A0A077ZJJ3_TRITR Loading...

Cysteine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZJJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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
1M98.3Very high97.3Very high14 Ų1424.4 Ų24.47%0.06913%0.127CC..  0124.70179.4-175.7-6800108V3 I26 F30 V37 N38 F39 V40 I201M1-V3 HydrophobicContact CG-CG2 4.04Å; M1-V3 HydrophobicContact SD-CG2 4.16Å; M1-I26 HydrophobicContact CE-CG2 3.75Å; M1-F30 HydrophobicContact CE-CD2 3.88Å; M1-F30 HydrophobicContact CE-CE2 3.62Å; M1-V37 HydrophobicContact CB-CG1 4.42Å; M1-N38 PolarHBondContact N-O 3.4Å; M1-F39 HydrophobicContact CB-CD2 4.39Å; M1-F39 HydrophobicContact CG-CD2 4.14Å; M1-F39 HydrophobicContact CG-CE2 4.32Å; M1-F39 HydrophobicContact SD-CD2 3.5Å; M1-F39 VanDerWaalsContact SD-CD2 3.5Å; M1-F39 HydrophobicContact SD-CE2 3.51Å; M1-F39 VanDerWaalsContact SD-CE2 3.51Å; M1-V40 PolarHBondContact O-N 2.71Å; M1-I201 CarbonylContact C-O 3.33Å; M1-I201 VanDerWaalsContact CA-O 3.32Å; M1-I201 WeakPolarHBondContact CA-O 3.36Å; M1-I201 HydrophobicContact CB-CB 4.42Å; M1-I201 HydrophobicContact CE-CB 4.27Å; M1-I201 HydrophobicContact CE-CD1 3.64Å; M1-I201 HydrophobicContact CE-CG2 4.17Å; M1-I201 HydrophobicContact CG-CB 4.02Å; M1-I201 HydrophobicContact CG-CG2 3.95Å
2Y98.8Very high97.1Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-107.1133.1172-166.8-91.6000109.2V40 N42 C187 M190 A191 L195 I201 H202 G203Y2-V40 CarbonylContact C-O 3.59Å; Y2-V40 WeakPolarHBondContact CA-O 3.35Å; Y2-V40 HydrophobicContact CD2-CB 3.9Å; Y2-V40 HydrophobicContact CD2-CG1 3.65Å; Y2-V40 HydrophobicContact CE2-CB 4.44Å; Y2-V40 HydrophobicContact CE2-CG1 3.69Å; Y2-N42 WeakPolarHBondContact OH-CB 3.38Å; Y2-N42 VanDerWaalsContact OH-CG 3.23Å; Y2-N42 PolarHBondContact OH-OD1 3.22Å; Y2-C187 HydrophobicContact CE1-CB 4.01Å; Y2-C187 WeakPolarHBondContact OH-CA 3.42Å; Y2-M190 HydrophobicContact CE2-CB 4.18Å; Y2-A191 HydrophobicContact CD1-CB 4.1Å; Y2-A191 HydrophobicContact CD2-CB 3.55Å; Y2-A191 HydrophobicContact CE1-CB 4.31Å; Y2-A191 HydrophobicContact CE2-CB 3.78Å; Y2-A191 HydrophobicContact CG-CB 3.7Å; Y2-L195 HydrophobicContact CD2-CD1 4.21Å; Y2-I201 PolarHBondContact N-O 2.81Å; Y2-H202 AromaticContact CD1-CD2 3.95Å; Y2-H202 AromaticContact CD1-CE1 3.77Å; Y2-H202 AromaticContact CD1-NE2 3.31Å; Y2-H202 VanDerWaalsContact CD1-NE2 3.31Å; Y2-H202 WeakPolarHBondContact CD1-NE2 3.01Å; Y2-H202 AromaticContact CE1-NE2 3.93Å; Y2-H202 CarbonylContact O-C 3.52Å; Y2-H202 VanDerWaalsContact O-CA 3.31Å; Y2-H202 WeakPolarHBondContact O-CA 3.49Å; Y2-G203 PolarHBondContact O-N 3.3Å
