26Å; D406-V409 PolarHBondContact OD1-N 3.06Å; D406-K410 WeakPolarHBondContact O-CB 3.24Å; D406-K410 PolarHBondContact O-N 3.36Å
407P67.6Low82.1Confident88 Ų8856.6 Ų56.657%0.57131%0.309SS*.Hα-helixtrans-59.3-32.7179.8-25.634.7000114.6N411P407-N411 WeakPolarHBondContact O-CB 3.45Å; P407-N411 PolarHBondContact O-N 3.22Å; P407-N411 PolarHBondContact O-ND2 2.75Å; P407-N411 VanDerWaalsContact O-ND2 3.14Å
408V65.1Low81.8Confident116 Ų11658.2 Ų58.270%0.70332%0.317SS*.Hα-helixtrans-69.5-46176.7-177.50000109.7D406 N411 G412D406-V408 VanDerWaalsContact C-N 3.28Å; D406-V408 PolarHBondContact O-N 3.46Å; D406-V408 VanDerWaalsContact OD1-CA 3.3Å; D406-V408 WeakPolarHBondContact OD1-CA 3.44Å; D406-V408 WeakPolarHBondContact OD1-CB 3.47Å; D406-V408 PolarHBondContact OD1-N 2.86Å; V408-N411 PolarHBondContact O-N 2.88Å; V408-G412 PolarHBondContact O-N 2.77Å
409V73.8Confident81.6Confident61 Ų6159.9 Ų59.937%0.3733%0.326SS..Hα-helixtrans-60.4-47.6175176.60000110.4L403 D406 N411 G412 T413L403-V409 HydrophobicContact CB-CG1 4.49Å; L403-V409 HydrophobicContact CD2-CG1 3.89Å; D406-V409 HydrophobicContact CB-CB 3.94Å; D406-V409 HydrophobicContact CB-CG2 3.73Å; D406-V409 PolarHBondContact O-N 3.26Å; D406-V409 PolarHBondContact OD1-N 3.06Å; V409-N411 VanDerWaalsContact C-N 3.28Å; V409-N411 PolarHBondContact O-N 3.01Å; V409-G412 PolarHBondContact O-N 2.9Å; V409-G412 VanDerWaalsContact O-N 3.09Å; V409-T413 HydrophobicContact CG1-CG2 4.11Å; V409-T413 WeakPolarHBondContact O-CB 3.35Å; V409-T413 WeakPolarHBondContact O-CG2 3.14Å; V409-T413 PolarHBondContact O-N 3.45Å; V409-T413 PolarHBondContact O-OG1 3.39Å
410K79.7Confident81.3Confident124 Ų12459.5 Ų59.554%0.53932%0.324SS..Hα-helixtrans-56-42177.5-170.5-178.2-179.3173.40112.5L403 D406 G412L403-K410 WeakPolarHBondContact O-CA 3.35Å; L403-K410 WeakPolarHBondContact O-CB 3.49Å; L403-K410 PolarHBondContact O-N 2.86Å; D406-K410 WeakPolarHBondContact O-CB 3.24Å; D406-K410 PolarHBondContact O-N 3.36Å; K410-G412 VanDerWaalsContact C-N 3.35Å
411N74.7Confident80.9Confident121 Ų12156.5 Ų56.565%0.64730%0.302SS*.Hα-helixtrans-77.1-21.6-179.8-70.4-20.3000113.2P407 V408 V409P407-N411 WeakPolarHBondContact O-CB 3.45Å; P407-N411 PolarHBondContact O-N 3.22Å; P407-N411 PolarHBondContact O-ND2 2.75Å; P407-N411 VanDerWaalsContact O-ND2 3.14Å; V408-N411 PolarHBondContact O-N 2.88Å; V409-N411 VanDerWaalsContact C-N 3.28Å; V409-N411 PolarHBondContact O-N 3.01Å
412G75.6Confident80.1Confident14 Ų1457.5 Ų57.514%0.14431%0.307CS..Hα-helixtrans-96.4-7.7-178.700000115.1V408 V409 K410 W414V408-G412 PolarHBondContact O-N 2.77Å; V409-G412 PolarHBondContact O-N 2.9Å; V409-G412 VanDerWaalsContact O-N 3.09Å; K410-G412 VanDerWaalsContact C-N 3.35Å; G412-W414 WeakPolarHBondContact O-CZ3 3.39Å
413T84.5Confident78.9Confident17 Ų1760.1 Ų60.110%0.10431%0.309CS..EExtended strand (participates in β ladder)trans-125.7145.2-171.1570000113.3L403 V409 V420 L421 L422L403-T413 HydrophobicContact CD2-CG2 4.32Å; V409-T413 HydrophobicContact CG1-CG2 4.11Å; V409-T413 WeakPolarHBondContact O-CB 3.35Å; V409-T413 WeakPolarHBondContact O-CG2 3.14Å; V409-T413 PolarHBondContact O-N 3.45Å; V409-T413 PolarHBondContact O-OG1 3.39Å; T413-V420 HydrophobicContact CG2-CG1 4.03Å; T413-L421 CarbonylContact C-O 3.45Å; T413-L421 VanDerWaalsContact CA-O 3.32Å; T413-L421 WeakPolarHBondContact CA-O 3.36Å; T413-L422 HydrophobicContact CG2-CD1 3.7Å
414W87.6Confident77.3Confident37 Ų3760.6 Ų60.614%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-132.6112170.7-60.5-95.1000109.5E340 W341 Q344 G412 L421 R423E340-W414 PolarHBondContact OE1-NE1 2.77Å; W341-W414 VanDerWaalsContact CZ2-O 3.32Å; W341-W414 WeakPolarHBondContact CZ2-O 3.24Å; Q344-W414 VanDerWaalsContact CD-CH2 3.49Å; Q344-W414 HydrophobicContact CG-CD2 4.08Å; Q344-W414 HydrophobicContact CG-CE3 3.99Å; Q344-W414 HydrophobicContact CG-CH2 3.97Å; Q344-W414 HydrophobicContact CG-CZ2 4.04Å; Q344-W414 HydrophobicContact CG-CZ3 3.93Å; G412-W414 WeakPolarHBondContact O-CZ3 3.39Å; W414-L421 HydrophobicContact CB-CB 4.22Å; W414-L421 HydrophobicContact CE3-CD2 4.28Å; W414-L421 PolarHBondContact N-O 2.95Å; W414-L421 PolarHBondContact O-N 3.13Å; W414-R423 HydrophobicContact CZ3-CG 4.26Å
415A88.4Confident75.8Confident21 Ų2159.9 Ų59.917%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-91.6150.4179.100000113L399 L403 D419 V420L399-A415 HydrophobicContact CB-CB 4.35Å; L399-A415 HydrophobicContact CD1-CB 4.02Å; L403-A415 HydrophobicContact CD1-CB 3.72Å; A415-D419 CarbonylContact C-O 3.58Å; A415-D419 WeakPolarHBondContact CA-O 3.41Å; A415-V420 HydrophobicContact CB-CG2 4.09Å
416Y87.9Confident74.6Confident57 Ų5754.9 Ų54.922%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-143.599.9166.1-177.3-106.4000108.6D332 C334 K337 D418 D419D332-Y416 HydrophobicContact CB-CD2 3.92Å; D332-Y416 HydrophobicContact CB-CE2 3.84Å; C334-Y416 HydrophobicContact CB-CE2 4.46Å; C334-Y416 WeakPolarHBondContact CB-OH 3.24Å; K337-Y416 HydrophobicContact CB-CD2 4.17Å; K337-Y416 HydrophobicContact CG-CD2 3.87Å; K337-Y416 HydrophobicContact CG-CE2 4.44Å; Y416-D418 PolarHBondContact O-N 3.13Å; Y416-D419 PolarHBondContact N-O 3.29Å; Y416-D419 PolarHBondContact O-N 2.97Å
417I85.7Confident73.5Confident37 Ų3751.3 Ų51.319%0.1928%0.282CS..THydrogen-bonded Turntrans57.5-91.8-178.3-52.4175.9000113Y357 P392 M395 L399Y357-I417 HydrophobicContact CE1-CG2 4.11Å; Y357-I417 VanDerWaalsContact OH-CG2 3.3Å; Y357-I417 WeakPolarHBondContact OH-CG2 3.26Å; P392-I417 HydrophobicContact CB-CD1 4.18Å; P392-I417 HydrophobicContact CB-CG1 4.45Å; M395-I417 WeakPolarHBondContact CG-O 3.22Å; L399-I417 WeakPolarHBondContact CD1-O 3.36Å
418D85.6Confident72.8Confident57 Ų5751.1 Ų51.131%0.30527%0.272SS..THydrogen-bonded Turntrans-110-12.6-179.954.1-30.7000112.5L353 T356 Y416L353-D418 HydrophobicContact CB-CB 4.43Å; L353-D418 WeakPolarHBondContact CB-O 3.3Å; L353-D418 VanDerWaalsContact CG-O 3.32Å; L353-D418 WeakPolarHBondContact CG-O 3.47Å; L353-D418 PolarHBondContact N-O 3.3Å; T356-D418 HydrophobicContact CG2-CB 4.08Å; T356-D418 WeakPolarHBondContact OG1-CB 3.4Å; Y416-D418 PolarHBondContact O-N 3.13Å
419D87.2Confident72.3Confident39 Ų3946.7 Ų46.721%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-92.5127.6177.1-73.4-50.8000111.3W341 L350 I351 A415 Y416W341-D419 HydrophobicContact CH2-CB 3.62Å; W341-D419 HydrophobicContact CZ3-CB 4.34Å; L350-D419 HydrophobicContact CD1-CB 3.94Å; I351-D419 CarbonylContact O-C 3.58Å; I351-D419 WeakPolarHBondContact O-CA 3.43Å; A415-D419 CarbonylContact C-O 3.58Å; A415-D419 WeakPolarHBondContact CA-O 3.41Å; Y416-D419 PolarHBondContact N-O 3.29Å; Y416-D419 PolarHBondContact O-N 2.97Å
420V85.2Confident71.5Confident6 Ų645.5 Ų45.54%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-116.6116.8171.9-175.70000109.8I351 L353 L399 L403 T413 A415I351-V420 HydrophobicContact CB-CB 3.93Å; I351-V420 WeakPolarHBondContact CB-O 3.02Å; I351-V420 WeakPolarHBondContact CG1-O 3.1Å; I351-V420 HydrophobicContact CG2-CB 3.98Å; I351-V420 HydrophobicContact CG2-CG2 4.46Å; I351-V420 PolarHBondContact N-O 3.43Å; I351-V420 PolarHBondContact O-N 3.49Å; L353-V420 HydrophobicContact CD1-CG2 4.32Å; L399-V420 HydrophobicContact CD1-CG2 4.36Å; L403-V420 HydrophobicContact CD1-CG1 4.18Å; L403-V420 HydrophobicContact CD1-CG2 4.39Å; T413-V420 HydrophobicContact CG2-CG1 4.03Å; A415-V420 HydrophobicContact CB-CG2 4.09Å
421L81.7Confident70.4Confident11 Ų1146.4 Ų46.46%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-79.3130169.3-166.877.9000109.3W341 Q344 V348 L350 T413 W414W341-L421 HydrophobicContact CB-CD2 3.66Å; W341-L421 HydrophobicContact CD2-CB 3.87Å; W341-L421 HydrophobicContact CD2-CD1 4.47Å; W341-L421 HydrophobicContact CD2-CD2 4.02Å; W341-L421 HydrophobicContact CD2-CG 4.35Å; W341-L421 HydrophobicContact CE3-CB 4.19Å; W341-L421 HydrophobicContact CE3-CD1 4.2Å; W341-L421 HydrophobicContact CG-CB 4.3Å; W341-L421 HydrophobicContact CG-CD2 3.64Å; W341-L421 HydrophobicContact CG-CG 4.47Å; W341-L421 HydrophobicContact CH2-CB 4.45Å; W341-L421 HydrophobicContact CZ2-CB 4.12Å; W341-L421 HydrophobicContact CZ3-CB 4.49Å; Q344-L421 HydrophobicContact CB-CD2 4.3Å; Q344-L421 HydrophobicContact CG-CD2 3.95Å; V348-L421 HydrophobicContact CB-CD1 3.84Å; V348-L421 HydrophobicContact CB-CD2 4.12Å; V348-L421 HydrophobicContact CB-CG 3.88Å; V348-L421 HydrophobicContact CG1-CD2 4.03Å; V348-L421 HydrophobicContact CG1-CG 4.19Å; V348-L421 HydrophobicContact CG2-CD1 3.77Å; V348-L421 HydrophobicContact CG2-CD2 4.18Å; V348-L421 HydrophobicContact CG2-CG 4.2Å; L350-L421 HydrophobicContact CD1-CD1 4.36Å; T413-L421 CarbonylContact C-O 3.45Å; T413-L421 VanDerWaalsContact CA-O 3.32Å; T413-L421 WeakPolarHBondContact CA-O 3.36Å; W414-L421 HydrophobicContact CB-CB 4.22Å; W414-L421 HydrophobicContact CE3-CD2 4.28Å; W414-L421 PolarHBondContact N-O 2.95Å; W414-L421 PolarHBondContact O-N 3.13Å
422L72.1Confident69.8Low29 Ų2942.1 Ų42.115%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-132.4146.9-177.9175.864.8000109.3V348 S349 I351 T413 A426 A427V348-L422 CarbonylContact C-O 3.5Å; V348-L422 WeakPolarHBondContact CA-O 3.36Å; V348-L422 WeakPolarHBondContact CB-O 3.43Å; S349-L422 PolarHBondContact N-O 2.95Å; S349-L422 PolarHBondContact O-N 2.81Å; I351-L422 HydrophobicContact CD1-CB 3.87Å; I351-L422 HydrophobicContact CD1-CD2 3.34Å; I351-L422 HydrophobicContact CD1-CG 4.26Å; I351-L422 HydrophobicContact CG1-CB 4.23Å; I351-L422 HydrophobicContact CG1-CD2 4.36Å; T413-L422 HydrophobicContact CG2-CD1 3.7Å; L422-A426 HydrophobicContact CD1-CB 4Å; L422-A426 HydrophobicContact CD2-CB 3.24Å; L422-A426 HydrophobicContact CG-CB 3.63Å; L422-A427 HydrophobicContact CB-CB 3.91Å; L422-A427 HydrophobicContact CD2-CB 4.36Å; L422-A427 HydrophobicContact CG-CB 4.16Å; L422-A427 WeakPolarHBondContact O-CB 3.39Å
423R63.9Low69.1Low125 Ų12542.7 Ų42.747%0.47221%0.214SC..EExtended strand (participates in β ladder)trans-59.4142.9177.2-70.5-179.9179.4-95.4-4.9112N347 W414 A425 A426 A427N347-R423 CarbonylContact O-C 3.53Å; N347-R423 VanDerWaalsContact O-CA 3.25Å; N347-R423 WeakPolarHBondContact O-CA 3.4Å; W414-R423 HydrophobicContact CZ3-CG 4.26Å; R423-A425 PolarHBondContact O-N 2.91Å; R423-A426 PolarHBondContact O-N 2.75Å; R423-A427 PolarHBondContact O-N 2.89Å
424V50.8Low68.1Low40 Ų4046 Ų4624%0.24223%0.231CC..Hα-helixtrans-47.6-36.7-161.8131.30000112.6N347 V348 A426 A427 F428N347-V424 VanDerWaalsContact C-CG2 3.44Å; N347-V424 VanDerWaalsContact CA-CB 3.48Å; N347-V424 VanDerWaalsContact CA-CG2 3.47Å; N347-V424 HydrophobicContact CB-CB 3.98Å; N347-V424 HydrophobicContact CB-CG2 4.44Å; N347-V424 PolarHBondContact O-N 3.26Å; V348-V424 VanDerWaalsContact N-CG2 3.25Å; V348-V424 WeakPolarHBondContact O-CG2 3.42Å; V424-A426 PolarHBondContact O-N 3.21Å; V424-A427 PolarHBondContact O-N 2.97Å; V424-F428 WeakPolarHBondContact O-CB 3.4Å; V424-F428 PolarHBondContact O-N 3.2Å
425A51.8Low67.1Low33 Ų3348.2 Ų48.227%0.27326%0.258SS..Hα-helixtrans-52.5-57.5178.200000111.4R423 A427 T429 T456R423-A425 PolarHBondContact O-N 2.91Å; A425-A427 VanDerWaalsContact C-N 3.26Å; A425-A427 PolarHBondContact O-N 2.95Å; A425-T429 PolarHBondContact O-N 2.85Å; A425-T429 PolarHBondContact O-OG1 3.17Å; A425-T456 HydrophobicContact CB-CG2 3.2Å
426A50.4Low66Low44 Ų4450.1 Ų50.136%0.36427%0.267SS..Hα-helixtrans-81.3-14-174.500000112.4L422 R423 V424 T429 K430L422-A426 HydrophobicContact CD1-CB 4Å; L422-A426 HydrophobicContact CD2-CB 3.24Å; L422-A426 HydrophobicContact CG-CB 3.63Å; R423-A426 PolarHBondContact O-N 2.75Å; V424-A426 PolarHBondContact O-N 3.21Å; A426-T429 WeakPolarHBondContact O-CB 3.4Å; A426-K430 PolarHBondContact O-N 3.49Å
