A0A077YWE8_TRITR Loading...

Sphere organelles protein SPH-1

AlphaFold DB , UniProt , Accession A0A077YWE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 446 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
1M35.5Very low34.9Very low240 Ų240147.5 Ų147.5100%1.18266%0.659SS**  0119.70-72.8176173.100107.9R3M1-R3 PolarHBondContact O-N 2.66Å
2E30.2Very low36.5Very low193 Ų193135.4 Ų135.490%0.90261%0.605SS**  trans-71123.7165.6-67.8177.1117.100108.3R4E2-R4 PolarHBondContact O-N 2.93Å; E2-R4 VanDerWaalsContact O-N 3.14Å
3R26.2Very low38Very low240 Ų240131.8 Ų131.891%0.90658%0.584SS**  trans-66.6112.8165.4-73.1-176.5176.2-179.8-0.4106.4M1 R5M1-R3 PolarHBondContact O-N 2.66Å; R3-R5 PolarHBondContact O-N 3.39Å
4R27.3Very low39.6Very low236 Ų236122.4 Ų122.489%0.89154%0.543SS*.  trans-52.5112.8167.6-74-179175.2171.9-1.6107.2E2 V6E2-R4 PolarHBondContact O-N 2.93Å; E2-R4 VanDerWaalsContact O-N 3.14Å; R4-V6 PolarHBondContact O-N 3.28Å
5R30.4Very low41Very low243 Ų243114.3 Ų114.392%0.91751%0.507SS*.  trans-62.9104.2165.6-74.9-174.8175.5-173-2.3106.1R3 S7R3-R5 PolarHBondContact O-N 3.39Å; R5-S7 PolarHBondContact O-N 3.4Å
6V28.2Very low42.3Very low120 Ų120107.6 Ų107.673%0.72748%0.477SS*.  trans-65.4116.2161.7-177.40000104.3R4 S8R4-V6 PolarHBondContact O-N 3.28Å; V6-S8 PolarHBondContact O-N 2.58Å
7S35.4Very low43Very low59 Ų59104.2 Ų104.241%0.41346%0.461SS..  trans-62.9123.3172.228.60000108R5 F9 D38R5-S7 PolarHBondContact O-N 3.4Å; S7-F9 WeakPolarHBondContact O-CD1 3.3Å; S7-F9 PolarHBondContact O-N 3.36Å; S7-D38 VanDerWaalsContact CB-OD1 3.27Å; S7-D38 WeakPolarHBondContact CB-OD1 3.49Å
8S38.3Very low43.5Very low49 Ų4999.7 Ų99.734%0.34344%0.44SS..  trans-80.364.6-178.7-60.90000109.4V6 V10 D38 L39V6-S8 PolarHBondContact O-N 2.58Å; S8-V10 PolarHBondContact O-N 2.86Å; S8-D38 PolarHBondContact N-OD1 2.88Å; S8-L39 WeakPolarHBondContact CB-O 3.49Å; S8-L39 PolarHBondContact O-N 2.89Å; S8-L39 VanDerWaalsContact O-N 3.11Å
9F41.9Very low43.6Very low92 Ų9295.3 Ų95.340%0.40442%0.424SS..EExtended strand (participates in β ladder)trans-79.6113.2179.953.6-97.2000110.5S7 R11 V37S7-F9 WeakPolarHBondContact O-CD1 3.3Å; S7-F9 PolarHBondContact O-N 3.36Å; F9-R11 HydrophobicContact CD2-CG 3.93Å; F9-R11 HydrophobicContact CE2-CG 4.44Å; F9-R11 VanDerWaalsContact CE2-NE 3.32Å; F9-R11 VanDerWaalsContact CE2-NH2 3.26Å; F9-V37 CarbonylContact C-O 3.48Å; F9-V37 WeakPolarHBondContact CA-O 3.38Å
10V40.9Very low43.4Very low0 Ų093.5 Ų93.50%042%0.418CS..EExtended strand (participates in β ladder)trans-68.8145.4162-155.60000108.5S8 I12 G36 V37 L39 P43 W83S8-V10 PolarHBondContact O-N 2.86Å; V10-I12 HydrophobicContact CG1-CG1 3.92Å; V10-G36 WeakPolarHBondContact O-CA 3.19Å; V10-V37 PolarHBondContact N-O 2.84Å; V10-V37 PolarHBondContact O-N 3.07Å; V10-L39 HydrophobicContact CG2-CB 4.18Å; V10-L39 HydrophobicContact CG2-CD1 4.22Å; V10-P43 HydrophobicContact CB-CG 4.4Å; V10-P43 HydrophobicContact CG1-CG 3.89Å; V10-P43 HydrophobicContact CG2-CG 4.08Å; V10-W83 HydrophobicContact CB-CE3 4.22Å; V10-W83 HydrophobicContact CB-CZ3 4.05Å; V10-W83 HydrophobicContact CG1-CE3 3.84Å; V10-W83 HydrophobicContact CG1-CZ3 4.11Å; V10-W83 HydrophobicContact CG2-CE3 4.27Å; V10-W83 HydrophobicContact CG2-CH2 4.34Å; V10-W83 HydrophobicContact CG2-CZ3 3.66Å
11R49.7Very low43Very low151 Ų15199.8 Ų99.857%0.5744%0.439SS*.EExtended strand (participates in β ladder)trans-122.863175.2-66.1-170.3-178.8169.13.7112.2F9 R13F9-R11 HydrophobicContact CD2-CG 3.93Å; F9-R11 HydrophobicContact CE2-CG 4.44Å; F9-R11 VanDerWaalsContact CE2-NE 3.32Å; F9-R11 VanDerWaalsContact CE2-NH2 3.26Å; R11-R13 PolarHBondContact O-N 2.8Å
12I54.7Low42.9Very low2 Ų295 Ų951%0.0141%0.413CS..EExtended strand (participates in β ladder)trans-59.5132.5172.6-49.5178.8000108.8V10 L14 Y35 P43 V48 L87V10-I12 HydrophobicContact CG1-CG1 3.92Å; I12-L14 HydrophobicContact CG2-CG 4.05Å; I12-Y35 PolarHBondContact N-O 3.39Å; I12-Y35 WeakPolarHBondContact O-CA 3.11Å; I12-Y35 WeakPolarHBondContact O-CB 3.39Å; I12-Y35 PolarHBondContact O-N 3.09Å; I12-P43 HydrophobicContact CD1-CB 4.23Å; I12-P43 HydrophobicContact CD1-CG 3.77Å; I12-P43 HydrophobicContact CG1-CG 4.31Å; I12-V48 HydrophobicContact CD1-CG1 4.45Å; I12-V48 HydrophobicContact CD1-CG2 3.41Å; I12-V48 VanDerWaalsContact CD1-CG2 3.41Å; I12-L87 HydrophobicContact CG2-CB 4.2Å; I12-L87 HydrophobicContact CG2-CD1 3.58Å; I12-L87 HydrophobicContact CG2-CG 3.82Å
13R55.8Low43.1Very low88 Ų8891.5 Ų91.533%0.33241%0.41SS..EExtended strand (participates in β ladder)trans-94109.3169.2-166.7-171.5-165.6-170.4-0.7108.9R11 L34 D85 E86 L87R11-R13 PolarHBondContact O-N 2.8Å; R13-L34 HydrophobicContact CB-CD1 4.49Å; R13-L34 HydrophobicContact CG-CD1 4.12Å; R13-D85 PolarHBondContact N-O 3.3Å; R13-E86 HydrophobicContact CB-CB 4.4Å; R13-E86 HydrophobicContact CB-CG 4.05Å; R13-E86 WeakPolarHBondContact CD-OE1 3.45Å; R13-E86 VanDerWaalsContact CD-OE2 3.32Å; R13-E86 WeakPolarHBondContact CD-OE2 3.1Å; R13-E86 IonicContact CZ-OE1 2.81Å; R13-E86 IonicContact CZ-OE2 2.81Å; R13-E86 IonicContact NE-OE1 2.71Å; R13-E86 IonicContact NE-OE2 3.86Å; R13-E86 IonicContact NH1-OE1 2.67Å; R13-E86 PolarHBondContact NH1-OE1 2.96Å; R13-E86 IonicContact NH1-OE2 3.82Å; R13-E86 PolarHBondContact NH1-OE2 3.1Å; R13-L87 PolarHBondContact O-N 2.85Å; R13-L87 VanDerWaalsContact O-O 3.06Å
14L59.4Low43.5Very low1 Ų186.5 Ų86.51%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-102.5116-175.2-96.7167.1000111.7I12 W31 K32 I33 Y35 V48 V52 L87 I89I12-L14 HydrophobicContact CG2-CG 4.05Å; L14-W31 VanDerWaalsContact O-O 3.05Å; L14-K32 CarbonylContact O-C 3.59Å; L14-K32 WeakPolarHBondContact O-CA 3.38Å; L14-I33 PolarHBondContact N-O 2.93Å; L14-I33 PolarHBondContact O-N 2.75Å; L14-Y35 HydrophobicContact CD1-CD1 4.08Å; L14-Y35 HydrophobicContact CD1-CD2 3.94Å; L14-Y35 HydrophobicContact CD1-CG 3.69Å; L14-V48 HydrophobicContact CD1-CG1 4.06Å; L14-V48 HydrophobicContact CD2-CG1 4.43Å; L14-V52 HydrophobicContact CD1-CG2 3.51Å; L14-L87 CarbonylContact C-O 3.56Å; L14-L87 VanDerWaalsContact CA-O 3.23Å; L14-L87 WeakPolarHBondContact CA-O 3.32Å; L14-L87 HydrophobicContact CD2-CB 4.1Å; L14-I89 HydrophobicContact CD2-CB 4.13Å; L14-I89 HydrophobicContact CD2-CD1 3.43Å; L14-I89 VanDerWaalsContact CD2-CD1 3.43Å; L14-I89 HydrophobicContact CD2-CG1 3.54Å
15S61.9Low44Very low0 Ų077.8 Ų77.80%039%0.385CS..EExtended strand (participates in β ladder)trans-99106.5170.5-25.50000110.4R17 W31 K32 L87 D88 I89S15-R17 PolarHBondContact O-N 2.97Å; S15-W31 CarbonylContact C-O 3.58Å; S15-W31 WeakPolarHBondContact CA-O 3.29Å; S15-K32 WeakPolarHBondContact OG-CD 3.32Å; S15-K32 WeakPolarHBondContact OG-CE 3.49Å; S15-K32 PolarHBondContact OG-NZ 3.28Å; S15-L87 PolarHBondContact N-O 2.92Å; S15-D88 WeakPolarHBondContact CB-OD1 3.36Å; S15-D88 WeakPolarHBondContact CB-OD2 3.22Å; S15-D88 CarbonylContact O-C 3.48Å; S15-D88 VanDerWaalsContact O-CA 3.27Å; S15-D88 WeakPolarHBondContact O-CA 3.41Å; S15-D88 PolarHBondContact OG-OD1 3Å; S15-I89 PolarHBondContact O-N 3.4Å
16I61.3Low44.2Very low7 Ų772.3 Ų72.34%0.03637%0.374CS..EExtended strand (participates in β ladder)trans-84.6115.1177.5-56.7-179.6000109.5Y18 T30 W31 I33 V52 L56 I89 I91I16-Y18 HydrophobicContact CG2-CE2 4.39Å; I16-T30 CarbonylContact O-C 3.6Å; I16-T30 WeakPolarHBondContact O-CA 3.45Å; I16-W31 HydrophobicContact CB-CB 4.21Å; I16-W31 PolarHBondContact N-O 2.94Å; I16-W31 PolarHBondContact O-N 3.22Å; I16-I33 HydrophobicContact CD1-CD1 3.84Å; I16-V52 HydrophobicContact CD1-CG1 4.44Å; I16-L56 HydrophobicContact CD1-CD1 3.4Å; I16-I89 CarbonylContact C-O 3.6Å; I16-I89 VanDerWaalsContact CA-O 3.25Å; I16-I89 WeakPolarHBondContact CA-O 3.46Å; I16-I91 HydrophobicContact CG2-CD1 3.54Å; I16-I91 HydrophobicContact CG2-CG1 3.94Å
17R54Low44.8Very low51 Ų5170.1 Ų70.119%0.19236%0.358CS..EExtended strand (participates in β ladder)trans-101.6132.4173.7-54.2-159.5-159.6173.28.7109.1S15 L27 T30 D69 D88 I89 W90 I91S15-R17 PolarHBondContact O-N 2.97Å; R17-L27 HydrophobicContact CB-CD2 4.14Å; R17-L27 HydrophobicContact CG-CD2 4.37Å; R17-T30 HydrophobicContact CG-CG2 4.09Å; R17-D69 IonicContact NH2-OD1 3.35Å; R17-D69 PolarHBondContact NH2-OD1 2.95Å; R17-D69 VanDerWaalsContact NH2-OD1 3.16Å; R17-D88 IonicContact CZ-OD2 3.9Å; R17-D88 IonicContact NE-OD2 3Å; R17-D88 PolarHBondContact NE-OD2 2.66Å; R17-D88 IonicContact NH2-OD2 3.76Å; R17-D88 PolarHBondContact NH2-OD2 2.97Å; R17-I89 PolarHBondContact N-O 2.91Å; R17-W90 HydrophobicContact CB-CD2 4.32Å; R17-W90 HydrophobicContact CB-CG 4.12Å; R17-W90 VanDerWaalsContact O-CA 3.32Å; R17-W90 WeakPolarHBondContact O-CA 3.15Å; R17-I91 PolarHBondContact O-N 3.42Å
18Y51.4Low45.1Very low22 Ų2270.1 Ų70.19%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-90.5116173.6-78.2-87.5000110.1I16 L20 S29 I91 F225I16-Y18 HydrophobicContact CG2-CE2 4.39Å; Y18-L20 PolarHBondContact O-N 3.06Å; Y18-S29 PolarHBondContact N-O 2.93Å; Y18-I91 HydrophobicContact CD1-CB 4.14Å; Y18-I91 HydrophobicContact CD1-CD1 4.21Å; Y18-I91 HydrophobicContact CD1-CG2 4.35Å; Y18-I91 HydrophobicContact CE1-CB 4.26Å; Y18-I91 HydrophobicContact CE1-CD1 3.56Å; Y18-I91 HydrophobicContact CE1-CG1 4.48Å; Y18-I91 HydrophobicContact CE1-CG2 4.31Å; Y18-I91 HydrophobicContact CE2-CD1 4.48Å; Y18-F225 HydrophobicContact CD1-CE1 4Å; Y18-F225 HydrophobicContact CD1-CZ 4.05Å; Y18-F225 HydrophobicContact CE1-CD1 4.45Å; Y18-F225 AromaticContact CE1-CE1 3.64Å; Y18-F225 HydrophobicContact CE1-CE1 3.64Å; Y18-F225 HydrophobicContact CE1-CE2 4.43Å; Y18-F225 AromaticContact CE1-CZ 3.64Å; Y18-F225 HydrophobicContact CE1-CZ 3.64Å; Y18-F225 HydrophobicContact CE2-CZ 4.31Å; Y18-F225 AromaticContact CZ-CZ 3.78Å
19A45.3Very low45.4Very low16 Ų1668.9 Ų68.913%0.13234%0.344CS..  trans-82.641.9-179.400000112.8R21 W90 I91 L92 P93A19-R21 VanDerWaalsContact C-N 3.26Å; A19-R21 PolarHBondContact O-N 3.09Å; A19-W90 HydrophobicContact CB-CE3 4.17Å; A19-I91 WeakPolarHBondContact CB-O 3.05Å; A19-I91 PolarHBondContact N-O 2.97Å; A19-L92 HydrophobicContact CB-CD2 3.75Å; A19-P93 WeakPolarHBondContact O-CD 3.37Å
20L40Very low45.6Very low60 Ų6067.4 Ų67.431%0.31434%0.343SS..  trans-73.485.5166.3-77.3168.3000108.3Y18 E22 I28 V231Y18-L20 PolarHBondContact O-N 3.06Å; L20-E22 PolarHBondContact O-N 3.38Å; L20-I28 HydrophobicContact CB-CD1 3.6Å; L20-I28 HydrophobicContact CB-CG1 4.33Å; L20-I28 HydrophobicContact CD1-CD1 4.14Å; L20-V231 HydrophobicContact CD1-CG2 3.86Å
21R36.3Very low46Very low225 Ų22570.7 Ų70.785%0.84936%0.355SS*.  trans-6885.1164-77.6-170177.1-172.81.6109.2A19A19-R21 VanDerWaalsContact C-N 3.26Å; A19-R21 PolarHBondContact O-N 3.09Å
22E32.5Very low46Very low140 Ų14068 Ų6865%0.65435%0.348SS*.  trans-58.6159.7148-69.5-164155.500109.5L20 N24 G25 I28L20-E22 PolarHBondContact O-N 3.38Å; E22-N24 PolarHBondContact O-N 2.9Å; E22-G25 PolarHBondContact O-N 3.45Å; E22-I28 HydrophobicContact CG-CD1 4.23Å
23S34.9Very low45.9Very low120 Ų12070.8 Ų70.884%0.83936%0.362SS*.THydrogen-bonded Turntrans-58.3-13.5-164.655.50000116
24N34.5Very low45.6Very low135 Ų13570.3 Ų70.372%0.72237%0.366SS*.THydrogen-bonded Turntrans-103-9.5-174.9-57-2.7000113.1E22E22-N24 PolarHBondContact O-N 2.9Å
25G37.3Very low45.3Very low53 Ų5370.9 Ų70.955%0.54637%0.368SS..  trans84.43.6174.100000116.6E22E22-G25 PolarHBondContact O-N 3.45Å
26D34.7Very low44.5Very low127 Ų12772.6 Ų72.668%0.67939%0.386SS*.  trans-67.9145.8176.6-75.5-57000112.8
27L40.8Very low44.1Very low75 Ų7573.2 Ų73.239%0.39339%0.389SS..  trans-100.395.4-168-163.9154.8000110.6R17 S29 T30R17-L27 HydrophobicContact CB-CD2 4.14Å; R17-L27 HydrophobicContact CG-CD2 4.37Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 WeakPolarHBondContact CD2-O 3.23Å; L27-S29 PolarHBondContact O-N 2.93Å; L27-S29 VanDerWaalsContact O-N 3.1Å; L27-T30 WeakPolarHBondContact CD2-OG1 3.39Å
28I42.4Very low44Very low59 Ų5975.7 Ų75.730%0.30341%0.407SS..  trans-54.7-36.9-160.4-54.7-171.4000114.7L20 E22 S208L20-I28 HydrophobicContact CB-CD1 3.6Å; L20-I28 HydrophobicContact CB-CG1 4.33Å; L20-I28 HydrophobicContact CD1-CD1 4.14Å; E22-I28 HydrophobicContact CG-CD1 4.23Å; I28-S208 PolarHBondContact O-OG 3Å
29S44.9Very low44.3Very low22 Ų2276.8 Ų76.815%0.15441%0.414CS..  trans-160.3155.4167.560.30000113.6Y18 L27 W31Y18-S29 PolarHBondContact N-O 2.93Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 WeakPolarHBondContact CD2-O 3.23Å; L27-S29 PolarHBondContact O-N 2.93Å; L27-S29 VanDerWaalsContact O-N 3.1Å; S29-W31 PolarHBondContact OG-NE1 3.46Å
30T45.9Very low45Very low62 Ų6283.3 Ų83.338%0.3845%0.447SS..EExtended strand (participates in β ladder)trans-130.5118174.5-65.40000110.8I16 R17 L27I16-T30 CarbonylContact O-C 3.6Å; I16-T30 WeakPolarHBondContact O-CA 3.45Å; R17-T30 HydrophobicContact CG-CG2 4.09Å; L27-T30 WeakPolarHBondContact CD2-OG1 3.39Å
31W48.4Very low46.3Very low69 Ų6987.8 Ų87.826%0.26147%0.466SS..EExtended strand (participates in β ladder)trans-109.898.7-170.1-71.475.9000112.3L14 S15 I16 S29 I33 F204 L205L14-W31 VanDerWaalsContact O-O 3.05Å; S15-W31 CarbonylContact C-O 3.58Å; S15-W31 WeakPolarHBondContact CA-O 3.29Å; I16-W31 HydrophobicContact CB-CB 4.21Å; I16-W31 PolarHBondContact N-O 2.94Å; I16-W31 PolarHBondContact O-N 3.22Å; S29-W31 PolarHBondContact OG-NE1 3.46Å; W31-I33 PolarHBondContact O-N 3.48Å; W31-I33 VanDerWaalsContact O-N 3.16Å; W31-F204 HydrophobicContact CD2-CD1 4.4Å; W31-F204 HydrophobicContact CE3-CD1 4.22Å; W31-F204 HydrophobicContact CH2-CB 3.84Å; W31-F204 AromaticContact CH2-CD1 3.64Å; W31-F204 HydrophobicContact CH2-CD1 3.64Å; W31-F204 HydrophobicContact CH2-CG 4.22Å; W31-F204 HydrophobicContact CZ2-CB 3.53Å; W31-F204 AromaticContact CZ2-CD1 3.79Å; W31-F204 HydrophobicContact CZ2-CD1 3.79Å; W31-F204 HydrophobicContact CZ2-CG 4.07Å; W31-F204 AromaticContact CZ3-CD1 3.84Å; W31-F204 HydrophobicContact CZ3-CD1 3.84Å; W31-L205 WeakPolarHBondContact CH2-O 3.45Å; W31-L205 WeakPolarHBondContact CZ2-O 3.36Å
32K50.5Low47.8Very low94 Ų9480 Ų8041%0.40944%0.441SS..EExtended strand (participates in β ladder)trans-81.591.2178.2-64-129.5176-140.40112.2L14 S15 E86 D88L14-K32 CarbonylContact O-C 3.59Å; L14-K32 WeakPolarHBondContact O-CA 3.38Å; S15-K32 WeakPolarHBondContact OG-CD 3.32Å; S15-K32 WeakPolarHBondContact OG-CE 3.49Å; S15-K32 PolarHBondContact OG-NZ 3.28Å; K32-E86 IonicContact NZ-OE2 3.79Å; K32-E86 PolarHBondContact NZ-OE2 2.86Å; K32-D88 IonicContact NZ-OD1 3.6Å
33I52.5Low49.8Very low61 Ų6173.4 Ų73.431%0.31341%0.41SS..EExtended strand (participates in β ladder)trans-85.9131.6173.6-56.4177.9000109.6L14 I16 W31 Y35L14-I33 PolarHBondContact N-O 2.93Å; L14-I33 PolarHBondContact O-N 2.75Å; I16-I33 HydrophobicContact CD1-CD1 3.84Å; W31-I33 PolarHBondContact O-N 3.48Å; W31-I33 VanDerWaalsContact O-N 3.16Å; I33-Y35 HydrophobicContact CG2-CD2 4.31Å
34L48.1Very low52Low78 Ų7869.1 Ų69.141%0.40838%0.379SS..EExtended strand (participates in β ladder)trans-85.2112.2165.4-136.792000108.6R13 L250R13-L34 HydrophobicContact CB-CD1 4.49Å; R13-L34 HydrophobicContact CG-CD1 4.12Å; L34-L250 HydrophobicContact CB-CD1 4.13Å
35Y53Low54.1Low12 Ų1262.7 Ų62.75%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-101.8100.7-167.5-158.1-99.5000111.3I12 L14 I33 V37 S51 V52 R55I12-Y35 PolarHBondContact N-O 3.39Å; I12-Y35 WeakPolarHBondContact O-CA 3.11Å; I12-Y35 WeakPolarHBondContact O-CB 3.39Å; I12-Y35 PolarHBondContact O-N 3.09Å; L14-Y35 HydrophobicContact CD1-CD1 4.08Å; L14-Y35 HydrophobicContact CD1-CD2 3.94Å; L14-Y35 HydrophobicContact CD1-CG 3.69Å; I33-Y35 HydrophobicContact CG2-CD2 4.31Å; Y35-V37 HydrophobicContact CD1-CG2 3.47Å; Y35-V37 VanDerWaalsContact CD1-CG2 3.47Å; Y35-V37 HydrophobicContact CE1-CG2 3.49Å; Y35-V37 VanDerWaalsContact CE1-CG2 3.49Å; Y35-S51 VanDerWaalsContact OH-CB 3.31Å; Y35-S51 WeakPolarHBondContact OH-CB 3.35Å; Y35-S51 PolarHBondContact OH-O 3.24Å; Y35-S51 PolarHBondContact OH-OG 3.23Å; Y35-V52 HydrophobicContact CE1-CG2 4.48Å; Y35-V52 HydrophobicContact CE2-CG2 4.1Å; Y35-V52 PolarHBondContact OH-N 3.19Å; Y35-R55 WeakPolarHBondContact OH-CD 3.27Å; Y35-R55 WeakPolarHBondContact OH-CG 3.5Å; Y35-R55 PolarHBondContact OH-NE 2.95Å; Y35-R55 PolarHBondContact OH-NH1 3.32Å
36G46.6Very low56.1Low37 Ų3764.9 Ų64.938%0.38134%0.339SS..EExtended strand (participates in β ladder)trans-78.9127170.800000111.5V10 R55V10-G36 WeakPolarHBondContact O-CA 3.19Å; G36-R55 PolarHBondContact O-NH1 3.04Å; G36-R55 PolarHBondContact O-NH2 3.05Å
37V51.2Low58.2Low19 Ų1962 Ų6212%0.11532%0.324CS..EExtended strand (participates in β ladder)trans-128.9124.3165.1-151.20000107.9F9 V10 Y35 L39F9-V37 CarbonylContact C-O 3.48Å; F9-V37 WeakPolarHBondContact CA-O 3.38Å; V10-V37 PolarHBondContact N-O 2.84Å; V10-V37 PolarHBondContact O-N 3.07Å; Y35-V37 HydrophobicContact CD1-CG2 3.47Å; Y35-V37 VanDerWaalsContact CD1-CG2 3.47Å; Y35-V37 HydrophobicContact CE1-CG2 3.49Å; Y35-V37 VanDerWaalsContact CE1-CG2 3.49Å; V37-L39 HydrophobicContact CB-CD1 4.03Å; V37-L39 HydrophobicContact CB-CG 4Å; V37-L39 HydrophobicContact CG1-CD1 3.91Å; V37-L39 HydrophobicContact CG1-CD2 4.1Å; V37-L39 HydrophobicContact CG1-CG 3.66Å; V37-L39 PolarHBondContact O-N 2.86Å
38D53.6Low60Low103 Ų10358.6 Ų58.655%0.55131%0.306SS*.EExtended strand (participates in β ladder)trans-75.2104.2164.6-95.2-56.2000107S7 S8S7-D38 VanDerWaalsContact CB-OD1 3.27Å; S7-D38 WeakPolarHBondContact CB-OD1 3.49Å; S8-D38 PolarHBondContact N-OD1 2.88Å
39L57Low61.7Low46 Ų4656.3 Ų56.324%0.24129%0.294CS..  trans-129.5137.3174.4-67.8171.5000108S8 V10 V37 E41 P43S8-L39 WeakPolarHBondContact CB-O 3.49Å; S8-L39 PolarHBondContact O-N 2.89Å; S8-L39 VanDerWaalsContact O-N 3.11Å; V10-L39 HydrophobicContact CG2-CB 4.18Å; V10-L39 HydrophobicContact CG2-CD1 4.22Å; V37-L39 HydrophobicContact CB-CD1 4.03Å; V37-L39 HydrophobicContact CB-CG 4Å; V37-L39 HydrophobicContact CG1-CD1 3.91Å; V37-L39 HydrophobicContact CG1-CD2 4.1Å; V37-L39 HydrophobicContact CG1-CG 3.66Å; V37-L39 PolarHBondContact O-N 2.86Å; L39-E41 VanDerWaalsContact CB-O 3.26Å; L39-E41 WeakPolarHBondContact CB-O 3.19Å; L39-E41 PolarHBondContact O-N 2.92Å; L39-P43 HydrophobicContact CD1-CB 3.63Å; L39-P43 HydrophobicContact CD1-CG 4.45Å
40N60Low63.4Low153 Ų15357.3 Ų57.382%0.81830%0.301SS*.SBendtrans-72.5-14178.2-57.9-46.8000112.4
41E66.2Low64.7Low154 Ų15455.3 Ų55.372%0.7229%0.29SS*.SBendtrans-137167.2-170.9-71.6161.8-151.500108.9L39L39-E41 VanDerWaalsContact CB-O 3.26Å; L39-E41 WeakPolarHBondContact CB-O 3.19Å; L39-E41 PolarHBondContact O-N 2.92Å
42L69.3Low65.9Low62 Ų6252.1 Ų52.133%0.32528%0.278SS..PPolyproline II helixtrans-64.8140177.4-69.2161.1000110.8I80 F81 W83L42-I80 HydrophobicContact CB-CG2 3.24Å; L42-I80 HydrophobicContact CD1-CG2 3.75Å; L42-I80 HydrophobicContact CG-CG2 4.08Å; L42-F81 WeakPolarHBondContact CD2-O 3.29Å; L42-W83 HydrophobicContact CD2-CD2 3.98Å; L42-W83 HydrophobicContact CD2-CG 4.16Å; L42-W83 HydrophobicContact CD2-CZ2 3.68Å; L42-W83 VanDerWaalsContact CD2-NE1 3.29Å; L42-W83 HydrophobicContact CG-CZ2 4.14Å
43P74Confident67Low1 Ų149 Ų491%0.00627%0.268CS..PPolyproline II helixtrans-74.6140-177.225.1-25.8000112.1V10 I12 L39 V48 F81V10-P43 HydrophobicContact CB-CG 4.4Å; V10-P43 HydrophobicContact CG1-CG 3.89Å; V10-P43 HydrophobicContact CG2-CG 4.08Å; I12-P43 HydrophobicContact CD1-CB 4.23Å; I12-P43 HydrophobicContact CD1-CG 3.77Å; I12-P43 HydrophobicContact CG1-CG 4.31Å; L39-P43 HydrophobicContact CD1-CB 3.63Å; L39-P43 HydrophobicContact CD1-CG 4.45Å; P43-V48 HydrophobicContact CB-CG2 4.11Å; P43-F81 HydrophobicContact CG-CB 4.33Å; P43-F81 PolarHBondContact O-N 2.83Å