3V98.6Very high96.9Very high3 Ų324.5 Ų24.52%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-129.1120.4175.3-178.90000108.8M1 G5 F23 F39 V40 S41 G203M1-V3 HydrophobicContact CG-CG2 4.04Å; M1-V3 HydrophobicContact SD-CG2 4.16Å; V3-G5 PolarHBondContact O-N 3.37Å; V3-F23 HydrophobicContact CB-CG 4.4Å; V3-F23 HydrophobicContact CG1-CB 4.22Å; V3-F23 HydrophobicContact CG1-CD1 4.42Å; V3-F23 HydrophobicContact CG1-CD2 3.43Å; V3-F23 VanDerWaalsContact CG1-CD2 3.43Å; V3-F23 HydrophobicContact CG1-CE2 3.9Å; V3-F23 HydrophobicContact CG1-CG 3.76Å; V3-F23 HydrophobicContact CG2-CB 3.96Å; V3-F23 HydrophobicContact CG2-CD1 3.74Å; V3-F23 HydrophobicContact CG2-CD2 4.24Å; V3-F23 HydrophobicContact CG2-CE1 4.35Å; V3-F23 HydrophobicContact CG2-CG 3.7Å; V3-F39 HydrophobicContact CB-CE2 4.4Å; V3-F39 HydrophobicContact CB-CZ 4Å; V3-F39 HydrophobicContact CG2-CE2 3.57Å; V3-F39 HydrophobicContact CG2-CZ 3.65Å; V3-V40 PolarHBondContact N-O 2.67Å; V3-S41 WeakPolarHBondContact O-CA 3.42Å; V3-S41 VanDerWaalsContact O-CB 3.3Å; V3-S41 WeakPolarHBondContact O-CB 3.41Å; V3-S41 PolarHBondContact O-OG 2.77Å; V3-G203 CarbonylContact C-O 3.51Å; V3-G203 VanDerWaalsContact CA-O 3.32Å; V3-G203 WeakPolarHBondContact CA-O 3.5Å
4C98Very high96.6Very high10 Ų1022.8 Ų22.87%0.06812%0.117CC..  trans-55.9115.7178.2-69.40000110.1H202 G203 L208C4-H202 PolarHBondContact SG-CE1 3Å; C4-G203 PolarHBondContact N-O 3.11Å; C4-L208 HydrophobicContact CB-CD1 3.57Å
5G96.3Very high96.3Very high18 Ų1822.3 Ų22.319%0.18612%0.119CC..  trans-89-175.5-179.800000112.7V3 S41 N42V3-G5 PolarHBondContact O-N 3.37Å; G5-S41 WeakPolarHBondContact CA-OG 3.29Å; G5-N42 WeakPolarHBondContact CA-O 3.39Å; G5-N42 PolarHBondContact N-OD1 2.76Å
6P95.8Very high96.2Very high16 Ų1624.1 Ų24.110%0.10413%0.129CC..  trans-77.7151.6-168.933.1-37.4000112.6V8 I12 F43 T44 F72P6-V8 HydrophobicContact CG-CG1 4.2Å; P6-V8 PolarHBondContact O-N 2.95Å; P6-I12 HydrophobicContact CB-CG2 4.34Å; P6-F43 HydrophobicContact CG-CD1 3.96Å; P6-F43 HydrophobicContact CG-CE1 4.1Å; P6-T44 PolarHBondContact O-N 3.41Å; P6-F72 HydrophobicContact CB-CE2 4.48Å; P6-F72 HydrophobicContact CG-CD2 3.7Å; P6-F72 HydrophobicContact CG-CE2 3.65Å; P6-F72 HydrophobicContact CG-CG 4.27Å; P6-F72 HydrophobicContact CG-CZ 4.19Å