427A44.5Very low64.5Low0 Ų048.2 Ų48.20%026%0.262CS..Hα-helixtrans-96.8-31.5-175.500000112.6S349 L422 R423 V424 A425 T429 K430 R431S349-A427 VanDerWaalsContact C-CB 3.46Å; S349-A427 WeakPolarHBondContact O-CB 3.4Å; S349-A427 WeakPolarHBondContact OG-CA 3.28Å; S349-A427 WeakPolarHBondContact OG-CB 3.45Å; S349-A427 PolarHBondContact OG-O 2.77Å; L422-A427 HydrophobicContact CB-CB 3.91Å; L422-A427 HydrophobicContact CD2-CB 4.36Å; L422-A427 HydrophobicContact CG-CB 4.16Å; L422-A427 WeakPolarHBondContact O-CB 3.39Å; R423-A427 PolarHBondContact O-N 2.89Å; V424-A427 PolarHBondContact O-N 2.97Å; A425-A427 VanDerWaalsContact C-N 3.26Å; A425-A427 PolarHBondContact O-N 2.95Å; A427-T429 VanDerWaalsContact C-N 3.33Å; A427-K430 PolarHBondContact O-N 2.97Å; A427-R431 PolarHBondContact O-N 2.92Å
428F52Low63.2Low85 Ų8555.2 Ų55.237%0.37329%0.291SS..Hα-helixtrans-63.4-42.7160.4-175.1-160.1000110.2V424 K430 R431 T432 L452V424-F428 WeakPolarHBondContact O-CB 3.4Å; V424-F428 PolarHBondContact O-N 3.2Å; F428-K430 VanDerWaalsContact C-N 3.34Å; F428-K430 PolarHBondContact O-N 3.42Å; F428-R431 PolarHBondContact O-N 3.08Å; F428-T432 WeakPolarHBondContact CD2-OG1 3.21Å; F428-T432 WeakPolarHBondContact CE2-OG1 3.33Å; F428-T432 VanDerWaalsContact O-CB 3.3Å; F428-T432 WeakPolarHBondContact O-CB 3.43Å; F428-T432 PolarHBondContact O-N 3.18Å; F428-T432 PolarHBondContact O-OG1 3.21Å; F428-L452 HydrophobicContact CD1-CD1 3.44Å; F428-L452 VanDerWaalsContact CD1-CD1 3.44Å; F428-L452 HydrophobicContact CD1-CD2 3.25Å; F428-L452 HydrophobicContact CD1-CG 3.66Å; F428-L452 HydrophobicContact CD2-CD2 4.03Å; F428-L452 HydrophobicContact CE1-CD1 3.01Å; F428-L452 HydrophobicContact CE1-CD2 2.99Å; F428-L452 HydrophobicContact CE1-CG 3.44Å; F428-L452 VanDerWaalsContact CE1-CG 3.44Å; F428-L452 HydrophobicContact CE2-CD2 3.76Å; F428-L452 HydrophobicContact CG-CD2 3.78Å; F428-L452 HydrophobicContact CZ-CD1 3.96Å; F428-L452 HydrophobicContact CZ-CD2 3.22Å; F428-L452 HydrophobicContact CZ-CG 4.11Å
429T56.2Low61.4Low23 Ų2355.1 Ų55.114%0.14129%0.292CS..Hα-helixtrans-54.3-50.8169.5-57.70000111.1A425 A426 A427 T433 M449 L453A425-T429 PolarHBondContact O-N 2.85Å; A425-T429 PolarHBondContact O-OG1 3.17Å; A426-T429 WeakPolarHBondContact O-CB 3.4Å; A427-T429 VanDerWaalsContact C-N 3.33Å; T429-T433 WeakPolarHBondContact O-CB 3.31Å; T429-T433 PolarHBondContact O-N 3.41Å; T429-T433 PolarHBondContact O-OG1 3.29Å; T429-M449 VanDerWaalsContact O-SD 3.37Å; T429-L453 HydrophobicContact CG2-CD1 3.77Å; T429-L453 HydrophobicContact CG2-CD2 3.62Å; T429-L453 HydrophobicContact CG2-CG 3.87Å; T429-L453 WeakPolarHBondContact OG1-CD2 3.45Å; T429-L453 WeakPolarHBondContact OG1-CG 3.38Å
430K56.5Low59.3Low36 Ų3664.7 Ų64.716%0.15733%0.325CS..Hα-helixtrans-64-46.2179.9-163.4-159.6176.5-1580113.1I351 D352 A426 A427 F428 T432 T433 N434I351-K430 VanDerWaalsContact C-NZ 3.27Å; I351-K430 HydrophobicContact CB-CD 3.48Å; I351-K430 VanDerWaalsContact CB-CD 3.48Å; I351-K430 HydrophobicContact CD1-CB 4.28Å; I351-K430 HydrophobicContact CD1-CD 3.56Å; I351-K430 HydrophobicContact CD1-CG 4.38Å; I351-K430 HydrophobicContact CG1-CB 4.28Å; I351-K430 HydrophobicContact CG1-CD 3.24Å; I351-K430 HydrophobicContact CG1-CG 4.32Å; I351-K430 HydrophobicContact CG2-CD 3.49Å; I351-K430 VanDerWaalsContact CG2-CD 3.49Å; I351-K430 VanDerWaalsContact CG2-CE 3.43Å; D352-K430 VanDerWaalsContact N-NZ 3.12Å; D352-K430 PolarHBondContact O-NZ 3.35Å; A426-K430 PolarHBondContact O-N 3.49Å; A427-K430 PolarHBondContact O-N 2.97Å; F428-K430 VanDerWaalsContact C-N 3.34Å; F428-K430 PolarHBondContact O-N 3.42Å; K430-T432 VanDerWaalsContact C-N 3.34Å; K430-T432 PolarHBondContact O-N 3.48Å; K430-T433 CarbonylContact O-C 3.57Å; K430-T433 WeakPolarHBondContact O-CB 3.38Å; K430-T433 PolarHBondContact O-N 2.94Å; K430-N434 WeakPolarHBondContact CE-ND2 3.29Å; K430-N434 WeakPolarHBondContact O-CB 3.34Å; K430-N434 PolarHBondContact O-N 3.05Å
431R57.1Low57.5Low142 Ų14269.9 Ų69.954%0.53635%0.353SS..Hα-helixtrans-61.7-45.2-178.4-81.4-169.2-77178.10.2111.6S349 A427 F428 T433 N434 A435S349-R431 VanDerWaalsContact CB-NH2 3.25Å; S349-R431 PolarHBondContact OG-NE 3.36Å; A427-R431 PolarHBondContact O-N 2.92Å; F428-R431 PolarHBondContact O-N 3.08Å; R431-T433 VanDerWaalsContact C-N 3.28Å; R431-T433 PolarHBondContact O-N 3.43Å; R431-N434 PolarHBondContact O-N 3.22Å; R431-A435 WeakPolarHBondContact O-CB 3.42Å; R431-A435 PolarHBondContact O-N 2.9Å
432T60.4Low56.1Low31 Ų3176.7 Ų76.719%0.1938%0.378CS..Hα-helixtrans-69.4-33.7179.3-47.20000109.4F428 K430 A435 V436 M449F428-T432 WeakPolarHBondContact CD2-OG1 3.21Å; F428-T432 WeakPolarHBondContact CE2-OG1 3.33Å; F428-T432 VanDerWaalsContact O-CB 3.3Å; F428-T432 WeakPolarHBondContact O-CB 3.43Å; F428-T432 PolarHBondContact O-N 3.18Å; F428-T432 PolarHBondContact O-OG1 3.21Å; K430-T432 VanDerWaalsContact C-N 3.34Å; K430-T432 PolarHBondContact O-N 3.48Å; T432-A435 PolarHBondContact O-N 3.35Å; T432-V436 WeakPolarHBondContact O-CG2 3.31Å; T432-V436 PolarHBondContact O-N 3.16Å; T432-M449 WeakPolarHBondContact CB-SD 3.32Å; T432-M449 HydrophobicContact CG2-CB 4.11Å; T432-M449 HydrophobicContact CG2-CE 3.41Å; T432-M449 VanDerWaalsContact CG2-CE 3.41Å; T432-M449 HydrophobicContact CG2-CG 4.23Å; T432-M449 HydrophobicContact CG2-SD 3.51Å; T432-M449 VanDerWaalsContact CG2-SD 3.51Å; T432-M449 WeakPolarHBondContact O-CE 3.42Å
433T61.3Low55Low27 Ų2779.1 Ų79.117%0.16640%0.396CS..Hα-helixtrans-62.6-54.1172.9-68.80000111.5T429 K430 R431 A435 V436 T437 V444 M449T429-T433 WeakPolarHBondContact O-CB 3.31Å; T429-T433 PolarHBondContact O-N 3.41Å; T429-T433 PolarHBondContact O-OG1 3.29Å; K430-T433 CarbonylContact O-C 3.57Å; K430-T433 WeakPolarHBondContact O-CB 3.38Å; K430-T433 PolarHBondContact O-N 2.94Å; R431-T433 VanDerWaalsContact C-N 3.28Å; R431-T433 PolarHBondContact O-N 3.43Å; T433-A435 PolarHBondContact O-N 3.38Å; T433-V436 CarbonylContact O-C 3.52Å; T433-V436 WeakPolarHBondContact O-CG2 3.37Å; T433-V436 PolarHBondContact O-N 3.49Å; T433-T437 HydrophobicContact CG2-CG2 4.44Å; T433-T437 PolarHBondContact O-N 2.95Å; T433-T437 PolarHBondContact O-OG1 3.26Å; T433-T437 VanDerWaalsContact O-OG1 3.04Å; T433-V444 HydrophobicContact CG2-CG2 3.3Å; T433-V444 WeakPolarHBondContact OG1-CG2 3.45Å; T433-M449 VanDerWaalsContact N-CE 3.34Å; T433-M449 PolarHBondContact N-SD 3.41Å; T433-M449 PolarHBondContact OG1-SD 3.36Å
434N64.7Low54.6Low85 Ų8575.9 Ų75.946%0.45539%0.389SS..Hα-helixtrans-61.2-24.6177.3-77.88.9000113.1K430 R431K430-N434 WeakPolarHBondContact CE-ND2 3.29Å; K430-N434 WeakPolarHBondContact O-CB 3.34Å; K430-N434 PolarHBondContact O-N 3.05Å; R431-N434 PolarHBondContact O-N 3.22Å
435A65.8Low55.1Low85 Ų8581.7 Ų81.770%0.70241%0.414SS*.Hα-helixtrans-77.6-22.2175.500000112.9R431 T432 T433R431-A435 WeakPolarHBondContact O-CB 3.42Å; R431-A435 PolarHBondContact O-N 2.9Å; T432-A435 PolarHBondContact O-N 3.35Å; T433-A435 PolarHBondContact O-N 3.38Å
436V64.5Low55.7Low61 Ų6182.3 Ų82.337%0.3741%0.413SS..Hα-helixtrans-112.9-9-178.9-55.20000114.2T432 T433 V444 N446 M449T432-V436 WeakPolarHBondContact O-CG2 3.31Å; T432-V436 PolarHBondContact O-N 3.16Å; T433-V436 CarbonylContact O-C 3.52Å; T433-V436 WeakPolarHBondContact O-CG2 3.37Å; T433-V436 PolarHBondContact O-N 3.49Å; V436-V444 HydrophobicContact CG2-CB 4.41Å; V436-V444 HydrophobicContact CG2-CG1 3.42Å; V436-V444 VanDerWaalsContact CG2-CG1 3.42Å; V436-N446 HydrophobicContact CB-CB 4.27Å; V436-N446 HydrophobicContact CG1-CB 3.94Å; V436-N446 VanDerWaalsContact CG1-ND2 3.32Å; V436-N446 WeakPolarHBondContact CG1-ND2 3.25Å; V436-N446 HydrophobicContact CG2-CB 3.94Å; V436-M449 HydrophobicContact CG1-CE 4.38Å; V436-M449 HydrophobicContact CG2-CE 3.5Å
437T58.1Low56.4Low17 Ų1783.2 Ų83.210%0.10443%0.426CS..  trans-117.8139175.167.80000111.8T433 P443 V444T433-T437 HydrophobicContact CG2-CG2 4.44Å; T433-T437 PolarHBondContact O-N 2.95Å; T433-T437 PolarHBondContact O-OG1 3.26Å; T433-T437 VanDerWaalsContact O-OG1 3.04Å; T437-P443 WeakPolarHBondContact CG2-O 3.5Å; T437-V444 HydrophobicContact CG2-CB 4.26Å; T437-V444 HydrophobicContact CG2-CG2 3.83Å
438K57.5Low57.3Low184 Ų18486.7 Ų86.780%0.846%0.455SS*.SBendtrans-85-19.4178.7-72.7-175.5177.6178.90113.5
439T47.4Very low57.8Low55 Ų5582.8 Ų82.834%0.33744%0.438SS..SBendtrans-147.2153.2-175.656.70000108.9D441 R442T439-D441 WeakPolarHBondContact CB-OD1 3.32Å; T439-D441 PolarHBondContact O-N 2.89Å; T439-D441 PolarHBondContact OG1-OD1 3.41Å; T439-R442 PolarHBondContact O-N 3.33Å; T439-R442 WeakPolarHBondContact OG1-CD 3.36Å; T439-R442 WeakPolarHBondContact OG1-CG 3.3Å
440W42.7Very low58Low239 Ų23986.3 Ų86.391%0.90545%0.448SS*.THydrogen-bonded Turntrans-71.4-12.7-172.559.2-80.1000114.1
441D47.5Very low58.6Low115 Ų11588 Ų8862%0.61547%0.465SS*.THydrogen-bonded Turntrans-97.1-2.4-179.461.2-27.7000113.5T439T439-D441 WeakPolarHBondContact CB-OD1 3.32Å; T439-D441 PolarHBondContact O-N 2.89Å; T439-D441 PolarHBondContact OG1-OD1 3.41Å
442R51.9Low58.9Low155 Ų15582.5 Ų82.559%0.58545%0.446SS*.SBendtrans-93.1136.7177.5-77.9-177.2-175.6-142.1-0.8112T439T439-R442 PolarHBondContact O-N 3.33Å; T439-R442 WeakPolarHBondContact OG1-CD 3.36Å; T439-R442 WeakPolarHBondContact OG1-CG 3.3Å
443P49.1Very low58.9Low80 Ų8084.6 Ų84.652%0.51946%0.455SS..  trans-56.1144.7171.1-22.532.1000112.1T437 E445T437-P443 WeakPolarHBondContact CG2-O 3.5Å; P443-E445 PolarHBondContact O-N 2.86Å
444V56.8Low58.9Low56 Ų5689 Ų8934%0.33947%0.474SS..  trans-83.389.5178.5-175.30000109.2T433 V436 T437 N446 M449T433-V444 HydrophobicContact CG2-CG2 3.3Å; T433-V444 WeakPolarHBondContact OG1-CG2 3.45Å; V436-V444 HydrophobicContact CG2-CB 4.41Å; V436-V444 HydrophobicContact CG2-CG1 3.42Å; V436-V444 VanDerWaalsContact CG2-CG1 3.42Å; T437-V444 HydrophobicContact CG2-CB 4.26Å; T437-V444 HydrophobicContact CG2-CG2 3.83Å; V444-N446 HydrophobicContact CG1-CB 4.48Å; V444-N446 PolarHBondContact O-N 3.48Å; V444-M449 HydrophobicContact CG1-CE 3.12Å; V444-M449 HydrophobicContact CG1-CG 4.39Å; V444-M449 HydrophobicContact CG1-SD 3.87Å
445E60.4Low58.9Low162 Ų16289.5 Ų89.576%0.75747%0.474SS*.  trans-78.660.5179.4-65.5177.8-173.800112P443P443-E445 PolarHBondContact O-N 2.86Å
446N64Low58.5Low47 Ų4786.7 Ų86.725%0.25145%0.448SS..  trans-136.7102.2177-176.5-19000111.2V436 V444 A448 M449 R450V436-N446 HydrophobicContact CB-CB 4.27Å; V436-N446 HydrophobicContact CG1-CB 3.94Å; V436-N446 VanDerWaalsContact CG1-ND2 3.32Å; V436-N446 WeakPolarHBondContact CG1-ND2 3.25Å; V436-N446 HydrophobicContact CG2-CB 3.94Å; V444-N446 HydrophobicContact CG1-CB 4.48Å; V444-N446 PolarHBondContact O-N 3.48Å; N446-A448 VanDerWaalsContact C-N 3.27Å; N446-A448 PolarHBondContact O-N 3.42Å; N446-A448 VanDerWaalsContact OD1-CB 3.32Å; N446-A448 WeakPolarHBondContact OD1-CB 3.36Å; N446-A448 PolarHBondContact OD1-N 3.48Å; N446-M449 HydrophobicContact CB-CB 4.11Å; N446-M449 HydrophobicContact CB-CE 3.82Å; N446-M449 WeakPolarHBondContact O-CB 3.5Å; N446-M449 PolarHBondContact O-N 3.39Å; N446-M449 PolarHBondContact OD1-N 3.37Å; N446-R450 PolarHBondContact O-N 3.04Å
447G65.7Low58.1Low63 Ų6386.1 Ų86.165%0.64945%0.45SS*.Hα-helixtrans-59.1-31.8179.600000114.4M449 R450 S451G447-M449 PolarHBondContact O-N 3.45Å; G447-R450 PolarHBondContact O-N 3.22Å; G447-S451 PolarHBondContact O-N 3.06Å; G447-S451 VanDerWaalsContact O-N 3.15Å
448A62.5Low58.2Low72 Ų7288 Ų8860%0.59547%0.467SS*.Hα-helixtrans-65.6-30.8174.700000111.8N446 L452N446-A448 VanDerWaalsContact C-N 3.27Å; N446-A448 PolarHBondContact O-N 3.42Å; N446-A448 VanDerWaalsContact OD1-CB 3.32Å; N446-A448 WeakPolarHBondContact OD1-CB 3.36Å; N446-A448 PolarHBondContact OD1-N 3.48Å; A448-L452 VanDerWaalsContact O-CB 3.26Å; A448-L452 WeakPolarHBondContact O-CB 3.39Å; A448-L452 PolarHBondContact O-N 2.96Å; A448-L452 VanDerWaalsContact O-N 3.07Å