44T80.2Confident67.8Low29 Ų2954 Ų5418%0.17829%0.29CS..BIsolated β-bridgetrans-88.4163169.369.40000112.3K46 D47 V48 S77 Q79 I80T44-K46 PolarHBondContact O-N 3.08Å; T44-K46 VanDerWaalsContact O-N 3.17Å; T44-K46 PolarHBondContact OG1-N 3.01Å; T44-D47 WeakPolarHBondContact CB-OD2 3.31Å; T44-D47 PolarHBondContact N-OD2 2.93Å; T44-D47 PolarHBondContact O-N 3.48Å; T44-D47 VanDerWaalsContact OG1-CG 3.22Å; T44-D47 PolarHBondContact OG1-N 2.86Å; T44-D47 PolarHBondContact OG1-OD2 3.28Å; T44-V48 WeakPolarHBondContact O-CG2 3.46Å; T44-V48 PolarHBondContact O-N 3.27Å; T44-S77 WeakPolarHBondContact CB-O 3.41Å; T44-S77 PolarHBondContact OG1-O 2.83Å; T44-Q79 CarbonylContact C-O 3.58Å; T44-Q79 WeakPolarHBondContact CA-O 3.24Å; T44-I80 HydrophobicContact CG2-CG1 4.43Å
45V78.9Confident68.7Low0 Ų054.9 Ų54.90%029%0.288CS..Hα-helixtrans-42.9-45164.7166.30000112L49 I65 I72 C76 Q79 F81V45-L49 HydrophobicContact CG1-CD1 3.74Å; V45-L49 HydrophobicContact CG1-CG 4.37Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.32Å; V45-L49 PolarHBondContact O-N 3.42Å; V45-I65 HydrophobicContact CG1-CG2 4.2Å; V45-I72 HydrophobicContact CG2-CG2 3.68Å; V45-C76 WeakPolarHBondContact CB-O 3.47Å; V45-C76 WeakPolarHBondContact CG2-O 3.27Å; V45-Q79 HydrophobicContact CG2-CB 3.86Å; V45-Q79 HydrophobicContact CG2-CG 4.46Å; V45-Q79 PolarHBondContact N-O 2.82Å; V45-F81 HydrophobicContact CB-CE2 4.39Å; V45-F81 HydrophobicContact CG2-CE1 4.42Å; V45-F81 HydrophobicContact CG2-CE2 3.82Å; V45-F81 HydrophobicContact CG2-CZ 3.55Å
46K81Confident69.3Low99 Ų9955.8 Ų55.843%0.4329%0.293SS..Hα-helixtrans-63.5-43.1179.4-174.2-176.9174-169.40112.5T44 S50 S77 F105T44-K46 PolarHBondContact O-N 3.08Å; T44-K46 VanDerWaalsContact O-N 3.17Å; T44-K46 PolarHBondContact OG1-N 3.01Å; K46-S50 WeakPolarHBondContact O-CB 3.03Å; K46-S50 PolarHBondContact O-N 2.81Å; K46-S50 PolarHBondContact O-OG 3.14Å; K46-S77 WeakPolarHBondContact CB-O 3.41Å; K46-S77 PolarHBondContact N-O 2.8Å; K46-S77 VanDerWaalsContact N-O 3.15Å; K46-F105 HydrophobicContact CG-CE1 4.22Å
47D78.5Confident70.3Confident68 Ų6858.7 Ų58.736%0.36430%0.3SS..Hα-helixtrans-68.5-41.9-177.8-54.6-51.3000110.9T44 S51T44-D47 WeakPolarHBondContact CB-OD2 3.31Å; T44-D47 PolarHBondContact N-OD2 2.93Å; T44-D47 PolarHBondContact O-N 3.48Å; T44-D47 VanDerWaalsContact OG1-CG 3.22Å; T44-D47 PolarHBondContact OG1-N 2.86Å; T44-D47 PolarHBondContact OG1-OD2 3.28Å; D47-S51 WeakPolarHBondContact O-CB 3.42Å; D47-S51 PolarHBondContact O-N 3.24Å
48V77.6Confident70.9Confident2 Ų258.7 Ų58.71%0.01230%0.299CS..Hα-helixtrans-62.2-53.1175.5-177.30000110.6I12 L14 P43 T44 S50 S51 V52 I65 F81 I89I12-V48 HydrophobicContact CD1-CG1 4.45Å; I12-V48 HydrophobicContact CD1-CG2 3.41Å; I12-V48 VanDerWaalsContact CD1-CG2 3.41Å; L14-V48 HydrophobicContact CD1-CG1 4.06Å; L14-V48 HydrophobicContact CD2-CG1 4.43Å; P43-V48 HydrophobicContact CB-CG2 4.11Å; T44-V48 WeakPolarHBondContact O-CG2 3.46Å; T44-V48 PolarHBondContact O-N 3.27Å; V48-S50 PolarHBondContact O-N 2.82Å; V48-S51 PolarHBondContact O-N 3.19Å; V48-V52 HydrophobicContact CG1-CG2 4.29Å; V48-V52 VanDerWaalsContact O-CB 3.3Å; V48-V52 WeakPolarHBondContact O-CB 3.43Å; V48-V52 WeakPolarHBondContact O-CG2 3.4Å; V48-V52 PolarHBondContact O-N 2.89Å; V48-I65 HydrophobicContact CB-CD1 4.25Å; V48-I65 HydrophobicContact CG1-CD1 3.87Å; V48-F81 HydrophobicContact CB-CE2 4.24Å; V48-F81 HydrophobicContact CG2-CD2 3.69Å; V48-F81 HydrophobicContact CG2-CE2 3.73Å; V48-I89 HydrophobicContact CG1-CD1 4.13Å
49L79.2Confident71.4Confident12 Ų1256.1 Ų56.16%0.06330%0.297CS..Hα-helixtrans-62.1-44.4-179-70.9177.3000112.4V45 S53 L63 I65 T74 I89V45-L49 HydrophobicContact CG1-CD1 3.74Å; V45-L49 HydrophobicContact CG1-CG 4.37Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.32Å; V45-L49 PolarHBondContact O-N 3.42Å; L49-S53 WeakPolarHBondContact O-CB 3.43Å; L49-S53 PolarHBondContact O-N 2.81Å; L49-L63 HydrophobicContact CD2-CB 3.77Å; L49-L63 HydrophobicContact CD2-CD1 4.08Å; L49-I65 HydrophobicContact CD1-CG2 4.3Å; L49-I65 HydrophobicContact CD2-CB 4.1Å; L49-I65 HydrophobicContact CD2-CD1 4.39Å; L49-I65 HydrophobicContact CD2-CG2 4.26Å; L49-I65 HydrophobicContact CG-CG2 4.45Å; L49-T74 HydrophobicContact CD1-CG2 4.1Å; L49-I89 HydrophobicContact CD2-CD1 4.08Å
50S79Confident71.7Confident42 Ų4261 Ų6129%0.29432%0.323SS..Hα-helixtrans-63.4-47.4178.9-55.20000111.1K46 V48 S53 E54K46-S50 WeakPolarHBondContact O-CB 3.03Å; K46-S50 PolarHBondContact O-N 2.81Å; K46-S50 PolarHBondContact O-OG 3.14Å; V48-S50 PolarHBondContact O-N 2.82Å; S50-S53 PolarHBondContact O-N 2.56Å; S50-E54 WeakPolarHBondContact O-CB 3.21Å; S50-E54 PolarHBondContact O-N 3.01Å
51S74Confident71.9Confident21 Ų2156.1 Ų56.115%0.14730%0.297CS..Hα-helixtrans-68.3-37.4-177.9-164.80000112Y35 D47 V48 R55Y35-S51 VanDerWaalsContact OH-CB 3.31Å; Y35-S51 WeakPolarHBondContact OH-CB 3.35Å; Y35-S51 PolarHBondContact OH-O 3.24Å; Y35-S51 PolarHBondContact OH-OG 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.42Å; D47-S51 PolarHBondContact O-N 3.24Å; V48-S51 PolarHBondContact O-N 3.19Å; S51-R55 WeakPolarHBondContact O-CB 3.49Å; S51-R55 WeakPolarHBondContact O-CG 3.49Å; S51-R55 PolarHBondContact O-N 3.03Å
52V72.7Confident72.1Confident1 Ų152.9 Ų52.91%0.00628%0.282CS..Hα-helixtrans-66.2-44175.1168.20000111.2L14 I16 Y35 V48 L56 L58 I89L14-V52 HydrophobicContact CD1-CG2 3.51Å; I16-V52 HydrophobicContact CD1-CG1 4.44Å; Y35-V52 HydrophobicContact CE1-CG2 4.48Å; Y35-V52 HydrophobicContact CE2-CG2 4.1Å; Y35-V52 PolarHBondContact OH-N 3.19Å; V48-V52 HydrophobicContact CG1-CG2 4.29Å; V48-V52 VanDerWaalsContact O-CB 3.3Å; V48-V52 WeakPolarHBondContact O-CB 3.43Å; V48-V52 WeakPolarHBondContact O-CG2 3.4Å; V48-V52 PolarHBondContact O-N 2.89Å; V52-L56 HydrophobicContact CG1-CD1 4.04Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 PolarHBondContact O-N 3.05Å; V52-L58 HydrophobicContact CG1-CD1 4.4Å; V52-I89 HydrophobicContact CB-CD1 4.32Å; V52-I89 HydrophobicContact CG1-CD1 4.14Å; V52-I89 HydrophobicContact CG2-CD1 4.04Å
53S74.4Confident72.4Confident30 Ų3050.7 Ų50.721%0.2127%0.27CS..Hα-helixtrans-62.1-44.2176.1-1720000112L49 S50 D57 L58L49-S53 WeakPolarHBondContact O-CB 3.43Å; L49-S53 PolarHBondContact O-N 2.81Å; S50-S53 PolarHBondContact O-N 2.56Å; S53-D57 PolarHBondContact O-N 3.34Å; S53-D57 VanDerWaalsContact O-N 3.13Å; S53-L58 PolarHBondContact O-N 3.15Å
54E70.4Confident72.4Confident164 Ų16451 Ų5177%0.76627%0.273SS*.Hα-helixtrans-65.6-46177.6-174.2179.7-162.400112.7S50 L56S50-E54 WeakPolarHBondContact O-CB 3.21Å; S50-E54 PolarHBondContact O-N 3.01Å; E54-L56 PolarHBondContact O-N 2.92Å
55R66.2Low72.4Confident97 Ų9749.7 Ų49.737%0.36626%0.264SS..Hα-helixtrans-69.2-19.1-178.4-75.5-161.1-169.8155.6-1.8114.2Y35 G36 S51Y35-R55 WeakPolarHBondContact OH-CD 3.27Å; Y35-R55 WeakPolarHBondContact OH-CG 3.5Å; Y35-R55 PolarHBondContact OH-NE 2.95Å; Y35-R55 PolarHBondContact OH-NH1 3.32Å; G36-R55 PolarHBondContact O-NH1 3.04Å; G36-R55 PolarHBondContact O-NH2 3.05Å; S51-R55 WeakPolarHBondContact O-CB 3.49Å; S51-R55 WeakPolarHBondContact O-CG 3.49Å; S51-R55 PolarHBondContact O-N 3.03Å
56L66.3Low72.1Confident31 Ų3150.8 Ų50.816%0.16227%0.269CS..Hα-helixtrans-115.55.8-175.4-63.8176.1000113.9I16 V52 E54 L58 F202I16-L56 HydrophobicContact CD1-CD1 3.4Å; V52-L56 HydrophobicContact CG1-CD1 4.04Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 PolarHBondContact O-N 3.05Å; E54-L56 PolarHBondContact O-N 2.92Å; L56-L58 HydrophobicContact CB-CD1 3.94Å; L56-L58 HydrophobicContact CB-CD2 4.08Å; L56-L58 HydrophobicContact CB-CG 3.66Å; L56-L58 HydrophobicContact CD1-CD1 4.17Å; L56-L58 PolarHBondContact O-N 3.19Å; L56-F202 VanDerWaalsContact O-CE2 3.26Å; L56-F202 WeakPolarHBondContact O-CE2 3.46Å
57D66.4Low71.8Confident98 Ų9847 Ų4752%0.52426%0.255SS..THydrogen-bonded Turntrans48.640-176.1-162.330.3000113.1S53 G59 F202 K227S53-D57 PolarHBondContact O-N 3.34Å; S53-D57 VanDerWaalsContact O-N 3.13Å; D57-G59 PolarHBondContact O-N 3.35Å; D57-F202 HydrophobicContact CB-CE2 4.18Å; D57-K227 IonicContact OD1-NZ 2.58Å; D57-K227 IonicContact OD2-NZ 2.93Å; D57-K227 PolarHBondContact OD2-NZ 2.82Å
58L63.9Low71.3Confident20 Ų2050.6 Ų50.611%0.10527%0.267CS..  trans-75.2-5.1-174.9-61.6175.4000113.4V52 S53 L56 N60 L61 L63 I91V52-L58 HydrophobicContact CG1-CD1 4.4Å; S53-L58 PolarHBondContact O-N 3.15Å; L56-L58 HydrophobicContact CB-CD1 3.94Å; L56-L58 HydrophobicContact CB-CD2 4.08Å; L56-L58 HydrophobicContact CB-CG 3.66Å; L56-L58 HydrophobicContact CD1-CD1 4.17Å; L56-L58 PolarHBondContact O-N 3.19Å; L58-N60 PolarHBondContact O-N 2.97Å; L58-N60 VanDerWaalsContact O-N 3.14Å; L58-L61 HydrophobicContact CB-CB 4.42Å; L58-L61 HydrophobicContact CB-CD1 4.25Å; L58-L61 HydrophobicContact CD2-CD1 4.03Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 VanDerWaalsContact O-CG 3.31Å; L58-L61 WeakPolarHBondContact O-CG 3.35Å; L58-L61 PolarHBondContact O-N 2.9Å; L58-L63 HydrophobicContact CD1-CD1 4.49Å; L58-L63 HydrophobicContact CD1-CD2 4.02Å; L58-I91 HydrophobicContact CD1-CD1 3.99Å; L58-I91 HydrophobicContact CD1-CG1 4.39Å; L58-I91 HydrophobicContact CD2-CD1 4.04Å
59G65.2Low70.6Confident48 Ų4856.3 Ų56.350%0.49530%0.298SS..THydrogen-bonded Turntrans55.9-115.8174.300000112.7D57D57-G59 PolarHBondContact O-N 3.35Å
60N62.7Low69.9Low149 Ų14962.8 Ų62.880%0.79732%0.323SS*.THydrogen-bonded Turntrans-103.114.3-178.6-64-0.1000113.1L58L58-N60 PolarHBondContact O-N 2.97Å; L58-N60 VanDerWaalsContact O-N 3.14Å
61L64.6Low69.6Low50 Ų5065.8 Ų65.826%0.26233%0.332SS..  trans-62.4137.8176.3-72169.3000110.7L58 I91L58-L61 HydrophobicContact CB-CB 4.42Å; L58-L61 HydrophobicContact CB-CD1 4.25Å; L58-L61 HydrophobicContact CD2-CD1 4.03Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 VanDerWaalsContact O-CG 3.31Å; L58-L61 WeakPolarHBondContact O-CG 3.35Å; L58-L61 PolarHBondContact O-N 2.9Å; L61-I91 HydrophobicContact CB-CG2 4.41Å; L61-I91 HydrophobicContact CD1-CG2 4.13Å
62Q69.9Low69.5Low87 Ų8765.3 Ų65.341%0.40733%0.328SS..EExtended strand (participates in β ladder)trans-79.3128.8-178.8-168.8174.97.700109.8L92Q62-L92 HydrophobicContact CB-CB 4.24Å; Q62-L92 HydrophobicContact CG-CD1 4.23Å; Q62-L92 WeakPolarHBondContact O-CB 3.33Å; Q62-L92 PolarHBondContact O-N 3.45Å
63L75.9Confident69.2Low16 Ų1667.5 Ų67.58%0.08434%0.342CS..EExtended strand (participates in β ladder)trans-112.7125.9-179-56.9-178.4000109.7L49 L58 T74 I89 I91L49-L63 HydrophobicContact CD2-CB 3.77Å; L49-L63 HydrophobicContact CD2-CD1 4.08Å; L58-L63 HydrophobicContact CD1-CD1 4.49Å; L58-L63 HydrophobicContact CD1-CD2 4.02Å; L63-T74 WeakPolarHBondContact O-CG2 3.42Å; L63-I89 HydrophobicContact CB-CG2 4.47Å; L63-I89 HydrophobicContact CD2-CG2 4.26Å; L63-I91 HydrophobicContact CD2-CB 4.41Å; L63-I91 HydrophobicContact CD2-CG1 3.72Å
64S74.4Confident68.9Low8 Ų869.1 Ų69.16%0.05635%0.351CS..EExtended strand (participates in β ladder)trans-99.6147.4161.8-74.30000109.1E71 I89 W90S64-E71 WeakPolarHBondContact CB-OE1 3.48Å; S64-E71 PolarHBondContact OG-OE1 3.17Å; S64-I89 CarbonylContact O-C 3.58Å; S64-I89 WeakPolarHBondContact O-CA 3.45Å; S64-W90 PolarHBondContact N-O 2.83Å; S64-W90 PolarHBondContact O-N 2.95Å
65I79.3Confident68.6Low0 Ų069 Ų690%034%0.343CS..EExtended strand (participates in β ladder)trans-127.3137.6-179-175.9165.8000109V45 V48 L49 I72 F81 L87 D88 I89V45-I65 HydrophobicContact CG1-CG2 4.2Å; V48-I65 HydrophobicContact CB-CD1 4.25Å; V48-I65 HydrophobicContact CG1-CD1 3.87Å; L49-I65 HydrophobicContact CD1-CG2 4.3Å; L49-I65 HydrophobicContact CD2-CB 4.1Å; L49-I65 HydrophobicContact CD2-CD1 4.39Å; L49-I65 HydrophobicContact CD2-CG2 4.26Å; L49-I65 HydrophobicContact CG-CG2 4.45Å; I65-I72 HydrophobicContact CG2-CB 4.14Å; I65-I72 HydrophobicContact CG2-CG2 4.32Å; I65-I72 WeakPolarHBondContact O-CB 3.2Å; I65-I72 PolarHBondContact O-N 2.96Å; I65-F81 HydrophobicContact CD1-CE2 3.93Å; I65-F81 HydrophobicContact CD1-CZ 3.72Å; I65-F81 HydrophobicContact CG1-CZ 4.34Å; I65-L87 HydrophobicContact CD1-CD1 4.14Å; I65-D88 CarbonylContact C-O 3.56Å; I65-I89 HydrophobicContact CB-CG1 3.98Å; I65-I89 HydrophobicContact CD1-CD1 4.04Å; I65-I89 HydrophobicContact CD1-CG1 4.03Å; I65-I89 HydrophobicContact CG1-CD1 4.35Å; I65-I89 HydrophobicContact CG1-CG1 3.78Å
66F73.6Confident68.7Low24 Ų2465.7 Ų65.711%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-128.5146-172.4-64.5-112.6000109.9Y70 E71 L87 D88 W90F66-Y70 CarbonylContact C-O 3.54Å; F66-Y70 WeakPolarHBondContact CA-O 3.41Å; F66-Y70 WeakPolarHBondContact CB-O 3.49Å; F66-E71 HydrophobicContact CD1-CB 3.81Å; F66-E71 HydrophobicContact CD1-CG 4.38Å; F66-E71 HydrophobicContact CD2-CG 4.46Å; F66-E71 HydrophobicContact CE1-CB 3.52Å; F66-E71 HydrophobicContact CE1-CG 3.99Å; F66-E71 HydrophobicContact CE2-CB 4.47Å; F66-E71 HydrophobicContact CE2-CG 4.06Å; F66-E71 HydrophobicContact CG-CB 4.4Å; F66-E71 HydrophobicContact CZ-CB 3.87Å; F66-E71 HydrophobicContact CZ-CG 3.8Å; F66-L87 CarbonylContact O-C 3.5Å; F66-L87 VanDerWaalsContact O-CA 3.26Å; F66-L87 WeakPolarHBondContact O-CA 3.26Å; F66-D88 HydrophobicContact CB-CB 4.15Å; F66-D88 WeakPolarHBondContact CB-O 3.32Å; F66-D88 WeakPolarHBondContact CD2-O 3.39Å; F66-D88 PolarHBondContact N-O 2.9Å; F66-D88 PolarHBondContact O-N 2.84Å; F66-W90 AromaticContact CD2-CD1 3.39Å; F66-W90 AromaticContact CD2-CG 3.98Å; F66-W90 HydrophobicContact CD2-CG 3.98Å; F66-W90 AromaticContact CD2-NE1 3.65Å; F66-W90 HydrophobicContact CE2-CB 3.91Å; F66-W90 AromaticContact CE2-CD1 3.33Å; F66-W90 AromaticContact CE2-CD2 3.8Å; F66-W90 HydrophobicContact CE2-CD2 3.8Å; F66-W90 AromaticContact CE2-CE2 3.93Å; F66-W90 AromaticContact CE2-CG 3.44Å; F66-W90 HydrophobicContact CE2-CG 3.44Å; F66-W90 VanDerWaalsContact CE2-CG 3.44Å; F66-W90 AromaticContact CE2-NE1 3.63Å; F66-W90 AromaticContact CZ-CD2 3.99Å; F66-W90 HydrophobicContact CZ-CD2 3.99Å; F66-W90 AromaticContact CZ-CE2 3.97Å; F66-W90 HydrophobicContact CZ-CE3 4.48Å; F66-W90 HydrophobicContact CZ-CG 4.14Å; F66-W90 HydrophobicContact CZ-CZ2 4.45Å
67S74.4Confident68.9Low19 Ų1966.6 Ų66.613%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-126.6126.7166.6-176.90000108.9D69 Y70S67-D69 VanDerWaalsContact C-N 3.25Å; S67-D69 PolarHBondContact O-N 2.99Å; S67-Y70 PolarHBondContact N-O 3.07Å; S67-Y70 PolarHBondContact O-N 2.84Å
68K68.3Low69.2Low143 Ų14366.4 Ų66.462%0.62235%0.35SS*.THydrogen-bonded Turntrans48.948.3179.6-61.6155.1-166.41440111.9Y70 D85K68-Y70 WeakPolarHBondContact O-CD2 3.46Å; K68-Y70 PolarHBondContact O-N 3.3Å; K68-D85 IonicContact NZ-OD1 3.97Å; K68-D85 PolarHBondContact NZ-OD1 2.86Å
69D62.7Low69.5Low122 Ų12268.6 Ų68.665%0.65236%0.36SS*.THydrogen-bonded Turntrans64.10.8-176.9-59-64.5000117.4R17 S67R17-D69 IonicContact NH2-OD1 3.35Å; R17-D69 PolarHBondContact NH2-OD1 2.95Å; R17-D69 VanDerWaalsContact NH2-OD1 3.16Å; S67-D69 VanDerWaalsContact C-N 3.25Å; S67-D69 PolarHBondContact O-N 2.99Å
70Y64.4Low70Confident149 Ų14971.1 Ų71.158%0.58436%0.361SS*.EExtended strand (participates in β ladder)trans-85131.3168.3-68.5-89.2000111.7F66 S67 K68F66-Y70 CarbonylContact C-O 3.54Å; F66-Y70 WeakPolarHBondContact CA-O 3.41Å; F66-Y70 WeakPolarHBondContact CB-O 3.49Å; S67-Y70 PolarHBondContact N-O 3.07Å; S67-Y70 PolarHBondContact O-N 2.84Å; K68-Y70 WeakPolarHBondContact O-CD2 3.46Å; K68-Y70 PolarHBondContact O-N 3.3Å
71E71.8Confident70.5Confident105 Ų10564.2 Ų64.249%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-71.6127.8171.1-166.3169.8175.200110.4S64 F66S64-E71 WeakPolarHBondContact CB-OE1 3.48Å; S64-E71 PolarHBondContact OG-OE1 3.17Å; F66-E71 HydrophobicContact CD1-CB 3.81Å; F66-E71 HydrophobicContact CD1-CG 4.38Å; F66-E71 HydrophobicContact CD2-CG 4.46Å; F66-E71 HydrophobicContact CE1-CB 3.52Å; F66-E71 HydrophobicContact CE1-CG 3.99Å; F66-E71 HydrophobicContact CE2-CB 4.47Å; F66-E71 HydrophobicContact CE2-CG 4.06Å; F66-E71 HydrophobicContact CG-CB 4.4Å; F66-E71 HydrophobicContact CZ-CB 3.87Å; F66-E71 HydrophobicContact CZ-CG 3.8Å
72I72.9Confident70.7Confident11 Ų1166.7 Ų66.76%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-94.5114.6171.5-66.5166.3000107V45 I65 T74 C76 Q79 F81V45-I72 HydrophobicContact CG2-CG2 3.68Å; I65-I72 HydrophobicContact CG2-CB 4.14Å; I65-I72 HydrophobicContact CG2-CG2 4.32Å; I65-I72 WeakPolarHBondContact O-CB 3.2Å; I65-I72 PolarHBondContact O-N 2.96Å; I72-T74 PolarHBondContact O-N 3.16Å; I72-C76 HydrophobicContact CG2-CB 4.18Å; I72-Q79 VanDerWaalsContact CG2-OE1 3.26Å; I72-F81 HydrophobicContact CD1-CE1 3.56Å; I72-F81 HydrophobicContact CD1-CZ 4Å
73P66.6Low70.5Confident47 Ų4767.9 Ų67.931%0.30534%0.338SS..  trans-61.1138.2-177.8-23.333.5000111.8W75 C76P73-W75 HydrophobicContact CB-CD2 4.06Å; P73-W75 HydrophobicContact CB-CG 4.09Å; P73-W75 HydrophobicContact CB-CZ2 4.02Å; P73-W75 HydrophobicContact CG-CZ2 4.01Å; P73-W75 PolarHBondContact O-N 3.33Å; P73-C76 VanDerWaalsContact O-CB 3.28Å; P73-C76 WeakPolarHBondContact O-CB 3.44Å; P73-C76 PolarHBondContact O-N 3.03Å
74T67.3Low70Confident64 Ų6474.6 Ų74.639%0.39337%0.374SS..THydrogen-bonded Turntrans-63.1-14.1-17852.70000114.4L49 L63 I72L49-T74 HydrophobicContact CD1-CG2 4.1Å; L63-T74 WeakPolarHBondContact O-CG2 3.42Å; I72-T74 PolarHBondContact O-N 3.16Å
75W64.7Low69.7Low161 Ų16175.5 Ų75.561%0.6138%0.378SS*.THydrogen-bonded Turntrans-78.6-19171.158.8-101.5000113.6P73 S77P73-W75 HydrophobicContact CB-CD2 4.06Å; P73-W75 HydrophobicContact CB-CG 4.09Å; P73-W75 HydrophobicContact CB-CZ2 4.02Å; P73-W75 HydrophobicContact CG-CZ2 4.01Å; P73-W75 PolarHBondContact O-N 3.33Å; W75-S77 PolarHBondContact O-N 2.97Å
76C67.3Low69.2Low27 Ų2779.3 Ų79.318%0.18240%0.396CS..  trans-71.740.8168.3-65.80000112V45 I72 P73 S78 Q79V45-C76 WeakPolarHBondContact CB-O 3.47Å; V45-C76 WeakPolarHBondContact CG2-O 3.27Å; I72-C76 HydrophobicContact CG2-CB 4.18Å; P73-C76 VanDerWaalsContact O-CB 3.28Å; P73-C76 WeakPolarHBondContact O-CB 3.44Å; P73-C76 PolarHBondContact O-N 3.03Å; C76-S78 PolarHBondContact O-N 3.33Å; C76-Q79 HydrophobicContact CB-CB 4.27Å; C76-Q79 WeakPolarHBondContact O-CB 3.12Å; C76-Q79 PolarHBondContact O-N 3.19Å
77S71.7Confident69.2Low50 Ų5078.1 Ų78.135%0.3539%0.391SS..THydrogen-bonded Turntrans-58-21.8-172.762.20000114.3T44 K46 W75T44-S77 WeakPolarHBondContact CB-O 3.41Å; T44-S77 PolarHBondContact OG1-O 2.83Å; K46-S77 WeakPolarHBondContact CB-O 3.41Å; K46-S77 PolarHBondContact N-O 2.8Å; K46-S77 VanDerWaalsContact N-O 3.15Å; W75-S77 PolarHBondContact O-N 2.97Å
78S71.5Confident69.1Low94 Ų9478 Ų7866%0.65739%0.389SS*.THydrogen-bonded Turntrans-94.9-2.417756.20000114.8C76 I80C76-S78 PolarHBondContact O-N 3.33Å; S78-I80 PolarHBondContact O-N 2.91Å
79Q70.9Confident69.4Low67 Ų6771.2 Ų71.231%0.31336%0.359SS..PPolyproline II helixtrans-64.2127.2175.5176.3174.9-4.400109.2T44 V45 I72 C76T44-Q79 CarbonylContact C-O 3.58Å; T44-Q79 WeakPolarHBondContact CA-O 3.24Å; V45-Q79 HydrophobicContact CG2-CB 3.86Å; V45-Q79 HydrophobicContact CG2-CG 4.46Å; V45-Q79 PolarHBondContact N-O 2.82Å; I72-Q79 VanDerWaalsContact CG2-OE1 3.26Å; C76-Q79 HydrophobicContact CB-CB 4.27Å; C76-Q79 WeakPolarHBondContact O-CB 3.12Å; C76-Q79 PolarHBondContact O-N 3.19Å
80I75.1Confident69.9Low101 Ų10168.7 Ų68.752%0.51834%0.34SS..BIsolated β-bridgetrans-90.2140.5-177.8-56.9179.2000108.9L42 T44 S78L42-I80 HydrophobicContact CB-CG2 3.24Å; L42-I80 HydrophobicContact CD1-CG2 3.75Å; L42-I80 HydrophobicContact CG-CG2 4.08Å; T44-I80 HydrophobicContact CG2-CG1 4.43Å; S78-I80 PolarHBondContact O-N 2.91Å