7T96.6Very high96.2Very high26 Ų2622.7 Ų22.716%0.1612%0.122CC..BIsolated β-bridgetrans-73.1118.8157-46.20000109.1Y9 T44 D47 K49 I50T7-Y9 HydrophobicContact CG2-CD1 3.7Å; T7-Y9 HydrophobicContact CG2-CE1 4.37Å; T7-Y9 VanDerWaalsContact O-CD1 3.25Å; T7-Y9 WeakPolarHBondContact O-CD1 3.42Å; T7-Y9 PolarHBondContact O-N 3.1Å; T7-T44 WeakPolarHBondContact CA-O 3.45Å; T7-T44 HydrophobicContact CG2-CG2 4.05Å; T7-D47 HydrophobicContact CG2-CB 3.72Å; T7-K49 HydrophobicContact CG2-CB 4.5Å; T7-K49 HydrophobicContact CG2-CD 4.5Å; T7-I50 HydrophobicContact CG2-CD1 4.11Å; T7-I50 HydrophobicContact CG2-CG1 4.12Å
8V97.7Very high96.1Very high3 Ų321.5 Ų21.52%0.01812%0.115CC..SBendtrans-89.665.2-170.4-67.90000112.7P6 F43 T44 D45 I50 A65 F68 I69P6-V8 HydrophobicContact CG-CG1 4.2Å; P6-V8 PolarHBondContact O-N 2.95Å; V8-F43 HydrophobicContact CG1-CB 4.22Å; V8-F43 HydrophobicContact CG1-CD1 3.58Å; V8-F43 HydrophobicContact CG1-CE1 4.28Å; V8-F43 HydrophobicContact CG1-CG 4.18Å; V8-T44 WeakPolarHBondContact CG2-O 3.48Å; V8-T44 PolarHBondContact N-O 3.01Å; V8-T44 VanDerWaalsContact N-O 3.09Å; V8-D45 HydrophobicContact CG2-CB 3.77Å; V8-I50 HydrophobicContact CG2-CD1 4.21Å; V8-A65 HydrophobicContact CG2-CB 3.71Å; V8-F68 HydrophobicContact CB-CB 4.17Å; V8-I69 HydrophobicContact CB-CG1 4.09Å; V8-I69 HydrophobicContact CG1-CG1 3.79Å; V8-I69 HydrophobicContact CG2-CD1 4.32Å; V8-I69 HydrophobicContact CG2-CG1 4.01Å
9Y96.7Very high96.2Very high62 Ų6221.2 Ų21.224%0.24312%0.115CC..SBendtrans-115-8.3-179.973.7-82.5000114.3T7 K49 F68T7-Y9 HydrophobicContact CG2-CD1 3.7Å; T7-Y9 HydrophobicContact CG2-CE1 4.37Å; T7-Y9 VanDerWaalsContact O-CD1 3.25Å; T7-Y9 WeakPolarHBondContact O-CD1 3.42Å; T7-Y9 PolarHBondContact O-N 3.1Å; Y9-K49 HydrophobicContact CD1-CB 3.86Å; Y9-K49 HydrophobicContact CD1-CD 3.94Å; Y9-K49 HydrophobicContact CD2-CB 4.01Å; Y9-K49 HydrophobicContact CE1-CB 4.28Å; Y9-K49 HydrophobicContact CE1-CD 3.57Å; Y9-K49 HydrophobicContact CE2-CB 4.4Å; Y9-K49 HydrophobicContact CE2-CD 4.38Å; Y9-K49 HydrophobicContact CG-CB 3.71Å; Y9-F68 VanDerWaalsContact C-CE2 3.47Å; Y9-F68 WeakPolarHBondContact O-CD2 2.93Å; Y9-F68 WeakPolarHBondContact O-CE2 3.43Å
10N96.1Very high96.2Very high51 Ų5121.5 Ų21.527%0.27312%0.117SC..SBendtrans-161171.9179.8-151-34.4000110.2F68 K249N10-F68 VanDerWaalsContact CA-CD1 3.46Å; N10-F68 VanDerWaalsContact CA-CE1 3.45Å; N10-K249 PolarHBondContact ND2-NZ 2.99Å