449M64.3Low58.1Low3 Ų386.3 Ų86.32%0.01546%0.456CS..Hα-helixtrans-79.2-32.6178.4179.9151.624.200113.7T429 T432 T433 V436 V444 N446 G447 L452 L453T429-M449 VanDerWaalsContact O-SD 3.37Å; T432-M449 WeakPolarHBondContact CB-SD 3.32Å; T432-M449 HydrophobicContact CG2-CB 4.11Å; T432-M449 HydrophobicContact CG2-CE 3.41Å; T432-M449 VanDerWaalsContact CG2-CE 3.41Å; T432-M449 HydrophobicContact CG2-CG 4.23Å; T432-M449 HydrophobicContact CG2-SD 3.51Å; T432-M449 VanDerWaalsContact CG2-SD 3.51Å; T432-M449 WeakPolarHBondContact O-CE 3.42Å; T433-M449 VanDerWaalsContact N-CE 3.34Å; T433-M449 PolarHBondContact N-SD 3.41Å; T433-M449 PolarHBondContact OG1-SD 3.36Å; V436-M449 HydrophobicContact CG1-CE 4.38Å; V436-M449 HydrophobicContact CG2-CE 3.5Å; V444-M449 HydrophobicContact CG1-CE 3.12Å; V444-M449 HydrophobicContact CG1-CG 4.39Å; V444-M449 HydrophobicContact CG1-SD 3.87Å; N446-M449 HydrophobicContact CB-CB 4.11Å; N446-M449 HydrophobicContact CB-CE 3.82Å; N446-M449 WeakPolarHBondContact O-CB 3.5Å; N446-M449 PolarHBondContact O-N 3.39Å; N446-M449 PolarHBondContact OD1-N 3.37Å; G447-M449 PolarHBondContact O-N 3.45Å; M449-L452 PolarHBondContact O-N 2.59Å; M449-L453 HydrophobicContact CG-CD1 4.46Å; M449-L453 WeakPolarHBondContact O-CB 3.13Å; M449-L453 WeakPolarHBondContact O-CG 3.18Å; M449-L453 PolarHBondContact O-N 2.79Å
450R60Low58.2Low98 Ų9887.9 Ų87.937%0.3747%0.465SS..Hα-helixtrans-62.6-48.6169.9-175-178.3-76.2179.7-10.6110.9N446 G447 L452 L453 E454 N489 E490N446-R450 PolarHBondContact O-N 3.04Å; G447-R450 PolarHBondContact O-N 3.22Å; R450-L452 VanDerWaalsContact C-N 3.27Å; R450-L452 PolarHBondContact O-N 3.3Å; R450-L453 WeakPolarHBondContact O-CB 3.48Å; R450-L453 PolarHBondContact O-N 3.29Å; R450-L453 VanDerWaalsContact O-N 3.15Å; R450-E454 WeakPolarHBondContact O-CG 3.28Å; R450-E454 PolarHBondContact O-N 2.82Å; R450-N489 PolarHBondContact NH2-O 2.71Å; R450-N489 VanDerWaalsContact NH2-O 3.11Å; R450-E490 IonicContact CZ-OE1 3.83Å; R450-E490 VanDerWaalsContact NH1-CD 3.31Å; R450-E490 IonicContact NH1-OE1 2.77Å; R450-E490 PolarHBondContact NH1-OE1 3.02Å
451S68.3Low58.6Low72 Ų7284.5 Ų84.550%0.50346%0.457SS..Hα-helixtrans-57.9-40.9176.8-178.90000112.3G447 E454 E455G447-S451 PolarHBondContact O-N 3.06Å; G447-S451 VanDerWaalsContact O-N 3.15Å; S451-E454 PolarHBondContact O-N 2.91Å; S451-E455 PolarHBondContact O-N 3.49Å
452L63.3Low58.9Low26 Ų2687.1 Ų87.114%0.13646%0.462CS..Hα-helixtrans-64.4-43.5175.4167.765.2000114F428 A448 M449 R450 E454 E455 T456F428-L452 HydrophobicContact CD1-CD1 3.44Å; F428-L452 VanDerWaalsContact CD1-CD1 3.44Å; F428-L452 HydrophobicContact CD1-CD2 3.25Å; F428-L452 HydrophobicContact CD1-CG 3.66Å; F428-L452 HydrophobicContact CD2-CD2 4.03Å; F428-L452 HydrophobicContact CE1-CD1 3.01Å; F428-L452 HydrophobicContact CE1-CD2 2.99Å; F428-L452 HydrophobicContact CE1-CG 3.44Å; F428-L452 VanDerWaalsContact CE1-CG 3.44Å; F428-L452 HydrophobicContact CE2-CD2 3.76Å; F428-L452 HydrophobicContact CG-CD2 3.78Å; F428-L452 HydrophobicContact CZ-CD1 3.96Å; F428-L452 HydrophobicContact CZ-CD2 3.22Å; F428-L452 HydrophobicContact CZ-CG 4.11Å; A448-L452 VanDerWaalsContact O-CB 3.26Å; A448-L452 WeakPolarHBondContact O-CB 3.39Å; A448-L452 PolarHBondContact O-N 2.96Å; A448-L452 VanDerWaalsContact O-N 3.07Å; M449-L452 PolarHBondContact O-N 2.59Å; R450-L452 VanDerWaalsContact C-N 3.27Å; R450-L452 PolarHBondContact O-N 3.3Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E455 PolarHBondContact O-N 2.93Å; L452-T456 WeakPolarHBondContact O-CB 3.47Å; L452-T456 PolarHBondContact O-N 3.31Å; L452-T456 PolarHBondContact O-OG1 2.88Å
453L61.7Low58.6Low74 Ų7486.3 Ų86.339%0.38747%0.466SS..Hα-helixtrans-59.8-44.9176.3-94.5168.7000110.6T429 M449 R450 T456 A457T429-L453 HydrophobicContact CG2-CD1 3.77Å; T429-L453 HydrophobicContact CG2-CD2 3.62Å; T429-L453 HydrophobicContact CG2-CG 3.87Å; T429-L453 WeakPolarHBondContact OG1-CD2 3.45Å; T429-L453 WeakPolarHBondContact OG1-CG 3.38Å; M449-L453 HydrophobicContact CG-CD1 4.46Å; M449-L453 WeakPolarHBondContact O-CB 3.13Å; M449-L453 WeakPolarHBondContact O-CG 3.18Å; M449-L453 PolarHBondContact O-N 2.79Å; R450-L453 WeakPolarHBondContact O-CB 3.48Å; R450-L453 PolarHBondContact O-N 3.29Å; R450-L453 VanDerWaalsContact O-N 3.15Å; L453-T456 PolarHBondContact O-N 2.96Å; L453-A457 WeakPolarHBondContact O-CB 3.2Å; L453-A457 PolarHBondContact O-N 2.76Å
454E60.5Low58.4Low120 Ų12085.8 Ų85.856%0.56146%0.458SS*.Hα-helixtrans-62.7-46.7175.5-71.4168.5-179.300112R450 S451 L452 T456 A457 A458R450-E454 WeakPolarHBondContact O-CG 3.28Å; R450-E454 PolarHBondContact O-N 2.82Å; S451-E454 PolarHBondContact O-N 2.91Å; L452-E454 VanDerWaalsContact C-N 3.3Å; E454-T456 VanDerWaalsContact C-N 3.3Å; E454-T456 PolarHBondContact O-N 2.9Å; E454-A457 PolarHBondContact O-N 3.24Å; E454-A458 WeakPolarHBondContact O-CB 3.37Å; E454-A458 PolarHBondContact O-N 3.13Å
455E65.2Low57.3Low96 Ų9689.7 Ų89.745%0.44949%0.485SS..Hα-helixtrans-60.1-42.6175.8-168.3-163.1155.700111.1S451 L452 A458 R459S451-E455 PolarHBondContact O-N 3.49Å; L452-E455 PolarHBondContact O-N 2.93Å; E455-A458 WeakPolarHBondContact O-CB 3.29Å; E455-A458 PolarHBondContact O-N 3.27Å; E455-R459 WeakPolarHBondContact O-CG 3.25Å; E455-R459 PolarHBondContact O-N 2.96Å; E455-R459 IonicContact OE1-CZ 3.42Å; E455-R459 IonicContact OE1-NE 2.97Å; E455-R459 PolarHBondContact OE1-NE 2.91Å; E455-R459 IonicContact OE1-NH2 3.36Å; E455-R459 PolarHBondContact OE1-NH2 2.96Å
456T57.2Low56.1Low25 Ų2585 Ų8515%0.15347%0.474CS..Hα-helixtrans-68-44.5-178.2-54.40000111.6A425 L452 L453 E454 A458 R459 V460A425-T456 HydrophobicContact CB-CG2 3.2Å; L452-T456 WeakPolarHBondContact O-CB 3.47Å; L452-T456 PolarHBondContact O-N 3.31Å; L452-T456 PolarHBondContact O-OG1 2.88Å; L453-T456 PolarHBondContact O-N 2.96Å; E454-T456 VanDerWaalsContact C-N 3.3Å; E454-T456 PolarHBondContact O-N 2.9Å; T456-A458 VanDerWaalsContact C-N 3.27Å; T456-A458 PolarHBondContact O-N 3.23Å; T456-R459 PolarHBondContact O-N 3.29Å; T456-V460 HydrophobicContact CG2-CG2 4.49Å; T456-V460 WeakPolarHBondContact O-CG2 3.38Å; T456-V460 PolarHBondContact O-N 3.1Å
457A55.7Low54.6Low50 Ų5089.3 Ų89.341%0.41349%0.492SS..Hα-helixtrans-59.3-40.4173.200000111.4L453 E454 K461L453-A457 WeakPolarHBondContact O-CB 3.2Å; L453-A457 PolarHBondContact O-N 2.76Å; E454-A457 PolarHBondContact O-N 3.24Å; A457-K461 WeakPolarHBondContact O-CB 3.5Å; A457-K461 WeakPolarHBondContact O-CG 3.39Å; A457-K461 PolarHBondContact O-N 2.81Å
458A61.5Low53.1Low57 Ų5788.7 Ų88.747%0.47149%0.486SS..Hα-helixtrans-64.5-42.3175.900000112.6E454 E455 T456 K461 K462E454-A458 WeakPolarHBondContact O-CB 3.37Å; E454-A458 PolarHBondContact O-N 3.13Å; E455-A458 WeakPolarHBondContact O-CB 3.29Å; E455-A458 PolarHBondContact O-N 3.27Å; T456-A458 VanDerWaalsContact C-N 3.27Å; T456-A458 PolarHBondContact O-N 3.23Å; A458-K461 PolarHBondContact O-N 3.47Å; A458-K462 VanDerWaalsContact O-CB 3.3Å; A458-K462 WeakPolarHBondContact O-CB 3.49Å; A458-K462 PolarHBondContact O-N 3.26Å
459R53.9Low51.4Low148 Ų14892 Ų9256%0.55850%0.499SS*.Hα-helixtrans-66.2-42.9176.6-78.3177.9169.3-1170.4112.7E455 T456 K461 K462 Q463E455-R459 WeakPolarHBondContact O-CG 3.25Å; E455-R459 PolarHBondContact O-N 2.96Å; E455-R459 IonicContact OE1-CZ 3.42Å; E455-R459 IonicContact OE1-NE 2.97Å; E455-R459 PolarHBondContact OE1-NE 2.91Å; E455-R459 IonicContact OE1-NH2 3.36Å; E455-R459 PolarHBondContact OE1-NH2 2.96Å; T456-R459 PolarHBondContact O-N 3.29Å; R459-K461 VanDerWaalsContact C-N 3.33Å; R459-K462 PolarHBondContact O-N 3.33Å; R459-Q463 PolarHBondContact O-N 2.95Å
460V50.7Low49.6Very low88 Ų88102.7 Ų102.753%0.53354%0.539SS..Hα-helixtrans-61.6-42.9175.4171.90000110.5T456 D464T456-V460 HydrophobicContact CG2-CG2 4.49Å; T456-V460 WeakPolarHBondContact O-CG2 3.38Å; T456-V460 PolarHBondContact O-N 3.1Å; V460-D464 WeakPolarHBondContact O-CA 3.45Å; V460-D464 WeakPolarHBondContact O-CB 3.37Å; V460-D464 PolarHBondContact O-N 3.1Å
461K50.8Low48Very low168 Ų168105.2 Ų105.273%0.7356%0.56SS**Hα-helixtrans-63-40.1173-78.6177.6176.9177.40112.9A457 A458 R459 Q467A457-K461 WeakPolarHBondContact O-CB 3.5Å; A457-K461 WeakPolarHBondContact O-CG 3.39Å; A457-K461 PolarHBondContact O-N 2.81Å; A458-K461 PolarHBondContact O-N 3.47Å; R459-K461 VanDerWaalsContact C-N 3.33Å; K461-Q467 PolarHBondContact O-NE2 3.21Å
462K54.1Low46.1Very low169 Ų169107.9 Ų107.974%0.73557%0.573SS**Hα-helixtrans-74.5-33.3-176.2-175.2176.5178.9179.50113.8A458 R459A458-K462 VanDerWaalsContact O-CB 3.3Å; A458-K462 WeakPolarHBondContact O-CB 3.49Å; A458-K462 PolarHBondContact O-N 3.26Å; R459-K462 PolarHBondContact O-N 3.33Å
463Q44.6Very low44.4Very low139 Ų139112.3 Ų112.365%0.6561%0.606SS**THydrogen-bonded Turntrans-120.428.1-172.9-63.2-176.9-6.200112.5R459 P465R459-Q463 PolarHBondContact O-N 2.95Å; Q463-P465 VanDerWaalsContact O-CD 3.28Å; Q463-P465 WeakPolarHBondContact O-CD 3.41Å; Q463-P465 VanDerWaalsContact O-N 3.13Å
464D44.6Very low43Very low69 Ų69111.8 Ų111.837%0.36962%0.618SS.*  trans-51.6116.7-175.81788.4000111.5V460 A466 Q467V460-D464 WeakPolarHBondContact O-CA 3.45Å; V460-D464 WeakPolarHBondContact O-CB 3.37Å; V460-D464 PolarHBondContact O-N 3.1Å; D464-A466 PolarHBondContact O-N 3.48Å; D464-A466 VanDerWaalsContact OD1-CB 3.3Å; D464-A466 WeakPolarHBondContact OD1-CB 3.5Å; D464-A466 PolarHBondContact OD1-N 3.35Å; D464-Q467 HydrophobicContact CB-CG 3.82Å; D464-Q467 VanDerWaalsContact O-CB 3.32Å; D464-Q467 WeakPolarHBondContact O-CB 3.47Å; D464-Q467 WeakPolarHBondContact O-CG 3.44Å; D464-Q467 PolarHBondContact O-N 3.42Å
465P34.3Very low41.3Very low137 Ų137113.3 Ų113.389%0.8963%0.63SS**THydrogen-bonded Turntrans-61.1-7.3176.8-20.632.3000114.1Q463Q463-P465 VanDerWaalsContact O-CD 3.28Å; Q463-P465 WeakPolarHBondContact O-CD 3.41Å; Q463-P465 VanDerWaalsContact O-N 3.13Å
466A35.3Very low39.5Very low64 Ų64114.3 Ų114.353%0.52964%0.639SS.*THydrogen-bonded Turntrans-97.313174.400000114.5D464 G468D464-A466 PolarHBondContact O-N 3.48Å; D464-A466 VanDerWaalsContact OD1-CB 3.3Å; D464-A466 WeakPolarHBondContact OD1-CB 3.5Å; D464-A466 PolarHBondContact OD1-N 3.35Å; A466-G468 PolarHBondContact O-N 3.4Å
467Q32.4Very low38Very low138 Ų138117.2 Ų117.265%0.64567%0.665SS**  trans-63.451.9179-69.9-104.1-12.200115.7K461 D464K461-Q467 PolarHBondContact O-NE2 3.21Å; D464-Q467 HydrophobicContact CB-CG 3.82Å; D464-Q467 VanDerWaalsContact O-CB 3.32Å; D464-Q467 WeakPolarHBondContact O-CB 3.47Å; D464-Q467 WeakPolarHBondContact O-CG 3.44Å; D464-Q467 PolarHBondContact O-N 3.42Å
468G34.7Very low36.5Very low49 Ų49120.4 Ų120.451%0.50568%0.68SS.*SBendtrans-94136.5152.400000109.7A466A466-G468 PolarHBondContact O-N 3.4Å
469T25.7Very low34.7Very low142 Ų142123.5 Ų123.587%0.87169%0.692SS**  trans-58129.2-177.5-32.40000112.3
470W27.5Very low33.3Very low228 Ų228127.5 Ų127.586%0.86471%0.708SS**  trans-107.1101.8171.3-71.681.6000109.9V472W470-V472 PolarHBondContact O-N 2.96Å
471D26.6Very low32.2Very low151 Ų151128.9 Ų128.981%0.80772%0.716SS**  trans-74.4114.4162.8-87.9-37000109S473D471-S473 PolarHBondContact O-N 3.25Å
472V28.4Very low31.1Very low127 Ų127126.1 Ų126.177%0.7771%0.709SS**  trans-86.4106.9174-173.90000108.2W470W470-V472 PolarHBondContact O-N 2.96Å
473S26.2Very low29.9Very low119 Ų119120.8 Ų120.883%0.83270%0.696SS**  trans-112.2127.7169.151.60000109.5D471D471-S473 PolarHBondContact O-N 3.25Å
474G32.4Very low29.4Very low63 Ų63119.4 Ų119.465%0.64969%0.693SS**SBendtrans130.115817500000115.4N476G474-N476 PolarHBondContact O-N 3.06Å
475D26.1Very low28.8Very low152 Ų152122.1 Ų122.181%0.81371%0.707SS**SBendtrans-76.417.6-171.1-63.3-30.5000115.6
476N27.6Very low28.7Very low118 Ų118119.3 Ų119.363%0.63169%0.689SS**  trans-138121.2-175.7-62.7-59.1000112.4G212 G474G212-N476 PolarHBondContact N-OD1 3.32Å; G474-N476 PolarHBondContact O-N 3.06Å
477A24.5Very low28.5Very low85 Ų85122.6 Ų122.670%0.70269%0.692SS**  trans-125.2139.9169.100000109.8
478V25Very low28.8Very low118 Ų118119.1 Ų119.172%0.71568%0.683SS**  trans-99.3114.3175.9179.70000108.7