81F73.8Confident70.1Confident3 Ų362 Ų621%0.01332%0.315CS..PPolyproline II helixtrans-103.4143.9174.3-64.8-61.8000112.3L42 P43 V45 V48 I65 I72 L87L42-F81 WeakPolarHBondContact CD2-O 3.29Å; P43-F81 HydrophobicContact CG-CB 4.33Å; P43-F81 PolarHBondContact O-N 2.83Å; V45-F81 HydrophobicContact CB-CE2 4.39Å; V45-F81 HydrophobicContact CG2-CE1 4.42Å; V45-F81 HydrophobicContact CG2-CE2 3.82Å; V45-F81 HydrophobicContact CG2-CZ 3.55Å; V48-F81 HydrophobicContact CB-CE2 4.24Å; V48-F81 HydrophobicContact CG2-CD2 3.69Å; V48-F81 HydrophobicContact CG2-CE2 3.73Å; I65-F81 HydrophobicContact CD1-CE2 3.93Å; I65-F81 HydrophobicContact CD1-CZ 3.72Å; I65-F81 HydrophobicContact CG1-CZ 4.34Å; I72-F81 HydrophobicContact CD1-CE1 3.56Å; I72-F81 HydrophobicContact CD1-CZ 4Å; F81-L87 HydrophobicContact CD1-CD1 3.75Å; F81-L87 HydrophobicContact CD1-CD2 3.67Å; F81-L87 HydrophobicContact CD1-CG 4.33Å; F81-L87 HydrophobicContact CD2-CD1 3.65Å; F81-L87 HydrophobicContact CE1-CD1 3.65Å; F81-L87 HydrophobicContact CE1-CD2 3.46Å; F81-L87 VanDerWaalsContact CE1-CD2 3.46Å; F81-L87 HydrophobicContact CE1-CG 4.23Å; F81-L87 HydrophobicContact CE2-CD1 3.52Å; F81-L87 HydrophobicContact CG-CD1 3.74Å; F81-L87 HydrophobicContact CG-CD2 4.44Å; F81-L87 HydrophobicContact CZ-CD1 3.53Å; F81-L87 HydrophobicContact CZ-CD2 4.09Å; F81-L87 HydrophobicContact CZ-CG 4.47Å
82D69Low69.5Low103 Ų10358.6 Ų58.655%0.55130%0.3SS*.PPolyproline II helixtrans-83.2161.3178.6-129-33.7000112.4D84 D85D82-D84 PolarHBondContact O-N 2.69Å; D82-D84 VanDerWaalsContact O-N 3.08Å; D82-D85 PolarHBondContact N-OD2 3.02Å; D82-D85 VanDerWaalsContact N-OD2 3.12Å; D82-D85 PolarHBondContact O-N 2.66Å
83W64.8Low68.3Low111 Ų11159.6 Ų59.642%0.4231%0.307SS..THydrogen-bonded Turntrans-61-24.5-170.5-60.494.6000115.2V10 L42V10-W83 HydrophobicContact CB-CE3 4.22Å; V10-W83 HydrophobicContact CB-CZ3 4.05Å; V10-W83 HydrophobicContact CG1-CE3 3.84Å; V10-W83 HydrophobicContact CG1-CZ3 4.11Å; V10-W83 HydrophobicContact CG2-CE3 4.27Å; V10-W83 HydrophobicContact CG2-CH2 4.34Å; V10-W83 HydrophobicContact CG2-CZ3 3.66Å; L42-W83 HydrophobicContact CD2-CD2 3.98Å; L42-W83 HydrophobicContact CD2-CG 4.16Å; L42-W83 HydrophobicContact CD2-CZ2 3.68Å; L42-W83 VanDerWaalsContact CD2-NE1 3.29Å; L42-W83 HydrophobicContact CG-CZ2 4.14Å
84D66.4Low67.4Low158 Ų15860.7 Ų60.785%0.84532%0.316SS*.THydrogen-bonded Turntrans-110.59.5-176-79.7-44.6000113.6D82D82-D84 PolarHBondContact O-N 2.69Å; D82-D84 VanDerWaalsContact O-N 3.08Å
85D68.2Low66Low26 Ų2664.1 Ų64.114%0.13934%0.337CS..  trans-68.2133.1-179.7-89.3-36.7000113.4R13 K68 D82 L87R13-D85 PolarHBondContact N-O 3.3Å; K68-D85 IonicContact NZ-OD1 3.97Å; K68-D85 PolarHBondContact NZ-OD1 2.86Å; D82-D85 PolarHBondContact N-OD2 3.02Å; D82-D85 VanDerWaalsContact N-OD2 3.12Å; D82-D85 PolarHBondContact O-N 2.66Å; D85-L87 HydrophobicContact CB-CD2 4.14Å
86E68.2Low64.7Low80 Ų8061.9 Ų61.937%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-92.6119.1164.6-56.5-152.6174.200109.5R13 K32R13-E86 HydrophobicContact CB-CB 4.4Å; R13-E86 HydrophobicContact CB-CG 4.05Å; R13-E86 WeakPolarHBondContact CD-OE1 3.45Å; R13-E86 VanDerWaalsContact CD-OE2 3.32Å; R13-E86 WeakPolarHBondContact CD-OE2 3.1Å; R13-E86 IonicContact CZ-OE1 2.81Å; R13-E86 IonicContact CZ-OE2 2.81Å; R13-E86 IonicContact NE-OE1 2.71Å; R13-E86 IonicContact NE-OE2 3.86Å; R13-E86 IonicContact NH1-OE1 2.67Å; R13-E86 PolarHBondContact NH1-OE1 2.96Å; R13-E86 IonicContact NH1-OE2 3.82Å; R13-E86 PolarHBondContact NH1-OE2 3.1Å; K32-E86 IonicContact NZ-OE2 3.79Å; K32-E86 PolarHBondContact NZ-OE2 2.86Å
87L73.6Confident63.2Low0 Ų063 Ų630%035%0.345CS..EExtended strand (participates in β ladder)trans-113.5137-178.7-54.8-178000110.2I12 R13 L14 S15 I65 F66 F81 D85I12-L87 HydrophobicContact CG2-CB 4.2Å; I12-L87 HydrophobicContact CG2-CD1 3.58Å; I12-L87 HydrophobicContact CG2-CG 3.82Å; R13-L87 PolarHBondContact O-N 2.85Å; R13-L87 VanDerWaalsContact O-O 3.06Å; L14-L87 CarbonylContact C-O 3.56Å; L14-L87 VanDerWaalsContact CA-O 3.23Å; L14-L87 WeakPolarHBondContact CA-O 3.32Å; L14-L87 HydrophobicContact CD2-CB 4.1Å; S15-L87 PolarHBondContact N-O 2.92Å; I65-L87 HydrophobicContact CD1-CD1 4.14Å; F66-L87 CarbonylContact O-C 3.5Å; F66-L87 VanDerWaalsContact O-CA 3.26Å; F66-L87 WeakPolarHBondContact O-CA 3.26Å; F81-L87 HydrophobicContact CD1-CD1 3.75Å; F81-L87 HydrophobicContact CD1-CD2 3.67Å; F81-L87 HydrophobicContact CD1-CG 4.33Å; F81-L87 HydrophobicContact CD2-CD1 3.65Å; F81-L87 HydrophobicContact CE1-CD1 3.65Å; F81-L87 HydrophobicContact CE1-CD2 3.46Å; F81-L87 VanDerWaalsContact CE1-CD2 3.46Å; F81-L87 HydrophobicContact CE1-CG 4.23Å; F81-L87 HydrophobicContact CE2-CD1 3.52Å; F81-L87 HydrophobicContact CG-CD1 3.74Å; F81-L87 HydrophobicContact CG-CD2 4.44Å; F81-L87 HydrophobicContact CZ-CD1 3.53Å; F81-L87 HydrophobicContact CZ-CD2 4.09Å; F81-L87 HydrophobicContact CZ-CG 4.47Å; D85-L87 HydrophobicContact CB-CD2 4.14Å
88D72.2Confident61.2Low16 Ų1663.7 Ų63.79%0.08636%0.359CS..EExtended strand (participates in β ladder)trans-109.2121.3174.2-84.935.6000108.5S15 R17 K32 I65 F66S15-D88 WeakPolarHBondContact CB-OD1 3.36Å; S15-D88 WeakPolarHBondContact CB-OD2 3.22Å; S15-D88 CarbonylContact O-C 3.48Å; S15-D88 VanDerWaalsContact O-CA 3.27Å; S15-D88 WeakPolarHBondContact O-CA 3.41Å; S15-D88 PolarHBondContact OG-OD1 3Å; R17-D88 IonicContact CZ-OD2 3.9Å; R17-D88 IonicContact NE-OD2 3Å; R17-D88 PolarHBondContact NE-OD2 2.66Å; R17-D88 IonicContact NH2-OD2 3.76Å; R17-D88 PolarHBondContact NH2-OD2 2.97Å; K32-D88 IonicContact NZ-OD1 3.6Å; I65-D88 CarbonylContact C-O 3.56Å; F66-D88 HydrophobicContact CB-CB 4.15Å; F66-D88 WeakPolarHBondContact CB-O 3.32Å; F66-D88 WeakPolarHBondContact CD2-O 3.39Å; F66-D88 PolarHBondContact N-O 2.9Å; F66-D88 PolarHBondContact O-N 2.84Å
89I74.4Confident59.4Low0 Ų063.7 Ų63.70%035%0.349CS..EExtended strand (participates in β ladder)trans-102.5131.2175.4-77.4-179.5000109.1L14 S15 I16 R17 V48 L49 V52 L63 S64 I65L14-I89 HydrophobicContact CD2-CB 4.13Å; L14-I89 HydrophobicContact CD2-CD1 3.43Å; L14-I89 VanDerWaalsContact CD2-CD1 3.43Å; L14-I89 HydrophobicContact CD2-CG1 3.54Å; S15-I89 PolarHBondContact O-N 3.4Å; I16-I89 CarbonylContact C-O 3.6Å; I16-I89 VanDerWaalsContact CA-O 3.25Å; I16-I89 WeakPolarHBondContact CA-O 3.46Å; R17-I89 PolarHBondContact N-O 2.91Å; V48-I89 HydrophobicContact CG1-CD1 4.13Å; L49-I89 HydrophobicContact CD2-CD1 4.08Å; V52-I89 HydrophobicContact CB-CD1 4.32Å; V52-I89 HydrophobicContact CG1-CD1 4.14Å; V52-I89 HydrophobicContact CG2-CD1 4.04Å; L63-I89 HydrophobicContact CB-CG2 4.47Å; L63-I89 HydrophobicContact CD2-CG2 4.26Å; S64-I89 CarbonylContact O-C 3.58Å; S64-I89 WeakPolarHBondContact O-CA 3.45Å; I65-I89 HydrophobicContact CB-CG1 3.98Å; I65-I89 HydrophobicContact CD1-CD1 4.04Å; I65-I89 HydrophobicContact CD1-CG1 4.03Å; I65-I89 HydrophobicContact CG1-CD1 4.35Å; I65-I89 HydrophobicContact CG1-CG1 3.78Å
90W72.3Confident57.3Low69 Ų6969.2 Ų69.226%0.26138%0.375SS..EExtended strand (participates in β ladder)trans-105.8123175.9-68.341.1000108.9R17 A19 S64 F66R17-W90 HydrophobicContact CB-CD2 4.32Å; R17-W90 HydrophobicContact CB-CG 4.12Å; R17-W90 VanDerWaalsContact O-CA 3.32Å; R17-W90 WeakPolarHBondContact O-CA 3.15Å; A19-W90 HydrophobicContact CB-CE3 4.17Å; S64-W90 PolarHBondContact N-O 2.83Å; S64-W90 PolarHBondContact O-N 2.95Å; F66-W90 AromaticContact CD2-CD1 3.39Å; F66-W90 AromaticContact CD2-CG 3.98Å; F66-W90 HydrophobicContact CD2-CG 3.98Å; F66-W90 AromaticContact CD2-NE1 3.65Å; F66-W90 HydrophobicContact CE2-CB 3.91Å; F66-W90 AromaticContact CE2-CD1 3.33Å; F66-W90 AromaticContact CE2-CD2 3.8Å; F66-W90 HydrophobicContact CE2-CD2 3.8Å; F66-W90 AromaticContact CE2-CE2 3.93Å; F66-W90 AromaticContact CE2-CG 3.44Å; F66-W90 HydrophobicContact CE2-CG 3.44Å; F66-W90 VanDerWaalsContact CE2-CG 3.44Å; F66-W90 AromaticContact CE2-NE1 3.63Å; F66-W90 AromaticContact CZ-CD2 3.99Å; F66-W90 HydrophobicContact CZ-CD2 3.99Å; F66-W90 AromaticContact CZ-CE2 3.97Å; F66-W90 HydrophobicContact CZ-CE3 4.48Å; F66-W90 HydrophobicContact CZ-CG 4.14Å; F66-W90 HydrophobicContact CZ-CZ2 4.45Å
91I69.6Low55.2Low9 Ų971.7 Ų71.75%0.04638%0.382CS..EExtended strand (participates in β ladder)trans-85.1112.5171.2-63.1170.4000107.1I16 R17 Y18 A19 L58 L61 L63I16-I91 HydrophobicContact CG2-CD1 3.54Å; I16-I91 HydrophobicContact CG2-CG1 3.94Å; R17-I91 PolarHBondContact O-N 3.42Å; Y18-I91 HydrophobicContact CD1-CB 4.14Å; Y18-I91 HydrophobicContact CD1-CD1 4.21Å; Y18-I91 HydrophobicContact CD1-CG2 4.35Å; Y18-I91 HydrophobicContact CE1-CB 4.26Å; Y18-I91 HydrophobicContact CE1-CD1 3.56Å; Y18-I91 HydrophobicContact CE1-CG1 4.48Å; Y18-I91 HydrophobicContact CE1-CG2 4.31Å; Y18-I91 HydrophobicContact CE2-CD1 4.48Å; A19-I91 WeakPolarHBondContact CB-O 3.05Å; A19-I91 PolarHBondContact N-O 2.97Å; L58-I91 HydrophobicContact CD1-CD1 3.99Å; L58-I91 HydrophobicContact CD1-CG1 4.39Å; L58-I91 HydrophobicContact CD2-CD1 4.04Å; L61-I91 HydrophobicContact CB-CG2 4.41Å; L61-I91 HydrophobicContact CD1-CG2 4.13Å; L63-I91 HydrophobicContact CD2-CB 4.41Å; L63-I91 HydrophobicContact CD2-CG1 3.72Å
92L58.7Low53Low33 Ų3377.1 Ų77.117%0.17341%0.411CS..EExtended strand (participates in β ladder)trans-90.1129.5177.9-60.5177.1000109.8A19 Q62A19-L92 HydrophobicContact CB-CD2 3.75Å; Q62-L92 HydrophobicContact CB-CB 4.24Å; Q62-L92 HydrophobicContact CG-CD1 4.23Å; Q62-L92 WeakPolarHBondContact O-CB 3.33Å; Q62-L92 PolarHBondContact O-N 3.45Å
93P48.9Very low51.1Low33 Ų3376.7 Ų76.721%0.21441%0.412CS..  trans-67.5140.417427.7-34.1000111.2A19 T95 L96A19-P93 WeakPolarHBondContact O-CD 3.37Å; P93-T95 PolarHBondContact O-N 2.99Å; P93-L96 HydrophobicContact CG-CD1 4.1Å; P93-L96 PolarHBondContact O-N 3.13Å; P93-L96 VanDerWaalsContact O-N 3.09Å
94S46.7Very low49.3Very low70 Ų7076.5 Ų76.549%0.4943%0.427SS..THydrogen-bonded Turntrans-57.4-14.8-172.7-38.30000115.4L96 S97S94-L96 VanDerWaalsContact C-N 3.34Å; S94-S97 PolarHBondContact O-OG 3.24Å
95T38.4Very low47.4Very low135 Ų13574.2 Ų74.283%0.82841%0.41SS*.THydrogen-bonded Turntrans-77.8-14.6178.847.70000114P93P93-T95 PolarHBondContact O-N 2.99Å
96L38Very low45.4Very low114 Ų11478.3 Ų78.360%0.59744%0.441SS*.SBendtrans-82.3-18.7173.7-77.5166000113.2P93 S94 G98P93-L96 HydrophobicContact CG-CD1 4.1Å; P93-L96 PolarHBondContact O-N 3.13Å; P93-L96 VanDerWaalsContact O-N 3.09Å; S94-L96 VanDerWaalsContact C-N 3.34Å; L96-G98 PolarHBondContact O-N 3.29Å
97S34.3Very low43.3Very low52 Ų5279.8 Ų79.836%0.36446%0.46SS..  trans-81.475.7-174.165.20000112.8S94 Q99S94-S97 PolarHBondContact O-OG 3.24Å; S97-Q99 PolarHBondContact O-N 2.9Å
98G29.8Very low40.9Very low64 Ų6484.5 Ų84.566%0.6650%0.499SS*.  trans-66.415.8168.200000115.3L96L96-G98 PolarHBondContact O-N 3.29Å
99Q33.4Very low38.6Very low93 Ų9392.9 Ų92.944%0.43554%0.535SS..SBendtrans-133.3117.5168.7-71.1-1721500108.8S97 K101S97-Q99 PolarHBondContact O-N 2.9Å; Q99-K101 PolarHBondContact O-N 2.74Å
100E28.3Very low36.2Very low183 Ų18397.8 Ų97.886%0.85557%0.569SS**  trans-70.375.8161-72.7-168.4116.400110.1
101K29.8Very low33.9Very low154 Ų154100.9 Ų100.967%0.6760%0.596SS**  trans-97.377.9160.8-79.1-179.1179.1157.90108.7Q99 V103Q99-K101 PolarHBondContact O-N 2.74Å; K101-V103 PolarHBondContact O-N 3.25Å
102N27.9Very low31.7Very low116 Ų116105.8 Ų105.862%0.6262%0.622SS**  trans-62.185.8165.8-79.1-59.7000109.3S104N102-S104 PolarHBondContact O-N 2.57Å
103V28.7Very low30Very low94 Ų94108.2 Ų108.257%0.5765%0.647SS**  trans-73.477.1166.9-175.40000107K101 F105K101-V103 PolarHBondContact O-N 3.25Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 HydrophobicContact CB-CE2 4.38Å; V103-F105 HydrophobicContact CB-CZ 4.5Å; V103-F105 HydrophobicContact CG1-CD1 4.25Å; V103-F105 HydrophobicContact CG1-CD2 4.27Å; V103-F105 HydrophobicContact CG1-CE1 3.82Å; V103-F105 HydrophobicContact CG1-CE2 3.85Å; V103-F105 HydrophobicContact CG1-CG 4.46Å; V103-F105 HydrophobicContact CG1-CZ 3.61Å; V103-F105 WeakPolarHBondContact O-CD2 3.31Å; V103-F105 PolarHBondContact O-N 2.89Å
104S26.6Very low28.8Very low107 Ų107112.5 Ų112.575%0.74867%0.668SS**  trans-67.991.2173.461.20000108.3N102 S106N102-S104 PolarHBondContact O-N 2.57Å; S104-S106 PolarHBondContact O-N 3.12Å
105F28.6Very low27.6Very low110 Ų110119.3 Ų119.348%0.48268%0.684SS.*  trans-59105.7170.5-66.9-75.3000108.1K46 V103 S107K46-F105 HydrophobicContact CG-CE1 4.22Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 HydrophobicContact CB-CE2 4.38Å; V103-F105 HydrophobicContact CB-CZ 4.5Å; V103-F105 HydrophobicContact CG1-CD1 4.25Å; V103-F105 HydrophobicContact CG1-CD2 4.27Å; V103-F105 HydrophobicContact CG1-CE1 3.82Å; V103-F105 HydrophobicContact CG1-CE2 3.85Å; V103-F105 HydrophobicContact CG1-CG 4.46Å; V103-F105 HydrophobicContact CG1-CZ 3.61Å; V103-F105 WeakPolarHBondContact O-CD2 3.31Å; V103-F105 PolarHBondContact O-N 2.89Å; F105-S107 PolarHBondContact O-N 3Å
106S25.1Very low26.9Very low113 Ų113118.9 Ų118.979%0.7968%0.684SS**  trans-60.6111.3169.546.30000107.1S104 A108S104-S106 PolarHBondContact O-N 3.12Å; S106-A108 PolarHBondContact O-N 3.08Å
107S23.8Very low26.2Very low110 Ų110117.8 Ų117.877%0.76969%0.691SS**  trans-55.2133.8-179.254.10000108.9F105 K109F105-S107 PolarHBondContact O-N 3Å; S107-K109 PolarHBondContact O-N 2.66Å
108A24.4Very low26Very low100 Ų100124 Ų12483%0.82672%0.715SS**  trans-60.4106.5-176.700000108.7S106 S110S106-A108 PolarHBondContact O-N 3.08Å; A108-S110 PolarHBondContact O-N 3.01Å
109K23Very low25.8Very low192 Ų192128.4 Ų128.484%0.83572%0.723SS**  trans-57.7114.4163.6-82.4-176.1175.5177.50105.9S107 T111S107-K109 PolarHBondContact O-N 2.66Å; K109-T111 VanDerWaalsContact C-N 3.35Å; K109-T111 PolarHBondContact O-N 3.05Å
110S24.6Very low25.5Very low103 Ų103134.1 Ų134.172%0.7274%0.741SS**  trans-59.597.9178.142.90000109.5A108 N112A108-S110 PolarHBondContact O-N 3.01Å; S110-N112 PolarHBondContact O-N 3.43Å
111T23.4Very low25.3Very low133 Ų133132.2 Ų132.282%0.81673%0.732SS**  trans-72.274.8165.247.40000107.9K109 A113K109-T111 VanDerWaalsContact C-N 3.35Å; K109-T111 PolarHBondContact O-N 3.05Å; T111-A113 PolarHBondContact O-N 3.27Å
112N22.6Very low25.3Very low113 Ų113132.9 Ų132.960%0.60474%0.743SS**  trans-56.992155.1-91.133.9000107.2S110 D114S110-N112 PolarHBondContact O-N 3.43Å; N112-D114 WeakPolarHBondContact CB-OD2 3.48Å; N112-D114 PolarHBondContact ND2-OD2 2.95Å; N112-D114 VanDerWaalsContact ND2-OD2 3.09Å; N112-D114 PolarHBondContact O-N 2.91Å
113A23.5Very low25.2Very low83 Ų83132.3 Ų132.369%0.68675%0.754SS**  trans-72.666.9158.600000107.8T111 Y115T111-A113 PolarHBondContact O-N 3.27Å; A113-Y115 PolarHBondContact O-N 3.24Å
114D23.5Very low25.1Very low124 Ų124131.6 Ų131.666%0.66377%0.765SS**  trans-62.998.7173.6-87.1-51000108N112 P116N112-D114 WeakPolarHBondContact CB-OD2 3.48Å; N112-D114 PolarHBondContact ND2-OD2 2.95Å; N112-D114 VanDerWaalsContact ND2-OD2 3.09Å; N112-D114 PolarHBondContact O-N 2.91Å; D114-P116 WeakPolarHBondContact O-CD 3.33Å; D114-P116 VanDerWaalsContact O-N 3.16Å
115Y21.5Very low25.2Very low212 Ų212135.9 Ų135.983%0.83177%0.774SS**  trans-55.3113.4174.8-92.9-106000109.8A113 A117A113-Y115 PolarHBondContact O-N 3.24Å; Y115-A117 PolarHBondContact O-N 3.2Å
116P25Very low25.2Very low126 Ų126136.7 Ų136.782%0.81879%0.79SS**  trans-81.674176.734-32.1000109.3D114 Q118D114-P116 WeakPolarHBondContact O-CD 3.33Å; D114-P116 VanDerWaalsContact O-N 3.16Å; P116-Q118 PolarHBondContact O-N 3.35Å
117A23Very low25.3Very low91 Ų91135.6 Ų135.675%0.75279%0.788SS**  trans-75.262.6-179.200000112.6Y115Y115-A117 PolarHBondContact O-N 3.2Å
118Q29.9Very low25.3Very low184 Ų184136.2 Ų136.286%0.8679%0.787SS**  trans-124.387.3166.1-81.6-164.1-3000111.7P116P116-Q118 PolarHBondContact O-N 3.35Å
119N25.4Very low25.4Very low156 Ų156141 Ų14183%0.83479%0.789SS**  trans22.4137.6139.2-67.7-26.6000121
120R26.4Very low25.6Very low212 Ų212141.3 Ų141.380%0.879%0.794SS**  trans91.7100.6156.4-64.2-160.5135.9136.12.9119.4
121E25.3Very low25.6Very low143 Ų143145.2 Ų145.267%0.66880%0.801SS**  50.794.4111.2-60.1166132.200116.8
122N29.6Very low25.8Very low169 Ų169142.5 Ų142.590%0.90480%0.799SS**  -165.2166.9100.7-103.4-72000112.7
123A25.6Very low25.9Very low104 Ų104144.5 Ų144.586%0.8681%0.805SS**  trans-92.4155.6-175.200000113.5
124G27.2Very low26.2Very low78 Ų78148.6 Ų148.680%0.80481%0.813SS**  trans171.8129.8170.100000113.1
125Q28.5Very low26.4Very low197 Ų197152.7 Ų152.792%0.92182%0.819SS**  trans-89161.9175.5-87.1-179.4-43.400112.5
126P28Very low26.6Very low127 Ų127152.7 Ų152.783%0.82582%0.824SS**  trans-103.1147.1-158.137.9-35.2000116.5
127A26.6Very low26.7Very low90 Ų90157 Ų15774%0.74483%0.829SS**  trans-168.6148.4159.900000108
128T24.8Very low26.7Very low123 Ų123162.2 Ų162.276%0.75584%0.835SS**  cis-164.1157-8.414.80000109.2
129K26.1Very low26.5Very low202 Ų202160.6 Ų160.688%0.87883%0.832SS**  trans60.6124.3160.5-65.2173.8179.8-178.10119.3
130E28.2Very low26.4Very low198 Ų198160 Ų16093%0.92583%0.833SS**  -152.9162.4106.9-131.4176.2-163.400111.2
131E24Very low26.4Very low185 Ų185154.5 Ų154.586%0.86482%0.823SS**  trans-97.1151.2-177.9-72.2-177.780.300112.5
132G26.6Very low26.3Very low76 Ų76155.8 Ų155.878%0.78483%0.829SS**  trans-146.640.2-173.300000115.9I134G132-I134 PolarHBondContact O-N 3.12Å
133Q24.5Very low26.2Very low154 Ų154159.6 Ų159.672%0.7283%0.831SS**  trans-70121.5170.4-74-167.424.200111.3
134I30.5Very low26.1Very low169 Ų169163.3 Ų163.387%0.86783%0.83SS**  trans-116.8113.8161.8-61.5-176000109.4G132G132-I134 PolarHBondContact O-N 3.12Å
135R28.1Very low26.4Very low211 Ų211165.6 Ų165.680%0.79683%0.834SS**  trans-85.4155179.2-75.8178.3169.6-175-5.8112.1
136K25Very low26.2Very low211 Ų211159.9 Ų159.992%0.91783%0.828SS**  trans-48.6143165-58.3172.7-179.6176.90111.3
137K27.9Very low26.3Very low216 Ų216160 Ų16094%0.93983%0.832SS**  trans-122.1153.1157.3-89.5-171.3174.9-179.60110.9
138K23.5Very low26.2Very low202 Ų202164.9 Ų164.988%0.87884%0.839SS**  trans-116.1158.8-174.2-172.3178.6177.1-174.90109.5
139L23.8Very low26.4Very low149 Ų149163.2 Ų163.278%0.7884%0.838SS**  trans-50.9143.8179.8-151.881.1000114V141L139-V141 HydrophobicContact CD2-CG2 3.85Å; L139-V141 HydrophobicContact CG-CG2 4.25Å
140V24Very low26.7Very low143 Ų143162.7 Ų162.787%0.86784%0.836SS**  trans-138.9147.6160.11800000107.1
141V26.5Very low26.7Very low97 Ų97161.9 Ų161.959%0.58883%0.829SS**  trans-127.1142.7-169.7174.90000111.1L139L139-V141 HydrophobicContact CD2-CG2 3.85Å; L139-V141 HydrophobicContact CG-CG2 4.25Å
142E23.9Very low27Very low171 Ų171159.6 Ų159.680%0.79982%0.822SS**  trans58.7133.7162.9-79.4168.5-16200122.8
143R26.7Very low26.8Very low249 Ų249167.4 Ų167.494%0.9483%0.828SS**  -154.1140.5119.9-117.3178.7-178.8175.40.3110.9
144E23.8Very low27.1Very low182 Ų182166 Ų16685%0.8584%0.836SS**  trans-93.3142.9178.5-64.2-171.2115.900113.3
145S32.7Very low26.8Very low125 Ų125167.7 Ų167.787%0.87484%0.836SS**  trans174.5137.8147.753.80000109.1
146G25.8Very low26.7Very low78 Ų78169.5 Ų169.580%0.80484%0.843SS**  cis157.4120.5-9.900000112
147S28.8Very low26.7Very low128 Ų128166.9 Ų166.990%0.89583%0.832SS**  trans-163.4138163.356.40000112.2
148E24.5Very low26.7Very low194 Ų194163.4 Ų163.491%0.90782%0.823SS**  trans-99.6150.3175.3-58.3-175.9100.600111.8
149A30.3Very low26.7Very low88 Ų88159.7 Ų159.773%0.72781%0.808SS**  174.4112.6118.800000115.7
150K31Very low26.9Very low191 Ų191160.5 Ų160.583%0.8381%0.806SS**  trans60.9113.2131.3-67.8165.7-176.4162.40121.9
151K29.4Very low27Very low181 Ų181158.8 Ų158.879%0.78780%0.796SS**  99.3114.7123.9-75.9-178.9171.4-172.90122.4