11Y97Very high96.3Very high65 Ų6520.5 Ų20.526%0.25511%0.112SC..PPolyproline II helixtrans-57142.2166.1-62.9-79.1000110.4F68 A71 H258Y11-F68 AromaticContact CD2-CE1 3.96Å; Y11-F68 HydrophobicContact CD2-CE1 3.96Å; Y11-F68 HydrophobicContact CE2-CE1 4.02Å; Y11-F68 HydrophobicContact CG-CE1 4.29Å; Y11-A71 HydrophobicContact CD1-CB 3.69Å; Y11-A71 HydrophobicContact CE1-CB 3.6Å; Y11-H258 HydrophobicContact CD1-CB 3.62Å; Y11-H258 AromaticContact CD1-CG 3.57Å; Y11-H258 AromaticContact CD1-ND1 3.94Å; Y11-H258 HydrophobicContact CE1-CB 4.2Å; Y11-H258 AromaticContact CE1-CD2 3.81Å; Y11-H258 AromaticContact CE1-CE1 3.97Å; Y11-H258 AromaticContact CE1-CG 3.62Å; Y11-H258 AromaticContact CE1-ND1 3.72Å; Y11-H258 HydrophobicContact CG-CB 4.03Å
12I95.9Very high96.3Very high8 Ų820 Ų204%0.04111%0.111CC..PPolyproline II helixtrans-69.5142.6179.352.2164.1000111.2P6 N16 F72 D75 T76 T256 V257P6-I12 HydrophobicContact CB-CG2 4.34Å; I12-N16 HydrophobicContact CB-CB 3.91Å; I12-N16 HydrophobicContact CG2-CB 3.96Å; I12-F72 HydrophobicContact CD1-CD2 3.96Å; I12-F72 HydrophobicContact CD1-CE2 4.22Å; I12-F72 HydrophobicContact CG1-CD2 4.45Å; I12-F72 HydrophobicContact CG2-CD2 3.63Å; I12-F72 HydrophobicContact CG2-CE2 4.22Å; I12-D75 HydrophobicContact CD1-CB 3.98Å; I12-D75 HydrophobicContact CG1-CB 4.01Å; I12-D75 WeakPolarHBondContact CG1-OD2 3.37Å; I12-T76 HydrophobicContact CD1-CG2 4.08Å; I12-T256 CarbonylContact O-C 3.36Å; I12-T256 WeakPolarHBondContact O-CA 3.29Å; I12-V257 HydrophobicContact CD1-CB 4.35Å; I12-V257 HydrophobicContact CD1-CG2 3.92Å; I12-V257 HydrophobicContact CG1-CB 4.14Å; I12-V257 HydrophobicContact CG1-CG2 3.93Å; I12-V257 PolarHBondContact O-N 3.09Å
13H93.6Very high96.3Very high43 Ų4320.1 Ų20.120%0.19911%0.111CC..BIsolated β-bridgetrans-89.1165.6170.558.179.3000111.6G15 N16 A17 F254 V255H13-G15 VanDerWaalsContact ND1-CA 3.26Å; H13-G15 WeakPolarHBondContact ND1-CA 3.46Å; H13-G15 PolarHBondContact ND1-N 3.49Å; H13-G15 VanDerWaalsContact ND1-N 3.11Å; H13-G15 PolarHBondContact O-N 3.26Å; H13-G15 VanDerWaalsContact O-N 3.08Å; H13-N16 PolarHBondContact CD2-OD1 3.46Å; H13-N16 PolarHBondContact CE1-N 3.06Å; H13-N16 PolarHBondContact CE1-ND2 3.4Å; H13-N16 PolarHBondContact CE1-OD1 3.49Å; H13-N16 VanDerWaalsContact CG-OD1 3.23Å; H13-N16 PolarHBondContact N-OD1 2.9Å; H13-N16 PolarHBondContact ND1-N 3.5Å; H13-N16 PolarHBondContact NE2-ND2 3.05Å; H13-N16 PolarHBondContact