479V23.6Very low28.9Very low122 Ų122121.8 Ų121.874%0.73969%0.685SS**  trans-93.4124.7176.2-1790000108.9V481V479-V481 HydrophobicContact CG1-CG2 3.97Å
480W24.9Very low29.6Very low232 Ų232119.7 Ų119.788%0.87967%0.666SS**  trans-98.3125.8169.4-60.583.2000108
481V26.8Very low30.2Very low117 Ų117117.2 Ų117.271%0.70966%0.657SS**  trans-114.7127.9173.1-166.30000108V479V479-V481 HydrophobicContact CG1-CG2 3.97Å
482D27.2Very low31Very low109 Ų109118.9 Ų118.958%0.58366%0.66SS**  trans-63.3138.1-175.1-159.6-4.6000111.7C486D482-C486 VanDerWaalsContact CG-SG 3.59Å; D482-C486 PolarHBondContact OD1-SG 3.07Å; D482-C486 WeakPolarHBondContact OD2-CB 3.41Å; D482-C486 PolarHBondContact OD2-SG 3.08Å
483A29.3Very low31.7Very low57 Ų57113.8 Ų113.847%0.47163%0.63SS.*  trans-82.3162.8-17600000111.3D485 C486A483-D485 PolarHBondContact O-N 2.77Å; A483-C486 PolarHBondContact O-N 2.64Å
484I33.5Very low32.6Very low111 Ų111110.3 Ų110.357%0.56960%0.602SS**G310 helixtrans-50-14.6-173.2-147.2159.4000116C486I484-C486 VanDerWaalsContact C-N 3.32Å; I484-C486 PolarHBondContact O-N 2.8Å
485D32.8Very low33.1Very low126 Ų126109.8 Ų109.867%0.67458%0.584SS**G310 helixtrans-73.7-18178.9-66.7-30000113.7A483 N489A483-D485 PolarHBondContact O-N 2.77Å; D485-N489 PolarHBondContact O-ND2 3.33Å
486C33.3Very low34.2Very low77 Ų77103.2 Ų103.252%0.5255%0.55SS.*G310 helixtrans-86.1-16.1-179.4-84.20000115D482 A483 I484D482-C486 VanDerWaalsContact CG-SG 3.59Å; D482-C486 PolarHBondContact OD1-SG 3.07Å; D482-C486 WeakPolarHBondContact OD2-CB 3.41Å; D482-C486 PolarHBondContact OD2-SG 3.08Å; A483-C486 PolarHBondContact O-N 2.64Å; I484-C486 VanDerWaalsContact C-N 3.32Å; I484-C486 PolarHBondContact O-N 2.8Å
487F30.6Very low35.4Very low133 Ų133101.7 Ų101.758%0.58354%0.54SS*.THydrogen-bonded Turntrans-97-19.4-171-86.6-83.3000115.3L495F487-L495 HydrophobicContact CB-CD2 3.63Å; F487-L495 HydrophobicContact CD1-CD2 4.22Å; F487-L495 HydrophobicContact CG-CD2 4.25Å
488C37.6Very low36.6Very low66 Ų6699.5 Ų99.545%0.44652%0.516SS..SBendtrans-102.11-175-62.50000114.6E490C488-E490 VanDerWaalsContact C-N 3.31Å; C488-E490 PolarHBondContact O-N 2.83Å
489N38.1Very low37.9Very low105 Ų10595.5 Ų95.556%0.56149%0.491SS*.  trans-83.41-177.5-78.8-34.8000114.6R450 D485R450-N489 PolarHBondContact NH2-O 2.71Å; R450-N489 VanDerWaalsContact NH2-O 3.11Å; D485-N489 PolarHBondContact O-ND2 3.33Å
490E40.3Very low39.5Very low98 Ų9895.7 Ų95.746%0.45848%0.479SS..  trans-100.6107.8168.5-87-169.6171.600110.1R450 C488 E492 S493 A496R450-E490 IonicContact CZ-OE1 3.83Å; R450-E490 VanDerWaalsContact NH1-CD 3.31Å; R450-E490 IonicContact NH1-OE1 2.77Å; R450-E490 PolarHBondContact NH1-OE1 3.02Å; C488-E490 VanDerWaalsContact C-N 3.31Å; C488-E490 PolarHBondContact O-N 2.83Å; E490-E492 PolarHBondContact O-N 3.48Å; E490-E492 VanDerWaalsContact O-N 3.08Å; E490-S493 PolarHBondContact O-N 3.4Å; E490-S493 PolarHBondContact O-OG 3.35Å; E490-A496 WeakPolarHBondContact O-CB 3.44Å
491Y39.2Very low41.3Very low176 Ų17690.4 Ų90.469%0.6946%0.464SS*.THydrogen-bonded Turntrans-60.1-20.7-179.6-137.3-89.2000113R500Y491-R500 PolarHBondContact O-NH2 3.35Å
492E43.3Very low42.7Very low186 Ų18687.2 Ų87.287%0.86944%0.441SS*.THydrogen-bonded Turntrans-107.86.5176.6-61.5-138.2151.300114.1E490 I494E490-E492 PolarHBondContact O-N 3.48Å; E490-E492 VanDerWaalsContact O-N 3.08Å; E492-I494 PolarHBondContact O-N 3.02Å
493S44.4Very low44.2Very low19 Ų1988.2 Ų88.213%0.13344%0.437CS..  trans-66.2144176.975.20000110.2E490 L495 A496 Q497E490-S493 PolarHBondContact O-N 3.4Å; E490-S493 PolarHBondContact O-OG 3.35Å; S493-L495 PolarHBondContact O-N 3.47Å; S493-L495 VanDerWaalsContact O-N 3.13Å; S493-A496 CarbonylContact O-C 3.32Å; S493-A496 WeakPolarHBondContact O-CA 3.12Å; S493-A496 WeakPolarHBondContact O-CB 3.32Å; S493-A496 PolarHBondContact O-N 3.49Å; S493-A496 VanDerWaalsContact OG-CB 3.31Å; S493-A496 WeakPolarHBondContact OG-CB 3.02Å; S493-A496 PolarHBondContact OG-N 3.36Å; S493-Q497 PolarHBondContact O-N 2.86Å
494I45.1Very low45.7Very low47 Ų4788.3 Ų88.324%0.24143%0.427CS..Hα-helixtrans-53.9-34.7174.9-65.3169.2000110.4E492 Q497 L498 Y553 Q554E492-I494 PolarHBondContact O-N 3.02Å; I494-Q497 PolarHBondContact O-N 3.06Å; I494-L498 HydrophobicContact CG2-CD1 4.02Å; I494-L498 WeakPolarHBondContact O-CB 3.19Å; I494-L498 PolarHBondContact O-N 2.85Å; I494-Y553 VanDerWaalsContact CD1-O 3.25Å; I494-Y553 WeakPolarHBondContact CD1-O 3.41Å; I494-Q554 HydrophobicContact CD1-CB 3.79Å; I494-Q554 HydrophobicContact CD1-CG 3.93Å
495L42.8Very low46.6Very low52 Ų5286 Ų8627%0.27242%0.42SS..Hα-helixtrans-68.9-41.9175.1-165.176.3000112.1F487 S493 Q497 L498 V499 V514F487-L495 HydrophobicContact CB-CD2 3.63Å; F487-L495 HydrophobicContact CD1-CD2 4.22Å; F487-L495 HydrophobicContact CG-CD2 4.25Å; S493-L495 PolarHBondContact O-N 3.47Å; S493-L495 VanDerWaalsContact O-N 3.13Å; L495-Q497 VanDerWaalsContact C-N 3.27Å; L495-Q497 PolarHBondContact O-N 3.32Å; L495-L498 PolarHBondContact O-N 3.29Å; L495-V499 WeakPolarHBondContact O-CB 3.35Å; L495-V499 VanDerWaalsContact O-CG2 3.25Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 3.28Å; L495-V514 HydrophobicContact CD1-CB 4.4Å; L495-V514 HydrophobicContact CD1-CG1 4.16Å; L495-V514 HydrophobicContact CD1-CG2 4.11Å
496A47.6Very low48.3Very low13 Ų1386.6 Ų86.611%0.10742%0.419CS..Hα-helixtrans-64.7-32.7174.100000112.1E490 S493 R500E490-A496 WeakPolarHBondContact O-CB 3.44Å; S493-A496 CarbonylContact O-C 3.32Å; S493-A496 WeakPolarHBondContact O-CA 3.12Å; S493-A496 WeakPolarHBondContact O-CB 3.32Å; S493-A496 PolarHBondContact O-N 3.49Å; S493-A496 VanDerWaalsContact OG-CB 3.31Å; S493-A496 WeakPolarHBondContact OG-CB 3.02Å; S493-A496 PolarHBondContact OG-N 3.36Å; A496-R500 WeakPolarHBondContact O-CB 3.23Å; A496-R500 PolarHBondContact O-N 2.89Å
497Q53.5Low49.7Very low87 Ų8790.2 Ų90.241%0.40743%0.425SS..Hα-helixtrans-68.8-47173.4-162171.14.200111.2S493 I494 L495 V499 R500 E501S493-Q497 PolarHBondContact O-N 2.86Å; I494-Q497 PolarHBondContact O-N 3.06Å; L495-Q497 VanDerWaalsContact C-N 3.27Å; L495-Q497 PolarHBondContact O-N 3.32Å; Q497-V499 PolarHBondContact O-N 3.43Å; Q497-R500 WeakPolarHBondContact O-CB 3.17Å; Q497-R500 PolarHBondContact O-N 3.46Å; Q497-R500 VanDerWaalsContact O-N 3.13Å; Q497-E501 WeakPolarHBondContact O-CG 3.49Å; Q497-E501 PolarHBondContact O-N 3.3Å
498L49.1Very low50.6Low38 Ų3885.4 Ų85.420%0.19941%0.413CS..Hα-helixtrans-57.1-46.8171.8-108.9125.2000111.9I494 L495 R500 E501 Q502 F552I494-L498 HydrophobicContact CG2-CD1 4.02Å; I494-L498 WeakPolarHBondContact O-CB 3.19Å; I494-L498 PolarHBondContact O-N 2.85Å; L495-L498 PolarHBondContact O-N 3.29Å; L498-R500 VanDerWaalsContact C-N 3.31Å; L498-R500 PolarHBondContact O-N 2.97Å; L498-E501 PolarHBondContact O-N 2.96Å; L498-Q502 VanDerWaalsContact O-CB 3.3Å; L498-Q502 WeakPolarHBondContact O-CB 3.02Å; L498-Q502 WeakPolarHBondContact O-CG 3.26Å; L498-Q502 PolarHBondContact O-N 3.36Å; L498-F552 HydrophobicContact CD1-CE1 4.23Å; L498-F552 HydrophobicContact CD1-CE2 3.6Å; L498-F552 HydrophobicContact CD1-CZ 3.34Å; L498-F552 HydrophobicContact CD2-CE2 4.19Å; L498-F552 HydrophobicContact CD2-CZ 4.07Å; L498-F552 HydrophobicContact CG-CE2 4.47Å; L498-F552 HydrophobicContact CG-CZ 4.35Å
499V52.6Low51Low34 Ų3483.3 Ų83.321%0.20640%0.399CS..Hα-helixtrans-63-40176.9172.10000110L495 Q497 E501 Q502 W503 V512L495-V499 WeakPolarHBondContact O-CB 3.35Å; L495-V499 VanDerWaalsContact O-CG2 3.25Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 3.28Å; Q497-V499 PolarHBondContact O-N 3.43Å; V499-E501 PolarHBondContact O-N 3.01Å; V499-Q502 PolarHBondContact O-N 2.9Å; V499-W503 HydrophobicContact CG1-CB 4.08Å; V499-W503 WeakPolarHBondContact O-CA 3.23Å; V499-W503 WeakPolarHBondContact O-CB 3.29Å; V499-W503 PolarHBondContact O-N 3.45Å; V499-V512 HydrophobicContact CG2-CG1 4.42Å
500R58.6Low51.6Low127 Ų12782.1 Ų82.148%0.47940%0.395SS..Hα-helixtrans-64.6-38.6177-124.9-178.3-63.5155.82.2113.7Y491 A496 Q497 L498 Q502Y491-R500 PolarHBondContact O-NH2 3.35Å; A496-R500 WeakPolarHBondContact O-CB 3.23Å; A496-R500 PolarHBondContact O-N 2.89Å; Q497-R500 WeakPolarHBondContact O-CB 3.17Å; Q497-R500 PolarHBondContact O-N 3.46Å; Q497-R500 VanDerWaalsContact O-N 3.13Å; L498-R500 VanDerWaalsContact C-N 3.31Å; L498-R500 PolarHBondContact O-N 2.97Å; R500-Q502 VanDerWaalsContact C-N 3.26Å
501E61.9Low51.7Low120 Ų12079 Ų7956%0.56138%0.381SS*.Hα-helixtrans-72.7-22.4178.8-72.1176.1-173.800112.3Q497 L498 V499 H504Q497-E501 WeakPolarHBondContact O-CG 3.49Å; Q497-E501 PolarHBondContact O-N 3.3Å; L498-E501 PolarHBondContact O-N 2.96Å; V499-E501 PolarHBondContact O-N 3.01Å; E501-H504 PolarHBondContact O-NE2 3.46Å
502Q56.7Low51.6Low50 Ų5072.6 Ų72.623%0.23436%0.359CS..Hα-helixtrans-105.5-27.3-176.3-61.8-62.5-18.100113.4C158 L498 V499 R500 H504 V509 V512C158-Q502 PolarHBondContact SG-NE2 3.46Å; C158-Q502 PolarHBondContact SG-OE1 2.97Å; L498-Q502 VanDerWaalsContact O-CB 3.3Å; L498-Q502 WeakPolarHBondContact O-CB 3.02Å; L498-Q502 WeakPolarHBondContact O-CG 3.26Å; L498-Q502 PolarHBondContact O-N 3.36Å; V499-Q502 PolarHBondContact O-N 2.9Å; R500-Q502 VanDerWaalsContact C-N 3.26Å; Q502-H504 PolarHBondContact O-N 3.43Å; Q502-V509 WeakPolarHBondContact O-CG1 3.16Å; Q502-V512 HydrophobicContact CB-CG1 3.9Å; Q502-V512 HydrophobicContact CB-CG2 4.13Å
503W58.3Low51.4Low131 Ų13165.5 Ų65.550%0.49633%0.325SS..  trans-88.698.6-176.4-170.742.8000110.8V499 P505 V509 V512V499-W503 HydrophobicContact CG1-CB 4.08Å; V499-W503 WeakPolarHBondContact O-CA 3.23Å; V499-W503 WeakPolarHBondContact O-CB 3.29Å; V499-W503 PolarHBondContact O-N 3.45Å; W503-P505 VanDerWaalsContact C-CD 3.47Å; W503-P505 HydrophobicContact CD2-CG 4.48Å; W503-P505 HydrophobicContact CZ2-CG 4.28Å; W503-P505 WeakPolarHBondContact O-CD 3.21Å; W503-V509 VanDerWaalsContact CD1-O 3.24Å; W503-V512 HydrophobicContact CB-CG2 3.68Å; W503-V512 HydrophobicContact CG-CG2 4.22Å
504H61.4Low51.2Low58 Ų5867.6 Ų67.627%0.26934%0.337SS..  trans-118.274.8176.7-69.7-65.9000111.1E501 Q502 E506 K507 G508 V509E501-H504 PolarHBondContact O-NE2 3.46Å; Q502-H504 PolarHBondContact O-N 3.43Å; H504-E506 WeakPolarHBondContact CB-OE1 3.31Å; H504-E506 IonicContact CG-OE1 2.66Å; H504-E506 IonicContact ND1-OE1 3.14Å; H504-E506 PolarHBondContact ND1-OE1 2.98Å; H504-E506 PolarHBondContact O-N 3.08Å; H504-K507 HydrophobicContact CB-CB 3.93Å; H504-K507 HydrophobicContact CB-CD 3.92Å; H504-K507 HydrophobicContact CB-CG 4.01Å; H504-K507 CarbonylContact O-C 3.51Å; H504-K507 WeakPolarHBondContact O-CA 3.41Å; H504-K507 PolarHBondContact O-N 3.41Å; H504-G508 PolarHBondContact O-N 2.68Å; H504-V509 CarbonylContact C-O 3.51Å; H504-V509 HydrophobicContact CB-CB 4.33Å; H504-V509 HydrophobicContact CB-CG2 4.37Å; H504-V509 WeakPolarHBondContact O-CB 3.42Å; H504-V509 PolarHBondContact O-N 3.38Å
505P51Low51.3Low63 Ų6372 Ų7241%0.40936%0.356SS..G310 helixtrans-58.8-29.8179.821.6-30.9000112.8W503 K507 G508 V509W503-P505 VanDerWaalsContact C-CD 3.47Å; W503-P505 HydrophobicContact CD2-CG 4.48Å; W503-P505 HydrophobicContact CZ2-CG 4.28Å; W503-P505 WeakPolarHBondContact O-CD 3.21Å; P505-K507 PolarHBondContact O-N 2.95Å; P505-G508 PolarHBondContact O-N 2.83Å; P505-V509 WeakPolarHBondContact CA-O 3.42Å
506E68.3Low51.7Low139 Ų13973.6 Ų73.665%0.6536%0.359SS*.G310 helixtrans-64.5-22.6172.870.5-72169.900113.7H504H504-E506 WeakPolarHBondContact CB-OE1 3.31Å; H504-E506 IonicContact CG-OE1 2.66Å; H504-E506 IonicContact ND1-OE1 3.14Å; H504-E506 PolarHBondContact ND1-OE1 2.98Å; H504-E506 PolarHBondContact O-N 3.08Å
507K63.5Low51.8Low153 Ų15375.5 Ų75.567%0.66537%0.367SS*.G310 helixtrans-97.34.7173.5-60.7-178.3-174.9166.40112.8H504 P505H504-K507 HydrophobicContact CB-CB 3.93Å; H504-K507 HydrophobicContact CB-CD 3.92Å; H504-K507 HydrophobicContact CB-CG 4.01Å; H504-K507 CarbonylContact O-C 3.51Å; H504-K507 WeakPolarHBondContact O-CA 3.41Å; H504-K507 PolarHBondContact O-N 3.41Å; P505-K507 PolarHBondContact O-N 2.95Å