152L29.1Very low26.9Very low137 Ų137163.4 Ų163.472%0.71780%0.804SS**  73.8107.9127.2-71.4164.7000122.6
153R23.4Very low27Very low239 Ų239161.1 Ų161.190%0.90280%0.797SS**  trans31.5109.4132.3-66.9-178.9172.5-178.2-2119.1
154S29.3Very low27.1Very low126 Ų126155.1 Ų155.188%0.88178%0.784SS**  -168.9171.5103.8-160.20000111.9
155K24.9Very low27.3Very low203 Ų203155 Ų15588%0.88379%0.785SS**  trans-79.9134.9-171.5-61.5177.9178.6-179.90113.4
156R26.5Very low27.1Very low249 Ų249154.2 Ų154.294%0.9477%0.768SS**  trans-150.6156147-119.4177.3-174.8-176.31.5112.5
157K25.1Very low27.2Very low157 Ų157154.6 Ų154.668%0.68375%0.754SS**  trans-35.8132.9-168.8-72.6173.9144.8-131.50118.2E159K157-E159 HydrophobicContact CB-CB 4.36Å; K157-E159 WeakPolarHBondContact CD-OE2 3.33Å; K157-E159 VanDerWaalsContact CE-OE2 3.3Å; K157-E159 WeakPolarHBondContact CE-OE2 3.39Å; K157-E159 IonicContact NZ-OE1 3.79Å; K157-E159 PolarHBondContact NZ-OE1 2.9Å; K157-E159 IonicContact NZ-OE2 3.16Å; K157-E159 PolarHBondContact NZ-OE2 2.89Å
158L27.3Very low27.2Very low142 Ų142156.4 Ų156.474%0.74375%0.753SS**  trans-154.5110.4141.8-158.378.5000104.3K160L158-K160 HydrophobicContact CD1-CG 4.13Å; L158-K160 HydrophobicContact CD2-CB 4.43Å; L158-K160 HydrophobicContact CD2-CD 4.03Å; L158-K160 HydrophobicContact CD2-CG 3.93Å; L158-K160 HydrophobicContact CG-CB 4.24Å; L158-K160 HydrophobicContact CG-CG 3.91Å
159E24Very low27.3Very low124 Ų124154.3 Ų154.358%0.57974%0.744SS**  cis59.547.614.2-147.5166.3-135.700113.1K157K157-E159 HydrophobicContact CB-CB 4.36Å; K157-E159 WeakPolarHBondContact CD-OE2 3.33Å; K157-E159 VanDerWaalsContact CE-OE2 3.3Å; K157-E159 WeakPolarHBondContact CE-OE2 3.39Å; K157-E159 IonicContact NZ-OE1 3.79Å; K157-E159 PolarHBondContact NZ-OE1 2.9Å; K157-E159 IonicContact NZ-OE2 3.16Å; K157-E159 PolarHBondContact NZ-OE2 2.89Å
160K28.5Very low27Very low167 Ų167156.7 Ų156.773%0.72674%0.737SS**  trans-9876.2149.9-99.5-173.4176.4-169.50108.6L158 Y162L158-K160 HydrophobicContact CD1-CG 4.13Å; L158-K160 HydrophobicContact CD2-CB 4.43Å; L158-K160 HydrophobicContact CD2-CD 4.03Å; L158-K160 HydrophobicContact CD2-CG 3.93Å; L158-K160 HydrophobicContact CG-CB 4.24Å; L158-K160 HydrophobicContact CG-CG 3.91Å; K160-Y162 VanDerWaalsContact C-N 3.32Å; K160-Y162 PolarHBondContact O-N 3.49Å
161T24.7Very low26.7Very low107 Ų107153 Ų15366%0.65673%0.731SS**  trans-81.588.9158.1-44.10000106.5
162Y24.8Very low26.7Very low193 Ų193153.8 Ų153.876%0.75773%0.734SS**  trans-148.6104.9167.1-89.2-85000103.9K160 D164K160-Y162 VanDerWaalsContact C-N 3.32Å; K160-Y162 PolarHBondContact O-N 3.49Å; Y162-D164 VanDerWaalsContact C-N 3.31Å
163D26.4Very low26.5Very low124 Ų124153.8 Ų153.866%0.66374%0.735SS**  58.236.263.2-57.6-8.2000113.2
164D28Very low26.6Very low123 Ų123148.2 Ų148.266%0.65873%0.728SS**  trans-134.4-2.1167.7-108-38.1000114.5Y162Y162-D164 VanDerWaalsContact C-N 3.31Å
165M28.8Very low26.4Very low179 Ų179151.8 Ų151.888%0.88273%0.727SS**SBendtrans-86.6-8.8168.1-79.5-86.4-74.700112.9
166E28.8Very low26.4Very low109 Ų109149.4 Ų149.451%0.50973%0.73SS.*SBendtrans-86.9-7.7177.5-137.6-169125.200113.3Q169 K170E166-Q169 PolarHBondContact O-N 2.85Å; E166-K170 WeakPolarHBondContact OE1-CE 3.48Å; E166-K170 IonicContact OE1-NZ 2.66Å; E166-K170 PolarHBondContact OE1-NZ 3.44Å
167V27.2Very low26.3Very low85 Ų85147.4 Ų147.452%0.51572%0.722SS.*G310 helixtrans-80.8-24.7-176.2-1790000112.4Q169V167-Q169 PolarHBondContact O-N 3.28Å
168L28.5Very low26.1Very low167 Ų167146.1 Ų146.187%0.87472%0.719SS**G310 helixtrans-74.2-10.4171.6-125.882000113.4
169Q27Very low25.8Very low150 Ų150147 Ų14770%0.70172%0.719SS**G310 helixtrans-97.8-3.3-172.9-151.17627.700113.7E166 V167E166-Q169 PolarHBondContact O-N 2.85Å; V167-Q169 PolarHBondContact O-N 3.28Å
170K25.2Very low25.8Very low138 Ų138149 Ų14960%0.673%0.726SS**SBendtrans-131.99.8-165.4-78.6174.7172.1169.10116.7E166E166-K170 WeakPolarHBondContact OE1-CE 3.48Å; E166-K170 IonicContact OE1-NZ 2.66Å; E166-K170 PolarHBondContact OE1-NZ 3.44Å
171T24.6Very low25.4Very low114 Ų114146.5 Ų146.570%0.69973%0.729SS**SBendtrans-127.516.5-176.6480000115.4
172K29.6Very low25.4Very low196 Ų196152.5 Ų152.585%0.85274%0.74SS**SBendtrans-119.43.6160.1-80.1-170174.5-177.90114.8T174K172-T174 PolarHBondContact O-N 2.83Å
173D25Very low25.7Very low138 Ų138146.4 Ų146.474%0.73873%0.73SS**SBendtrans-75.461.2166.2-80.7-38.8000111.6
174T24.7Very low25.9Very low121 Ų121143.2 Ų143.274%0.74272%0.717SS**SBendtrans-171.3146.8158.58.60000110.3K172K172-T174 PolarHBondContact O-N 2.83Å
175K25.3Very low26.3Very low201 Ų201141.3 Ų141.387%0.87471%0.713SS**SBendtrans73.28.7178.1-55-172178.1-175.30118.9
176V25.2Very low26.6Very low154 Ų154136.3 Ų136.393%0.93369%0.69SS**  trans-115.276.9146-173.50000107.5
177R22.8Very low27Very low207 Ų207133.5 Ų133.578%0.78168%0.68SS**  trans-117.8132.3-176.6-176.8175175.21543.2108.3
178E22.2Very low27.5Very low130 Ų130138.2 Ų138.261%0.60769%0.689SS**  trans61.484.1172.1-70.2149.1-141.600115.8
179H21.5Very low28.3Very low160 Ų160136 Ų13674%0.74167%0.672SS**SBend-149.6136.8125.7-95.7-79.3000109.3S181H179-S181 PolarHBondContact O-N 2.9Å
180F22.8Very low29Very low166 Ų166130.4 Ų130.473%0.72865%0.648SS**  trans64.127.2172.9-54.9-69000120.9R182F180-R182 PolarHBondContact O-N 3.09Å
181S21.4Very low29.6Very low115 Ų115124.1 Ų124.180%0.80462%0.622SS**  trans-74.555.1163.452.40000113.6H179H179-S181 PolarHBondContact O-N 2.9Å
182R24.5Very low30.5Very low233 Ų233125.3 Ų125.388%0.87962%0.617SS**  trans-139.532.5-177.7-134.9179.5-165.1-173.24.7117.6F180 S184F180-R182 PolarHBondContact O-N 3.09Å; R182-S184 PolarHBondContact O-N 3.32Å
183A29.8Very low31.2Very low65 Ų65124.5 Ų124.554%0.53761%0.609SS.*  trans-53.9124.5151.600000108.6
184S31.9Very low32Very low57 Ų57119.2 Ų119.240%0.39958%0.584SS.*  trans-64.5152.5-171.484.30000111.5R182 N186 V187 R188R182-S184 PolarHBondContact O-N 3.32Å; S184-N186 PolarHBondContact O-N 3.32Å; S184-N186 VanDerWaalsContact O-N 3.1Å; S184-N186 PolarHBondContact OG-N 2.65Å; S184-V187 PolarHBondContact O-N 2.81Å; S184-V187 WeakPolarHBondContact OG-CG2 3.4Å; S184-V187 PolarHBondContact OG-N 3.39Å; S184-V187 VanDerWaalsContact OG-N 3.12Å; S184-R188 PolarHBondContact O-N 2.86Å
185S35.1Very low32.9Very low83 Ų83113.8 Ų113.858%0.5855%0.551SS**THydrogen-bonded Turntrans-62.3-17.7176.255.70000112.7K189S185-K189 WeakPolarHBondContact O-CD 3.28Å; S185-K189 WeakPolarHBondContact O-CG 3.39Å
186N36.2Very low33.9Very low74 Ų74109 Ų10940%0.39654%0.54SS..THydrogen-bonded Turntrans-80-43.3171.4-69-0.7000111.6S184 R188 K189 V190S184-N186 PolarHBondContact O-N 3.32Å; S184-N186 VanDerWaalsContact O-N 3.1Å; S184-N186 PolarHBondContact OG-N 2.65Å; N186-R188 VanDerWaalsContact C-N 3.33Å; N186-R188 PolarHBondContact O-N 3.01Å; N186-K189 CarbonylContact O-C 3.52Å; N186-K189 WeakPolarHBondContact O-CA 3.45Å; N186-K189 WeakPolarHBondContact O-CB 3.3Å; N186-K189 PolarHBondContact O-N 2.65Å; N186-V190 WeakPolarHBondContact O-CG2 3.24Å; N186-V190 PolarHBondContact O-N 3.01Å
187V37.5Very low34.9Very low50 Ų50109.7 Ų109.730%0.30353%0.533SS..Hα-helixtrans-55.7-47.3175.11700000111.1S184 K189 V190 A191 I248S184-V187 PolarHBondContact O-N 2.81Å; S184-V187 WeakPolarHBondContact OG-CG2 3.4Å; S184-V187 PolarHBondContact OG-N 3.39Å; S184-V187 VanDerWaalsContact OG-N 3.12Å; V187-K189 PolarHBondContact O-N 3.15Å; V187-V190 PolarHBondContact O-N 3.11Å; V187-A191 WeakPolarHBondContact O-CB 3.37Å; V187-A191 PolarHBondContact O-N 2.79Å; V187-I248 HydrophobicContact CG2-CD1 3.79Å; V187-I248 HydrophobicContact CG2-CG1 4.12Å
188R36.6Very low35.8Very low183 Ų183102.4 Ų102.469%0.69151%0.51SS*.Hα-helixtrans-65.6-20.3176-76.6-175171.7-177.7-2114.5S184 N186 K192S184-R188 PolarHBondContact O-N 2.86Å; N186-R188 VanDerWaalsContact C-N 3.33Å; N186-R188 PolarHBondContact O-N 3.01Å; R188-K192 WeakPolarHBondContact O-CB 3.28Å; R188-K192 WeakPolarHBondContact O-CG 3.09Å
189K45.1Very low36.6Very low121 Ų12199.2 Ų99.253%0.52650%0.501SS..Hα-helixtrans-85.3-37.7173.5-75.6169.4-175.4174.60112.2S185 N186 V187 R193S185-K189 WeakPolarHBondContact O-CD 3.28Å; S185-K189 WeakPolarHBondContact O-CG 3.39Å; N186-K189 CarbonylContact O-C 3.52Å; N186-K189 WeakPolarHBondContact O-CA 3.45Å; N186-K189 WeakPolarHBondContact O-CB 3.3Å; N186-K189 PolarHBondContact O-N 2.65Å; V187-K189 PolarHBondContact O-N 3.15Å; K189-R193 VanDerWaalsContact O-CG 3.28Å; K189-R193 WeakPolarHBondContact O-CG 3.31Å; K189-R193 PolarHBondContact O-N 2.9Å
190V42.1Very low37Very low33 Ų3394.6 Ų94.620%0.250%0.496CS..Hα-helixtrans-68-49.6176.1174.40000109.8N186 V187 K192 R193 A194N186-V190 WeakPolarHBondContact O-CG2 3.24Å; N186-V190 PolarHBondContact O-N 3.01Å; V187-V190 PolarHBondContact O-N 3.11Å; V190-K192 PolarHBondContact O-N 3.17Å; V190-R193 PolarHBondContact O-N 3.48Å; V190-A194 WeakPolarHBondContact O-CB 3.25Å; V190-A194 PolarHBondContact O-N 2.97Å
191A38.6Very low37.6Very low6 Ų688.2 Ų88.25%0.0547%0.468CS..Hα-helixtrans-53.2-50.2176.500000112.3V187 R193 A194 D195 Y203V187-A191 WeakPolarHBondContact O-CB 3.37Å; V187-A191 PolarHBondContact O-N 2.79Å; A191-R193 PolarHBondContact O-N 2.86Å; A191-R193 VanDerWaalsContact O-N 3.16Å; A191-A194 PolarHBondContact O-N 3.03Å; A191-A194 VanDerWaalsContact O-N 3.17Å; A191-D195 PolarHBondContact O-N 3Å; A191-D195 VanDerWaalsContact O-N 3.07Å; A191-Y203 VanDerWaalsContact CA-CE2 3.47Å; A191-Y203 HydrophobicContact CB-CD2 3.83Å; A191-Y203 HydrophobicContact CB-CE2 3.5Å; A191-Y203 VanDerWaalsContact CB-CE2 3.5Å
192K43.3Very low38.3Very low139 Ų13986.9 Ų86.960%0.60445%0.448SS*.Hα-helixtrans-66.2-10.5177.2-78.8-172.2171.6-1540115.6R188 V190 P199R188-K192 WeakPolarHBondContact O-CB 3.28Å; R188-K192 WeakPolarHBondContact O-CG 3.09Å; V190-K192 PolarHBondContact O-N 3.17Å; K192-P199 HydrophobicContact CG-CB 3.71Å
193R43Very low38.8Very low178 Ų17877.6 Ų77.667%0.67241%0.414SS*.Hα-helixtrans-98.7-30.4172.3-72.8171.1-178.5174.6-1.4112.3K189 V190 A191 E240K189-R193 VanDerWaalsContact O-CG 3.28Å; K189-R193 WeakPolarHBondContact O-CG 3.31Å; K189-R193 PolarHBondContact O-N 2.9Å; V190-R193 PolarHBondContact O-N 3.48Å; A191-R193 PolarHBondContact O-N 2.86Å; A191-R193 VanDerWaalsContact O-N 3.16Å; R193-E240 IonicContact NH1-OE1 3.85Å
194A42Very low39.2Very low27 Ų2776.3 Ų76.322%0.22340%0.396CS..Hα-helixtrans-81-41.6-176.300000112.2V190 A191 Y203 L234V190-A194 WeakPolarHBondContact O-CB 3.25Å; V190-A194 PolarHBondContact O-N 2.97Å; A191-A194 PolarHBondContact O-N 3.03Å; A191-A194 VanDerWaalsContact O-N 3.17Å; A194-Y203 HydrophobicContact CB-CD1 3.65Å; A194-Y203 HydrophobicContact CB-CE1 3.33Å; A194-Y203 HydrophobicContact CB-CG 4.44Å; A194-L234 HydrophobicContact CB-CD1 4.14Å
195D44.1Very low39.3Very low8 Ų875 Ų754%0.04339%0.385CS..  trans-139.7103.8162-160.2-54.3000108.9A191 E197 N198 Y203 K232A191-D195 PolarHBondContact O-N 3Å; A191-D195 VanDerWaalsContact O-N 3.07Å; D195-E197 PolarHBondContact O-N 2.74Å; D195-E197 WeakPolarHBondContact OD1-CB 3.2Å; D195-E197 PolarHBondContact OD1-N 2.94Å; D195-E197 VanDerWaalsContact OD1-N 3.07Å; D195-N198 HydrophobicContact CB-CB 4.19Å; D195-N198 CarbonylContact O-C 3.47Å; D195-N198 PolarHBondContact O-N 3.42Å; D195-N198 PolarHBondContact OD1-N 3.47Å; D195-N198 PolarHBondContact OD1-ND2 2.71Å; D195-N198 VanDerWaalsContact OD1-ND2 3.09Å; D195-N198 PolarHBondContact OD2-ND2 3.36Å; D195-Y203 WeakPolarHBondContact CB-OH 3.26Å; D195-Y203 PolarHBondContact N-OH 2.9Å; D195-K232 IonicContact OD2-NZ 2.75Å; D195-K232 PolarHBondContact OD2-NZ 2.84Å
196P45.3Very low39.2Very low99 Ų9973 Ų7364%0.64337%0.371SS*.SBendtrans-63.1-26178.6-24.335.1000113.8
197E46.8Very low39.1Very low169 Ų16976 Ų7679%0.7939%0.387SS*.SBendtrans-84.5-31.9-178.4-55.1-174156.300111D195 P199D195-E197 PolarHBondContact O-N 2.74Å; D195-E197 WeakPolarHBondContact OD1-CB 3.2Å; D195-E197 PolarHBondContact OD1-N 2.94Å; D195-E197 VanDerWaalsContact OD1-N 3.07Å; E197-P199 WeakPolarHBondContact O-CD 3.3Å
198N42.1Very low38.6Very low55 Ų5576.4 Ų76.429%0.29439%0.391SS..  trans-117.763-177.3-57.8-79.5000113.5D195 G200 H201 Y203D195-N198 HydrophobicContact CB-CB 4.19Å; D195-N198 CarbonylContact O-C 3.47Å; D195-N198 PolarHBondContact O-N 3.42Å; D195-N198 PolarHBondContact OD1-N 3.47Å; D195-N198 PolarHBondContact OD1-ND2 2.71Å; D195-N198 VanDerWaalsContact OD1-ND2 3.09Å; D195-N198 PolarHBondContact OD2-ND2 3.36Å; N198-G200 PolarHBondContact O-N 2.98Å; N198-H201 VanDerWaalsContact CB-CE1 3.49Å; N198-H201 WeakPolarHBondContact CB-CE1 3.15Å; N198-H201 WeakPolarHBondContact CB-ND1 3.38Å; N198-H201 PolarHBondContact O-N 2.81Å; N198-H201 VanDerWaalsContact O-N 3.15Å; N198-Y203 PolarHBondContact O-OH 2.81Å
199P38.1Very low38.2Very low63 Ų6374.8 Ų74.841%0.40940%0.397SS..THydrogen-bonded Turntrans-72.1-0.4-177.833.5-39.3000114.4K192 E197K192-P199 HydrophobicContact CG-CB 3.71Å; E197-P199 WeakPolarHBondContact O-CD 3.3Å
200G29.9Very low37.6Very low63 Ų6374.3 Ų74.365%0.64940%0.398SS*.THydrogen-bonded Turntrans-98.2-9173.400000114.5N198N198-G200 PolarHBondContact O-N 2.98Å
201H35.5Very low37Very low31 Ų3176 Ų7614%0.14441%0.411CS..SBendtrans-64.6145.1172.8-71.7174.7000110.6N198 Y203 F225N198-H201 VanDerWaalsContact CB-CE1 3.49Å; N198-H201 WeakPolarHBondContact CB-CE1 3.15Å; N198-H201 WeakPolarHBondContact CB-ND1 3.38Å; N198-H201 PolarHBondContact O-N 2.81Å; N198-H201 VanDerWaalsContact O-N 3.15Å; H201-Y203 HydrophobicContact CB-CE2 4.16Å; H201-Y203 WeakPolarHBondContact O-CD2 3.41Å; H201-Y203 WeakPolarHBondContact O-CE2 3.31Å; H201-F225 PolarHBondContact CD2-O 2.76Å
202F35.9Very low36.6Very low87 Ų8784.2 Ų84.238%0.38245%0.449SS..  trans-82.1134.9170-65.8-90000109.6L56 D57 F204L56-F202 VanDerWaalsContact O-CE2 3.26Å; L56-F202 WeakPolarHBondContact O-CE2 3.46Å; D57-F202 HydrophobicContact CB-CE2 4.18Å; F202-F204 HydrophobicContact CB-CD2 3.96Å; F202-F204 HydrophobicContact CB-CE1 4.36Å; F202-F204 HydrophobicContact CB-CE2 3.26Å; F202-F204 HydrophobicContact CB-CZ 3.49Å; F202-F204 VanDerWaalsContact CB-CZ 3.49Å; F202-F204 HydrophobicContact CD1-CZ 4.35Å; F202-F204 HydrophobicContact CG-CE2 4.21Å; F202-F204 HydrophobicContact CG-CZ 4.06Å
203Y35.9Very low35.9Very low39 Ų3986.3 Ų86.315%0.15346%0.458CS..EExtended strand (participates in β ladder)trans-111.5118.9179.2-61.6-90.8000108.7A191 A194 D195 N198 H201 L234A191-Y203 VanDerWaalsContact CA-CE2 3.47Å; A191-Y203 HydrophobicContact CB-CD2 3.83Å; A191-Y203 HydrophobicContact CB-CE2 3.5Å; A191-Y203 VanDerWaalsContact CB-CE2 3.5Å; A194-Y203 HydrophobicContact CB-CD1 3.65Å; A194-Y203 HydrophobicContact CB-CE1 3.33Å; A194-Y203 HydrophobicContact CB-CG 4.44Å; D195-Y203 WeakPolarHBondContact CB-OH 3.26Å; D195-Y203 PolarHBondContact N-OH 2.9Å; N198-Y203 PolarHBondContact O-OH 2.81Å; H201-Y203 HydrophobicContact CB-CE2 4.16Å; H201-Y203 WeakPolarHBondContact O-CD2 3.41Å; H201-Y203 WeakPolarHBondContact O-CE2 3.31Å; Y203-L234 HydrophobicContact CD1-CD1 4.1Å; Y203-L234 HydrophobicContact CE1-CD1 3.72Å
204F38.3Very low35.2Very low37 Ų3781.4 Ų81.416%0.16246%0.463CS..EExtended strand (participates in β ladder)trans-120.6118.9-168.9-69.2-69.3000110.1W31 F202 C222 A223 F225W31-F204 HydrophobicContact CD2-CD1 4.4Å; W31-F204 HydrophobicContact CE3-CD1 4.22Å; W31-F204 HydrophobicContact CH2-CB 3.84Å; W31-F204 AromaticContact CH2-CD1 3.64Å; W31-F204 HydrophobicContact CH2-CD1 3.64Å; W31-F204 HydrophobicContact CH2-CG 4.22Å; W31-F204 HydrophobicContact CZ2-CB 3.53Å; W31-F204 AromaticContact CZ2-CD1 3.79Å; W31-F204 HydrophobicContact CZ2-CD1 3.79Å; W31-F204 HydrophobicContact CZ2-CG 4.07Å; W31-F204 AromaticContact CZ3-CD1 3.84Å; W31-F204 HydrophobicContact CZ3-CD1 3.84Å; F202-F204 HydrophobicContact CB-CD2 3.96Å; F202-F204 HydrophobicContact CB-CE1 4.36Å; F202-F204 HydrophobicContact CB-CE2 3.26Å; F202-F204 HydrophobicContact CB-CZ 3.49Å; F202-F204 VanDerWaalsContact CB-CZ 3.49Å; F202-F204 HydrophobicContact CD1-CZ 4.35Å; F202-F204 HydrophobicContact CG-CE2 4.21Å; F202-F204 HydrophobicContact CG-CZ 4.06Å; F204-C222 CarbonylContact O-C 3.59Å; F204-C222 WeakPolarHBondContact O-CA 3.37Å; F204-A223 PolarHBondContact N-O 3.24Å; F204-A223 PolarHBondContact O-N 3.49Å; F204-F225 AromaticContact CD2-CD2 3.62Å; F204-F225 HydrophobicContact CD2-CD2 3.62Å; F204-F225 AromaticContact CD2-CE2 3.55Å; F204-F225 HydrophobicContact CD2-CE2 3.55Å; F204-F225 AromaticContact CE2-CD2 3.92Å; F204-F225 HydrophobicContact CE2-CD2 3.92Å; F204-F225 HydrophobicContact CE2-CE2 4.09Å; F204-F225 HydrophobicContact CG-CE2 4.44Å
205L34.1Very low34.7Very low31 Ų3187.3 Ų87.316%0.16249%0.491CS..EExtended strand (participates in β ladder)trans-69.5126.4170.6-68.6177.5000110.3W31 T220 L236 V242 L245W31-L205 WeakPolarHBondContact CH2-O 3.45Å; W31-L205 WeakPolarHBondContact CZ2-O 3.36Å; L205-T220 HydrophobicContact CD2-CG2 3.41Å; L205-T220 VanDerWaalsContact CD2-CG2 3.41Å; L205-L236 HydrophobicContact CD2-CD1 4.33Å; L205-V242 HydrophobicContact CD1-CG1 3.89Å; L205-L245 HydrophobicContact CD1-CB 3.69Å; L205-L245 HydrophobicContact CD1-CD1 3.65Å; L205-L245 HydrophobicContact CD1-CG 4.3Å; L205-L245 HydrophobicContact CD2-CD1 3.97Å; L205-L245 HydrophobicContact CG-CD1 3.95Å
206S32.2Very low34.3Very low41 Ų4195 Ų9529%0.28753%0.532SS..  trans-73.9128.1163.557.80000110.1S208S206-S208 PolarHBondContact O-N 3.5Å; S206-S208 PolarHBondContact OG-O 2.98Å
207D33.9Very low34.1Very low137 Ų13797.5 Ų97.573%0.73354%0.54SS*.  trans-70.7-14.5162.9-86.9-23.4000111.4D209D207-D209 PolarHBondContact O-N 3.32Å
208S27.9Very low33.8Very low58 Ų5895.7 Ų95.741%0.40653%0.529SS..THydrogen-bonded Turntrans-53.7128.8167.2-33.70000110.3I28 S206I28-S208 PolarHBondContact O-OG 3Å; S206-S208 PolarHBondContact O-N 3.5Å; S206-S208 PolarHBondContact OG-O 2.98Å
209D28Very low33.6Very low149 Ų14995.6 Ų95.680%0.79753%0.531SS*.THydrogen-bonded Turntrans61.444.3177.5-65-14.7000117.9D207 S211D207-D209 PolarHBondContact O-N 3.32Å; D209-S211 PolarHBondContact O-N 2.88Å
210I32.2Very low33.6Very low110 Ų11094.4 Ų94.456%0.56452%0.522SS*.  trans-68.872.1142.9-50-179.2000109.1E212I210-E212 PolarHBondContact O-N 3.38Å; I210-E212 VanDerWaalsContact O-N 3.16Å
211S30.2Very low34Very low68 Ų6895.8 Ų95.848%0.47651%0.509SS..  trans-59.5116.3168.7178.60000109.5D209 K213D209-S211 PolarHBondContact O-N 2.88Å; S211-K213 PolarHBondContact O-N 2.88Å; S211-K213 PolarHBondContact OG-N 3.16Å
212E30.4Very low34.1Very low179 Ų17994.6 Ų94.684%0.83650%0.503SS*.  trans-88.624.1167.9-67.5-154.1131.900112.4I210 G214I210-E212 PolarHBondContact O-N 3.38Å; I210-E212 VanDerWaalsContact O-N 3.16Å; E212-G214 PolarHBondContact O-N 2.93Å
213K28.2Very low34.3Very low184 Ų18491.5 Ų91.580%0.849%0.494SS*.SBendtrans-77.4118.5159.2-68.3-173.1176.8178.70108.3S211 D215S211-K213 PolarHBondContact O-N 2.88Å; S211-K213 PolarHBondContact OG-N 3.16Å; K213-D215 PolarHBondContact O-N 2.98Å
214G28.6Very low34.5Very low75 Ų7589.7 Ų89.777%0.77349%0.487SS*.  trans-76.9101.6-173.300000113E212E212-G214 PolarHBondContact O-N 2.93Å
215D31.4Very low34.4Very low151 Ų15190.1 Ų90.181%0.80749%0.489SS*.  trans-140.7154.9149.1-92.4-50000107.6K213 D217K213-D215 PolarHBondContact O-N 2.98Å; D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 PolarHBondContact O-N 3.17Å
216D36.3Very low34.7Very low168 Ų16891.7 Ų91.790%0.89850%0.496SS*.SBendtrans-72.1-13.7-158.5-98.3-45000116.2K218D216-K218 PolarHBondContact O-N 2.98Å