NE2-OD1 3.33Å; H13-N16 VanDerWaalsContact NE2-OD1 3.13Å; H13-N16 WeakPolarHBondContact O-CB 3.34Å; H13-N16 PolarHBondContact O-N 3.08Å; H13-A17 PolarHBondContact O-N 2.93Å; H13-A17 VanDerWaalsContact O-N 3.12Å; H13-F254 HydrophobicContact CB-CD2 4.27Å; H13-F254 HydrophobicContact CB-CE1 4.18Å; H13-F254 HydrophobicContact CB-CE2 3.55Å; H13-F254 HydrophobicContact CB-CZ 3.51Å; H13-F254 AromaticContact CD2-CE2 3.33Å; H13-F254 WeakPolarHBondContact CD2-CE2 3.4Å; H13-F254 AromaticContact CD2-CZ 3.6Å; H13-F254 AromaticContact CG-CE2 3.61Å; H13-F254 AromaticContact CG-CZ 3.89Å; H13-V255 WeakPolarHBondContact CA-O 3.5Å; H13-V255 WeakPolarHBondContact CB-O 3.26Å
14I93.1Very high96.3Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-53.7-32.3178.5-162179.6000112.8A17 R18 V238 I240 M247 V255 L260 L269 M273 Y284I14-A17 PolarHBondContact O-N 2.9Å; I14-R18 PolarHBondContact O-N 2.86Å; I14-V238 HydrophobicContact CD1-CG1 4.42Å; I14-V238 HydrophobicContact CG2-CB 4.48Å; I14-V238 HydrophobicContact CG2-CG1 3.9Å; I14-I240 HydrophobicContact CG2-CD1 4.35Å; I14-M247 HydrophobicContact CG2-CE 3.62Å; I14-M247 HydrophobicContact CG2-SD 3.34Å; I14-M247 WeakPolarHBondContact CG2-SD 3.39Å; I14-V255 PolarHBondContact N-O 3Å; I14-L260 HydrophobicContact CB-CD1 4.19Å; I14-L260 HydrophobicContact CD1-CD1 4Å; I14-L260 HydrophobicContact CG1-CD1 4.22Å; I14-L269 HydrophobicContact CD1-CD1 4.05Å; I14-L269 HydrophobicContact CG1-CD1 4.41Å; I14-M273 HydrophobicContact CB-CE 4.36Å; I14-M273 HydrophobicContact CD1-CE 3.85Å; I14-M273 HydrophobicContact CG1-CE 3.11Å; I14-Y284 HydrophobicContact CD1-CD1 4.22Å; I14-Y284 HydrophobicContact CD1-CD2 3.18Å; I14-Y284 HydrophobicContact CD1-CE2 3.73Å; I14-Y284 HydrophobicContact CD1-CG 3.46Å; I14-Y284 VanDerWaalsContact CD1-CG 3.46Å
15G92.3Very high96.4Very high15 Ų1520 Ų2016%0.15511%0.109CC..Hα-helixtrans-64.2-37.6172.100000114.9H13 R18H13-G15 VanDerWaalsContact ND1-CA 3.26Å; H13-G15 WeakPolarHBondContact ND1-CA 3.46Å; H13-G15 PolarHBondContact ND1-N 3.49Å; H13-G15 VanDerWaalsContact ND1-N 3.11Å; H13-G15 PolarHBondContact O-N 3.26Å; H13-G15 VanDerWaalsContact O-N 3.08Å; G15-R18 PolarHBondContact O-N 2.74Å