508G49.9Very low51.5Low32 Ų3275.6 Ų75.633%0.3338%0.375SS..THydrogen-bonded Turntrans86.17.1-176.100000114.4S152 H504 P505 T510S152-G508 PolarHBondContact OG-O 3.36Å; H504-G508 PolarHBondContact O-N 2.68Å; P505-G508 PolarHBondContact O-N 2.83Å; G508-T510 PolarHBondContact O-N 3.21Å
509V46.1Very low52.1Low22 Ų2277.6 Ų77.613%0.13339%0.389CS..  trans-83.296174.2178.50000109.1V154 Q502 W503 H504 P505 V512V154-V509 HydrophobicContact CB-CG1 3.76Å; V154-V509 HydrophobicContact CG1-CG1 4.19Å; V154-V509 HydrophobicContact CG2-CB 3.87Å; V154-V509 HydrophobicContact CG2-CG1 3.34Å; V154-V509 HydrophobicContact CG2-CG2 3.63Å; Q502-V509 WeakPolarHBondContact O-CG1 3.16Å; W503-V509 VanDerWaalsContact CD1-O 3.24Å; H504-V509 CarbonylContact C-O 3.51Å; H504-V509 HydrophobicContact CB-CB 4.33Å; H504-V509 HydrophobicContact CB-CG2 4.37Å; H504-V509 WeakPolarHBondContact O-CB 3.42Å; H504-V509 PolarHBondContact O-N 3.38Å; P505-V509 WeakPolarHBondContact CA-O 3.42Å; V509-V512 HydrophobicContact CG1-CG2 4.44Å
510T49.3Very low52.9Low80 Ų8076 Ų7649%0.49138%0.379SS..  trans-98.8-11.6-176.255.40000114.5G508G508-T510 PolarHBondContact O-N 3.21Å
511E44Very low53.4Low33 Ų3373.9 Ų73.915%0.15437%0.374CS..  trans-136.8137.7-179.4-61-178.4-179.100109.1V154 Y513V154-E511 WeakPolarHBondContact CB-O 3.35Å; E511-Y513 HydrophobicContact CB-CE2 3.9Å; E511-Y513 PolarHBondContact OE2-OH 3.24Å
512V36.7Very low54Low40 Ų4072.9 Ų72.924%0.24237%0.369CS..BIsolated β-bridgetrans-121.8124.9175.1177.70000108.5V499 Q502 W503 V509 V514V499-V512 HydrophobicContact CG2-CG1 4.42Å; Q502-V512 HydrophobicContact CB-CG1 3.9Å; Q502-V512 HydrophobicContact CB-CG2 4.13Å; W503-V512 HydrophobicContact CB-CG2 3.68Å; W503-V512 HydrophobicContact CG-CG2 4.22Å; V509-V512 HydrophobicContact CG1-CG2 4.44Å; V512-V514 HydrophobicContact CG1-CG2 4.45Å
513Y38.8Very low55.2Low37 Ų3772.4 Ų72.415%0.14537%0.366CS..  trans-103.3142.8176.2-72.2-90.4000110.2C133 I153 V154 V156 E511C133-Y513 HydrophobicContact CB-CE1 4.06Å; C133-Y513 WeakPolarHBondContact SG-CE1 3.31Å; C133-Y513 PolarHBondContact SG-OH 2.87Å; I153-Y513 HydrophobicContact CG2-CD2 4.08Å; I153-Y513 HydrophobicContact CG2-CE2 3.72Å; V154-Y513 WeakPolarHBondContact O-CD2 3.42Å; V156-Y513 WeakPolarHBondContact CA-O 3.36Å; V156-Y513 WeakPolarHBondContact CB-O 3.42Å; V156-Y513 WeakPolarHBondContact CG1-O 3.3Å; V156-Y513 VanDerWaalsContact CG2-C 3.44Å; V156-Y513 WeakPolarHBondContact CG2-O 3.38Å; E511-Y513 HydrophobicContact CB-CE2 3.9Å; E511-Y513 PolarHBondContact OE2-OH 3.24Å
514V40.8Very low56Low63 Ų6366.2 Ų66.238%0.38234%0.343SS..  trans-132116.7174.1-174.70000109.4L495 V512L495-V514 HydrophobicContact CD1-CB 4.4Å; L495-V514 HydrophobicContact CD1-CG1 4.16Å; L495-V514 HydrophobicContact CD1-CG2 4.11Å; V512-V514 HydrophobicContact CG1-CG2 4.45Å
515H45.9Very low56.4Low141 Ų14167 Ų6765%0.65335%0.349SS*.  trans-132.1126.4-178.8-173.661.9000109.8V156V156-H515 HydrophobicContact CG2-CB 4.09Å
516R51.6Low57.4Low85 Ų8565.2 Ų65.232%0.32134%0.336SS..  trans-137.9158.5-179.5-67-68.1-82.7-114-11.6110.9P518 E549R516-P518 WeakPolarHBondContact O-CD 3.47Å; R516-E549 IonicContact CZ-OE1 2.79Å; R516-E549 IonicContact CZ-OE2 2.76Å; R516-E549 IonicContact NE-OE1 3.41Å; R516-E549 PolarHBondContact NE-OE1 3.03Å; R516-E549 IonicContact NE-OE2 3.12Å; R516-E549 PolarHBondContact NE-OE2 3.16Å; R516-E549 VanDerWaalsContact NE-OE2 3.14Å; R516-E549 IonicContact NH2-OE1 2.71Å; R516-E549 PolarHBondContact NH2-OE1 3.5Å; R516-E549 VanDerWaalsContact NH2-OE1 3.12Å; R516-E549 IonicContact NH2-OE2 3.69Å; R516-E549 PolarHBondContact NH2-OE2 3.23Å
517D50Low57.8Low52 Ų5260.2 Ų60.228%0.27831%0.311SS..  trans-64113.4-173-172.7-17.6000111.4T519 V520D517-T519 PolarHBondContact O-N 2.79Å; D517-T519 WeakPolarHBondContact OD1-CB 3.19Å; D517-T519 PolarHBondContact OD1-N 2.89Å; D517-T519 PolarHBondContact OD1-OG1 3.17Å; D517-V520 PolarHBondContact O-N 3.05Å
518P48Very low57.9Low89 Ų8958.2 Ų58.258%0.57831%0.307SS*.Hα-helixtrans-66.4-20-17928.6-35.1000112.8R516 V520 F521R516-P518 WeakPolarHBondContact O-CD 3.47Å; P518-V520 PolarHBondContact O-N 2.68Å; P518-F521 PolarHBondContact O-N 3.05Å
519T60.5Low58.4Low80 Ų8065.3 Ų65.349%0.49132%0.324SS..Hα-helixtrans-59.8-36.2-178.2-43.90000111.5D517 L542D517-T519 PolarHBondContact O-N 2.79Å; D517-T519 WeakPolarHBondContact OD1-CB 3.19Å; D517-T519 PolarHBondContact OD1-N 2.89Å; D517-T519 PolarHBondContact OD1-OG1 3.17Å; T519-L542 HydrophobicContact CG2-CD2 3.85Å
520V69.9Low59.4Low0 Ų067.6 Ų67.60%034%0.335CS..Hα-helixtrans-92.8-28.7-176.8-176.80000111.5D517 P518 Q522 F523 V524 L542 Q545 L546 E549D517-V520 PolarHBondContact O-N 3.05Å; P518-V520 PolarHBondContact O-N 2.68Å; V520-Q522 PolarHBondContact O-N 3.3Å; V520-F523 WeakPolarHBondContact O-CB 3.37Å; V520-F523 PolarHBondContact O-N 2.85Å; V520-V524 PolarHBondContact O-N 3.33Å; V520-L542 HydrophobicContact CG2-CD2 4.25Å; V520-Q545 HydrophobicContact CG2-CB 3.68Å; V520-L546 HydrophobicContact CG1-CB 3.67Å; V520-L546 HydrophobicContact CG1-CD1 3.44Å; V520-L546 VanDerWaalsContact CG1-CD1 3.44Å; V520-L546 HydrophobicContact CG1-CG 4.13Å; V520-E549 HydrophobicContact CB-CG 4.03Å; V520-E549 HydrophobicContact CG1-CB 3.95Å; V520-E549 HydrophobicContact CG1-CG 3.58Å
521F69.7Low60.7Low83 Ų8365.1 Ų65.136%0.36433%0.326SS..Hα-helixtrans-57.4-33.9-176.7-168.4-113.7000112.9P518 F523 V524 L525P518-F521 PolarHBondContact O-N 3.05Å; F521-F523 VanDerWaalsContact C-N 3.27Å; F521-F523 PolarHBondContact O-N 3.23Å; F521-V524 WeakPolarHBondContact O-CB 3.49Å; F521-V524 PolarHBondContact O-N 3.12Å; F521-L525 HydrophobicContact CD1-CD1 3.66Å; F521-L525 HydrophobicContact CD1-CG 3.92Å; F521-L525 HydrophobicContact CE1-CD1 3.51Å; F521-L525 HydrophobicContact CE1-CD2 3.93Å; F521-L525 HydrophobicContact CE1-CG 3.68Å; F521-L525 HydrophobicContact CZ-CD1 4.36Å; F521-L525 HydrophobicContact CZ-CD2 3.97Å; F521-L525 HydrophobicContact CZ-CG 4.07Å; F521-L525 WeakPolarHBondContact O-CB 3.5Å; F521-L525 WeakPolarHBondContact O-CG 3.38Å; F521-L525 PolarHBondContact O-N 2.77Å
522Q74Confident62.2Low100 Ų10070.4 Ų70.447%0.46735%0.354SS..Hα-helixtrans-58.6-36.6173.4-179.561.260.300112.7V520 N526V520-Q522 PolarHBondContact O-N 3.3Å; Q522-N526 PolarHBondContact NE2-ND2 3.24Å; Q522-N526 PolarHBondContact NE2-OD1 3.28Å; Q522-N526 VanDerWaalsContact O-CB 3.28Å; Q522-N526 WeakPolarHBondContact O-CB 3.17Å; Q522-N526 PolarHBondContact O-N 3.45Å; Q522-N526 PolarHBondContact O-ND2 2.92Å
523F81.4Confident64Low39 Ų3977.1 Ų77.117%0.17138%0.38CS..Hα-helixtrans-75.3-35.1177.6-60.6-71.4000111.9V520 F521 N526 Y527 V535 P537 L542 L546V520-F523 WeakPolarHBondContact O-CB 3.37Å; V520-F523 PolarHBondContact O-N 2.85Å; F521-F523 VanDerWaalsContact C-N 3.27Å; F521-F523 PolarHBondContact O-N 3.23Å; F523-N526 PolarHBondContact O-N 3.22Å; F523-Y527 WeakPolarHBondContact O-CB 3.47Å; F523-Y527 PolarHBondContact O-N 3.31Å; F523-V535 WeakPolarHBondContact CD1-O 3.46Å; F523-P537 HydrophobicContact CD1-CB 4.45Å; F523-P537 VanDerWaalsContact CD1-CD 3.47Å; F523-P537 HydrophobicContact CD1-CG 4.19Å; F523-P537 HydrophobicContact CD2-CB 4.41Å; F523-P537 HydrophobicContact CD2-CG 3.98Å; F523-P537 HydrophobicContact CE1-CB 3.86Å; F523-P537 HydrophobicContact CE1-CG 4.1Å; F523-P537 HydrophobicContact CE2-CB 3.84Å; F523-P537 HydrophobicContact CE2-CG 3.91Å; F523-P537 HydrophobicContact CG-CG 4.13Å; F523-P537 HydrophobicContact CZ-CB 3.54Å; F523-P537 HydrophobicContact CZ-CG 3.98Å; F523-L542 HydrophobicContact CE2-CD2 4.36Å; F523-L546 HydrophobicContact CB-CD1 3.77Å; F523-L546 HydrophobicContact CB-CD2 3.57Å; F523-L546 HydrophobicContact CB-CG 4.31Å; F523-L546 HydrophobicContact CG-CD2 4.2Å
524V75.2Confident65.9Low2 Ų275.9 Ų75.91%0.01238%0.377CS..Hα-helixtrans-60.9-50.1169.6172.30000110.2V520 F521 N526 Y527 L528 L546 E549 Y553 L555V520-V524 PolarHBondContact O-N 3.33Å; F521-V524 WeakPolarHBondContact O-CB 3.49Å; F521-V524 PolarHBondContact O-N 3.12Å; V524-N526 PolarHBondContact O-N 3.32Å; V524-Y527 PolarHBondContact O-N 2.9Å; V524-L528 HydrophobicContact CG1-CD1 4Å; V524-L528 HydrophobicContact CG1-CG 4.44Å; V524-L528 WeakPolarHBondContact O-CG 3.22Å; V524-L528 PolarHBondContact O-N 3.23Å; V524-L546 HydrophobicContact CG2-CD1 3.62Å; V524-E549 HydrophobicContact CG2-CB 4.12Å; V524-Y553 HydrophobicContact CG1-CD2 4.08Å; V524-Y553 HydrophobicContact CG1-CE2 4.38Å; V524-Y553 HydrophobicContact CG2-CD2 4.18Å; V524-Y553 HydrophobicContact CG2-CE2 4.39Å; V524-L555 HydrophobicContact CB-CD1 4.46Å; V524-L555 HydrophobicContact CG1-CD1 3.85Å; V524-L555 HydrophobicContact CG2-CD1 4.21Å
525L69.5Low67.9Low74 Ų7478 Ų7839%0.38739%0.39SS..Hα-helixtrans-60.1-42.7175.8-73.8177.6000112.3F521 Y527 L528 R529F521-L525 HydrophobicContact CD1-CD1 3.66Å; F521-L525 HydrophobicContact CD1-CG 3.92Å; F521-L525 HydrophobicContact CE1-CD1 3.51Å; F521-L525 HydrophobicContact CE1-CD2 3.93Å; F521-L525 HydrophobicContact CE1-CG 3.68Å; F521-L525 HydrophobicContact CZ-CD1 4.36Å; F521-L525 HydrophobicContact CZ-CD2 3.97Å; F521-L525 HydrophobicContact CZ-CG 4.07Å; F521-L525 WeakPolarHBondContact O-CB 3.5Å; F521-L525 WeakPolarHBondContact O-CG 3.38Å; F521-L525 PolarHBondContact O-N 2.77Å; L525-Y527 VanDerWaalsContact C-N 3.33Å; L525-Y527 PolarHBondContact O-N 3.19Å; L525-L528 PolarHBondContact O-N 2.8Å; L525-R529 VanDerWaalsContact O-CB 3.28Å; L525-R529 WeakPolarHBondContact O-CB 3.45Å; L525-R529 PolarHBondContact O-N 2.89Å
526N71.7Confident69.7Low26 Ų2672.7 Ų72.714%0.13937%0.366CS..Hα-helixtrans-63.1-40.5176.3-78.1-23.2000111.5Q522 F523 V524 R529 N530 A534Q522-N526 PolarHBondContact NE2-ND2 3.24Å; Q522-N526 PolarHBondContact NE2-OD1 3.28Å; Q522-N526 VanDerWaalsContact O-CB 3.28Å; Q522-N526 WeakPolarHBondContact O-CB 3.17Å; Q522-N526 PolarHBondContact O-N 3.45Å; Q522-N526 PolarHBondContact O-ND2 2.92Å; F523-N526 PolarHBondContact O-N 3.22Å; V524-N526 PolarHBondContact O-N 3.32Å; N526-R529 PolarHBondContact O-N 3.42Å; N526-R529 PolarHBondContact OD1-NH2 3.02Å; N526-N530 WeakPolarHBondContact O-CB 3.16Å; N526-N530 PolarHBondContact O-N 2.96Å; N526-A534 VanDerWaalsContact C-CB 3.47Å; N526-A534 HydrophobicContact CB-CB 4.17Å; N526-A534 WeakPolarHBondContact O-CB 3.22Å
527Y76.8Confident71.3Confident33 Ų3369.1 Ų69.113%0.12935%0.354CS..Hα-helixtrans-64.2-45.3174.2179.3-99.2000111.9F523 V524 L525 R529 G531 A534 L555 G557 L558F523-Y527 WeakPolarHBondContact O-CB 3.47Å; F523-Y527 PolarHBondContact O-N 3.31Å; V524-Y527 PolarHBondContact O-N 2.9Å; L525-Y527 VanDerWaalsContact C-N 3.33Å; L525-Y527 PolarHBondContact O-N 3.19Å; Y527-R529 VanDerWaalsContact C-N 3.27Å; Y527-R529 PolarHBondContact O-N 3.17Å; Y527-G531 WeakPolarHBondContact CD2-O 3.49Å; Y527-G531 WeakPolarHBondContact O-CA 3.3Å; Y527-G531 PolarHBondContact O-N 2.91Å; Y527-A534 VanDerWaalsContact CA-CB 3.47Å; Y527-L555 HydrophobicContact CD1-CD1 4.25Å; Y527-L555 HydrophobicContact CE1-CB 4.29Å; Y527-G557 WeakPolarHBondContact OH-CA 3.09Å; Y527-L558 HydrophobicContact CD1-CB 3.87Å; Y527-L558 HydrophobicContact CD1-CD2 4.05Å; Y527-L558 HydrophobicContact CD1-CG 4.44Å; Y527-L558 HydrophobicContact CD2-CB 3.93Å; Y527-L558 HydrophobicContact CD2-CD1 3.73Å; Y527-L558 HydrophobicContact CD2-CD2 4.24Å; Y527-L558 HydrophobicContact CD2-CG 4.14Å; Y527-L558 HydrophobicContact CE1-CB 3.67Å; Y527-L558 HydrophobicContact CE2-CB 3.72Å; Y527-L558 HydrophobicContact CE2-CD1 4.07Å; Y527-L558 HydrophobicContact CE2-CG 4.37Å; Y527-L558 HydrophobicContact CG-CB 3.99Å; Y527-L558 HydrophobicContact CG-CD1 4.16Å; Y527-L558 HydrophobicContact CG-CD2 3.8Å; Y527-L558 HydrophobicContact CG-CG 4.17Å; Y527-L558 PolarHBondContact OH-N 3.3Å