217D39.2Very low34.8Very low152 Ų15297.5 Ų97.581%0.81352%0.516SS*.  trans-90.378.3-179.3-85.2-32.1000112.6D215 V219D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 PolarHBondContact O-N 3.17Å; D217-V219 PolarHBondContact O-N 3.31Å
218K41.2Very low35.3Very low132 Ų13297.3 Ų97.357%0.57451%0.514SS*.  trans-69.776.8166.1-70.8-150.7173-152.10111.7D216 T220D216-K218 PolarHBondContact O-N 2.98Å; K218-T220 PolarHBondContact O-N 2.81Å; K218-T220 PolarHBondContact O-OG1 2.88Å
219V37.4Very low35.7Very low53 Ų5396.1 Ų96.132%0.32151%0.512SS..  trans-57.6124.2170.5-176.80000109.3D217 Y221 K235D217-V219 PolarHBondContact O-N 3.31Å; V219-Y221 HydrophobicContact CB-CE2 4.24Å; V219-Y221 HydrophobicContact CG1-CD1 4.47Å; V219-Y221 HydrophobicContact CG1-CD2 4.16Å; V219-Y221 HydrophobicContact CG1-CE1 3.91Å; V219-Y221 HydrophobicContact CG1-CE2 3.56Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.42Å; V219-K235 HydrophobicContact CG1-CD 3.87Å; V219-K235 VanDerWaalsContact CG1-CE 3.49Å; V219-K235 HydrophobicContact CG1-CG 3.63Å
220T38.2Very low36.2Very low37 Ų3793.5 Ų93.523%0.22750%0.497CS..EExtended strand (participates in β ladder)trans-111.1128.7177.1-54.80000108.5L205 K218 L236L205-T220 HydrophobicContact CD2-CG2 3.41Å; L205-T220 VanDerWaalsContact CD2-CG2 3.41Å; K218-T220 PolarHBondContact O-N 2.81Å; K218-T220 PolarHBondContact O-OG1 2.88Å; T220-L236 HydrophobicContact CG2-CD1 4.2Å; T220-L236 VanDerWaalsContact O-CB 3.31Å; T220-L236 WeakPolarHBondContact O-CB 3.4Å; T220-L236 PolarHBondContact O-N 3.44Å
221Y38.3Very low36.7Very low93 Ų9391.1 Ų91.137%0.36549%0.488SS..EExtended strand (participates in β ladder)trans-102.9137.1179.9-64.1-82.8000110.8V219 K235V219-Y221 HydrophobicContact CB-CE2 4.24Å; V219-Y221 HydrophobicContact CG1-CD1 4.47Å; V219-Y221 HydrophobicContact CG1-CD2 4.16Å; V219-Y221 HydrophobicContact CG1-CE1 3.91Å; V219-Y221 HydrophobicContact CG1-CE2 3.56Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.42Å; Y221-K235 HydrophobicContact CD1-CB 4.14Å; Y221-K235 HydrophobicContact CD1-CG 4.47Å; Y221-K235 HydrophobicContact CE1-CB 3.94Å; Y221-K235 HydrophobicContact CE1-CD 4.07Å; Y221-K235 HydrophobicContact CE1-CG 3.98Å
222C38.9Very low37.4Very low5 Ų591.9 Ų91.93%0.03448%0.483CS..EExtended strand (participates in β ladder)trans-111.9119.7170.7-85.20000109.4F204 L234F204-C222 CarbonylContact O-C 3.59Å; F204-C222 WeakPolarHBondContact O-CA 3.37Å; C222-L234 HydrophobicContact CB-CB 4.39Å; C222-L234 PolarHBondContact N-O 3.1Å; C222-L234 PolarHBondContact O-N 2.82Å
223A39.2Very low38.2Very low23 Ų2390.1 Ų90.119%0.1947%0.474CS..EExtended strand (participates in β ladder)trans-73.1131.2161.500000109.1F204 F225 V231F204-A223 PolarHBondContact N-O 3.24Å; F204-A223 PolarHBondContact O-N 3.49Å; A223-F225 HydrophobicContact CB-CE2 3.95Å; A223-F225 HydrophobicContact CB-CZ 4.44Å; A223-V231 HydrophobicContact CB-CG1 3.96Å
224S39.9Very low39.1Very low0 Ų082.9 Ų82.90%045%0.445CS..EExtended strand (participates in β ladder)trans-117.6131.9165.362.50000109.2K232 L234S224-K232 PolarHBondContact N-O 2.86Å; S224-K232 PolarHBondContact O-N 3.41Å; S224-K232 PolarHBondContact OG-O 3.1Å; S224-L234 WeakPolarHBondContact OG-CD1 3.27Å
225F37Very low39.9Very low46 Ų4684.9 Ų84.920%0.20243%0.432CS..EExtended strand (participates in β ladder)trans-100.5126.7-176-67.5-99.9000109.9Y18 H201 F204 A223 V231Y18-F225 HydrophobicContact CD1-CE1 4Å; Y18-F225 HydrophobicContact CD1-CZ 4.05Å; Y18-F225 HydrophobicContact CE1-CD1 4.45Å; Y18-F225 AromaticContact CE1-CE1 3.64Å; Y18-F225 HydrophobicContact CE1-CE1 3.64Å; Y18-F225 HydrophobicContact CE1-CE2 4.43Å; Y18-F225 AromaticContact CE1-CZ 3.64Å; Y18-F225 HydrophobicContact CE1-CZ 3.64Å; Y18-F225 HydrophobicContact CE2-CZ 4.31Å; Y18-F225 AromaticContact CZ-CZ 3.78Å; H201-F225 PolarHBondContact CD2-O 2.76Å; F204-F225 AromaticContact CD2-CD2 3.62Å; F204-F225 HydrophobicContact CD2-CD2 3.62Å; F204-F225 AromaticContact CD2-CE2 3.55Å; F204-F225 HydrophobicContact CD2-CE2 3.55Å; F204-F225 AromaticContact CE2-CD2 3.92Å; F204-F225 HydrophobicContact CE2-CD2 3.92Å; F204-F225 HydrophobicContact CE2-CE2 4.09Å; F204-F225 HydrophobicContact CG-CE2 4.44Å; A223-F225 HydrophobicContact CB-CE2 3.95Å; A223-F225 HydrophobicContact CB-CZ 4.44Å; F225-V231 HydrophobicContact CD1-CG2 3.93Å; F225-V231 HydrophobicContact CE1-CG2 3.62Å; F225-V231 HydrophobicContact CZ-CG2 4.33Å
226Q40.1Very low40.6Very low65 Ų6580.4 Ų80.430%0.30441%0.408SS..  trans-83.7156.4170.7-55.1-170.7-64.300110.2D228 G229 N230Q226-D228 PolarHBondContact O-N 2.88Å; Q226-G229 PolarHBondContact O-N 3.12Å; Q226-N230 HydrophobicContact CB-CB 4.31Å; Q226-N230 HydrophobicContact CG-CB 4.45Å; Q226-N230 PolarHBondContact N-O 2.82Å
227K35.4Very low40.7Very low163 Ų16378.5 Ų78.571%0.70940%0.402SS*.THydrogen-bonded Turntrans-59-21.7179-67.5-157.9169.7-126.20114.1D57 G229D57-K227 IonicContact OD1-NZ 2.58Å; D57-K227 IonicContact OD2-NZ 2.93Å; D57-K227 PolarHBondContact OD2-NZ 2.82Å; K227-G229 PolarHBondContact O-N 3.46Å
228D42.7Very low40.7Very low132 Ų13274.1 Ų74.171%0.70639%0.393SS*.THydrogen-bonded Turntrans-82.13.5178.9-44.4-42000113.1Q226 N230Q226-D228 PolarHBondContact O-N 2.88Å; D228-N230 VanDerWaalsContact C-N 3.28Å; D228-N230 PolarHBondContact O-N 3.06Å
229G36.6Very low40.5Very low34 Ų3478.2 Ų78.235%0.35141%0.411SS..SBendtrans84.4-7.6-176.500000114.7Q226 K227Q226-G229 PolarHBondContact O-N 3.12Å; K227-G229 PolarHBondContact O-N 3.46Å
230N39Very low40.6Very low93 Ų9382.1 Ų82.150%0.49743%0.425SS..  trans-65132.1176.5-72.8-38.3000111.9Q226 D228Q226-N230 HydrophobicContact CB-CB 4.31Å; Q226-N230 HydrophobicContact CG-CB 4.45Å; Q226-N230 PolarHBondContact N-O 2.82Å; D228-N230 VanDerWaalsContact C-N 3.28Å; D228-N230 PolarHBondContact O-N 3.06Å
231V43Very low40.4Very low61 Ų6189.2 Ų89.237%0.3745%0.453SS..EExtended strand (participates in β ladder)trans-91.9127.5172-1720000109.4L20 A223 F225L20-V231 HydrophobicContact CD1-CG2 3.86Å; A223-V231 HydrophobicContact CB-CG1 3.96Å; F225-V231 HydrophobicContact CD1-CG2 3.93Å; F225-V231 HydrophobicContact CE1-CG2 3.62Å; F225-V231 HydrophobicContact CZ-CG2 4.33Å
232K45Very low40.2Very low84 Ų8488.9 Ų88.937%0.36546%0.461SS..EExtended strand (participates in β ladder)trans-116.7102.9174.5-179.7-176.7177.8-171.80108.2D195 S224 L234D195-K232 IonicContact OD2-NZ 2.75Å; D195-K232 PolarHBondContact OD2-NZ 2.84Å; S224-K232 PolarHBondContact N-O 2.86Å; S224-K232 PolarHBondContact O-N 3.41Å; S224-K232 PolarHBondContact OG-O 3.1Å; K232-L234 HydrophobicContact CG-CD2 4.44Å
233E47Very low39.9Very low141 Ų14196.3 Ų96.366%0.65949%0.493SS*.EExtended strand (participates in β ladder)trans-70.8135.8174.4-63.3-165.1148.300111.3
234L46.4Very low39.5Very low33 Ų33100.4 Ų100.417%0.17351%0.511CS..EExtended strand (participates in β ladder)trans-127.3112.9-178.3-66.5171.4000109.1A194 Y203 C222 S224 K232 L236A194-L234 HydrophobicContact CB-CD1 4.14Å; Y203-L234 HydrophobicContact CD1-CD1 4.1Å; Y203-L234 HydrophobicContact CE1-CD1 3.72Å; C222-L234 HydrophobicContact CB-CB 4.39Å; C222-L234 PolarHBondContact N-O 3.1Å; C222-L234 PolarHBondContact O-N 2.82Å; S224-L234 WeakPolarHBondContact OG-CD1 3.27Å; K232-L234 HydrophobicContact CG-CD2 4.44Å; L234-L236 PolarHBondContact O-N 3.02Å
235K46.7Very low39.1Very low116 Ų116102.8 Ų102.850%0.50452%0.523SS..EExtended strand (participates in β ladder)trans-73.7110.8177.8-179.2165.3174.9156.70110.4V219 Y221 T237V219-K235 HydrophobicContact CG1-CD 3.87Å; V219-K235 VanDerWaalsContact CG1-CE 3.49Å; V219-K235 HydrophobicContact CG1-CG 3.63Å; Y221-K235 HydrophobicContact CD1-CB 4.14Å; Y221-K235 HydrophobicContact CD1-CG 4.47Å; Y221-K235 HydrophobicContact CE1-CB 3.94Å; Y221-K235 HydrophobicContact CE1-CD 4.07Å; Y221-K235 HydrophobicContact CE1-CG 3.98Å; K235-T237 HydrophobicContact CG-CG2 4.2Å; K235-T237 PolarHBondContact O-N 2.91Å
236L44.3Very low38.7Very low57 Ų57103.6 Ų103.630%0.29854%0.535SS..EExtended strand (participates in β ladder)trans-76.3103.5175.5-61.8-175.9000110.5L205 T220 L234 G238L205-L236 HydrophobicContact CD2-CD1 4.33Å; T220-L236 HydrophobicContact CG2-CD1 4.2Å; T220-L236 VanDerWaalsContact O-CB 3.31Å; T220-L236 WeakPolarHBondContact O-CB 3.4Å; T220-L236 PolarHBondContact O-N 3.44Å; L234-L236 PolarHBondContact O-N 3.02Å; L236-G238 PolarHBondContact O-N 3.46Å
237T39.7Very low38.2Very low128 Ų128105.8 Ų105.879%0.78555%0.549SS*.  trans-93.483.4173.256.30000110.9K235K235-T237 HydrophobicContact CG-CG2 4.2Å; K235-T237 PolarHBondContact O-N 2.91Å
238G37.9Very low38Very low60 Ų60103 Ų10362%0.61954%0.541SS*.SBendtrans-169.9151.1177.600000114.1L236 E240L236-G238 PolarHBondContact O-N 3.46Å; G238-E240 PolarHBondContact O-N 2.96Å
239K38.5Very low37.2Very low218 Ų21899.6 Ų99.695%0.94853%0.53SS*.  trans-77.731.4-177.9-62.6-168.7176.4-170.70114.1K241K239-K241 PolarHBondContact O-N 3.41Å
240E38.1Very low36.6Very low135 Ų135103.9 Ų103.963%0.63155%0.545SS*.  trans-81.4104.6177.8-69.7-172.5173.700109.7R193 G238R193-E240 IonicContact NH1-OE1 3.85Å; G238-E240 PolarHBondContact O-N 2.96Å
241K35.1Very low35.9Very low187 Ų187104 Ų10481%0.81355%0.551SS**  trans-63138176.5-68.7-177.6177.5-179.80109.9K239 K243K239-K241 PolarHBondContact O-N 3.41Å; K241-K243 PolarHBondContact O-N 3.32Å
242V34.9Very low35.1Very low86 Ų86109.1 Ų109.152%0.52156%0.564SS.*THydrogen-bonded Turntrans-68.468.7-178.5-165.80000112L205L205-V242 HydrophobicContact CD1-CG1 3.89Å
243K30.8Very low34.2Very low161 Ų161113 Ų11370%0.758%0.584SS**THydrogen-bonded Turntrans-128.2-28.3176.4-83.6-164.9170.3-168.90113.2K241 S246 N247K241-K243 PolarHBondContact O-N 3.32Å; K243-S246 WeakPolarHBondContact CA-OG 3.49Å; K243-S246 PolarHBondContact O-OG 2.83Å; K243-N247 PolarHBondContact O-ND2 3.19Å; K243-N247 VanDerWaalsContact O-ND2 3.14Å
244D30.8Very low33.2Very low109 Ų109108.4 Ų108.458%0.58356%0.563SS**SBendtrans-81.1-32.9179-80.3-1.2000112N247D244-N247 PolarHBondContact O-N 3.22Å; D244-N247 PolarHBondContact O-ND2 2.84Å
245L31.3Very low32.4Very low49 Ų49110.6 Ų110.626%0.25758%0.579SS.*G310 helixtrans-79.2-23.2177.6-63172.3000112.7L205 N247 I248L205-L245 HydrophobicContact CD1-CB 3.69Å; L205-L245 HydrophobicContact CD1-CD1 3.65Å; L205-L245 HydrophobicContact CD1-CG 4.3Å; L205-L245 HydrophobicContact CD2-CD1 3.97Å; L205-L245 HydrophobicContact CG-CD1 3.95Å; L245-N247 PolarHBondContact O-N 3.35Å; L245-N247 VanDerWaalsContact O-N 3.09Å; L245-I248 HydrophobicContact CB-CD1 4.39Å; L245-I248 HydrophobicContact CD2-CD1 3.61Å; L245-I248 WeakPolarHBondContact O-CB 3.45Å; L245-I248 WeakPolarHBondContact O-CG1 3.34Å; L245-I248 PolarHBondContact O-N 2.84Å
246S29.1Very low32.1Very low63 Ų63113.6 Ų113.644%0.44159%0.593SS.*G310 helixtrans-68.5-1.3169.852.50000114.5K243K243-S246 WeakPolarHBondContact CA-OG 3.49Å; K243-S246 PolarHBondContact O-OG 2.83Å
247N29.6Very low32Very low112 Ų112119.9 Ų119.960%0.59962%0.617SS**G310 helixtrans-90.91.4168.7-58.5-61.6000113.2K243 D244 L245 A249K243-N247 PolarHBondContact O-ND2 3.19Å; K243-N247 VanDerWaalsContact O-ND2 3.14Å; D244-N247 PolarHBondContact O-N 3.22Å; D244-N247 PolarHBondContact O-ND2 2.84Å; L245-N247 PolarHBondContact O-N 3.35Å; L245-N247 VanDerWaalsContact O-N 3.09Å; N247-A249 CarbonylContact C-O 3.52Å
248I30.7Very low32.1Very low105 Ų105119.9 Ų119.954%0.53861%0.607SS.*THydrogen-bonded Turntrans-85.1-34.6175.3-59.9174.7000110.1V187 L245V187-I248 HydrophobicContact CG2-CD1 3.79Å; V187-I248 HydrophobicContact CG2-CG1 4.12Å; L245-I248 HydrophobicContact CB-CD1 4.39Å; L245-I248 HydrophobicContact CD2-CD1 3.61Å; L245-I248 WeakPolarHBondContact O-CB 3.45Å; L245-I248 WeakPolarHBondContact O-CG1 3.34Å; L245-I248 PolarHBondContact O-N 2.84Å
249A27.2Very low32.4Very low59 Ų59123.2 Ų123.249%0.48860%0.604SS.*SBendtrans-77.3145.9158.400000109.9N247N247-A249 CarbonylContact C-O 3.52Å
250L22.7Very low32.8Very low125 Ų125120.6 Ų120.665%0.65459%0.592SS**  trans-63.6127.3170.2-76168000109.3L34 Y252L34-L250 HydrophobicContact CB-CD1 4.13Å; L250-Y252 PolarHBondContact O-N 2.89Å
251P24.1Very low33.1Very low96 Ų96119.8 Ų119.862%0.62359%0.589SS**  trans-70.1102.8-173.227-34.5000110.9E253P251-E253 VanDerWaalsContact C-N 3.28Å; P251-E253 PolarHBondContact O-N 2.66Å
252Y27.5Very low33.2Very low167 Ų167115.7 Ų115.766%0.65557%0.574SS**  trans-7284.7171.1-170.5-115.6000109.7L250 M254L250-Y252 PolarHBondContact O-N 2.89Å; Y252-M254 HydrophobicContact CD1-CB 4.1Å; Y252-M254 HydrophobicContact CD1-CG 3.81Å; Y252-M254 HydrophobicContact CE1-CB 4.07Å; Y252-M254 HydrophobicContact CE1-CE 4.39Å; Y252-M254 HydrophobicContact CE1-CG 3.34Å; Y252-M254 PolarHBondContact O-N 2.93Å
253E24.8Very low33.7Very low167 Ų167115.8 Ų115.878%0.7857%0.571SS**  trans-63.781.3166-91.6-131.6112.300109.7P251 P255P251-E253 VanDerWaalsContact C-N 3.28Å; P251-E253 PolarHBondContact O-N 2.66Å; E253-P255 VanDerWaalsContact O-CD 3.27Å; E253-P255 WeakPolarHBondContact O-CD 3.25Å; E253-P255 VanDerWaalsContact O-N 3.16Å
254M27.9Very low34.5Very low43 Ų43115.8 Ų115.821%0.21257%0.571CS.*  trans-57.9116.1174.7-135.5-101.517700108.5Y252 K256 K258 K259 M262Y252-M254 HydrophobicContact CD1-CB 4.1Å; Y252-M254 HydrophobicContact CD1-CG 3.81Å; Y252-M254 HydrophobicContact CE1-CB 4.07Å; Y252-M254 HydrophobicContact CE1-CE 4.39Å; Y252-M254 HydrophobicContact CE1-CG 3.34Å; Y252-M254 PolarHBondContact O-N 2.93Å; M254-K256 PolarHBondContact O-N 3.26Å; M254-K256 VanDerWaalsContact O-N 3.15Å; M254-K258 HydrophobicContact CE-CB 3.87Å; M254-K258 HydrophobicContact CE-CD 4.41Å; M254-K258 HydrophobicContact SD-CB 3.63Å; M254-K259 HydrophobicContact CB-CB 4.49Å; M254-K259 HydrophobicContact SD-CB 3.82Å; M254-K259 PolarHBondContact SD-N 3.32Å; M254-M262 HydrophobicContact CE-SD 3.4Å; M254-M262 WeakPolarHBondContact CE-SD 3.46Å
255P28.1Very low35Very low80 Ų80119.5 Ų119.552%0.51958%0.577SS.*  trans-54.1126.4-175.3-28.835.8000110.2E253 K257 K258 K259E253-P255 VanDerWaalsContact O-CD 3.27Å; E253-P255 WeakPolarHBondContact O-CD 3.25Å; E253-P255 VanDerWaalsContact O-N 3.16Å; P255-K257 CarbonylContact O-C 3.48Å; P255-K257 PolarHBondContact O-N 2.91Å; P255-K258 PolarHBondContact O-N 3.3Å; P255-K259 PolarHBondContact O-N 2.84Å
256K40.3Very low35.5Very low179 Ų179123.2 Ų123.278%0.77859%0.593SS**Hα-helixtrans-52.5-25.1-164.9-65.9175.7-177.5171.20114.2M254M254-K256 PolarHBondContact O-N 3.26Å; M254-K256 VanDerWaalsContact O-N 3.15Å
257K42.4Very low35.9Very low189 Ų189130.6 Ų130.682%0.82261%0.611SS**Hα-helixtrans-65.5-49.8170.5-66.4-176.5177.2-179.70113.4P255 K260 Q261P255-K257 CarbonylContact O-C 3.48Å; P255-K257 PolarHBondContact O-N 2.91Å; K257-K260 PolarHBondContact O-N 2.59Å; K257-Q261 PolarHBondContact O-N 3.21Å
258K41.8Very low36Very low128 Ų128128 Ų12856%0.55761%0.61SS**Hα-helixtrans-64.7-41.8179.2-89.4-167.7173.2-1760112.2M254 P255 K260 Q261 M262M254-K258 HydrophobicContact CE-CB 3.87Å; M254-K258 HydrophobicContact CE-CD 4.41Å; M254-K258 HydrophobicContact SD-CB 3.63Å; P255-K258 PolarHBondContact O-N 3.3Å; K258-K260 VanDerWaalsContact C-N 3.31Å; K258-K260 PolarHBondContact O-N 2.95Å; K258-Q261 WeakPolarHBondContact O-CA 3.48Å; K258-Q261 WeakPolarHBondContact O-CB 3.44Å; K258-Q261 PolarHBondContact O-N 2.89Å; K258-M262 PolarHBondContact O-N 2.84Å
259K43.6Very low36Very low129 Ų129128.9 Ų128.956%0.56162%0.621SS**Hα-helixtrans-60.3-40.4179.6-168.4167.2-175.41700112.1M254 P255 Q261 L263M254-K259 HydrophobicContact CB-CB 4.49Å; M254-K259 HydrophobicContact SD-CB 3.82Å; M254-K259 PolarHBondContact SD-N 3.32Å; P255-K259 PolarHBondContact O-N 2.84Å; K259-Q261 VanDerWaalsContact C-N 3.29Å; K259-Q261 PolarHBondContact O-N 3.35Å; K259-L263 HydrophobicContact CG-CD1 4.24Å; K259-L263 WeakPolarHBondContact O-CD1 3.38Å; K259-L263 PolarHBondContact O-N 3.27Å; K259-L263 VanDerWaalsContact O-N 3.15Å
260K47.5Very low36.1Very low163 Ų163131.9 Ų131.971%0.70963%0.633SS**Hα-helixtrans-70.7-21.7175.8-160.5171-174176.60113.2K257 K258 K264K257-K260 PolarHBondContact O-N 2.59Å; K258-K260 VanDerWaalsContact C-N 3.31Å; K258-K260 PolarHBondContact O-N 2.95Å; K260-K264 WeakPolarHBondContact O-CG 3.46Å
261Q45.4Very low36.3Very low118 Ų118134.4 Ų134.455%0.55164%0.641SS**Hα-helixtrans-83.5-39.3175.7-162.9172.911.600112.1K257 K258 K259 K264 R265K257-Q261 PolarHBondContact O-N 3.21Å; K258-Q261 WeakPolarHBondContact O-CA 3.48Å; K258-Q261 WeakPolarHBondContact O-CB 3.44Å; K258-Q261 PolarHBondContact O-N 2.89Å; K259-Q261 VanDerWaalsContact C-N 3.29Å; K259-Q261 PolarHBondContact O-N 3.35Å; Q261-K264 PolarHBondContact O-N 2.84Å; Q261-R265 PolarHBondContact O-N 3.13Å; Q261-R265 VanDerWaalsContact O-N 3.08Å
262M36.8Very low36.5Very low101 Ų101138.7 Ų138.750%0.49865%0.653SS.*Hα-helixtrans-64.8-46.8173-80.6-177.767.500112.6M254 K258 K264 R265 Q266M254-M262 HydrophobicContact CE-SD 3.4Å; M254-M262 WeakPolarHBondContact CE-SD 3.46Å; K258-M262 PolarHBondContact O-N 2.84Å; M262-K264 PolarHBondContact O-N 2.94Å; M262-R265 PolarHBondContact O-N 2.86Å; M262-Q266 PolarHBondContact O-N 3Å
263L45.7Very low36.3Very low88 Ų88138.5 Ų138.546%0.46166%0.658SS.*Hα-helixtrans-61.7-28.7175.8-94.976.2000112.7K259 R267K259-L263 HydrophobicContact CG-CD1 4.24Å; K259-L263 WeakPolarHBondContact O-CD1 3.38Å; K259-L263 PolarHBondContact O-N 3.27Å; K259-L263 VanDerWaalsContact O-N 3.15Å; L263-R267 WeakPolarHBondContact O-CG 3.21Å; L263-R267 PolarHBondContact O-N 2.75Å
264K47.6Very low36.3Very low162 Ų162137.3 Ų137.370%0.70466%0.657SS**Hα-helixtrans-70.2-38.3171.4-86.4-169.3168.6-158.50112.7K260 Q261 M262 G268K260-K264 WeakPolarHBondContact O-CG 3.46Å; Q261-K264 PolarHBondContact O-N 2.84Å; M262-K264 PolarHBondContact O-N 2.94Å; K264-G268 PolarHBondContact O-N 2.8Å
265R41.7Very low36.1Very low186 Ų186141.2 Ų141.270%0.70268%0.683SS**Hα-helixtrans-67.5-47.3174.6-76.2-174.8170.9-177.9-4.2111.6Q261 M262 R267 G268 V269Q261-R265 PolarHBondContact O-N 3.13Å; Q261-R265 VanDerWaalsContact O-N 3.08Å; M262-R265 PolarHBondContact O-N 2.86Å; R265-R267 VanDerWaalsContact C-N 3.29Å; R265-R267 PolarHBondContact O-N 3.42Å; R265-G268 WeakPolarHBondContact O-CA 3.02Å; R265-G268 PolarHBondContact O-N 2.93Å; R265-V269 WeakPolarHBondContact O-CG2 3.34Å; R265-V269 PolarHBondContact O-N 2.89Å
266Q40.3Very low35.8Very low127 Ų127142.1 Ų142.159%0.59369%0.691SS**Hα-helixtrans-61.1-34.7178.7-75.5177.7-43.100113M262 G268M262-Q266 PolarHBondContact O-N 3Å; Q266-G268 VanDerWaalsContact C-N 3.26Å; Q266-G268 PolarHBondContact O-N 3.2Å
267R37.7Very low35Very low219 Ų219143 Ų14383%0.82670%0.695SS**THydrogen-bonded Turntrans-76.5-5.9172.7-72.2-173.4176-161.4-2.9114.9L263 R265L263-R267 WeakPolarHBondContact O-CG 3.21Å; L263-R267 PolarHBondContact O-N 2.75Å; R265-R267 VanDerWaalsContact C-N 3.29Å; R265-R267 PolarHBondContact O-N 3.42Å
268G32.6Very low34.1Very low57 Ų57142.7 Ų142.759%0.58869%0.694SS**THydrogen-bonded Turntrans-104-5.5177.100000114.8K264 R265 Q266K264-G268 PolarHBondContact O-N 2.8Å; R265-G268 WeakPolarHBondContact O-CA 3.02Å; R265-G268 PolarHBondContact O-N 2.93Å; Q266-G268 VanDerWaalsContact C-N 3.26Å; Q266-G268 PolarHBondContact O-N 3.2Å
269V30.3Very low33.2Very low124 Ų124144.7 Ų144.775%0.75271%0.71SS**SBendtrans-103.39.1-175174.90000112.1R265R265-V269 WeakPolarHBondContact O-CG2 3.34Å; R265-V269 PolarHBondContact O-N 2.89Å
270V29.7Very low32.3Very low122 Ų122146.6 Ų146.674%0.73972%0.721SS**SBendtrans-109.115-178.7-164.90000111.9
271Q26.1Very low31.1Very low177 Ų177147.5 Ų147.583%0.82773%0.725SS**  trans-138.563.8177.5-71.3-166.2-50.100112.6
272Q28.2Very low30Very low186 Ų186149.9 Ų149.987%0.86974%0.741SS**  trans-160.486.4154.5-107.2175.3-22.800104.9