16N94Very high96.5Very high51 Ų5119.2 Ų19.227%0.27310%0.101SC..Hα-helixtrans-69.3-42.7173.1-52.4120.6000110.1I12 H13 R18 S19 T20I12-N16 HydrophobicContact CB-CB 3.91Å; I12-N16 HydrophobicContact CG2-CB 3.96Å; H13-N16 PolarHBondContact CD2-OD1 3.46Å; H13-N16 PolarHBondContact CE1-N 3.06Å; H13-N16 PolarHBondContact CE1-ND2 3.4Å; H13-N16 PolarHBondContact CE1-OD1 3.49Å; H13-N16 VanDerWaalsContact CG-OD1 3.23Å; H13-N16 PolarHBondContact N-OD1 2.9Å; H13-N16 PolarHBondContact ND1-N 3.5Å; H13-N16 PolarHBondContact NE2-ND2 3.05Å; H13-N16 PolarHBondContact NE2-OD1 3.33Å; H13-N16 VanDerWaalsContact NE2-OD1 3.13Å; H13-N16 WeakPolarHBondContact O-CB 3.34Å; H13-N16 PolarHBondContact O-N 3.08Å; N16-R18 PolarHBondContact O-N 2.75Å; N16-S19 WeakPolarHBondContact O-CB 3.35Å; N16-S19 PolarHBondContact O-N 2.9Å; N16-S19 VanDerWaalsContact O-N 3.09Å; N16-T20 PolarHBondContact O-N 2.82Å; N16-T20 VanDerWaalsContact O-N 3.13Å; N16-T20 PolarHBondContact O-OG1 2.87Å
17A96.1Very high96.6Very high1 Ų119.6 Ų19.61%0.00810%0.101CC..Hα-helixtrans-58.6-33.8176.500000113H13 I14 S19 T20 I21 L79 V257 M273H13-A17 PolarHBondContact O-N 2.93Å; H13-A17 VanDerWaalsContact O-N 3.12Å; I14-A17 PolarHBondContact O-N 2.9Å; A17-S19 PolarHBondContact O-N 2.79Å; A17-T20 PolarHBondContact O-N 3.34Å; A17-I21 WeakPolarHBondContact O-CB 3.01Å; A17-I21 WeakPolarHBondContact O-CG1 3.49Å; A17-I21 PolarHBondContact O-N 3.47Å; A17-L79 HydrophobicContact CB-CD1 3.89Å; A17-V257 HydrophobicContact CB-CG2 3.58Å; A17-M273 HydrophobicContact CB-CE 4.02Å; A17-M273 HydrophobicContact CB-SD 4.13Å
18R95.8Very high96.7Very high1 Ų118.8 Ų18.80%0.00410%0.095CC..Hα-helixtrans-59.2-45174.2173.358.51701681112.3I14 G15 N16 A22 V238 M273 T276 Q277 Y278 R280 I282I14-R18 PolarHBondContact O-N 2.86Å; G15-R18 PolarHBondContact O-N 2.74Å; N16-R18 PolarHBondContact O-N 2.75Å; R18-A22 WeakPolarHBondContact O-CB 3.41Å; R18-A22 PolarHBondContact O-N 3.34Å; R18-V238 HydrophobicContact CB-CG2 3.42Å; R18-V238 VanDerWaalsContact CB-CG2 3.42Å; R18-V238 HydrophobicContact CG-CG2 3.8Å; R18-M273 VanDerWaalsContact CA-SD 3.6Å; R18-M273 HydrophobicContact CB-SD 4.06Å; R18-M273 PolarHBondContact NH1-O 2.84Å; R18-T276 PolarHBondContact NH1-O 2.79Å; R18-T276 PolarHBondContact NH2-O 3.46Å; R18-Q277 PolarHBondContact NH2-O 3.23Å; R18-Y278 PolarHBondContact NH2-O 3.41Å; R18-R280 PolarHBondContact NH2-O 3.17Å; R18-I282 HydrophobicContact CG-CG2 4.35Å