528L66.4Low72.9Confident111 Ų11174.1 Ų74.158%0.58138%0.381SS*.Hα-helixtrans-62.2-34.5175.4-67.4172.7000112.1V524 L525 L555V524-L528 HydrophobicContact CG1-CD1 4Å; V524-L528 HydrophobicContact CG1-CG 4.44Å; V524-L528 WeakPolarHBondContact O-CG 3.22Å; V524-L528 PolarHBondContact O-N 3.23Å; L525-L528 PolarHBondContact O-N 2.8Å; L528-L555 HydrophobicContact CD2-CD2 3.88Å
529R59.4Low74.5Confident182 Ų18273.9 Ų73.969%0.68737%0.374SS*.Hα-helixtrans-79.8-43.8-179.8-170.2177.467.6171.6-6.5113.9L525 N526 Y527L525-R529 VanDerWaalsContact O-CB 3.28Å; L525-R529 WeakPolarHBondContact O-CB 3.45Å; L525-R529 PolarHBondContact O-N 2.89Å; N526-R529 PolarHBondContact O-N 3.42Å; N526-R529 PolarHBondContact OD1-NH2 3.02Å; Y527-R529 VanDerWaalsContact C-N 3.27Å; Y527-R529 PolarHBondContact O-N 3.17Å
530N68.4Low75.6Confident69 Ų6976.7 Ų76.737%0.36938%0.376SS..Hα-helixtrans-110.8-2.9-168.9-61.1-16.1000113N526 K533 A534N526-N530 WeakPolarHBondContact O-CB 3.16Å; N526-N530 PolarHBondContact O-N 2.96Å; N530-K533 HydrophobicContact CB-CB 4.36Å; N530-K533 WeakPolarHBondContact O-CB 3.29Å; N530-K533 PolarHBondContact O-N 2.68Å; N530-K533 VanDerWaalsContact O-N 3.13Å; N530-A534 HydrophobicContact CB-CB 4.19Å
531G75.9Confident76.1Confident29 Ų2980.9 Ų80.930%0.29940%0.402SS..G310 helixtrans56.7-139.1-172.200000111.7Y527 K533 A534Y527-G531 WeakPolarHBondContact CD2-O 3.49Å; Y527-G531 WeakPolarHBondContact O-CA 3.3Å; Y527-G531 PolarHBondContact O-N 2.91Å; G531-K533 PolarHBondContact O-N 2.88Å; G531-A534 VanDerWaalsContact O-CB 3.22Å; G531-A534 WeakPolarHBondContact O-CB 3.47Å; G531-A534 PolarHBondContact O-N 3.38Å
532I74.9Confident76.7Confident143 Ų14378.7 Ų78.773%0.73339%0.394SS*.G310 helixtrans-60.3-13.8176.362.9167000114.2L561I532-L561 HydrophobicContact CG2-CD1 4.32Å
533K76Confident77.4Confident182 Ų18274.6 Ų74.679%0.79138%0.375SS*.G310 helixtrans-82.2-1.9175-57.7-178.6177.8178.90112.6N530 G531 V535N530-K533 HydrophobicContact CB-CB 4.36Å; N530-K533 WeakPolarHBondContact O-CB 3.29Å; N530-K533 PolarHBondContact O-N 2.68Å; N530-K533 VanDerWaalsContact O-N 3.13Å; G531-K533 PolarHBondContact O-N 2.88Å; K533-V535 PolarHBondContact O-N 3.26Å
534A77.6Confident77.5Confident10 Ų1074.7 Ų74.78%0.08338%0.38CS..SBendtrans-64.8129.9176.100000111N526 Y527 N530 G531 L536N526-A534 VanDerWaalsContact C-CB 3.47Å; N526-A534 HydrophobicContact CB-CB 4.17Å; N526-A534 WeakPolarHBondContact O-CB 3.22Å; Y527-A534 VanDerWaalsContact CA-CB 3.47Å; N530-A534 HydrophobicContact CB-CB 4.19Å; G531-A534 VanDerWaalsContact O-CB 3.22Å; G531-A534 WeakPolarHBondContact O-CB 3.47Å; G531-A534 PolarHBondContact O-N 3.38Å; A534-L536 PolarHBondContact O-N 3.3Å
535V82.3Confident77.9Confident107 Ų10778 Ų7865%0.64840%0.396SS*.PPolyproline II helixtrans-70.1116.5171.9-177.50000107.8F523 K533F523-V535 WeakPolarHBondContact CD1-O 3.46Å; K533-V535 PolarHBondContact O-N 3.26Å
536L85.6Confident78.8Confident30 Ų3074.5 Ų74.516%0.15738%0.377CS..PPolyproline II helixtrans-84.8156.2175-62.3-178.4000110A534 N538 L543 L546 L558 L562 L565A534-L536 PolarHBondContact O-N 3.3Å; L536-N538 PolarHBondContact O-OD1 3.06Å; L536-L543 HydrophobicContact CB-CD2 4.26Å; L536-L546 HydrophobicContact CD2-CD2 3.94Å; L536-L558 HydrophobicContact CD1-CD1 4.12Å; L536-L558 HydrophobicContact CD2-CD1 3.66Å; L536-L562 HydrophobicContact CD1-CD2 4.14Å; L536-L565 HydrophobicContact CD1-CD1 3.6Å
537P84.9Confident79.5Confident10 Ų1073.6 Ų73.67%0.06537%0.373CS..PPolyproline II helixtrans-65141.3175.822.7-25.1000110.2F523 N539 L542 L543 L546F523-P537 HydrophobicContact CD1-CB 4.45Å; F523-P537 VanDerWaalsContact CD1-CD 3.47Å; F523-P537 HydrophobicContact CD1-CG 4.19Å; F523-P537 HydrophobicContact CD2-CB 4.41Å; F523-P537 HydrophobicContact CD2-CG 3.98Å; F523-P537 HydrophobicContact CE1-CB 3.86Å; F523-P537 HydrophobicContact CE1-CG 4.1Å; F523-P537 HydrophobicContact CE2-CB 3.84Å; F523-P537 HydrophobicContact CE2-CG 3.91Å; F523-P537 HydrophobicContact CG-CG 4.13Å; F523-P537 HydrophobicContact CZ-CB 3.54Å; F523-P537 HydrophobicContact CZ-CG 3.98Å; P537-N539 VanDerWaalsContact C-N 3.27Å; P537-L542 HydrophobicContact CB-CB 3.66Å; P537-L542 HydrophobicContact CB-CD1 4.2Å; P537-L542 HydrophobicContact CG-CB 3.81Å; P537-L543 HydrophobicContact CG-CD2 4.02Å; P537-L543 HydrophobicContact CG-CG 4.19Å; P537-L543 WeakPolarHBondContact O-CD1 3.48Å; P537-L543 WeakPolarHBondContact O-CD2 3.4Å; P537-L543 VanDerWaalsContact O-CG 3.23Å; P537-L543 WeakPolarHBondContact O-CG 3.37Å; P537-L546 HydrophobicContact CG-CD2 4.07Å
538N82.8Confident79.6Confident157 Ų15778.2 Ų78.284%0.8439%0.39SS*.SBendtrans-83.7-11.4177.6-49.8-3.2000111.5L536L536-N538 PolarHBondContact O-OD1 3.06Å
539N81.8Confident80.3Confident84 Ų8473.7 Ų73.745%0.44937%0.366SS..SBendtrans-84.6123.2-178.9177.4-29.6000109.8P537 T541 L542 L543P537-N539 VanDerWaalsContact C-N 3.27Å; N539-T541 VanDerWaalsContact C-N 3.29Å; N539-T541 PolarHBondContact O-N 3.22Å; N539-T541 WeakPolarHBondContact OD1-CB 3.48Å; N539-T541 PolarHBondContact OD1-N 3.03Å; N539-L542 HydrophobicContact CB-CB 4.15Å; N539-L542 HydrophobicContact CB-CD1 3.98Å; N539-L542 HydrophobicContact CB-CG 4.45Å; N539-L542 WeakPolarHBondContact O-CB 3.3Å; N539-L542 PolarHBondContact O-N 3.02Å; N539-L542 VanDerWaalsContact O-N 3.12Å; N539-L542 PolarHBondContact OD1-N 3.05Å; N539-L543 PolarHBondContact O-N 3.26Å
540R83Confident81.4Confident139 Ų13965 Ų6553%0.52533%0.334SS..Hα-helixtrans-58.7-36.4-177.6-165.5174.7-179171.70.8113.6L543 C544 C569R540-L543 PolarHBondContact O-N 3.4Å; R540-C544 PolarHBondContact O-N 3.35Å; R540-C544 PolarHBondContact O-SG 2.94Å; R540-C569 PolarHBondContact NH2-SG 3.48Å; R540-C569 VanDerWaalsContact NH2-SG 3.42Å
541T80.2Confident81.8Confident89 Ų8966.4 Ų66.455%0.54634%0.338SS..Hα-helixtrans-65.1-46176.3-53.40000110.7N539 L543 C544 Q545N539-T541 VanDerWaalsContact C-N 3.29Å; N539-T541 PolarHBondContact O-N 3.22Å; N539-T541 WeakPolarHBondContact OD1-CB 3.48Å; N539-T541 PolarHBondContact OD1-N 3.03Å; T541-L543 VanDerWaalsContact C-N 3.33Å; T541-L543 PolarHBondContact O-N 3.39Å; T541-C544 PolarHBondContact O-N 3.13Å; T541-Q545 WeakPolarHBondContact O-CG 3.47Å; T541-Q545 PolarHBondContact O-N 2.95Å
542L83.8Confident81.4Confident36 Ų3667.6 Ų67.619%0.18834%0.335CS..Hα-helixtrans-64.4-36.7175.9-85.2163.4000111.9T519 V520 F523 P537 N539 Q545 L546T519-L542 HydrophobicContact CG2-CD2 3.85Å; V520-L542 HydrophobicContact CG2-CD2 4.25Å; F523-L542 HydrophobicContact CE2-CD2 4.36Å; P537-L542 HydrophobicContact CB-CB 3.66Å; P537-L542 HydrophobicContact CB-CD1 4.2Å; P537-L542 HydrophobicContact CG-CB 3.81Å; N539-L542 HydrophobicContact CB-CB 4.15Å; N539-L542 HydrophobicContact CB-CD1 3.98Å; N539-L542 HydrophobicContact CB-CG 4.45Å; N539-L542 WeakPolarHBondContact O-CB 3.3Å; N539-L542 PolarHBondContact O-N 3.02Å; N539-L542 VanDerWaalsContact O-N 3.12Å; N539-L542 PolarHBondContact OD1-N 3.05Å; L542-Q545 PolarHBondContact O-N 2.83Å; L542-L546 WeakPolarHBondContact O-CB 3.27Å; L542-L546 PolarHBondContact O-N 3.19Å
543L88.1Confident80.9Confident14 Ų1463.8 Ų63.87%0.07331%0.312CS..Hα-helixtrans-63.5-41.3173.7-75.3167.9000112.2L536 P537 N539 R540 T541 L546 A547 L562 L565L536-L543 HydrophobicContact CB-CD2 4.26Å; P537-L543 HydrophobicContact CG-CD2 4.02Å; P537-L543 HydrophobicContact CG-CG 4.19Å; P537-L543 WeakPolarHBondContact O-CD1 3.48Å; P537-L543 WeakPolarHBondContact O-CD2 3.4Å; P537-L543 VanDerWaalsContact O-CG 3.23Å; P537-L543 WeakPolarHBondContact O-CG 3.37Å; N539-L543 PolarHBondContact O-N 3.26Å; R540-L543 PolarHBondContact O-N 3.4Å; T541-L543 VanDerWaalsContact C-N 3.33Å; T541-L543 PolarHBondContact O-N 3.39Å; L543-L546 CarbonylContact O-C 3.6Å; L543-L546 PolarHBondContact O-N 3.03Å; L543-A547 WeakPolarHBondContact O-CB 3.32Å; L543-A547 PolarHBondContact O-N 2.9Å; L543-L562 HydrophobicContact CD2-CD2 3.67Å; L543-L565 HydrophobicContact CD1-CB 4.18Å; L543-L565 HydrophobicContact CD2-CB 4.49Å; L543-L565 HydrophobicContact CD2-CD1 4.18Å
544C84.5Confident80.8Confident41 Ų4159.9 Ų59.928%0.27730%0.296SS..Hα-helixtrans-67.5-40.3176.6-65.30000111.8R540 T541 A547 R548R540-C544 PolarHBondContact O-N 3.35Å; R540-C544 PolarHBondContact O-SG 2.94Å; T541-C544 PolarHBondContact O-N 3.13Å; C544-A547 WeakPolarHBondContact O-CB 3.44Å; C544-A547 PolarHBondContact O-N 3.25Å; C544-R548 PolarHBondContact O-N 3.31Å
545Q83.3Confident80.7Confident73 Ų7360.3 Ų60.334%0.34130%0.297SS..Hα-helixtrans-65.1-41.8173.6-66.4171-30.300111.1V520 T541 L542 A547 R548 E549V520-Q545 HydrophobicContact CG2-CB 3.68Å; T541-Q545 WeakPolarHBondContact O-CG 3.47Å; T541-Q545 PolarHBondContact O-N 2.95Å; L542-Q545 PolarHBondContact O-N 2.83Å; Q545-A547 VanDerWaalsContact C-N 3.29Å; Q545-A547 PolarHBondContact O-N 3Å; Q545-R548 WeakPolarHBondContact O-CB 3.09Å; Q545-R548 PolarHBondContact O-N 3.07Å; Q545-E549 PolarHBondContact O-N 3.48Å
546L86.7Confident80.6Confident0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-62.8-33.8173.5-173.556.8000112.4V520 F523 V524 L536 P537 L542 L543 E549 A550 L558 L562V520-L546 HydrophobicContact CG1-CB 3.67Å; V520-L546 HydrophobicContact CG1-CD1 3.44Å; V520-L546 VanDerWaalsContact CG1-CD1 3.44Å; V520-L546 HydrophobicContact CG1-CG 4.13Å; F523-L546 HydrophobicContact CB-CD1 3.77Å; F523-L546 HydrophobicContact CB-CD2 3.57Å; F523-L546 HydrophobicContact CB-CG 4.31Å; F523-L546 HydrophobicContact CG-CD2 4.2Å; V524-L546 HydrophobicContact CG2-CD1 3.62Å; L536-L546 HydrophobicContact CD2-CD2 3.94Å; P537-L546 HydrophobicContact CG-CD2 4.07Å; L542-L546 WeakPolarHBondContact O-CB 3.27Å; L542-L546 PolarHBondContact O-N 3.19Å; L543-L546 CarbonylContact O-C 3.6Å; L543-L546 PolarHBondContact O-N 3.03Å; L546-E549 PolarHBondContact O-N 3.27Å; L546-A550 WeakPolarHBondContact O-CB 3.45Å; L546-A550 PolarHBondContact O-N 3.35Å; L546-L558 HydrophobicContact CD1-CD2 4.31Å; L546-L558 HydrophobicContact CG-CD2 4.4Å; L546-L562 HydrophobicContact CB-CD1 4.25Å; L546-L562 HydrophobicContact CB-CD2 4.39Å; L546-L562 HydrophobicContact CD2-CD1 4.31Å; L546-L562 HydrophobicContact CD2-CD2 3.77Å; L546-L562 HydrophobicContact CG-CD1 3.72Å; L546-L562 HydrophobicContact CG-CD2 4.02Å; L546-L562 WeakPolarHBondContact O-CD1 3.33Å
547A86.3Confident80.3Confident6 Ų662.2 Ų62.25%0.0531%0.308CS..Hα-helixtrans-64.8-41.8174.600000111.1L543 C544 Q545 A550 E551 L562L543-A547 WeakPolarHBondContact O-CB 3.32Å; L543-A547 PolarHBondContact O-N 2.9Å; C544-A547 WeakPolarHBondContact O-CB 3.44Å; C544-A547 PolarHBondContact O-N 3.25Å; Q545-A547 VanDerWaalsContact C-N 3.29Å; Q545-A547 PolarHBondContact O-N 3Å; A547-A550 PolarHBondContact O-N 3.19Å; A547-E551 WeakPolarHBondContact O-CB 3.15Å; A547-E551 PolarHBondContact O-N 3.3Å; A547-L562 HydrophobicContact CB-CB 4.05Å; A547-L562 HydrophobicContact CB-CD1 4.27Å
548R80.2Confident80.2Confident130 Ų13061.7 Ų61.749%0.49131%0.305SS..Hα-helixtrans-65.8-39.5175.3-66.3178.467.4142.33.6112.4C544 Q545 F552C544-R548 PolarHBondContact O-N 3.31Å; Q545-R548 WeakPolarHBondContact O-CB 3.09Å; Q545-R548 PolarHBondContact O-N 3.07Å; R548-F552 VanDerWaalsContact O-CB 3.3Å; R548-F552 WeakPolarHBondContact O-CB 3.42Å; R548-F552 PolarHBondContact O-N 2.82Å
549E79.9Confident80.3Confident17 Ų1755.6 Ų55.68%0.07927%0.272CS..Hα-helixtrans-67.3-42.6172.8-67.4-56.9150.700111.3R516 V520 V524 Q545 L546 E551 F552 Y553R516-E549 IonicContact CZ-OE1 2.79Å; R516-E549 IonicContact CZ-OE2 2.76Å; R516-E549 IonicContact NE-OE1 3.41Å; R516-E549 PolarHBondContact NE-OE1 3.03Å; R516-E549 IonicContact NE-OE2 3.12Å; R516-E549 PolarHBondContact NE-OE2 3.16Å; R516-E549 VanDerWaalsContact NE-OE2 3.14Å; R516-E549 IonicContact NH2-OE1 2.71Å; R516-E549 PolarHBondContact NH2-OE1 3.5Å; R516-E549 VanDerWaalsContact NH2-OE1 3.12Å; R516-E549 IonicContact NH2-OE2 3.69Å; R516-E549 PolarHBondContact NH2-OE2 3.23Å; V520-E549 HydrophobicContact CB-CG 4.03Å; V520-E549 HydrophobicContact CG1-CB 3.95Å; V520-E549 HydrophobicContact CG1-CG 3.58Å; V524-E549 HydrophobicContact CG2-CB 4.12Å; Q545-E549 PolarHBondContact O-N 3.48Å; L546-E549 PolarHBondContact O-N 3.27Å; E549-E551 VanDerWaalsContact C-N 3.34Å; E549-E551 PolarHBondContact O-N 3.3Å; E549-F552 WeakPolarHBondContact O-CB 3.45Å; E549-F552 PolarHBondContact O-N 2.85Å; E549-Y553 HydrophobicContact CB-CD2 4.21Å; E549-Y553 HydrophobicContact CB-CE2 4.26Å; E549-Y553 WeakPolarHBondContact O-CB 3.48Å; E549-Y553 WeakPolarHBondContact O-CD2 3.16Å; E549-Y553 PolarHBondContact O-N 3.42Å; E549-Y553 VanDerWaalsContact OE2-CE2 3.3Å; E549-Y553 WeakPolarHBondContact OE2-CE2 3.23Å