273E24.6Very low29.6Very low164 Ų164150 Ų15077%0.76675%0.751SS**  58.793.680.8-66-157.1166.300114.4
274N24.7Very low28.7Very low141 Ų141153.9 Ų153.975%0.75477%0.772SS**  trans66.7152.2133.3-42-42.6000118.2
275V23.4Very low27.7Very low126 Ų126150.9 Ų150.976%0.76477%0.772SS**  cis-146.8141.214.4-1700000109.8
276S22.3Very low26.9Very low98 Ų98148.8 Ų148.869%0.68577%0.774SS**  trans61.6141.1160.171.30000118.4
277F23.4Very low26.3Very low199 Ų199150.3 Ų150.387%0.87378%0.782SS**  -132163.962.2-139.2-101.5000115.4
278F22.6Very low25.8Very low182 Ų182144.3 Ų144.380%0.79877%0.773SS**  trans-71.6140.1-177.7-99.5-122.9000113.2
279L24Very low25.6Very low170 Ų170149.6 Ų149.689%0.8979%0.786SS**  -166.291.4129.3-108.1168.9000110.7
280Q22.8Very low25.5Very low169 Ų169148.3 Ų148.379%0.7978%0.783SS**  trans-125.2142.5169-157.6-173.331.400109.3
281K24.3Very low25.5Very low181 Ų181149.2 Ų149.279%0.78779%0.788SS**  trans6878.1-179.4-58.1-173.8177.8-177.50116.3
282L22.3Very low25.4Very low169 Ų169144.4 Ų144.489%0.88578%0.778SS**  -113.7105.5127.1-80.8175.7000108.2
283S27Very low25.4Very low103 Ų103142.8 Ų142.872%0.7278%0.776SS**  trans-152.3117.3170.5-57.80000109.4
284N27.6Very low25.7Very low170 Ų170142.3 Ų142.391%0.90978%0.779SS**  trans69.4117.9165.7-55.9-1.1000117.6
285S25.5Very low25.8Very low99 Ų99143.8 Ų143.869%0.69278%0.781SS**  trans-101.1156.3176.751.20000111.8
286N25.9Very low26.5Very low141 Ų141142.9 Ų142.975%0.75478%0.778SS**  trans68.2153.5165.5-57.46.9000114.5
287E27.9Very low26.9Very low160 Ų160142 Ų14275%0.74878%0.776SS**  cis-148.8125.43.9-124.1151.5-160.800105.8
288S26.9Very low27.2Very low92 Ų92140.9 Ų140.964%0.64377%0.774SS**  96.7148.880.984.40000115.1
289I29.1Very low27.6Very low169 Ų169138 Ų13887%0.86777%0.766SS**  trans82.6147.7165.8-57.2171.1000117.4
290S26.5Very low27.8Very low97 Ų97137.4 Ų137.468%0.67876%0.759SS**  trans-115.4165.1-160.654.60000114.4
291V30.4Very low28.3Very low141 Ų141138.1 Ų138.186%0.85576%0.759SS**  -177.1162.4122.1144.50000110.4
292A25Very low28.6Very low75 Ų75134.6 Ų134.662%0.6276%0.758SS**  trans-78.9-17517900000112.4
293D27.2Very low29Very low153 Ų153131.5 Ų131.582%0.81875%0.75SS**  cis-128.7-174.94.6-87.4-64.5000107.9
294D31.4Very low29Very low154 Ų154132 Ų13282%0.82475%0.749SS**  cis-164.4177.734.6-148.7-27.7000111.7
295Q25.3Very low29Very low172 Ų172133.3 Ų133.380%0.80475%0.747SS**  trans-120.5-166.8-176.7-118.6-169.554.800111.1
296P40Very low29Very low106 Ų106132.7 Ų132.769%0.68875%0.747SS**  cis-133.8-173.8-17.329.3-6.2000115.4
297A29.6Very low29Very low80 Ų80132.8 Ų132.866%0.66175%0.753SS**  121.1121.3124.600000120.8
298Q29.5Very low28.9Very low175 Ų175132.6 Ų132.682%0.81875%0.752SS**  trans70.1150.8142.3-71.9-174.929.100118.8
299L32.2Very low29Very low122 Ų122135 Ų13564%0.63976%0.757SS**  cis-155.2138.515.9-124.5155.5000113
300Q28.3Very low28.9Very low158 Ų158133.5 Ų133.574%0.73875%0.752SS**  trans41.9120.3146.6-87.117715.100125
301K32.8Very low29Very low183 Ų183137.3 Ų137.380%0.79676%0.762SS**  165.3109.4112.3-92.8164.5-173.21760111.5
302S30.2Very low28.8Very low108 Ų108133.6 Ų133.676%0.75575%0.753SS**  64.413291.9720000115.2
303S30.3Very low29.2Very low104 Ų104138.3 Ų138.373%0.72776%0.759SS**  cis-155.5165.12066.10000115.7
304T27.1Very low29.3Very low113 Ų113137.4 Ų137.469%0.69375%0.75SS**  trans0.3144.6150.738.40000120.1
305F28.3Very low29.3Very low198 Ų198142.2 Ų142.287%0.86876%0.757SS**  -141.8161.954.6-105.6-93.7000116.6
306A24.3Very low29.4Very low85 Ų85137.4 Ų137.470%0.70275%0.754SS**  trans-147.3158.2161.900000109.4
307V27.7Very low29Very low143 Ų143139.4 Ų139.487%0.86776%0.759SS**  trans-175.5148.6154.7134.70000109.4
308E25.4Very low28.9Very low156 Ų156144.8 Ų144.873%0.72977%0.767SS**  trans-104.6164.8-176-39.9134.512100112.2
309N28.3Very low28.8Very low142 Ų142141.3 Ų141.376%0.75977%0.768SS**  171.7175.9111.1-96-69.6000115.4
310N26.8Very low28.7Very low139 Ų139143.5 Ų143.574%0.74378%0.78SS**  trans-121.4177.6-164.9-61.3-84.9000114.7
311I28Very low29.4Very low176 Ų176141.2 Ų141.290%0.90378%0.778SS**  trans95129.2151.8-62.4150.3000120.4
312G27.7Very low29.4Very low64 Ų64141.9 Ų141.966%0.6678%0.781SS**  trans136.7105.4156.500000114.5
313K33Very low29.2Very low174 Ų174144.3 Ų144.376%0.75778%0.781SS**  76.6141.375.2-86.3-173.1170-81.90114.6
314E29.4Very low29.1Very low133 Ų133145 Ų14562%0.62178%0.777SS**  cis-170.8-175.8-8.7-158.4160.5-143.900111.1
315W31.3Very low29.1Very low256 Ų256147.3 Ų147.397%0.9778%0.779SS**  trans76.7152.5177.2-44.1-10.3000114.6
316G26.8Very low29Very low71 Ų71143.1 Ų143.173%0.73277%0.769SS**  cis165157.6-5.400000109.3
317N31.8Very low29.3Very low148 Ų148146.2 Ų146.279%0.79177%0.774SS**  cis-160.1-179-2.9-135.8-66.2000112.5
318K27.5Very low29.4Very low192 Ų192144.2 Ų144.284%0.83576%0.762SS**  trans-33.9145.2-180-62.4159.7-174.3-178.60121.8
319A28.8Very low29.7Very low102 Ų102146 Ų14684%0.84377%0.767SS**  179.6160.7119.600000115.3
320L29.4Very low29.8Very low168 Ų168145 Ų14588%0.8877%0.77SS**  trans-140.5177.9173.9-81.2168.7000108.1
321P41.9Very low29.8Very low110 Ų110143.3 Ų143.371%0.71477%0.769SS**  -130-174.5-5140.2-25.5000111.7
322K33.2Very low29.9Very low198 Ų198142.1 Ų142.186%0.86177%0.765SS**  trans-172.9155.7142.9-111.3167.3-175.5-179.40115.3
323E25.4Very low29.8Very low159 Ų159146.8 Ų146.874%0.74378%0.775SS**  trans-80.4174.8172.4-48.4125.7130.900110.8
324N28.4Very low29.7Very low119 Ų119144.3 Ų144.364%0.63677%0.773SS**  cis-177.9155.849.9-118.1-37000112.9
325H29Very low29.7Very low161 Ų161145.4 Ų145.475%0.74578%0.782SS**  trans51.1161153.1-77.2-81.1000121.8
326V25.9Very low29.6Very low109 Ų109138.7 Ų138.766%0.66177%0.765SS**  cis-171.7142-44.2124.50000108.1
327D31Very low29.6Very low150 Ų150144.6 Ų144.680%0.80277%0.771SS**  trans172.9152.8146-98.8-15.5000108.1
328V29.1Very low29.4Very low102 Ų102146.7 Ų146.762%0.61878%0.776SS**  cis170.3139-28.3134.70000104.7
329K30.3Very low29.3Very low193 Ų193146.9 Ų146.984%0.83977%0.771SS**  trans75.7141.7-168.3-52.1167.3-175.8174.50114.2
330C30.5Very low29.3Very low122 Ų122146.9 Ų146.982%0.82476%0.763SS**  cis-109.1155.4-5.7-750000111.7
331S27.1Very low29.4Very low102 Ų102145.9 Ų145.971%0.71376%0.757SS**  trans-115.9116.3172.6530000109.6
332D30.9Very low29Very low152 Ų152146.6 Ų146.681%0.81375%0.754SS**  trans-122.678.4167.2-80.1-54000108.9V334D332-V334 PolarHBondContact O-N 2.85Å; D332-V334 VanDerWaalsContact O-N 3.13Å
333D26.2Very low28.8Very low162 Ų162143.5 Ų143.587%0.86675%0.752SS**  trans-79.480.7173.3-92.5-56000110.5
334V31Very low29.1Very low121 Ų121143.7 Ų143.773%0.73376%0.755SS**  trans-13393.6167-170.10000112D332D332-V334 PolarHBondContact O-N 2.85Å; D332-V334 VanDerWaalsContact O-N 3.13Å
335I27.6Very low29.5Very low156 Ų156147.6 Ų147.680%0.877%0.769SS**  trans41.791.1143-42.5172.7000117.4
336D29.8Very low30.2Very low116 Ų116144.1 Ų144.162%0.6276%0.763SS**  trans-149.268.1131.2-144.5-15.2000111.3R339D336-R339 IonicContact OD1-NE 2.72Å; D336-R339 IonicContact OD2-NE 3.16Å; D336-R339 IonicContact OD2-NH2 2.78Å
337K27.2Very low31.2Very low195 Ų195142.9 Ų142.985%0.84877%0.765SS**  trans-115.8136.1162.8-74.9177-179.2166.70107.2
338Q27.1Very low32.5Very low191 Ų191141.8 Ų141.889%0.89377%0.765SS**  trans77.463.2-174.2-51179.1-7.500116
339R26.8Very low34.5Very low197 Ų197139 Ų13974%0.74375%0.747SS**  trans-92.6125.9132.1-63-171.8-168.2-146.9-0.5108D336 I341D336-R339 IonicContact OD1-NE 2.72Å; D336-R339 IonicContact OD2-NE 3.16Å; D336-R339 IonicContact OD2-NH2 2.78Å; R339-I341 PolarHBondContact O-N 2.85Å
340P27.9Very low36.5Very low102 Ų102133.2 Ų133.266%0.66273%0.725SS**  trans-59.2133.4163.6-18.831.7000108.8D342P340-D342 VanDerWaalsContact C-N 3.28Å; P340-D342 PolarHBondContact O-N 2.76Å; P340-D342 VanDerWaalsContact O-N 3.12Å
341I32.2Very low38.4Very low147 Ų147128 Ų12875%0.75469%0.69SS**  trans-72.199.5152.6-59.5175000103.8R339 T343R339-I341 PolarHBondContact O-N 2.85Å; I341-T343 HydrophobicContact CG2-CG2 4.14Å; I341-T343 PolarHBondContact O-N 3.12Å; I341-T343 PolarHBondContact O-OG1 3.16Å
342D32.5Very low40.3Very low125 Ų125128.5 Ų128.567%0.66868%0.684SS**  trans-67.981.8175.8-88.2-23.9000109.1P340 M344P340-D342 VanDerWaalsContact C-N 3.28Å; P340-D342 PolarHBondContact O-N 2.76Å; P340-D342 VanDerWaalsContact O-N 3.12Å; D342-M344 PolarHBondContact O-N 2.72Å
343T28.4Very low42.2Very low132 Ų132127.2 Ų127.281%0.8168%0.677SS**  trans-7449.8174.917.90000111.9I341I341-T343 HydrophobicContact CG2-CG2 4.14Å; I341-T343 PolarHBondContact O-N 3.12Å; I341-T343 PolarHBondContact O-OG1 3.16Å
344M33.2Very low44.3Very low163 Ų163120.7 Ų120.780%0.80364%0.642SS**  trans-109.8105.4154.1-77.2-157.5159.100109.1D342 S346D342-M344 PolarHBondContact O-N 2.72Å; M344-S346 PolarHBondContact O-N 2.78Å
345Q35.4Very low45.9Very low201 Ų201123.3 Ų123.394%0.93964%0.644SS**  trans-65.774.1149.1-72.6-178.5-25.200107.9A347Q345-A347 PolarHBondContact O-N 2.54Å; Q345-A347 VanDerWaalsContact O-N 3.12Å
346S44.8Very low47.5Very low89 Ų89120 Ų12062%0.62264%0.64SS**PPolyproline II helixtrans-56.5117.4163.453.90000106.8M344M344-S346 PolarHBondContact O-N 2.78Å
347A47.2Very low49.4Very low83 Ų83117.1 Ų117.169%0.68663%0.632SS**PPolyproline II helixtrans-49.7136.917800000109.3Q345 L349Q345-A347 PolarHBondContact O-N 2.54Å; Q345-A347 VanDerWaalsContact O-N 3.12Å; A347-L349 PolarHBondContact O-N 2.79Å; A347-L349 VanDerWaalsContact O-N 3.12Å
348P58.6Low51.8Low126 Ų126108.7 Ų108.782%0.81860%0.599SS**PPolyproline II helixtrans-51.3123.7-170.119.9-32.8000109.8N350P348-N350 PolarHBondContact O-N 3.16Å
349L70Confident54.6Low43 Ų43102.1 Ų102.123%0.22557%0.572CS.*  trans-59.7108.4-165.9-172.375.6000109.4A347 P351 L354 I360 W423 T429 I431A347-L349 PolarHBondContact O-N 2.79Å; A347-L349 VanDerWaalsContact O-N 3.12Å; L349-P351 VanDerWaalsContact O-CD 3.31Å; L349-P351 WeakPolarHBondContact O-CD 3.2Å; L349-L354 HydrophobicContact CD2-CD2 3.91Å; L349-I360 HydrophobicContact CD2-CG2 4.37Å; L349-W423 HydrophobicContact CB-CZ2 4.32Å; L349-W423 HydrophobicContact CD2-CH2 4.21Å; L349-W423 HydrophobicContact CD2-CZ2 4.36Å; L349-W423 VanDerWaalsContact O-CZ2 3.24Å; L349-W423 WeakPolarHBondContact O-CZ2 3.44Å; L349-T429 VanDerWaalsContact CB-O 3.31Å; L349-T429 WeakPolarHBondContact CB-O 3.48Å; L349-T429 HydrophobicContact CD2-CG2 4.24Å; L349-I431 HydrophobicContact CD1-CD1 4.3Å; L349-I431 HydrophobicContact CD1-CG1 4.08Å; L349-I431 HydrophobicContact CD2-CG1 4.06Å
350N72Confident57.5Low72 Ų7292.7 Ų92.739%0.38554%0.536SS..  trans-69.6117.5-177.4-177.9-13.7000109P348 L352 N353P348-N350 PolarHBondContact O-N 3.16Å; N350-L352 PolarHBondContact O-N 3.02Å; N350-L352 WeakPolarHBondContact OD1-CB 3.37Å; N350-L352 PolarHBondContact OD1-N 3.21Å; N350-N353 WeakPolarHBondContact O-CB 3.22Å; N350-N353 PolarHBondContact O-N 2.78Å
351P70.1Confident60.4Low14 Ų1489.9 Ų89.99%0.09151%0.514CS..G310 helixtrans-66.4-20.7-175.227.1-35.3000113.2L349 N353 L354 Y386 W423L349-P351 VanDerWaalsContact O-CD 3.31Å; L349-P351 WeakPolarHBondContact O-CD 3.2Å; P351-N353 PolarHBondContact O-N 3.09Å; P351-L354 HydrophobicContact CB-CD1 3.89Å; P351-L354 WeakPolarHBondContact O-CB 3.46Å; P351-L354 PolarHBondContact O-N 3.44Å; P351-Y386 HydrophobicContact CB-CD1 3.71Å; P351-Y386 HydrophobicContact CB-CD2 3.79Å; P351-Y386 HydrophobicContact CB-CE1 3.71Å; P351-Y386 HydrophobicContact CB-CE2 3.8Å; P351-Y386 HydrophobicContact CB-CG 3.76Å; P351-Y386 HydrophobicContact CG-CD1 4.13Å; P351-Y386 HydrophobicContact CG-CD2 4.25Å; P351-Y386 HydrophobicContact CG-CE1 3.57Å; P351-Y386 HydrophobicContact CG-CE2 3.72Å; P351-Y386 HydrophobicContact CG-CG 4.44Å; P351-W423 HydrophobicContact CB-CD2 3.69Å; P351-W423 HydrophobicContact CB-CE3 3.93Å; P351-W423 HydrophobicContact CB-CG 4.14Å; P351-W423 HydrophobicContact CB-CH2 4.31Å; P351-W423 HydrophobicContact CB-CZ2 4.09Å; P351-W423 HydrophobicContact CB-CZ3 4.24Å; P351-W423 HydrophobicContact CG-CD2 3.97Å; P351-W423 HydrophobicContact CG-CG 3.93Å
352L66.8Low63Low111 Ų11182.9 Ų82.958%0.58148%0.478SS*.G310 helixtrans-64.1-21.6170.6-66.7168.2000113.4N350 Y386 P388N350-L352 PolarHBondContact O-N 3.02Å; N350-L352 WeakPolarHBondContact OD1-CB 3.37Å; N350-L352 PolarHBondContact OD1-N 3.21Å; L352-Y386 HydrophobicContact CD2-CD1 4.49Å; L352-Y386 HydrophobicContact CD2-CE1 4.08Å; L352-Y386 HydrophobicContact CG-CE1 4.23Å; L352-P388 HydrophobicContact CD2-CB 3.75Å; L352-P388 HydrophobicContact CD2-CG 4.02Å
353N71.8Confident65.3Low126 Ų12678.7 Ų78.767%0.67445%0.454SS*.G310 helixtrans-93.60.4179.6-65.7-14.7000112.8N350 P351 K355N350-N353 WeakPolarHBondContact O-CB 3.22Å; N350-N353 PolarHBondContact O-N 2.78Å; P351-N353 PolarHBondContact O-N 3.09Å; N353-K355 PolarHBondContact O-N 3.21Å
354L69.7Low67.6Low25 Ų2572.4 Ų72.413%0.13142%0.416CS..PPolyproline II helixtrans-70.1124.8175.2-68.2163.9000109.9L349 P351 I360 V383 W423L349-L354 HydrophobicContact CD2-CD2 3.91Å; P351-L354 HydrophobicContact CB-CD1 3.89Å; P351-L354 WeakPolarHBondContact O-CB 3.46Å; P351-L354 PolarHBondContact O-N 3.44Å; L354-I360 HydrophobicContact CD2-CG2 3.78Å; L354-V383 HydrophobicContact CD1-CG1 4.14Å; L354-V383 HydrophobicContact CD1-CG2 4.14Å; L354-V383 HydrophobicContact CD2-CG2 4.49Å; L354-W423 HydrophobicContact CD1-CE3 4.49Å; L354-W423 HydrophobicContact CD1-CH2 3.64Å; L354-W423 HydrophobicContact CD1-CZ3 3.62Å
355K64.9Low69.4Low175 Ų17567.9 Ų67.976%0.76139%0.393SS*.PPolyproline II helixtrans-68.7143.7165.8-64.4-179.2-179.3178.30108.7N353 A357 A358N353-K355 PolarHBondContact O-N 3.21Å; K355-A357 PolarHBondContact O-N 2.7Å; K355-A358 WeakPolarHBondContact O-CB 3.48Å; K355-A358 PolarHBondContact O-N 3.49Å; K355-A358 VanDerWaalsContact O-N 3.08Å
356A60.5Low70.9Confident88 Ų8858.7 Ų58.773%0.72735%0.35SS*.THydrogen-bonded Turntrans-54.314117100000110.4A358A356-A358 PolarHBondContact O-N 3.49Å
357A70.7Confident71.4Confident55 Ų5557 Ų5746%0.45533%0.334SS..THydrogen-bonded Turntrans62.715.3-174.900000115.7K355 Q382 V383K355-A357 PolarHBondContact O-N 2.7Å; A357-Q382 HydrophobicContact CB-CG 4.36Å; A357-Q382 PolarHBondContact O-NE2 3.43Å; A357-V383 VanDerWaalsContact CA-O 3.23Å; A357-V383 WeakPolarHBondContact CA-O 3.49Å; A357-V383 PolarHBondContact N-O 3.16Å
358A78.2Confident72.2Confident18 Ų1855.3 Ų55.315%0.14931%0.313CS..  trans-67.2131.8172.600000111.9K355 A356 V383K355-A358 WeakPolarHBondContact O-CB 3.48Å; K355-A358 PolarHBondContact O-N 3.49Å; K355-A358 VanDerWaalsContact O-N 3.08Å; A356-A358 PolarHBondContact O-N 3.49Å; A358-V383 WeakPolarHBondContact O-CB 3.43Å; A358-V383 PolarHBondContact O-N 3.19Å
359T86Confident72.5Confident52 Ų5255 Ų5532%0.31931%0.305SS..EExtended strand (participates in β ladder)trans-80.4129.7172.2-49.30000110Q380 A381 A432T359-Q380 HydrophobicContact CG2-CG 3.5Å; T359-A381 CarbonylContact C-O 3.58Å; T359-A381 WeakPolarHBondContact CA-O 3.31Å; T359-A432 HydrophobicContact CG2-CB 3.75Å; T359-A432 PolarHBondContact O-N 2.76Å
360I86.4Confident72.3Confident0 Ų060.2 Ų60.20%033%0.328CS..EExtended strand (participates in β ladder)trans-117.9152.517659.6165.3000111L349 L354 F362 Q380 A381 V383 L395 W423 L426 T429 R430L349-I360 HydrophobicContact CD2-CG2 4.37Å; L354-I360 HydrophobicContact CD2-CG2 3.78Å; I360-F362 HydrophobicContact CD1-CD1 3.92Å; I360-F362 HydrophobicContact CD1-CE1 4.34Å; I360-F362 HydrophobicContact CG1-CD1 4.05Å; I360-F362 HydrophobicContact CG1-CE1 4.36Å; I360-Q380 VanDerWaalsContact O-CA 3.3Å; I360-Q380 WeakPolarHBondContact O-CA 3.34Å; I360-Q380 WeakPolarHBondContact O-CG 3.26Å; I360-A381 PolarHBondContact N-O 2.86Å; I360-A381 PolarHBondContact O-N 2.69Å; I360-V383 HydrophobicContact CB-CG2 4.46Å; I360-V383 HydrophobicContact CD1-CG2 3.79Å; I360-V383 HydrophobicContact CG1-CG2 3.81Å; I360-V383 HydrophobicContact CG2-CG2 3.83Å; I360-L395 HydrophobicContact CD1-CD2 3.91Å; I360-L395 HydrophobicContact CG1-CD2 4.46Å; I360-W423 HydrophobicContact CD1-CH2 4.28Å; I360-W423 HydrophobicContact CD1-CZ3 4Å; I360-L426 HydrophobicContact CD1-CD1 4.18Å; I360-T429 HydrophobicContact CB-CG2 4.29Å; I360-T429 HydrophobicContact CD1-CG2 3.8Å; I360-R430 CarbonylContact C-O 3.51Å; I360-R430 VanDerWaalsContact CA-O 3.26Å; I360-R430 WeakPolarHBondContact CA-O 3.41Å; I360-R430 WeakPolarHBondContact CB-O 3.09Å
361Q89.1Confident71.4Confident42 Ų4262.5 Ų62.520%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-111.7140.1164.7-72.9178.6-1.800109.6W378 K379 Q380 T429 R430 A432Q361-W378 HydrophobicContact CB-CE3 3.98Å; Q361-W378 HydrophobicContact CB-CZ3 4.2Å; Q361-K379 CarbonylContact C-O 3.48Å; Q361-K379 VanDerWaalsContact CA-O 3.25Å; Q361-K379 WeakPolarHBondContact CA-O 3.37Å; Q361-Q380 HydrophobicContact CG-CB 4.16Å; Q361-Q380 HydrophobicContact CG-CG 4.05Å; Q361-T429 WeakPolarHBondContact O-CA 3.43Å; Q361-R430 HydrophobicContact CB-CG 3.97Å; Q361-R430 PolarHBondContact N-O 2.81Å; Q361-R430 PolarHBondContact O-N 2.92Å; Q361-R430 VanDerWaalsContact OE1-NE 3.09Å; Q361-A432 HydrophobicContact CG-CB 4.1Å
362F86.3Confident70.6Confident0 Ų068.5 Ų68.50%037%0.366CS..EExtended strand (participates in β ladder)trans-152.3170.1-17856.8-85.3000110.8I360 V364 K379 A381 L395 F398 L426 T429I360-F362 HydrophobicContact CD1-CD1 3.92Å; I360-F362 HydrophobicContact CD1-CE1 4.34Å; I360-F362 HydrophobicContact CG1-CD1 4.05Å; I360-F362 HydrophobicContact CG1-CE1 4.36Å; F362-V364 HydrophobicContact CD2-CB 4.47Å; F362-V364 HydrophobicContact CE2-CG1 4.45Å; F362-K379 HydrophobicContact CD2-CB 4.25Å; F362-K379 HydrophobicContact CE1-CB 4.35Å; F362-K379 HydrophobicContact CE2-CB 3.78Å; F362-K379 HydrophobicContact CZ-CB 3.83Å; F362-K379 PolarHBondContact N-O 3.24Å; F362-K379 PolarHBondContact O-N 3.37Å; F362-A381 HydrophobicContact CE1-CB 3.76Å; F362-A381 HydrophobicContact CZ-CB 4.24Å; F362-L395 HydrophobicContact CE1-CD1 3.93Å; F362-L395 HydrophobicContact CZ-CD1 3.79Å; F362-F398 HydrophobicContact CE2-CD1 4.46Å; F362-F398 HydrophobicContact CE2-CD2 4.26Å; F362-F398 HydrophobicContact CE2-CE1 4.35Å; F362-F398 HydrophobicContact CE2-CE2 4.16Å; F362-F398 HydrophobicContact CE2-CG 4.41Å; F362-F398 HydrophobicContact CE2-CZ 4.19Å; F362-F398 HydrophobicContact CZ-CB 4.23Å; F362-F398 HydrophobicContact CZ-CD1 4.01Å; F362-F398 AromaticContact CZ-CD2 3.96Å; F362-F398 HydrophobicContact CZ-CD2 3.96Å; F362-F398 HydrophobicContact CZ-CE1 4.35Å; F362-F398 HydrophobicContact CZ-CE2 4.32Å; F362-F398 AromaticContact CZ-CG 3.8Å; F362-F398 HydrophobicContact CZ-CG 3.8Å; F362-F398 HydrophobicContact CZ-CZ 4.49Å; F362-L426 HydrophobicContact CB-CB 4.32Å; F362-L426 HydrophobicContact CD2-CD2 3.68Å; F362-L426 HydrophobicContact CE2-CD2 3.9Å; F362-L426 HydrophobicContact CG-CD2 4.18Å; F362-T429 HydrophobicContact CB-CG2 4.21Å
363K82.1Confident70.6Confident37 Ų3767 Ų6716%0.16137%0.365CS..EExtended strand (participates in β ladder)trans-116.5156.9160.1-67.5174.3158.5-87.80108.3M375 S376 W378 H427 Y428K363-M375 HydrophobicContact CB-CG 4.02Å; K363-M375 HydrophobicContact CB-SD 3.66Å; K363-M375 HydrophobicContact CD-CG 4Å; K363-S376 WeakPolarHBondContact CD-O 3.26Å; K363-S376 VanDerWaalsContact CG-O 3.31Å; K363-S376 WeakPolarHBondContact CG-O 3.27Å; K363-S376 PolarHBondContact NZ-O 3.3Å; K363-W378 HydrophobicContact CG-CD2 4.18Å; K363-W378 HydrophobicContact CG-CE3 4.25Å; K363-W378 HydrophobicContact CG-CG 4.5Å; K363-H427 HydrophobicContact CB-CB 4.48Å; K363-H427 PolarHBondContact N-O 2.92Å; K363-H427 PolarHBondContact O-N 3.41Å; K363-Y428 HydrophobicContact CB-CD2 4.37Å; K363-Y428 HydrophobicContact CD-CD2 4.07Å