19S96.3Very high96.8Very high15 Ų1518.9 Ų18.911%0.10510%0.095CC..Hα-helixtrans-60.8-53.7174.5178.90000110.2N16 A17 I21 A22 F23 N235N16-S19 WeakPolarHBondContact O-CB 3.35Å; N16-S19 PolarHBondContact O-N 2.9Å; N16-S19 VanDerWaalsContact O-N 3.09Å; A17-S19 PolarHBondContact O-N 2.79Å; S19-I21 PolarHBondContact O-N 3.01Å; S19-A22 PolarHBondContact O-N 3.01Å; S19-F23 VanDerWaalsContact O-CD2 3.23Å; S19-F23 WeakPolarHBondContact O-CD2 3.42Å; S19-F23 PolarHBondContact O-N 3.19Å; S19-N235 VanDerWaalsContact CA-OD1 3.26Å; S19-N235 WeakPolarHBondContact CA-OD1 3.45Å; S19-N235 WeakPolarHBondContact CB-OD1 3.42Å; S19-N235 PolarHBondContact OG-OD1 2.66Å
20T97.6Very high96.8Very high28 Ų2818 Ų1817%0.1729%0.092CC..Hα-helixtrans-55.8-46.9-178.4-50.60000112.6N16 A17 D24 F72 T76 V81N16-T20 PolarHBondContact O-N 2.82Å; N16-T20 VanDerWaalsContact O-N 3.13Å; N16-T20 PolarHBondContact O-OG1 2.87Å; A17-T20 PolarHBondContact O-N 3.34Å; T20-D24 VanDerWaalsContact O-CB 3.26Å; T20-D24 WeakPolarHBondContact O-CB 3.48Å; T20-D24 PolarHBondContact O-N 3.49Å; T20-F72 HydrophobicContact CG2-CZ 4.36Å; T20-T76 HydrophobicContact CG2-CG2 3.93Å; T20-V81 HydrophobicContact CG2-CB 4.27Å; T20-V81 HydrophobicContact CG2-CG1 3.52Å; T20-V81 HydrophobicContact CG2-CG2 3.88Å
21I98.5Very high97Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-68.9-43.5179.7-72.7166.8000111.1A17 S19 F23 D24 V25 L79 V81 M273 A274A17-I21 WeakPolarHBondContact O-CB 3.01Å; A17-I21 WeakPolarHBondContact O-CG1 3.49Å; A17-I21 PolarHBondContact O-N 3.47Å; S19-I21 PolarHBondContact O-N 3.01Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.47Å; I21-D24 PolarHBondContact O-N 3.1Å; I21-V25 HydrophobicContact CG2-CG2 4.34Å; I21-V25 WeakPolarHBondContact O-CG2 3.49Å; I21-V25 PolarHBondContact O-N 3.21Å; I21-L79 HydrophobicContact CD1-CB 4.32Å; I21-L79 HydrophobicContact CD1-CD1 4.01Å; I21-V81 HydrophobicContact CG1-CG2 4.04Å; I21-M273 HydrophobicContact CB-CB 4.27Å; I21-M273 HydrophobicContact CD1-CB 3.93Å; I21-M273 HydrophobicContact CD1-CG 4.23Å; I21-M273 HydrophobicContact CD1-SD 3.63Å; I21-M273 HydrophobicContact CG2-CB 3.86Å; I21-A274 HydrophobicContact CG2-CB 3.95Å
22A98.3Very high97Very high5 Ų517.4 Ų17.44%0.0419%0.088CC..Hα-helixtrans-58.2-47.7-179.900000111.6R18 S19 V25 I26 N235R18-A22 WeakPolarHBondContact O-CB 3.41Å; R18-A22 PolarHBondContact O-N 3.34Å; S19-A22 PolarHBondContact O-N 3.01Å; A22-V25 PolarHBondContact O-N 3.08Å; A22-I26 WeakPolarHBondContact O-CD1 3.35Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 2.99Å; A22-N235 HydrophobicContact CB-CB 4.14Å