550A82.7Confident80.3Confident0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-64.8-36.7177.800000112.5L546 A547 Q554 L555 L558 L559 L562L546-A550 WeakPolarHBondContact O-CB 3.45Å; L546-A550 PolarHBondContact O-N 3.35Å; A547-A550 PolarHBondContact O-N 3.19Å; A550-Q554 CarbonylContact O-C 3.57Å; A550-Q554 WeakPolarHBondContact O-CA 3.27Å; A550-Q554 PolarHBondContact O-N 2.85Å; A550-L555 HydrophobicContact CB-CB 4.15Å; A550-L555 HydrophobicContact CB-CD1 4.19Å; A550-L555 PolarHBondContact O-N 3.21Å; A550-L558 HydrophobicContact CB-CD2 4.02Å; A550-L558 HydrophobicContact CB-CG 4.24Å; A550-L559 HydrophobicContact CB-CG 4.07Å; A550-L559 WeakPolarHBondContact O-CD1 3.47Å; A550-L562 HydrophobicContact CB-CD1 3.56Å
551E78.3Confident80.3Confident98 Ų9850.6 Ų50.646%0.45826%0.258SS..Hα-helixtrans-61.2-50.1170.6-168.3167.1-145.800111A547 E549 Q554 L559A547-E551 WeakPolarHBondContact O-CB 3.15Å; A547-E551 PolarHBondContact O-N 3.3Å; E549-E551 VanDerWaalsContact C-N 3.34Å; E549-E551 PolarHBondContact O-N 3.3Å; E551-Q554 PolarHBondContact O-N 3.16Å; E551-Q554 VanDerWaalsContact O-N 3.08Å; E551-L559 HydrophobicContact CB-CD2 3.93Å; E551-L559 HydrophobicContact CG-CD2 4.46Å
552F67.1Low80.6Confident53 Ų5346.3 Ų46.323%0.23223%0.232CC..Hα-helixtrans-61.9-45.6179.3177.7-98.6000113.4L498 R548 E549 Q554L498-F552 HydrophobicContact CD1-CE1 4.23Å; L498-F552 HydrophobicContact CD1-CE2 3.6Å; L498-F552 HydrophobicContact CD1-CZ 3.34Å; L498-F552 HydrophobicContact CD2-CE2 4.19Å; L498-F552 HydrophobicContact CD2-CZ 4.07Å; L498-F552 HydrophobicContact CG-CE2 4.47Å; L498-F552 HydrophobicContact CG-CZ 4.35Å; R548-F552 VanDerWaalsContact O-CB 3.3Å; R548-F552 WeakPolarHBondContact O-CB 3.42Å; R548-F552 PolarHBondContact O-N 2.82Å; E549-F552 WeakPolarHBondContact O-CB 3.45Å; E549-F552 PolarHBondContact O-N 2.85Å; F552-Q554 PolarHBondContact O-N 3.35Å
553Y64Low80.6Confident64 Ų6452.1 Ų52.125%0.25125%0.252SS..THydrogen-bonded Turntrans-805.1176-69.3-64.2000113.1I494 V524 E549 L555I494-Y553 VanDerWaalsContact CD1-O 3.25Å; I494-Y553 WeakPolarHBondContact CD1-O 3.41Å; V524-Y553 HydrophobicContact CG1-CD2 4.08Å; V524-Y553 HydrophobicContact CG1-CE2 4.38Å; V524-Y553 HydrophobicContact CG2-CD2 4.18Å; V524-Y553 HydrophobicContact CG2-CE2 4.39Å; E549-Y553 HydrophobicContact CB-CD2 4.21Å; E549-Y553 HydrophobicContact CB-CE2 4.26Å; E549-Y553 WeakPolarHBondContact O-CB 3.48Å; E549-Y553 WeakPolarHBondContact O-CD2 3.16Å; E549-Y553 PolarHBondContact O-N 3.42Å; E549-Y553 VanDerWaalsContact OE2-CE2 3.3Å; E549-Y553 WeakPolarHBondContact OE2-CE2 3.23Å; Y553-L555 PolarHBondContact O-N 2.87Å; Y553-L555 VanDerWaalsContact O-N 3.17Å
554Q73.4Confident80.3Confident100 Ų10060.1 Ų60.147%0.46728%0.281SS..THydrogen-bonded Turntrans49.541.9-178.7-59.9-177.619.400112.7I494 A550 E551 F552 H556I494-Q554 HydrophobicContact CD1-CB 3.79Å; I494-Q554 HydrophobicContact CD1-CG 3.93Å; A550-Q554 CarbonylContact O-C 3.57Å; A550-Q554 WeakPolarHBondContact O-CA 3.27Å; A550-Q554 PolarHBondContact O-N 2.85Å; E551-Q554 PolarHBondContact O-N 3.16Å; E551-Q554 VanDerWaalsContact O-N 3.08Å; F552-Q554 PolarHBondContact O-N 3.35Å; Q554-H556 PolarHBondContact O-N 3.12Å; Q554-H556 PolarHBondContact O-ND1 3.49Å
555L76.8Confident80.2Confident19 Ų1962.5 Ų62.510%0.09929%0.29CS..  trans-76.874.1179.8-56.9176.4000109.9V524 Y527 L528 A550 Y553 G557 L558 L559V524-L555 HydrophobicContact CB-CD1 4.46Å; V524-L555 HydrophobicContact CG1-CD1 3.85Å; V524-L555 HydrophobicContact CG2-CD1 4.21Å; Y527-L555 HydrophobicContact CD1-CD1 4.25Å; Y527-L555 HydrophobicContact CE1-CB 4.29Å; L528-L555 HydrophobicContact CD2-CD2 3.88Å; A550-L555 HydrophobicContact CB-CB 4.15Å; A550-L555 HydrophobicContact CB-CD1 4.19Å; A550-L555 PolarHBondContact O-N 3.21Å; Y553-L555 PolarHBondContact O-N 2.87Å; Y553-L555 VanDerWaalsContact O-N 3.17Å; L555-G557 PolarHBondContact O-N 2.76Å; L555-L558 HydrophobicContact CB-CB 3.87Å; L555-L558 HydrophobicContact CD1-CD2 3.87Å; L555-L558 PolarHBondContact O-N 3.39Å; L555-L559 PolarHBondContact O-N 2.99Å
556H78.6Confident79.9Confident138 Ų13859.3 Ų59.364%0.63928%0.276SS*.THydrogen-bonded Turntrans-58.3-24.3-170.1-72.931.7000113.9Q554 P560Q554-H556 PolarHBondContact O-N 3.12Å; Q554-H556 PolarHBondContact O-ND1 3.49Å; H556-P560 WeakPolarHBondContact O-CD 3.49Å; H556-P560 VanDerWaalsContact O-CG 3.29Å; H556-P560 WeakPolarHBondContact O-CG 3.46Å
557G79.6Confident78.8Confident38 Ų3865.7 Ų65.739%0.39231%0.31SS..THydrogen-bonded Turntrans-87.1-19.7173.900000114.6Y527 L555Y527-G557 WeakPolarHBondContact OH-CA 3.09Å; L555-G557 PolarHBondContact O-N 2.76Å
558L84Confident77.3Confident0 Ų068.5 Ų68.50%034%0.34CS..THydrogen-bonded Turntrans-92.6-39.9178.5-17858.7000111.3Y527 L536 L546 A550 L555 L561 L562Y527-L558 HydrophobicContact CD1-CB 3.87Å; Y527-L558 HydrophobicContact CD1-CD2 4.05Å; Y527-L558 HydrophobicContact CD1-CG 4.44Å; Y527-L558 HydrophobicContact CD2-CB 3.93Å; Y527-L558 HydrophobicContact CD2-CD1 3.73Å; Y527-L558 HydrophobicContact CD2-CD2 4.24Å; Y527-L558 HydrophobicContact CD2-CG 4.14Å; Y527-L558 HydrophobicContact CE1-CB 3.67Å; Y527-L558 HydrophobicContact CE2-CB 3.72Å; Y527-L558 HydrophobicContact CE2-CD1 4.07Å; Y527-L558 HydrophobicContact CE2-CG 4.37Å; Y527-L558 HydrophobicContact CG-CB 3.99Å; Y527-L558 HydrophobicContact CG-CD1 4.16Å; Y527-L558 HydrophobicContact CG-CD2 3.8Å; Y527-L558 HydrophobicContact CG-CG 4.17Å; Y527-L558 PolarHBondContact OH-N 3.3Å; L536-L558 HydrophobicContact CD1-CD1 4.12Å; L536-L558 HydrophobicContact CD2-CD1 3.66Å; L546-L558 HydrophobicContact CD1-CD2 4.31Å; L546-L558 HydrophobicContact CG-CD2 4.4Å; A550-L558 HydrophobicContact CB-CD2 4.02Å; A550-L558 HydrophobicContact CB-CG 4.24Å; L555-L558 HydrophobicContact CB-CB 3.87Å; L555-L558 HydrophobicContact CD1-CD2 3.87Å; L555-L558 PolarHBondContact O-N 3.39Å; L558-L561 WeakPolarHBondContact O-CA 3.27Å; L558-L561 WeakPolarHBondContact O-CB 3.45Å; L558-L561 PolarHBondContact O-N 3.31Å; L558-L562 HydrophobicContact CD1-CD1 4.09Å; L558-L562 HydrophobicContact CD1-CD2 4.19Å; L558-L562 HydrophobicContact CD1-CG 3.86Å; L558-L562 HydrophobicContact CD2-CD1 3.88Å; L558-L562 HydrophobicContact CG-CD1 3.54Å; L558-L562 HydrophobicContact CG-CG 3.82Å; L558-L562 WeakPolarHBondContact O-CG 3.27Å; L558-L562 PolarHBondContact O-N 2.8Å
559L84.1Confident76Confident29 Ų2964.7 Ų64.715%0.15233%0.332CS..Hα-helixtrans-47.7-52.9178.3-95154.4000113.1A550 E551 L555 L561 L562 W563A550-L559 HydrophobicContact CB-CG 4.07Å; A550-L559 WeakPolarHBondContact O-CD1 3.47Å; E551-L559 HydrophobicContact CB-CD2 3.93Å; E551-L559 HydrophobicContact CG-CD2 4.46Å; L555-L559 PolarHBondContact O-N 2.99Å; L559-L561 VanDerWaalsContact C-N 3.28Å; L559-L561 PolarHBondContact O-N 3.26Å; L559-L562 PolarHBondContact O-N 3.01Å; L559-W563 WeakPolarHBondContact O-CB 3.39Å; L559-W563 PolarHBondContact O-N 3.2Å
560P82.3Confident74.2Confident61 Ų6169.7 Ų69.740%0.39636%0.364SS..Hα-helixtrans-63.4-32178.8-22.933.8000113.5H556 R564H556-P560 WeakPolarHBondContact O-CD 3.49Å; H556-P560 VanDerWaalsContact O-CG 3.29Å; H556-P560 WeakPolarHBondContact O-CG 3.46Å; P560-R564 WeakPolarHBondContact O-CG 3.37Å; P560-R564 PolarHBondContact O-N 3.27Å; P560-R564 VanDerWaalsContact O-N 3.12Å
561L83.3Confident72.1Confident56 Ų5673.3 Ų73.329%0.29338%0.383SS..Hα-helixtrans-70.8-44.6176.4-65.8172.9000110.5I532 L558 L559 R564 L565I532-L561 HydrophobicContact CG2-CD1 4.32Å; L558-L561 WeakPolarHBondContact O-CA 3.27Å; L558-L561 WeakPolarHBondContact O-CB 3.45Å; L558-L561 PolarHBondContact O-N 3.31Å; L559-L561 VanDerWaalsContact C-N 3.28Å; L559-L561 PolarHBondContact O-N 3.26Å; L561-R564 PolarHBondContact O-N 2.66Å; L561-L565 WeakPolarHBondContact O-CB 3.42Å; L561-L565 VanDerWaalsContact O-CG 3.28Å; L561-L565 WeakPolarHBondContact O-CG 3.28Å; L561-L565 PolarHBondContact O-N 3.06Å
562L86.7Confident69.9Low0 Ų073.8 Ų73.80%039%0.387CS..Hα-helixtrans-67.1-39.5177.7-65.2174.1000111.9L536 L543 L546 A547 A550 L558 L559 R564 L565 C566L536-L562 HydrophobicContact CD1-CD2 4.14Å; L543-L562 HydrophobicContact CD2-CD2 3.67Å; L546-L562 HydrophobicContact CB-CD1 4.25Å; L546-L562 HydrophobicContact CB-CD2 4.39Å; L546-L562 HydrophobicContact CD2-CD1 4.31Å; L546-L562 HydrophobicContact CD2-CD2 3.77Å; L546-L562 HydrophobicContact CG-CD1 3.72Å; L546-L562 HydrophobicContact CG-CD2 4.02Å; L546-L562 WeakPolarHBondContact O-CD1 3.33Å; A547-L562 HydrophobicContact CB-CB 4.05Å; A547-L562 HydrophobicContact CB-CD1 4.27Å; A550-L562 HydrophobicContact CB-CD1 3.56Å; L558-L562 HydrophobicContact CD1-CD1 4.09Å; L558-L562 HydrophobicContact CD1-CD2 4.19Å; L558-L562 HydrophobicContact CD1-CG 3.86Å; L558-L562 HydrophobicContact CD2-CD1 3.88Å; L558-L562 HydrophobicContact CG-CD1 3.54Å; L558-L562 HydrophobicContact CG-CG 3.82Å; L558-L562 WeakPolarHBondContact O-CG 3.27Å; L558-L562 PolarHBondContact O-N 2.8Å; L559-L562 PolarHBondContact O-N 3.01Å; L562-R564 VanDerWaalsContact C-N 3.34Å; L562-R564 PolarHBondContact O-N 3.26Å; L562-L565 PolarHBondContact O-N 3.31Å; L562-C566 VanDerWaalsContact O-CB 3.24Å; L562-C566 WeakPolarHBondContact O-CB 3.23Å; L562-C566 PolarHBondContact O-N 3.35Å; L562-C566 PolarHBondContact O-SG 3Å
563W82.3Confident68.2Low157 Ų15780.6 Ų80.660%0.59542%0.42SS*.Hα-helixtrans-60.7-42.6173.3-89.725000112.1L559 C566 N567L559-W563 WeakPolarHBondContact O-CB 3.39Å; L559-W563 PolarHBondContact O-N 3.2Å; W563-C566 PolarHBondContact O-N 3.37Å; W563-N567 PolarHBondContact O-N 2.81Å
564R82.5Confident66.4Low183 Ų18385.1 Ų85.169%0.69144%0.441SS*.Hα-helixtrans-61.1-45.5172.5-78.5-175.5-130.8177.60.6111.8P560 L561 L562 C566 N567P560-R564 WeakPolarHBondContact O-CG 3.37Å; P560-R564 PolarHBondContact O-N 3.27Å; P560-R564 VanDerWaalsContact O-N 3.12Å; L561-R564 PolarHBondContact O-N 2.66Å; L562-R564 VanDerWaalsContact C-N 3.34Å; L562-R564 PolarHBondContact O-N 3.26Å; R564-C566 VanDerWaalsContact C-N 3.35Å; R564-N567 PolarHBondContact O-N 3.33Å; R564-N567 PolarHBondContact O-OD1 3.3Å
565L82.2Confident64Low90 Ų9086.3 Ų86.347%0.47146%0.457SS..Hα-helixtrans-72.4-27.3-178.5-68.5170.6000113.2L536 L543 L561 L562 N567L536-L565 HydrophobicContact CD1-CD1 3.6Å; L543-L565 HydrophobicContact CD1-CB 4.18Å; L543-L565 HydrophobicContact CD2-CB 4.49Å; L543-L565 HydrophobicContact CD2-CD1 4.18Å; L561-L565 WeakPolarHBondContact O-CB 3.42Å; L561-L565 VanDerWaalsContact O-CG 3.28Å; L561-L565 WeakPolarHBondContact O-CG 3.28Å; L561-L565 PolarHBondContact O-N 3.06Å; L562-L565 PolarHBondContact O-N 3.31Å; L565-N567 VanDerWaalsContact C-N 3.26Å; L565-N567 PolarHBondContact O-N 3.23Å
566C76.3Confident61.6Low7 Ų790 Ų905%0.04748%0.477CS..THydrogen-bonded Turntrans-80-4.6177.1-67.10000113.1L562 W563 R564 G568 C569L562-C566 VanDerWaalsContact O-CB 3.24Å; L562-C566 WeakPolarHBondContact O-CB 3.23Å; L562-C566 PolarHBondContact O-N 3.35Å; L562-C566 PolarHBondContact O-SG 3Å; W563-C566 PolarHBondContact O-N 3.37Å; R564-C566 VanDerWaalsContact C-N 3.35Å; C566-G568 VanDerWaalsContact C-N 3.31Å; C566-G568 PolarHBondContact O-N 3.32Å; C566-C569 HydrophobicContact CB-CB 4.37Å; C566-C569 PolarHBondContact O-N 2.9Å; C566-C569 VanDerWaalsContact O-N 3.13Å; C566-C569 PolarHBondContact O-SG 3.21Å