364V76Confident70.5Confident1 Ų165.9 Ų65.91%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-136.4151.1177.957.80000108.7F362 E366 S376 K379 F398 I421F362-V364 HydrophobicContact CD2-CB 4.47Å; F362-V364 HydrophobicContact CE2-CG1 4.45Å; V364-E366 HydrophobicContact CG1-CG 3.92Å; V364-E366 PolarHBondContact O-N 3.11Å; V364-S376 PolarHBondContact N-OG 3.32Å; V364-S376 VanDerWaalsContact O-CB 3.27Å; V364-S376 WeakPolarHBondContact O-CB 3.32Å; V364-S376 PolarHBondContact O-N 2.87Å; V364-S376 PolarHBondContact O-OG 3.01Å; V364-K379 HydrophobicContact CG1-CD 4.22Å; V364-F398 HydrophobicContact CG1-CE2 4.41Å; V364-F398 HydrophobicContact CG1-CZ 4.24Å; V364-I421 HydrophobicContact CG2-CD1 4.04Å
365M71.7Confident71Confident67 Ų6767.9 Ų67.933%0.3336%0.362SS..EExtended strand (participates in β ladder)trans-71.9123.8169.8-71.6-58.8-5600109.2Y374 M375M365-Y374 WeakPolarHBondContact CE-O 3.04Å; M365-M375 HydrophobicContact CG-CE 4.35Å; M365-M375 HydrophobicContact SD-CB 4.24Å; M365-M375 HydrophobicContact SD-CE 3.57Å; M365-M375 VanDerWaalsContact SD-CE 3.57Å; M365-M375 HydrophobicContact SD-SD 4.17Å
366E65.8Low71.5Confident9 Ų959.6 Ų59.64%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-121.5165.7174.3-62.3-168.4128.700109.8V364 S373 Y374 S376 K379 R401V364-E366 HydrophobicContact CG1-CG 3.92Å; V364-E366 PolarHBondContact O-N 3.11Å; E366-S373 WeakPolarHBondContact O-CA 3.07Å; E366-Y374 HydrophobicContact CB-CE1 4Å; E366-Y374 PolarHBondContact N-O 2.93Å; E366-Y374 PolarHBondContact O-N 3.12Å; E366-S376 WeakPolarHBondContact OE2-CB 3.33Å; E366-K379 IonicContact OE1-NZ 3.2Å; E366-K379 PolarHBondContact OE1-NZ 2.66Å; E366-K379 WeakPolarHBondContact OE2-CE 3.32Å; E366-K379 IonicContact OE2-NZ 3.86Å; E366-K379 PolarHBondContact OE2-NZ 3.29Å; E366-R401 PolarHBondContact OE1-N 3.04Å
367L55.1Low72.6Confident53 Ų5361.8 Ų61.828%0.27733%0.326SS..EExtended strand (participates in β ladder)trans-109.1139.1175.2-65.2171.1000107.8E372 P403L367-E372 WeakPolarHBondContact CA-O 3.5Å; L367-P403 HydrophobicContact CB-CG 3.54Å; L367-P403 HydrophobicContact CD1-CG 4.32Å
368D63.7Low73.4Confident47 Ų4764.5 Ų64.525%0.25132%0.324SS..  trans-84.7-176.8174.773-0.8000112.2H370 L371 E372 Y374D368-H370 PolarHBondContact O-N 3.38Å; D368-H370 VanDerWaalsContact OD1-C 3.3Å; D368-H370 VanDerWaalsContact OD1-CA 3.28Å; D368-H370 WeakPolarHBondContact OD1-CA 3.23Å; D368-H370 WeakPolarHBondContact OD1-CB 3.41Å; D368-H370 PolarHBondContact OD1-N 3.03Å; D368-L371 PolarHBondContact O-N 3.41Å; D368-L371 PolarHBondContact OD1-N 3.18Å; D368-E372 PolarHBondContact N-O 3.25Å; D368-E372 PolarHBondContact OD1-N 2.93Å; D368-Y374 HydrophobicContact CB-CD1 3.99Å; D368-Y374 HydrophobicContact CB-CE1 3.87Å
369D64.6Low73.7Confident121 Ų12165.9 Ų65.965%0.64733%0.327SS*.THydrogen-bonded Turntrans-64.4-3.7177.1-55.50.7000112.9
370H65.9Low73.8Confident152 Ų15268.4 Ų68.470%0.70434%0.335SS*.THydrogen-bonded Turntrans-113.11.5176.7-58.3-17.7000112.5D368 E372D368-H370 PolarHBondContact O-N 3.38Å; D368-H370 VanDerWaalsContact OD1-C 3.3Å; D368-H370 VanDerWaalsContact OD1-CA 3.28Å; D368-H370 WeakPolarHBondContact OD1-CA 3.23Å; D368-H370 WeakPolarHBondContact OD1-CB 3.41Å; D368-H370 PolarHBondContact OD1-N 3.03Å; H370-E372 HydrophobicContact CB-CG 4.46Å; H370-E372 PolarHBondContact O-N 3.5Å
371L54.9Low73.6Confident119 Ų11968.6 Ų68.662%0.62334%0.336SS*.SBendtrans63.522.3-172.9-47.6178.2000113.8D368 P403D368-L371 PolarHBondContact O-N 3.41Å; D368-L371 PolarHBondContact OD1-N 3.18Å; L371-P403 HydrophobicContact CD2-CB 3.7Å; L371-P403 HydrophobicContact CD2-CG 3.73Å
372E53.5Low73.4Confident140 Ų14070 Ų7065%0.65434%0.343SS*.  trans-83.3139.5168.5-61.4-159.7175.300110.2L367 D368 H370L367-E372 WeakPolarHBondContact CA-O 3.5Å; D368-E372 PolarHBondContact N-O 3.25Å; D368-E372 PolarHBondContact OD1-N 2.93Å; H370-E372 HydrophobicContact CB-CG 4.46Å; H370-E372 PolarHBondContact O-N 3.5Å
373S65.9Low73.1Confident81 Ų8170.1 Ų70.157%0.56634%0.344SS*.EExtended strand (participates in β ladder)trans-89120-173.163.80000112E366E366-S373 WeakPolarHBondContact O-CA 3.07Å
374Y70.3Confident72.9Confident101 Ų10171.3 Ų71.340%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-124.3156.5178.473.4-81.8000112.2M365 E366 D368M365-Y374 WeakPolarHBondContact CE-O 3.04Å; E366-Y374 HydrophobicContact CB-CE1 4Å; E366-Y374 PolarHBondContact N-O 2.93Å; E366-Y374 PolarHBondContact O-N 3.12Å; D368-Y374 HydrophobicContact CB-CD1 3.99Å; D368-Y374 HydrophobicContact CB-CE1 3.87Å
375M78.5Confident73Confident68 Ų6877 Ų7734%0.33538%0.379SS..EExtended strand (participates in β ladder)trans-84.7117.6174.6-17667.266.300109K363 M365 H427 Y428K363-M375 HydrophobicContact CB-CG 4.02Å; K363-M375 HydrophobicContact CB-SD 3.66Å; K363-M375 HydrophobicContact CD-CG 4Å; M365-M375 HydrophobicContact CG-CE 4.35Å; M365-M375 HydrophobicContact SD-CB 4.24Å; M365-M375 HydrophobicContact SD-CE 3.57Å; M365-M375 VanDerWaalsContact SD-CE 3.57Å; M365-M375 HydrophobicContact SD-SD 4.17Å; M375-H427 HydrophobicContact CE-CB 4Å; M375-H427 HydrophobicContact SD-CB 3.85Å; M375-Y428 HydrophobicContact CE-CE2 4.27Å; M375-Y428 HydrophobicContact SD-CE2 4.43Å
376S77.1Confident73.1Confident1 Ų175.5 Ų75.51%0.00737%0.37CS..PPolyproline II helixtrans-56.8162.6-175.3800000113K363 V364 E366K363-S376 WeakPolarHBondContact CD-O 3.26Å; K363-S376 VanDerWaalsContact CG-O 3.31Å; K363-S376 WeakPolarHBondContact CG-O 3.27Å; K363-S376 PolarHBondContact NZ-O 3.3Å; V364-S376 PolarHBondContact N-OG 3.32Å; V364-S376 VanDerWaalsContact O-CB 3.27Å; V364-S376 WeakPolarHBondContact O-CB 3.32Å; V364-S376 PolarHBondContact O-N 2.87Å; V364-S376 PolarHBondContact O-OG 3.01Å; E366-S376 WeakPolarHBondContact OE2-CB 3.33Å
377D83.9Confident73.2Confident134 Ų13476.1 Ų76.172%0.71737%0.373SS*.PPolyproline II helixtrans-61.6168.7159.9-92.5-41.1000112.7K379D377-K379 WeakPolarHBondContact O-CG 3.39Å; D377-K379 PolarHBondContact O-N 2.65Å; D377-K379 VanDerWaalsContact O-N 3.13Å
378W85.7Confident73.8Confident111 Ų11177.4 Ų77.442%0.4239%0.385SS..  trans-63.5113.1179.3-78.9107.3000110.8Q361 K363 Y428 R430Q361-W378 HydrophobicContact CB-CE3 3.98Å; Q361-W378 HydrophobicContact CB-CZ3 4.2Å; K363-W378 HydrophobicContact CG-CD2 4.18Å; K363-W378 HydrophobicContact CG-CE3 4.25Å; K363-W378 HydrophobicContact CG-CG 4.5Å; W378-Y428 WeakPolarHBondContact CH2-O 3.49Å; W378-Y428 WeakPolarHBondContact CZ3-O 3.47Å; W378-R430 HydrophobicContact CZ3-CG 4.29Å
379K84.3Confident73.8Confident47 Ų4783.4 Ų83.420%0.20441%0.409CS..EExtended strand (participates in β ladder)trans-97.3153.2173.4-54.4-161179.9-161.90109.7Q361 F362 V364 E366 D377 F398Q361-K379 CarbonylContact C-O 3.48Å; Q361-K379 VanDerWaalsContact CA-O 3.25Å; Q361-K379 WeakPolarHBondContact CA-O 3.37Å; F362-K379 HydrophobicContact CD2-CB 4.25Å; F362-K379 HydrophobicContact CE1-CB 4.35Å; F362-K379 HydrophobicContact CE2-CB 3.78Å; F362-K379 HydrophobicContact CZ-CB 3.83Å; F362-K379 PolarHBondContact N-O 3.24Å; F362-K379 PolarHBondContact O-N 3.37Å; V364-K379 HydrophobicContact CG1-CD 4.22Å; E366-K379 IonicContact OE1-NZ 3.2Å; E366-K379 PolarHBondContact OE1-NZ 2.66Å; E366-K379 WeakPolarHBondContact OE2-CE 3.32Å; E366-K379 IonicContact OE2-NZ 3.86Å; E366-K379 PolarHBondContact OE2-NZ 3.29Å; D377-K379 WeakPolarHBondContact O-CG 3.39Å; D377-K379 PolarHBondContact O-N 2.65Å; D377-K379 VanDerWaalsContact O-N 3.13Å; K379-F398 HydrophobicContact CD-CD2 3.8Å; K379-F398 HydrophobicContact CD-CE2 3.51Å
380Q88Confident73.8Confident106 Ų10680.8 Ų80.850%0.49540%0.397SS..EExtended strand (participates in β ladder)trans-130132.5179.3-172.7169.8-76.700109.4T359 I360 Q361T359-Q380 HydrophobicContact CG2-CG 3.5Å; I360-Q380 VanDerWaalsContact O-CA 3.3Å; I360-Q380 WeakPolarHBondContact O-CA 3.34Å; I360-Q380 WeakPolarHBondContact O-CG 3.26Å; Q361-Q380 HydrophobicContact CG-CB 4.16Å; Q361-Q380 HydrophobicContact CG-CG 4.05Å
381A84.2Confident74.2Confident4 Ų476 Ų763%0.03338%0.376CS..EExtended strand (participates in β ladder)trans-147160.4179.300000111.5T359 I360 F362 L395 F398T359-A381 CarbonylContact C-O 3.58Å; T359-A381 WeakPolarHBondContact CA-O 3.31Å; I360-A381 PolarHBondContact N-O 2.86Å; I360-A381 PolarHBondContact O-N 2.69Å; F362-A381 HydrophobicContact CE1-CB 3.76Å; F362-A381 HydrophobicContact CZ-CB 4.24Å; A381-L395 HydrophobicContact CB-CB 3.93Å; A381-L395 HydrophobicContact CB-CD1 4.22Å; A381-L395 HydrophobicContact CB-CD2 4.32Å; A381-L395 HydrophobicContact CB-CG 4.39Å; A381-F398 HydrophobicContact CB-CB 3.7Å
382Q83.4Confident75Confident70 Ų7072.9 Ų72.933%0.32736%0.359SS..EExtended strand (participates in β ladder)trans-94.4125.8173.2-179.6167.86500110.8A357 V384 L395 K396A357-Q382 HydrophobicContact CB-CG 4.36Å; A357-Q382 PolarHBondContact O-NE2 3.43Å; Q382-V384 PolarHBondContact O-N 3.23Å; Q382-L395 WeakPolarHBondContact O-CA 3.05Å; Q382-K396 HydrophobicContact CB-CB 4.37Å; Q382-K396 PolarHBondContact N-O 2.91Å; Q382-K396 PolarHBondContact O-N 3.26Å
383V80.8Confident75.9Confident4 Ų466.2 Ų66.22%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-74.5111.4174.91780000109.2L354 A357 A358 I360 V393 L395L354-V383 HydrophobicContact CD1-CG1 4.14Å; L354-V383 HydrophobicContact CD1-CG2 4.14Å; L354-V383 HydrophobicContact CD2-CG2 4.49Å; A357-V383 VanDerWaalsContact CA-O 3.23Å; A357-V383 WeakPolarHBondContact CA-O 3.49Å; A357-V383 PolarHBondContact N-O 3.16Å; A358-V383 WeakPolarHBondContact O-CB 3.43Å; A358-V383 PolarHBondContact O-N 3.19Å; I360-V383 HydrophobicContact CB-CG2 4.46Å; I360-V383 HydrophobicContact CD1-CG2 3.79Å; I360-V383 HydrophobicContact CG1-CG2 3.81Å; I360-V383 HydrophobicContact CG2-CG2 3.83Å; V383-V393 HydrophobicContact CG1-CG2 3.79Å; V383-V393 HydrophobicContact CG2-CG2 4.27Å; V383-L395 HydrophobicContact CG2-CD2 3.97Å
384V77.6Confident76.4Confident61 Ų6165 Ų6537%0.3731%0.314SS..EExtended strand (participates in β ladder)trans-83.5-45.8175.2-179.50000110.1Q382 M394 K396 L418Q382-V384 PolarHBondContact O-N 3.23Å; V384-M394 HydrophobicContact CB-CB 4.42Å; V384-M394 HydrophobicContact CB-CG 4.21Å; V384-M394 HydrophobicContact CB-SD 4.41Å; V384-M394 HydrophobicContact CG1-SD 4.22Å; V384-M394 PolarHBondContact N-O 2.86Å; V384-K396 HydrophobicContact CG2-CB 3.63Å; V384-L418 HydrophobicContact CG2-CD2 3.79Å
385F78.3Confident76.6Confident120 Ų12060.2 Ų60.253%0.52630%0.295SS..EExtended strand (participates in β ladder)trans-156.2151.7-178-178.3-114.4000111N387 V393 M394F385-N387 HydrophobicContact CE1-CB 3.82Å; F385-V393 WeakPolarHBondContact O-CA 3.27Å; F385-V393 WeakPolarHBondContact O-CG2 3.41Å; F385-M394 HydrophobicContact CB-CB 4.32Å; F385-M394 PolarHBondContact O-N 3.43Å
386Y73.1Confident76.6Confident36 Ų3659.7 Ų59.714%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-128.4133.7168.5167.5-110.1000109.5P351 L352 P388 D391 E392 V393 W423P351-Y386 HydrophobicContact CB-CD1 3.71Å; P351-Y386 HydrophobicContact CB-CD2 3.79Å; P351-Y386 HydrophobicContact CB-CE1 3.71Å; P351-Y386 HydrophobicContact CB-CE2 3.8Å; P351-Y386 HydrophobicContact CB-CG 3.76Å; P351-Y386 HydrophobicContact CG-CD1 4.13Å; P351-Y386 HydrophobicContact CG-CD2 4.25Å; P351-Y386 HydrophobicContact CG-CE1 3.57Å; P351-Y386 HydrophobicContact CG-CE2 3.72Å; P351-Y386 HydrophobicContact CG-CG 4.44Å; L352-Y386 HydrophobicContact CD2-CD1 4.49Å; L352-Y386 HydrophobicContact CD2-CE1 4.08Å; L352-Y386 HydrophobicContact CG-CE1 4.23Å; Y386-P388 HydrophobicContact CD1-CB 4.49Å; Y386-P388 HydrophobicContact CE1-CB 3.77Å; Y386-P388 HydrophobicContact CE1-CG 4.45Å; Y386-P388 VanDerWaalsContact O-CD 3.29Å; Y386-P388 WeakPolarHBondContact O-CD 3.37Å; Y386-D391 PolarHBondContact OH-OD1 2.8Å; Y386-E392 WeakPolarHBondContact CA-O 3.5Å; Y386-E392 VanDerWaalsContact CD2-O 3.27Å; Y386-E392 WeakPolarHBondContact CD2-O 3.4Å; Y386-V393 HydrophobicContact CD2-CB 4.22Å; Y386-W423 HydrophobicContact CE2-CB 4.15Å
387N69.3Low76.4Confident23 Ų2362.5 Ų62.512%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-106.296.6-179-174.410.5000111.5F385 K389 T390 D391 E392F385-N387 HydrophobicContact CE1-CB 3.82Å; N387-K389 PolarHBondContact O-N 3.35Å; N387-K389 PolarHBondContact OD1-N 3Å; N387-T390 WeakPolarHBondContact CB-OG1 3.21Å; N387-T390 PolarHBondContact ND2-OG1 3.42Å; N387-T390 PolarHBondContact O-N 2.95Å; N387-D391 PolarHBondContact O-N 2.85Å; N387-E392 PolarHBondContact N-O 2.73Å
388P67Low75.8Confident79 Ų7956.6 Ų56.651%0.51329%0.288SS..THydrogen-bonded Turntrans-67-2.6179.627.7-35.7000114.9L352 Y386L352-P388 HydrophobicContact CD2-CB 3.75Å; L352-P388 HydrophobicContact CD2-CG 4.02Å; Y386-P388 HydrophobicContact CD1-CB 4.49Å; Y386-P388 HydrophobicContact CE1-CB 3.77Å; Y386-P388 HydrophobicContact CE1-CG 4.45Å; Y386-P388 VanDerWaalsContact O-CD 3.29Å; Y386-P388 WeakPolarHBondContact O-CD 3.37Å
389K64.2Low74.6Confident174 Ų17454.9 Ų54.976%0.75729%0.293SS*.THydrogen-bonded Turntrans-87.1-20.6170.9-66.3-171.1177.4-174.10113.9N387N387-K389 PolarHBondContact O-N 3.35Å; N387-K389 PolarHBondContact OD1-N 3Å
390T64.1Low73.2Confident65 Ų6555.3 Ų55.340%0.39930%0.296SS..THydrogen-bonded Turntrans-125.5-1.7-177.1560000113.7N387 E392N387-T390 WeakPolarHBondContact CB-OG1 3.21Å; N387-T390 PolarHBondContact ND2-OG1 3.42Å; N387-T390 PolarHBondContact O-N 2.95Å; T390-E392 WeakPolarHBondContact CB-OE2 3.5Å; T390-E392 PolarHBondContact O-N 3.14Å; T390-E392 WeakPolarHBondContact OG1-CG 3.27Å; T390-E392 PolarHBondContact OG1-OE2 2.82Å
391D73.1Confident71.2Confident51 Ų5158.9 Ų58.927%0.27331%0.305SS..THydrogen-bonded Turntrans61.214.5-170.5-164.256.5000113.4Y386 N387 P422 W423 S424Y386-D391 PolarHBondContact OH-OD1 2.8Å; N387-D391 PolarHBondContact O-N 2.85Å; D391-P422 CarbonylContact O-C 3.54Å; D391-W423 VanDerWaalsContact O-CB 3.29Å; D391-W423 WeakPolarHBondContact O-CB 3.4Å; D391-W423 PolarHBondContact O-N 3.46Å; D391-S424 VanDerWaalsContact OD2-CB 3.32Å; D391-S424 WeakPolarHBondContact OD2-CB 3.41Å; D391-S424 PolarHBondContact OD2-N 2.99Å; D391-S424 VanDerWaalsContact OD2-N 3.08Å; D391-S424 PolarHBondContact OD2-OG 3.3Å
392E73.5Confident69.1Low54 Ų5461.9 Ų61.925%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-88.8138.1-177.9-64.1168.3122.200112.8Y386 N387 T390 L420Y386-E392 WeakPolarHBondContact CA-O 3.5Å; Y386-E392 VanDerWaalsContact CD2-O 3.27Å; Y386-E392 WeakPolarHBondContact CD2-O 3.4Å; N387-E392 PolarHBondContact N-O 2.73Å; T390-E392 WeakPolarHBondContact CB-OE2 3.5Å; T390-E392 PolarHBondContact O-N 3.14Å; T390-E392 WeakPolarHBondContact OG1-CG 3.27Å; T390-E392 PolarHBondContact OG1-OE2 2.82Å; E392-L420 HydrophobicContact CB-CD1 3.97Å; E392-L420 HydrophobicContact CB-CG 4.12Å; E392-L420 HydrophobicContact CG-CG 4.45Å; E392-L420 VanDerWaalsContact OE1-CD2 3.27Å; E392-L420 WeakPolarHBondContact OE1-CD2 3.38Å
393V72.2Confident66.7Low0 Ų060.2 Ų60.20%032%0.318CS..EExtended strand (participates in β ladder)trans-113.3137.9168.367.40000110.8V383 F385 Y386 L395 L420 I421 W423 L426V383-V393 HydrophobicContact CG1-CG2 3.79Å; V383-V393 HydrophobicContact CG2-CG2 4.27Å; F385-V393 WeakPolarHBondContact O-CA 3.27Å; F385-V393 WeakPolarHBondContact O-CG2 3.41Å; Y386-V393 HydrophobicContact CD2-CB 4.22Å; V393-L395 HydrophobicContact CG1-CD1 4.41Å; V393-L395 HydrophobicContact CG1-CD2 3.99Å; V393-L395 HydrophobicContact CG1-CG 4.05Å; V393-L395 HydrophobicContact CG2-CD2 3.75Å; V393-L395 HydrophobicContact CG2-CG 4.47Å; V393-L420 WeakPolarHBondContact O-CA 3.28Å; V393-I421 HydrophobicContact CG1-CG2 3.8Å; V393-I421 WeakPolarHBondContact CG1-O 3.48Å; V393-I421 PolarHBondContact N-O 3.09Å; V393-I421 PolarHBondContact O-N 3.3Å; V393-W423 HydrophobicContact CB-CE3 3.96Å; V393-W423 HydrophobicContact CB-CZ3 4.49Å; V393-W423 HydrophobicContact CG1-CE3 3.79Å; V393-W423 HydrophobicContact CG1-CZ3 4.34Å; V393-W423 HydrophobicContact CG2-CE3 4.28Å; V393-W423 HydrophobicContact CG2-CZ3 4.34Å; V393-L426 HydrophobicContact CG1-CD1 3.63Å
394M76.9Confident64.2Low57 Ų5764 Ų6428%0.28135%0.349SS..EExtended strand (participates in β ladder)trans-96.8115.3173.1-174.8177.7-72.500109.1V384 F385 L418 L420V384-M394 HydrophobicContact CB-CB 4.42Å; V384-M394 HydrophobicContact CB-CG 4.21Å; V384-M394 HydrophobicContact CB-SD 4.41Å; V384-M394 HydrophobicContact CG1-SD 4.22Å; V384-M394 PolarHBondContact N-O 2.86Å; F385-M394 HydrophobicContact CB-CB 4.32Å; F385-M394 PolarHBondContact O-N 3.43Å; M394-L418 HydrophobicContact CG-CB 4.31Å; M394-L418 HydrophobicContact CG-CD2 4.35Å; M394-L418 HydrophobicContact SD-CB 4.44Å; M394-L418 HydrophobicContact SD-CD1 4.22Å; M394-L418 HydrophobicContact SD-CD2 4.44Å; M394-L420 HydrophobicContact CB-CD1 4Å; M394-L420 HydrophobicContact CE-CD1 4.29Å
395L74.1Confident61.9Low0 Ų065 Ų650%035%0.351CS..EExtended strand (participates in β ladder)trans-108.9130.4-176.3-59.7-176.7000110.8I360 F362 A381 Q382 V383 V393 F398 L418 T419 I421 L426I360-L395 HydrophobicContact CD1-CD2 3.91Å; I360-L395 HydrophobicContact CG1-CD2 4.46Å; F362-L395 HydrophobicContact CE1-CD1 3.93Å; F362-L395 HydrophobicContact CZ-CD1 3.79Å; A381-L395 HydrophobicContact CB-CB 3.93Å; A381-L395 HydrophobicContact CB-CD1 4.22Å; A381-L395 HydrophobicContact CB-CD2 4.32Å; A381-L395 HydrophobicContact CB-CG 4.39Å; Q382-L395 WeakPolarHBondContact O-CA 3.05Å; V383-L395 HydrophobicContact CG2-CD2 3.97Å; V393-L395 HydrophobicContact CG1-CD1 4.41Å; V393-L395 HydrophobicContact CG1-CD2 3.99Å; V393-L395 HydrophobicContact CG1-CG 4.05Å; V393-L395 HydrophobicContact CG2-CD2 3.75Å; V393-L395 HydrophobicContact CG2-CG 4.47Å; L395-F398 HydrophobicContact CB-CB 4.45Å; L395-F398 HydrophobicContact CB-CD1 4.34Å; L395-F398 HydrophobicContact CD1-CD1 3.78Å; L395-F398 HydrophobicContact CD1-CE1 4.36Å; L395-L418 CarbonylContact O-C 3.52Å; L395-L418 WeakPolarHBondContact O-CA 3.4Å; L395-T419 PolarHBondContact N-O 2.9Å; L395-T419 PolarHBondContact O-N 2.91Å; L395-I421 HydrophobicContact CD1-CG2 3.78Å; L395-I421 HydrophobicContact CG-CG2 4.22Å; L395-L426 HydrophobicContact CD1-CD1 4.15Å; L395-L426 HydrophobicContact CD1-CD2 4.47Å
396K78.3Confident59.4Low57 Ų5765.3 Ų65.325%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-99.5136.6170.7176.6170169.8167.80110.3Q382 V384 E416 A417 L418Q382-K396 HydrophobicContact CB-CB 4.37Å; Q382-K396 PolarHBondContact N-O 2.91Å; Q382-K396 PolarHBondContact O-N 3.26Å; V384-K396 HydrophobicContact CG2-CB 3.63Å; K396-E416 VanDerWaalsContact CE-CD 3.4Å; K396-E416 WeakPolarHBondContact CE-OE1 3.1Å; K396-E416 WeakPolarHBondContact CE-OE2 3.22Å; K396-E416 IonicContact NZ-OE1 2.66Å; K396-E416 PolarHBondContact NZ-OE1 2.96Å; K396-E416 IonicContact NZ-OE2 2.65Å; K396-E416 PolarHBondContact NZ-OE2 3.14Å; K396-A417 WeakPolarHBondContact CA-O 3.37Å; K396-L418 HydrophobicContact CB-CD2 3.82Å; K396-L418 HydrophobicContact CG-CD2 4.35Å
397G73Confident57.3Low60 Ų6071.4 Ų71.462%0.61939%0.387SS*.SBendtrans80.618.1-179.700000114A417G397-A417 PolarHBondContact N-O 3.03Å
398F70.4Confident55.5Low10 Ų1075 Ų754%0.04441%0.406CS..  trans-130.9131.8168.5161.2-110.3000109.1F362 V364 K379 A381 L395 Q400 T419 I421F362-F398 HydrophobicContact CE2-CD1 4.46Å; F362-F398 HydrophobicContact CE2-CD2 4.26Å; F362-F398 HydrophobicContact CE2-CE1 4.35Å; F362-F398 HydrophobicContact CE2-CE2 4.16Å; F362-F398 HydrophobicContact CE2-CG 4.41Å; F362-F398 HydrophobicContact CE2-CZ 4.19Å; F362-F398 HydrophobicContact CZ-CB 4.23Å; F362-F398 HydrophobicContact CZ-CD1 4.01Å; F362-F398 AromaticContact CZ-CD2 3.96Å; F362-F398 HydrophobicContact CZ-CD2 3.96Å; F362-F398 HydrophobicContact CZ-CE1 4.35Å; F362-F398 HydrophobicContact CZ-CE2 4.32Å; F362-F398 AromaticContact CZ-CG 3.8Å; F362-F398 HydrophobicContact CZ-CG 3.8Å; F362-F398 HydrophobicContact CZ-CZ 4.49Å; V364-F398 HydrophobicContact CG1-CE2 4.41Å; V364-F398 HydrophobicContact CG1-CZ 4.24Å; K379-F398 HydrophobicContact CD-CD2 3.8Å; K379-F398 HydrophobicContact CD-CE2 3.51Å; A381-F398 HydrophobicContact CB-CB 3.7Å; L395-F398 HydrophobicContact CB-CB 4.45Å; L395-F398 HydrophobicContact CB-CD1 4.34Å; L395-F398 HydrophobicContact CD1-CD1 3.78Å; L395-F398 HydrophobicContact CD1-CE1 4.36Å; F398-Q400 HydrophobicContact CE1-CB 4.23Å; F398-Q400 HydrophobicContact CE2-CB 4.39Å; F398-Q400 HydrophobicContact CZ-CB 3.7Å; F398-Q400 HydrophobicContact CZ-CG 4.18Å; F398-T419 HydrophobicContact CD1-CG2 3.94Å; F398-T419 HydrophobicContact CE1-CG2 3.84Å; F398-T419 VanDerWaalsContact O-CB 3.24Å; F398-T419 WeakPolarHBondContact O-CB 3.43Å; F398-T419 PolarHBondContact O-OG1 2.8Å; F398-I421 HydrophobicContact CE1-CD1 4.14Å
399S61.6Low53.6Low74 Ų7479.4 Ų79.452%0.51742%0.419SS..  trans-118137.7161.954.20000108.4
400Q55Low51.9Low57 Ų5781.4 Ų81.427%0.26643%0.431SS..  trans-80.6129.9175.3-169.5171.98.700109F398 T402 M405F398-Q400 HydrophobicContact CE1-CB 4.23Å; F398-Q400 HydrophobicContact CE2-CB 4.39Å; F398-Q400 HydrophobicContact CZ-CB 3.7Å; F398-Q400 HydrophobicContact CZ-CG 4.18Å; Q400-T402 HydrophobicContact CG-CG2 4.41Å; Q400-T402 PolarHBondContact O-N 2.99Å; Q400-M405 WeakPolarHBondContact O-CE 3.32Å
401R45.8Very low50.4Low181 Ų18181.2 Ų81.268%0.68344%0.443SS*.  trans-8199.7169.3-93.7-167.6171.5-157.6-2108.1E366E366-R401 PolarHBondContact OE1-N 3.04Å
402T39.7Very low48.6Very low66 Ų6685 Ų8541%0.40546%0.462SS..  trans-92.6141.3161.451.20000109.1Q400 A404 M405Q400-T402 HydrophobicContact CG-CG2 4.41Å; Q400-T402 PolarHBondContact O-N 2.99Å; T402-A404 PolarHBondContact O-N 2.81Å; T402-M405 PolarHBondContact O-N 3.21Å
403P32.2Very low46.7Very low35 Ų3589.5 Ų89.523%0.22749%0.488CS..G310 helixtrans-61-5.6177.6-27.336000115.4L367 L371 M405 F406L367-P403 HydrophobicContact CB-CG 3.54Å; L367-P403 HydrophobicContact CD1-CG 4.32Å; L371-P403 HydrophobicContact CD2-CB 3.7Å; L371-P403 HydrophobicContact CD2-CG 3.73Å; P403-M405 VanDerWaalsContact C-N 3.25Å; P403-M405 PolarHBondContact O-N 3.08Å; P403-F406 HydrophobicContact CB-CE2 4.21Å; P403-F406 VanDerWaalsContact O-CD2 3.22Å; P403-F406 WeakPolarHBondContact O-CD2 3.15Å
404A29.1Very low45.1Very low83 Ų8397.7 Ų97.769%0.68653%0.532SS*.G310 helixtrans-80.2-0.4171.800000113.7T402T402-A404 PolarHBondContact O-N 2.81Å
405M29.1Very low43.3Very low82 Ų82100.5 Ų100.540%0.40455%0.552SS.*G310 helixtrans-111.336.7178.1-58.6-159.4-50.400113.7Q400 T402 P403 D407 I408Q400-M405 WeakPolarHBondContact O-CE 3.32Å; T402-M405 PolarHBondContact O-N 3.21Å; P403-M405 VanDerWaalsContact C-N 3.25Å; P403-M405 PolarHBondContact O-N 3.08Å; M405-D407 PolarHBondContact O-N 3.37Å; M405-D407 VanDerWaalsContact O-N 3.09Å; M405-I408 HydrophobicContact CB-CD1 4.33Å; M405-I408 HydrophobicContact CB-CG1 4.49Å; M405-I408 HydrophobicContact CE-CD1 3.97Å; M405-I408 HydrophobicContact SD-CD1 3.86Å
406F25.6Very low42.2Very low128 Ų128106.7 Ų106.756%0.56158%0.581SS**THydrogen-bonded Turntrans-80.561.7160.1-69.2-68.3000110.8P403P403-F406 HydrophobicContact CB-CE2 4.21Å; P403-F406 VanDerWaalsContact O-CD2 3.22Å; P403-F406 WeakPolarHBondContact O-CD2 3.15Å
407D29.2Very low41.2Very low163 Ų163105.9 Ų105.987%0.87258%0.584SS**THydrogen-bonded Turntrans-17956.9155.8-95.6-13.9000109.2M405M405-D407 PolarHBondContact O-N 3.37Å; M405-D407 VanDerWaalsContact O-N 3.09Å
408I31Very low40.5Very low100 Ų100107.6 Ų107.651%0.51358%0.579SS.*  trans-99.3113.4152.9-62.8-179.8000105.5M405 L412M405-I408 HydrophobicContact CB-CD1 4.33Å; M405-I408 HydrophobicContact CB-CG1 4.49Å; M405-I408 HydrophobicContact CE-CD1 3.97Å; M405-I408 HydrophobicContact SD-CD1 3.86Å; I408-L412 HydrophobicContact CG2-CD1 4.36Å
409E27.2Very low40.3Very low171 Ų171108.5 Ų108.580%0.79959%0.585SS**  trans-56.1141.9179.9-63.3-179.4125.400111.4G411E409-G411 PolarHBondContact O-N 2.9Å
410E29.8Very low40.6Very low215 Ų215107.6 Ų107.6100%1.00557%0.574SS**THydrogen-bonded Turntrans-67.575.9172.8-65.1-172.613400110.5
411G32.2Very low41.1Very low62 Ų62105 Ų10564%0.63956%0.562SS**THydrogen-bonded Turntrans-179.9-2-176.300000117.6E409 D413E409-G411 PolarHBondContact O-N 2.9Å; G411-D413 PolarHBondContact O-N 2.67Å
412L34.2Very low42.4Very low130 Ų13098.6 Ų98.668%0.68154%0.544SS*.  trans-87.286172.6-74.2175.3000111.4I408 D414I408-L412 HydrophobicContact CG2-CD1 4.36Å; L412-D414 PolarHBondContact O-N 2.76Å
413D34Very low43.9Very low148 Ų14896.9 Ų96.979%0.79153%0.53SS*.  trans-46.6120.6171.6-72.3-41.2000112.6G411 V415G411-D413 PolarHBondContact O-N 2.67Å; D413-V415 WeakPolarHBondContact O-CG2 3.39Å; D413-V415 PolarHBondContact O-N 2.89Å
414D39.2Very low45.8Very low173 Ų17399.1 Ų99.193%0.92555%0.547SS*.  trans21.640159.1-80.8-22.4000119.1L412 E416L412-D414 PolarHBondContact O-N 2.76Å; D414-E416 PolarHBondContact O-N 3.44Å
415V38.2Very low47.8Very low115 Ų11599 Ų9970%0.69753%0.534SS*.  trans-63.3131.1174.4-174.80000107.5D413 A417D413-V415 WeakPolarHBondContact O-CG2 3.39Å; D413-V415 PolarHBondContact O-N 2.89Å; V415-A417 PolarHBondContact O-N 3.15Å
416E52.3Low50.1Low131 Ų13195.7 Ų95.761%0.61252%0.518SS*.  trans-62.673.8-168.1-55.9-163.5142.800114.1K396 D414 L418K396-E416 VanDerWaalsContact CE-CD 3.4Å; K396-E416 WeakPolarHBondContact CE-OE1 3.1Å; K396-E416 WeakPolarHBondContact CE-OE2 3.22Å; K396-E416 IonicContact NZ-OE1 2.66Å; K396-E416 PolarHBondContact NZ-OE1 2.96Å; K396-E416 IonicContact NZ-OE2 2.65Å; K396-E416 PolarHBondContact NZ-OE2 3.14Å; D414-E416 PolarHBondContact O-N 3.44Å; E416-L418 PolarHBondContact O-N 2.97Å; E416-L418 VanDerWaalsContact O-N 3.1Å
417A56.7Low52.5Low39 Ų3992.5 Ų92.532%0.32251%0.505SS..  trans-64.1114-172.100000110.7K396 G397 V415K396-A417 WeakPolarHBondContact CA-O 3.37Å; G397-A417 PolarHBondContact N-O 3.03Å; V415-A417 PolarHBondContact O-N 3.15Å
418L58.8Low55.2Low97 Ų9792.4 Ų92.451%0.50849%0.494SS..EExtended strand (participates in β ladder)trans-93.891172.4-66.1178.8000109.1V384 M394 L395 K396 E416V384-L418 HydrophobicContact CG2-CD2 3.79Å; M394-L418 HydrophobicContact CG-CB 4.31Å; M394-L418 HydrophobicContact CG-CD2 4.35Å; M394-L418 HydrophobicContact SD-CB 4.44Å; M394-L418 HydrophobicContact SD-CD1 4.22Å; M394-L418 HydrophobicContact SD-CD2 4.44Å; L395-L418 CarbonylContact O-C 3.52Å; L395-L418 WeakPolarHBondContact O-CA 3.4Å; K396-L418 HydrophobicContact CB-CD2 3.82Å; K396-L418 HydrophobicContact CG-CD2 4.35Å; E416-L418 PolarHBondContact O-N 2.97Å; E416-L418 VanDerWaalsContact O-N 3.1Å
419T65.6Low57.7Low28 Ų2888.3 Ų88.317%0.17247%0.473CS..EExtended strand (participates in β ladder)trans-88123.6177.3-66.40000109.4L395 F398L395-T419 PolarHBondContact N-O 2.9Å; L395-T419 PolarHBondContact O-N 2.91Å; F398-T419 HydrophobicContact CD1-CG2 3.94Å; F398-T419 HydrophobicContact CE1-CG2 3.84Å; F398-T419 VanDerWaalsContact O-CB 3.24Å; F398-T419 WeakPolarHBondContact O-CB 3.43Å; F398-T419 PolarHBondContact O-OG1 2.8Å
420L66.8Low60.5Low55 Ų5584.8 Ų84.829%0.28845%0.452SS..EExtended strand (participates in β ladder)trans-93123171.7-167.873000108.5E392 V393 M394E392-L420 HydrophobicContact CB-CD1 3.97Å; E392-L420 HydrophobicContact CB-CG 4.12Å; E392-L420 HydrophobicContact CG-CG 4.45Å; E392-L420 VanDerWaalsContact OE1-CD2 3.27Å; E392-L420 WeakPolarHBondContact OE1-CD2 3.38Å; V393-L420 WeakPolarHBondContact O-CA 3.28Å; M394-L420 HydrophobicContact CB-CD1 4Å; M394-L420 HydrophobicContact CE-CD1 4.29Å
421I66.7Low63.1Low2 Ų279.1 Ų79.11%0.0143%0.428CS..EExtended strand (participates in β ladder)trans-141.1139.2-176.4-171165.5000110.6V364 V393 L395 F398 W423 L425 L426V364-I421 HydrophobicContact CG2-CD1 4.04Å; V393-I421 HydrophobicContact CG1-CG2 3.8Å; V393-I421 WeakPolarHBondContact CG1-O 3.48Å; V393-I421 PolarHBondContact N-O 3.09Å; V393-I421 PolarHBondContact O-N 3.3Å; L395-I421 HydrophobicContact CD1-CG2 3.78Å; L395-I421 HydrophobicContact CG-CG2 4.22Å; F398-I421 HydrophobicContact CE1-CD1 4.14Å; I421-W423 PolarHBondContact O-N 2.86Å; I421-L425 HydrophobicContact CD1-CB 4.4Å; I421-L425 HydrophobicContact CG1-CB 4.31Å; I421-L425 HydrophobicContact CG1-CD1 4.42Å; I421-L426 HydrophobicContact CD1-CD2 3.94Å; I421-L426 HydrophobicContact CG1-CD2 4.43Å; I421-L426 HydrophobicContact CG2-CD1 4.4Å; I421-L426 HydrophobicContact CG2-CD2 4.01Å; I421-L426 HydrophobicContact CG2-CG 4.42Å
422P72.2Confident65.4Low48 Ų4876.8 Ų76.831%0.31240%0.403SS..EExtended strand (participates in β ladder)trans-57.3132169.9-25.634.3000111.8D391 S424 L425D391-P422 CarbonylContact O-C 3.54Å; P422-S424 PolarHBondContact O-N 2.82Å; P422-L425 HydrophobicContact CB-CD1 4.42Å; P422-L425 HydrophobicContact CB-CG 4.23Å; P422-L425 HydrophobicContact CG-CD1 4.23Å; P422-L425 WeakPolarHBondContact O-CB 3.27Å; P422-L425 PolarHBondContact O-N 3.15Å
423W71.7Confident66.8Low29 Ų2975.3 Ų75.311%0.1140%0.395CS..G310 helixtrans-59.7-35.7178.9-176.4-97.3000111.6L349 P351 L354 I360 Y386 D391 V393 I421 L425 L426 T429L349-W423 HydrophobicContact CB-CZ2 4.32Å; L349-W423 HydrophobicContact CD2-CH2 4.21Å; L349-W423 HydrophobicContact CD2-CZ2 4.36Å; L349-W423 VanDerWaalsContact O-CZ2 3.24Å; L349-W423 WeakPolarHBondContact O-CZ2 3.44Å; P351-W423 HydrophobicContact CB-CD2 3.69Å; P351-W423 HydrophobicContact CB-CE3 3.93Å; P351-W423 HydrophobicContact CB-CG 4.14Å; P351-W423 HydrophobicContact CB-CH2 4.31Å; P351-W423 HydrophobicContact CB-CZ2 4.09Å; P351-W423 HydrophobicContact CB-CZ3 4.24Å; P351-W423 HydrophobicContact CG-CD2 3.97Å; P351-W423 HydrophobicContact CG-CG 3.93Å; L354-W423 HydrophobicContact CD1-CE3 4.49Å; L354-W423 HydrophobicContact CD1-CH2 3.64Å; L354-W423 HydrophobicContact CD1-CZ3 3.62Å; I360-W423 HydrophobicContact CD1-CH2 4.28Å; I360-W423 HydrophobicContact CD1-CZ3 4Å; Y386-W423 HydrophobicContact CE2-CB 4.15Å; D391-W423 VanDerWaalsContact O-CB 3.29Å; D391-W423 WeakPolarHBondContact O-CB 3.4Å; D391-W423 PolarHBondContact O-N 3.46Å; V393-W423 HydrophobicContact CB-CE3 3.96Å; V393-W423 HydrophobicContact CB-CZ3 4.49Å; V393-W423 HydrophobicContact CG1-CE3 3.79Å; V393-W423 HydrophobicContact CG1-CZ3 4.34Å; V393-W423 HydrophobicContact CG2-CE3 4.28Å; V393-W423 HydrophobicContact CG2-CZ3 4.34Å; I421-W423 PolarHBondContact O-N 2.86Å; W423-L425 PolarHBondContact O-N 3.43Å; W423-L425 VanDerWaalsContact O-N 3.17Å; W423-L426 HydrophobicContact CE3-CD1 3.86Å; W423-L426 HydrophobicContact CZ3-CD1 4.02Å; W423-L426 WeakPolarHBondContact O-CB 3.4Å; W423-L426 PolarHBondContact O-N 3.34Å; W423-T429 HydrophobicContact CH2-CG2 3.35Å; W423-T429 HydrophobicContact CZ2-CG2 3.68Å; W423-T429 HydrophobicContact CZ3-CG2 4.12Å
424S71.5Confident67.6Low83 Ų8374.1 Ų74.158%0.5840%0.396SS*.G310 helixtrans-59.4-14.8171.834.60000115.6D391 P422D391-S424 VanDerWaalsContact OD2-CB 3.32Å; D391-S424 WeakPolarHBondContact OD2-CB 3.41Å; D391-S424 PolarHBondContact OD2-N 2.99Å; D391-S424 VanDerWaalsContact OD2-N 3.08Å; D391-S424 PolarHBondContact OD2-OG 3.3Å; P422-S424 PolarHBondContact O-N 2.82Å
425L72Confident67.7Low80 Ų8074.8 Ų74.842%0.41939%0.385SS..G310 helixtrans-93.3-5.5170.4-61.4-178.7000113.6I421 P422 W423 H427I421-L425 HydrophobicContact CD1-CB 4.4Å; I421-L425 HydrophobicContact CG1-CB 4.31Å; I421-L425 HydrophobicContact CG1-CD1 4.42Å; P422-L425 HydrophobicContact CB-CD1 4.42Å; P422-L425 HydrophobicContact CB-CG 4.23Å; P422-L425 HydrophobicContact CG-CD1 4.23Å; P422-L425 WeakPolarHBondContact O-CB 3.27Å; P422-L425 PolarHBondContact O-N 3.15Å; W423-L425 PolarHBondContact O-N 3.43Å; W423-L425 VanDerWaalsContact O-N 3.17Å; L425-H427 PolarHBondContact O-CD2 3.15Å
426L78Confident67.6Low12 Ų1273.6 Ų73.66%0.06338%0.38CS..EExtended strand (participates in β ladder)trans-91.8105.2176.5-54.9-172.7000110I360 F362 V393 L395 I421 W423 T429I360-L426 HydrophobicContact CD1-CD1 4.18Å; F362-L426 HydrophobicContact CB-CB 4.32Å; F362-L426 HydrophobicContact CD2-CD2 3.68Å; F362-L426 HydrophobicContact CE2-CD2 3.9Å; F362-L426 HydrophobicContact CG-CD2 4.18Å; V393-L426 HydrophobicContact CG1-CD1 3.63Å; L395-L426 HydrophobicContact CD1-CD1 4.15Å; L395-L426 HydrophobicContact CD1-CD2 4.47Å; I421-L426 HydrophobicContact CD1-CD2 3.94Å; I421-L426 HydrophobicContact CG1-CD2 4.43Å; I421-L426 HydrophobicContact CG2-CD1 4.4Å; I421-L426 HydrophobicContact CG2-CD2 4.01Å; I421-L426 HydrophobicContact CG2-CG 4.42Å; W423-L426 HydrophobicContact CE3-CD1 3.86Å; W423-L426 HydrophobicContact CZ3-CD1 4.02Å; W423-L426 WeakPolarHBondContact O-CB 3.4Å; W423-L426 PolarHBondContact O-N 3.34Å; L426-T429 VanDerWaalsContact CB-OG1 3.27Å; L426-T429 WeakPolarHBondContact CB-OG1 3.45Å; L426-T429 PolarHBondContact O-OG1 3.22Å
427H75.9Confident66.9Low62 Ų6274 Ų7429%0.28739%0.392SS..EExtended strand (participates in β ladder)trans-87.7144.4-179.7-62.3-81.8000111.7K363 M375 L425 T429K363-H427 HydrophobicContact CB-CB 4.48Å; K363-H427 PolarHBondContact N-O 2.92Å; K363-H427 PolarHBondContact O-N 3.41Å; M375-H427 HydrophobicContact CE-CB 4Å; M375-H427 HydrophobicContact SD-CB 3.85Å; L425-H427 PolarHBondContact O-CD2 3.15Å; H427-T429 PolarHBondContact O-N 3.3Å; H427-T429 VanDerWaalsContact O-N 3.16Å
428Y85.4Confident65.6Low161 Ų16181.2 Ų81.263%0.63141%0.412SS*.EExtended strand (participates in β ladder)trans56.826.5176.2-48.9-76.3000114.9K363 M375 W378 R430K363-Y428 HydrophobicContact CB-CD2 4.37Å; K363-Y428 HydrophobicContact CD-CD2 4.07Å; M375-Y428 HydrophobicContact CE-CE2 4.27Å; M375-Y428 HydrophobicContact SD-CE2 4.43Å; W378-Y428 WeakPolarHBondContact CH2-O 3.49Å; W378-Y428 WeakPolarHBondContact CZ3-O 3.47Å; Y428-R430 PolarHBondContact O-N 3Å
429T82.9Confident64.4Low14 Ų1481.7 Ų81.79%0.08642%0.42CS..EExtended strand (participates in β ladder)trans-62.2126.4-171.1-46.30000112.9L349 I360 Q361 F362 W423 L426 H427L349-T429 VanDerWaalsContact CB-O 3.31Å; L349-T429 WeakPolarHBondContact CB-O 3.48Å; L349-T429 HydrophobicContact CD2-CG2 4.24Å; I360-T429 HydrophobicContact CB-CG2 4.29Å; I360-T429 HydrophobicContact CD1-CG2 3.8Å; Q361-T429 WeakPolarHBondContact O-CA 3.43Å; F362-T429 HydrophobicContact CB-CG2 4.21Å; W423-T429 HydrophobicContact CH2-CG2 3.35Å; W423-T429 HydrophobicContact CZ2-CG2 3.68Å; W423-T429 HydrophobicContact CZ3-CG2 4.12Å; L426-T429 VanDerWaalsContact CB-OG1 3.27Å; L426-T429 WeakPolarHBondContact CB-OG1 3.45Å; L426-T429 PolarHBondContact O-OG1 3.22Å; H427-T429 PolarHBondContact O-N 3.3Å; H427-T429 VanDerWaalsContact O-N 3.16Å
430R86.2Confident62.8Low96 Ų9689 Ų8936%0.36245%0.453SS..EExtended strand (participates in β ladder)trans-137.4156.1-179.364.8-173.5-173.5-177.81.5110.8I360 Q361 W378 Y428I360-R430 CarbonylContact C-O 3.51Å; I360-R430 VanDerWaalsContact CA-O 3.26Å; I360-R430 WeakPolarHBondContact CA-O 3.41Å; I360-R430 WeakPolarHBondContact CB-O 3.09Å; Q361-R430 HydrophobicContact CB-CG 3.97Å; Q361-R430 PolarHBondContact N-O 2.81Å; Q361-R430 PolarHBondContact O-N 2.92Å; Q361-R430 VanDerWaalsContact OE1-NE 3.09Å; W378-R430 HydrophobicContact CZ3-CG 4.29Å; Y428-R430 PolarHBondContact O-N 3Å
431I83.7Confident60.8Low97 Ų9791.3 Ų91.350%0.49747%0.472SS..EExtended strand (participates in β ladder)trans-68.3136.4168.9-62.2175.2000108.1L349 D433L349-I431 HydrophobicContact CD1-CD1 4.3Å; L349-I431 HydrophobicContact CD1-CG1 4.08Å; L349-I431 HydrophobicContact CD2-CG1 4.06Å; I431-D433 PolarHBondContact O-N 3.23Å
432A80.6Confident59Low12 Ų1296.5 Ų96.510%0.09951%0.507CS..PPolyproline II helixtrans-70.2119.8172.200000109.1T359 Q361T359-A432 HydrophobicContact CG2-CB 3.75Å; T359-A432 PolarHBondContact O-N 2.76Å; Q361-A432 HydrophobicContact CG-CB 4.1Å
433D64Low57Low99 Ų9999.3 Ų99.353%0.52953%0.527SS..PPolyproline II helixtrans-62.7123.7178.6-163.732.4000108.7I431 R435I431-D433 PolarHBondContact O-N 3.23Å; D433-R435 PolarHBondContact O-N 3.13Å; D433-R435 IonicContact OD2-CZ 2.88Å; D433-R435 IonicContact OD2-NE 2.66Å; D433-R435 PolarHBondContact OD2-NE 2.83Å; D433-R435 IonicContact OD2-NH2 2.69Å; D433-R435 PolarHBondContact OD2-NH2 3.42Å
434P51.8Low55.1Low123 Ų123104.8 Ų104.880%0.79956%0.557SS**SBendtrans-75.324.2-165.130.7-37.8000114.5
435R41.6Very low53.3Low188 Ų188110.6 Ų110.671%0.70957%0.572SS**SBendtrans-79.7128.2169.6-63.8-176.7-123.6-139.9-4.8108.1D433 T437D433-R435 PolarHBondContact O-N 3.13Å; D433-R435 IonicContact OD2-CZ 2.88Å; D433-R435 IonicContact OD2-NE 2.66Å; D433-R435 PolarHBondContact OD2-NE 2.83Å; D433-R435 IonicContact OD2-NH2 2.69Å; D433-R435 PolarHBondContact OD2-NH2 3.42Å; R435-T437 PolarHBondContact O-N 2.78Å; R435-T437 VanDerWaalsContact O-N 3.11Å
436P34.7Very low51.7Low90 Ų90117.7 Ų117.758%0.58461%0.609SS**  trans-61121.1170.225.8-32.8000108.7Y438P436-Y438 HydrophobicContact CB-CD2 4.43Å; P436-Y438 HydrophobicContact CB-CE2 4.38Å; P436-Y438 HydrophobicContact CG-CD2 4.11Å; P436-Y438 HydrophobicContact CG-CE2 3.69Å; P436-Y438 PolarHBondContact O-N 2.93Å
437T37.4Very low50.4Low139 Ų139123 Ų12385%0.85364%0.636SS**  trans-66.682.7157.647.70000107.3R435R435-T437 PolarHBondContact O-N 2.78Å; R435-T437 VanDerWaalsContact O-N 3.11Å
438Y29.2Very low49.1Very low191 Ų191126.2 Ų126.275%0.74966%0.655SS**  trans-48135.5160.5-74.6-86.8000107.5P436 Q440P436-Y438 HydrophobicContact CB-CD2 4.43Å; P436-Y438 HydrophobicContact CB-CE2 4.38Å; P436-Y438 HydrophobicContact CG-CD2 4.11Å; P436-Y438 HydrophobicContact CG-CE2 3.69Å; P436-Y438 PolarHBondContact O-N 2.93Å; Y438-Q440 PolarHBondContact O-N 3.08Å
439P33.6Very low47.1Very low106 Ų106124.3 Ų124.369%0.68866%0.656SS**  trans-54.6134.1166.526.1-33.2000106.9C441P439-C441 VanDerWaalsContact C-N 3.26Å; P439-C441 PolarHBondContact O-N 3.33Å
440Q31.8Very low44.9Very low183 Ų183130.8 Ų130.886%0.85569%0.69SS**  trans-62.5100.5166.4-78-175.8-21.700106.4Y438 C442Y438-Q440 PolarHBondContact O-N 3.08Å; Q440-C442 PolarHBondContact O-N 2.98Å
441C26.4Very low42.4Very low102 Ų102132.9 Ų132.969%0.68971%0.71SS**  trans-6098.9164.7-71.70000106.2P439 C443P439-C441 VanDerWaalsContact C-N 3.26Å; P439-C441 PolarHBondContact O-N 3.33Å; C441-C443 PolarHBondContact O-N 3.26Å
442C28.8Very low39.6Very low111 Ų111135.3 Ų135.375%0.7572%0.724SS**  trans-62.680.3161.9-70.80000107.2Q440 I444Q440-C442 PolarHBondContact O-N 2.98Å; C442-I444 PolarHBondContact O-N 3.33Å
443C29Very low36.7Very low108 Ų108144.1 Ų144.173%0.7377%0.769SS**  trans-64.587.1168.5-68.80000106.9C441 K445C441-C443 PolarHBondContact O-N 3.26Å; C443-K445 PolarHBondContact O-N 3.37Å
444I32.6Very low34.6Very low144 Ų144147.6 Ų147.674%0.73879%0.787SS**  trans-55.9104.4167.3-61.5173.5000105.8C442 L446C442-I444 PolarHBondContact O-N 3.33Å; I444-L446 HydrophobicContact CG2-CD2 4.44Å; I444-L446 HydrophobicContact CG2-CG 4.48Å; I444-L446 PolarHBondContact O-N 3.46Å; I444-L446 VanDerWaalsContact O-N 3.15Å
445K33Very low33.1Very low204 Ų204149.7 Ų149.789%0.88779%0.786SS**  trans-70.5104.5162.4-82.4-173.5171-1770107C443C443-K445 PolarHBondContact O-N 3.37Å
446L39.5Very low32.4Very low230 Ų230146.2 Ų146.2100%1.20479%0.793SS**  trans-68.10152.3-63.5170000109.3I444I444-L446 HydrophobicContact CG2-CD2 4.44Å; I444-L446 HydrophobicContact CG2-CG 4.48Å; I444-L446 PolarHBondContact O-N 3.46Å; I444-L446 VanDerWaalsContact O-N 3.15Å

Retrieved 446 of 446 residues in 211.5 ms (Link to these results)

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