567N65.2Low58.9Low133 Ų13392.2 Ų92.271%0.71149%0.487SS*.THydrogen-bonded Turntrans4848.5177.9-82.9-19.1000113.3W563 R564 L565 C569W563-N567 PolarHBondContact O-N 2.81Å; R564-N567 PolarHBondContact O-N 3.33Å; R564-N567 PolarHBondContact O-OD1 3.3Å; L565-N567 VanDerWaalsContact C-N 3.26Å; L565-N567 PolarHBondContact O-N 3.23Å; N567-C569 VanDerWaalsContact C-N 3.25Å; N567-C569 PolarHBondContact O-N 2.82Å
568G55.1Low56.2Low65 Ų6595.6 Ų95.667%0.6750%0.5SS*.THydrogen-bonded Turntrans63.728.5176.400000114C566 T570C566-G568 VanDerWaalsContact C-N 3.31Å; C566-G568 PolarHBondContact O-N 3.32Å; G568-T570 PolarHBondContact O-N 3.42Å
569C50.9Low53.3Low50 Ų50102 Ų10234%0.33853%0.532SS..  trans-49.4109.3164.5-83.50000108.3R540 C566 N567 I571R540-C569 PolarHBondContact NH2-SG 3.48Å; R540-C569 VanDerWaalsContact NH2-SG 3.42Å; C566-C569 HydrophobicContact CB-CB 4.37Å; C566-C569 PolarHBondContact O-N 2.9Å; C566-C569 VanDerWaalsContact O-N 3.13Å; C566-C569 PolarHBondContact O-SG 3.21Å; N567-C569 VanDerWaalsContact C-N 3.25Å; N567-C569 PolarHBondContact O-N 2.82Å; C569-I571 PolarHBondContact O-N 2.94Å
570T42Very low50.4Low122 Ų122107.4 Ų107.475%0.74856%0.557SS**  trans-55.1109.5168.345.70000106.9G568 I572G568-T570 PolarHBondContact O-N 3.42Å; T570-I572 PolarHBondContact O-N 3.35Å
571I40.1Very low47.6Very low77 Ų77110.3 Ų110.340%0.39556%0.561SS.*  trans-60.9109.3168.1-60.2174.9000104.2C569 E573C569-I571 PolarHBondContact O-N 2.94Å; I571-E573 PolarHBondContact O-N 3.35Å
572I31.6Very low44.9Very low107 Ų107117.8 Ų117.855%0.54959%0.586SS.*  trans-61.2107.8-178.4-64.1171.8000106.5T570 K574T570-I572 PolarHBondContact O-N 3.35Å; I572-K574 HydrophobicContact CG2-CB 3.72Å; I572-K574 HydrophobicContact CG2-CD 4.22Å; I572-K574 HydrophobicContact CG2-CG 3.81Å; I572-K574 PolarHBondContact O-N 3.24Å
573E31.1Very low42Very low197 Ų197120.7 Ų120.792%0.92160%0.599SS**  trans-66.110.7174.7-72-175156.400113.5I571I571-E573 PolarHBondContact O-N 3.35Å
574K25.5Very low39.2Very low158 Ų158118.5 Ų118.569%0.68760%0.603SS**SBendtrans-74.8133.6171.7-67.2-174.2173.6-179.40108.6I572 I576I572-K574 HydrophobicContact CG2-CB 3.72Å; I572-K574 HydrophobicContact CG2-CD 4.22Å; I572-K574 HydrophobicContact CG2-CG 3.81Å; I572-K574 PolarHBondContact O-N 3.24Å; K574-I576 VanDerWaalsContact C-N 3.3Å; K574-I576 WeakPolarHBondContact O-CG1 3.35Å; K574-I576 PolarHBondContact O-N 3.04Å
575P24Very low36.4Very low125 Ų125118.8 Ų118.881%0.81261%0.609SS**  trans-61.198.9168.826-30.8000107.1Q577P575-Q577 PolarHBondContact O-N 2.73Å; P575-Q577 VanDerWaalsContact O-N 3.09Å
576I26.1Very low33.8Very low98 Ų98118.1 Ų118.150%0.50360%0.603SS.*  trans-74.8106.1177.8-50.6-175.1000106.4K574 V578K574-I576 VanDerWaalsContact C-N 3.3Å; K574-I576 WeakPolarHBondContact O-CG1 3.35Å; K574-I576 PolarHBondContact O-N 3.04Å; I576-V578 HydrophobicContact CB-CG2 4.21Å; I576-V578 HydrophobicContact CG2-CG2 3.32Å; I576-V578 PolarHBondContact O-N 2.89Å
577Q21.4Very low31.4Very low183 Ų183123.8 Ų123.886%0.85564%0.637SS**  trans-59.4114.7158.4-69.9177.7-21.100109P575P575-Q577 PolarHBondContact O-N 2.73Å; P575-Q577 VanDerWaalsContact O-N 3.09Å
578V24.6Very low29.9Very low109 Ų109118.7 Ų118.766%0.66161%0.611SS**  trans-145.7114170.1-1690000104.5I576I576-V578 HydrophobicContact CB-CG2 4.21Å; I576-V578 HydrophobicContact CG2-CG2 3.32Å; I576-V578 PolarHBondContact O-N 2.89Å
579I21.4Very low28.5Very low134 Ų134121.2 Ų121.269%0.68761%0.609SS**  cis48.369.231.5-44.4-176000113.7
580H24.1Very low27.6Very low143 Ų143119.7 Ų119.766%0.66260%0.598SS**  162.5118.5114.4-92.6121.1000112.3
581Y23.3Very low27Very low122 Ų122118.9 Ų118.948%0.47858%0.584SS.*  trans30.7111130.6-67.6-109000118.7L191 F583L191-Y581 VanDerWaalsContact C-OH 3.29Å; L191-Y581 WeakPolarHBondContact O-CE1 2.93Å; L191-Y581 PolarHBondContact O-OH 3.46Å; Y581-F583 AromaticContact CD1-CD2 3.13Å; Y581-F583 HydrophobicContact CD1-CD2 3.13Å; Y581-F583 AromaticContact CD1-CE2 2.9Å; Y581-F583 HydrophobicContact CD1-CE2 2.9Å; Y581-F583 HydrophobicContact CD1-CG 4.24Å; Y581-F583 AromaticContact CD1-CZ 3.89Å; Y581-F583 HydrophobicContact CD1-CZ 3.89Å; Y581-F583 HydrophobicContact CD2-CE2 4.43Å; Y581-F583 AromaticContact CE1-CD2 3.91Å; Y581-F583 HydrophobicContact CE1-CD2 3.91Å; Y581-F583 AromaticContact CE1-CE2 3.33Å; Y581-F583 HydrophobicContact CE1-CE2 3.33Å; Y581-F583 AromaticContact CE1-CZ 3.86Å; Y581-F583 HydrophobicContact CE1-CZ 3.86Å; Y581-F583 AromaticContact CG-CD2 3.76Å; Y581-F583 HydrophobicContact CG-CD2 3.76Å; Y581-F583 AromaticContact CG-CE2 3.49Å; Y581-F583 HydrophobicContact CG-CE2 3.49Å; Y581-F583 VanDerWaalsContact CG-CE2 3.49Å
582Y25.9Very low26.5Very low213 Ų213116.2 Ų116.284%0.83557%0.57SS**  trans-127.5103.7138.6-82.4-79.9000110.7
583F26Very low26.3Very low62 Ų62116.6 Ų116.627%0.27257%0.573SS.*  trans-107.8131.8175.8-71.4-95.9000107.1L128 L191 F193 Y581 K585L128-F583 HydrophobicContact CD1-CD1 3.33Å; L128-F583 HydrophobicContact CD1-CE1 3.42Å; L128-F583 VanDerWaalsContact CD1-CE1 3.42Å; L128-F583 HydrophobicContact CD2-CD1 4.43Å; L128-F583 HydrophobicContact CD2-CE1 3.64Å; L128-F583 HydrophobicContact CG-CD1 4.46Å; L128-F583 HydrophobicContact CG-CE1 4.12Å; L191-F583 HydrophobicContact CB-CE1 4.4Å; L191-F583 HydrophobicContact CB-CZ 3.91Å; L191-F583 HydrophobicContact CD1-CE1 4.31Å; L191-F583 HydrophobicContact CD1-CZ 4.08Å; L191-F583 HydrophobicContact CG-CZ 4.45Å; F193-F583 HydrophobicContact CD2-CE1 4.11Å; F193-F583 AromaticContact CE2-CD1 3.57Å; F193-F583 HydrophobicContact CE2-CD1 3.57Å; F193-F583 AromaticContact CE2-CE1 3.2Å; F193-F583 HydrophobicContact CE2-CE1 3.2Å; F193-F583 HydrophobicContact CE2-CE2 4.46Å; F193-F583 HydrophobicContact CE2-CG 4.32Å; F193-F583 AromaticContact CE2-CZ 3.71Å; F193-F583 HydrophobicContact CE2-CZ 3.71Å; F193-F583 AromaticContact CZ-CD1 3.56Å; F193-F583 HydrophobicContact CZ-CD1 3.56Å; F193-F583 AromaticContact CZ-CE1 3.73Å; F193-F583 HydrophobicContact CZ-CE1 3.73Å; F193-F583 HydrophobicContact CZ-CG 4.17Å; F193-F583 HydrophobicContact CZ-CZ 4.47Å; Y581-F583 AromaticContact CD1-CD2 3.13Å; Y581-F583 HydrophobicContact CD1-CD2 3.13Å; Y581-F583 AromaticContact CD1-CE2 2.9Å; Y581-F583 HydrophobicContact CD1-CE2 2.9Å; Y581-F583 HydrophobicContact CD1-CG 4.24Å; Y581-F583 AromaticContact CD1-CZ 3.89Å; Y581-F583 HydrophobicContact CD1-CZ 3.89Å; Y581-F583 HydrophobicContact CD2-CE2 4.43Å; Y581-F583 AromaticContact CE1-CD2 3.91Å; Y581-F583 HydrophobicContact CE1-CD2 3.91Å; Y581-F583 AromaticContact CE1-CE2 3.33Å; Y581-F583 HydrophobicContact CE1-CE2 3.33Å; Y581-F583 AromaticContact CE1-CZ 3.86Å; Y581-F583 HydrophobicContact CE1-CZ 3.86Å; Y581-F583 AromaticContact CG-CD2 3.76Å; Y581-F583 HydrophobicContact CG-CD2 3.76Å; Y581-F583 AromaticContact CG-CE2 3.49Å; Y581-F583 HydrophobicContact CG-CE2 3.49Å; Y581-F583 VanDerWaalsContact CG-CE2 3.49Å; F583-K585 PolarHBondContact O-N 3.22Å; F583-K585 VanDerWaalsContact O-N 3.14Å
584T24.5Very low26.1Very low110 Ų110112.6 Ų112.668%0.67556%0.556SS**  trans-77.8100.5157.2-41.30000106.5F586T584-F586 VanDerWaalsContact C-N 3.28Å; T584-F586 HydrophobicContact CG2-CD2 4.02Å; T584-F586 HydrophobicContact CG2-CE1 4.23Å; T584-F586 HydrophobicContact CG2-CE2 3.47Å; T584-F586 VanDerWaalsContact CG2-CE2 3.47Å; T584-F586 HydrophobicContact CG2-CZ 3.59Å; T584-F586 WeakPolarHBondContact O-CD2 3.25Å; T584-F586 PolarHBondContact O-N 2.68Å
585K23.5Very low26.1Very low189 Ų189110.2 Ų110.282%0.82255%0.549SS*.  trans-65.890.2174.4-164.9-177.5-171.9-179.80108.4F583F583-K585 PolarHBondContact O-N 3.22Å; F583-K585 VanDerWaalsContact O-N 3.14Å
586F27.4Very low26.2Very low77 Ų77109.4 Ų109.434%0.33853%0.534SS..  trans-85.3114.5162.8-67-75.1000107.7V210 R214 V216 T584 T588V210-F586 HydrophobicContact CG1-CE1 4.48Å; R214-F586 WeakPolarHBondContact O-CD1 3.07Å; V216-F586 HydrophobicContact CG2-CB 3.48Å; V216-F586 VanDerWaalsContact CG2-CB 3.48Å; V216-F586 HydrophobicContact CG2-CD1 3.43Å; V216-F586 VanDerWaalsContact CG2-CD1 3.43Å; V216-F586 HydrophobicContact CG2-CD2 4.02Å; V216-F586 HydrophobicContact CG2-CE1 4.11Å; V216-F586 HydrophobicContact CG2-CG 3.37Å; T584-F586 VanDerWaalsContact C-N 3.28Å; T584-F586 HydrophobicContact CG2-CD2 4.02Å; T584-F586 HydrophobicContact CG2-CE1 4.23Å; T584-F586 HydrophobicContact CG2-CE2 3.47Å; T584-F586 VanDerWaalsContact CG2-CE2 3.47Å; T584-F586 HydrophobicContact CG2-CZ 3.59Å; T584-F586 WeakPolarHBondContact O-CD2 3.25Å; T584-F586 PolarHBondContact O-N 2.68Å; F586-T588 HydrophobicContact CB-CG2 4.05Å; F586-T588 PolarHBondContact O-N 3.32Å
587T25.4Very low26.2Very low125 Ų125110.1 Ų110.177%0.76754%0.536SS*.  trans-68100.3163.135.20000107.7
588T32.9Very low26.5Very low27 Ų27105.5 Ų105.517%0.16652%0.516CS..  trans-99.1141.7171.776.80000108.7V129 V216 F218 F586 L590V129-T588 HydrophobicContact CG2-CG2 4.48Å; V216-T588 HydrophobicContact CB-CG2 3.8Å; V216-T588 HydrophobicContact CG1-CG2 4.05Å; V216-T588 HydrophobicContact CG2-CG2 4.18Å; F218-T588 HydrophobicContact CE2-CG2 4.37Å; F586-T588 HydrophobicContact CB-CG2 4.05Å; F586-T588 PolarHBondContact O-N 3.32Å; T588-L590 PolarHBondContact O-N 2.75Å
589N27.7Very low26.7Very low117 Ų117105.3 Ų105.363%0.62651%0.506SS*.  trans-90.857.8174.9-65.9-39.9000109.8T174T174-N589 HydrophobicContact CG2-CB 3.18Å
590L30.3Very low27.1Very low19 Ų19103.2 Ų103.210%0.09949%0.494CS..  trans-90.1122.5173.2-110.8139000109.4L171 L197 L205 F218 T588L171-L590 HydrophobicContact CB-CD2 3.91Å; L171-L590 HydrophobicContact CD1-CD2 4.5Å; L171-L590 HydrophobicContact CD2-CD2 4.25Å; L171-L590 HydrophobicContact CG-CD2 4.46Å; L197-L590 HydrophobicContact CD2-CD1 3.9Å; L205-L590 HydrophobicContact CD1-CD1 4.18Å; L205-L590 HydrophobicContact CD1-CD2 3.99Å; F218-L590 HydrophobicContact CD2-CD1 3.67Å; F218-L590 HydrophobicContact CE2-CD1 3.2Å; F218-L590 HydrophobicContact CE2-CG 4.41Å; F218-L590 HydrophobicContact CZ-CD1 3.69Å; T588-L590 PolarHBondContact O-N 2.75Å
591K31Very low27.3Very low104 Ų104100.2 Ų100.245%0.45248%0.481SS..EExtended strand (participates in β ladder)trans-90.9125.8169.2-71.9-170-174.8-1670108.7E122 E172E122-K591 WeakPolarHBondContact OE1-CE 3.42Å; E122-K591 IonicContact OE1-NZ 3.34Å; E122-K591 PolarHBondContact OE1-NZ 3.38Å; E172-K591 HydrophobicContact CB-CB 4.15Å; E172-K591 PolarHBondContact N-O 3.36Å; E172-K591 PolarHBondContact O-N 3.27Å
592L29.4Very low27.6Very low22 Ų2298.3 Ų98.312%0.11548%0.481CS..EExtended strand (participates in β ladder)trans-93112168.4-81.8153.4000107.3R125 V127 V169 L171 F195R125-L592 HydrophobicContact CB-CD1 3.91Å; V127-L592 HydrophobicContact CG2-CD1 3.61Å; V127-L592 HydrophobicContact CG2-CG 4.5Å; V169-L592 HydrophobicContact CG1-CD2 3.43Å; V169-L592 VanDerWaalsContact CG1-CD2 3.43Å; L171-L592 HydrophobicContact CD2-CD2 3.48Å; L171-L592 VanDerWaalsContact CD2-CD2 3.48Å; L171-L592 HydrophobicContact CD2-CG 4.28Å; F195-L592 HydrophobicContact CB-CD1 3.57Å; F195-L592 HydrophobicContact CB-CD2 4.29Å; F195-L592 HydrophobicContact CD1-CD2 4.24Å; F195-L592 HydrophobicContact CD2-CD1 4.28Å; F195-L592 HydrophobicContact CD2-CD2 3.46Å; F195-L592 VanDerWaalsContact CD2-CD2 3.46Å; F195-L592 HydrophobicContact CE1-CD2 4.44Å; F195-L592 HydrophobicContact CE2-CD2 3.69Å; F195-L592 HydrophobicContact CG-CD1 3.96Å; F195-L592 HydrophobicContact CG-CD2 3.76Å; F195-L592 HydrophobicContact CG-CG 4.48Å; F195-L592 HydrophobicContact CZ-CD2 4.19Å
593L27.3Very low27.8Very low115 Ų11587.9 Ų87.960%0.60245%0.448SS*.  trans-90.40178-69.5173.3000111.7C170 E172C170-L593 HydrophobicContact CB-CB 4.2Å; C170-L593 PolarHBondContact O-N 2.77Å; C170-L593 VanDerWaalsContact O-N 3.14Å; E172-L593 HydrophobicContact CB-CD1 4.08Å; E172-L593 HydrophobicContact CB-CG 4.47Å

Retrieved 593 of 593 residues in 106.1 ms (Link to these results)

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