23F98.5Very high97.1Very high1 Ų121.6 Ų21.60%0.00410%0.103CC..Hα-helixtrans-73.8-27.4179.5-72.4-69.8000113.4V3 S19 I21 I26 R27 F39 G203 G204 M233V3-F23 HydrophobicContact CB-CG 4.4Å; V3-F23 HydrophobicContact CG1-CB 4.22Å; V3-F23 HydrophobicContact CG1-CD1 4.42Å; V3-F23 HydrophobicContact CG1-CD2 3.43Å; V3-F23 VanDerWaalsContact CG1-CD2 3.43Å; V3-F23 HydrophobicContact CG1-CE2 3.9Å; V3-F23 HydrophobicContact CG1-CG 3.76Å; V3-F23 HydrophobicContact CG2-CB 3.96Å; V3-F23 HydrophobicContact CG2-CD1 3.74Å; V3-F23 HydrophobicContact CG2-CD2 4.24Å; V3-F23 HydrophobicContact CG2-CE1 4.35Å; V3-F23 HydrophobicContact CG2-CG 3.7Å; S19-F23 VanDerWaalsContact O-CD2 3.23Å; S19-F23 WeakPolarHBondContact O-CD2 3.42Å; S19-F23 PolarHBondContact O-N 3.19Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.47Å; F23-I26 HydrophobicContact CD1-CD1 3.91Å; F23-I26 HydrophobicContact CE1-CD1 4.15Å; F23-R27 VanDerWaalsContact O-CB 3.29Å; F23-R27 WeakPolarHBondContact O-CB 3.48Å; F23-R27 PolarHBondContact O-N 3.46Å; F23-F39 HydrophobicContact CB-CE2 3.98Å; F23-F39 HydrophobicContact CB-CZ 4.03Å; F23-G203 VanDerWaalsContact CZ-CA 3.43Å; F23-G204 VanDerWaalsContact CZ-N 3.32Å; F23-M233 HydrophobicContact CE1-CB 3.81Å; F23-M233 HydrophobicContact CZ-CB 4.14Å; F23-M233 WeakPolarHBondContact CZ-O 3.35Å
24D98.6Very high97.3Very high3 Ų322.8 Ų22.82%0.01613%0.127CC..Hα-helixtrans-67.2-39.4169.3-178.469.7000112T20 I21 R27 R28 V81 K82 R270T20-D24 VanDerWaalsContact O-CB 3.26Å; T20-D24 WeakPolarHBondContact O-CB 3.48Å; T20-D24 PolarHBondContact O-N 3.49Å; I21-D24 PolarHBondContact O-N 3.1Å; D24-R27 PolarHBondContact O-N 3.43Å; D24-R28 VanDerWaalsContact O-CB 3.32Å; D24-R28 WeakPolarHBondContact O-CB 3.47Å; D24-R28 WeakPolarHBondContact O-CD 3.49Å; D24-R28 WeakPolarHBondContact O-CG 3.48Å; D24-R28 PolarHBondContact O-N 3.41Å; D24-R28 IonicContact OD1-NE 2.71Å; D24-R28 PolarHBondContact OD1-NE 3.25Å; D24-R28 VanDerWaalsContact OD2-CD 3.3Å; D24-R28 WeakPolarHBondContact OD2-CD 3.41Å; D24-R28 IonicContact OD2-CZ 3.72Å; D24-R28 IonicContact OD2-NE 3.43Å; D24-R28 PolarHBondContact OD2-NE 2.88Å; D24-V81 HydrophobicContact CB-CG1 4.18Å; D24-K82 WeakPolarHBondContact OD1-CB 3.38Å; D24-K82 PolarHBondContact OD1-N 2.91Å; D24-R270 IonicContact OD2-CZ 3.78Å; D24-R270 IonicContact OD2-NH1 2.69Å; D24-R270 PolarHBondContact OD2-NH1 3.45Å; D24-R270 IonicContact OD2-NH2 3.67Å; D24-R270 PolarHBondContact OD2-NH2 2.76Å
25V98.7Very high97.6Very high7 Ų729.4 Ų29.44%0.04215%0.154CC..Hα-helixtrans-62.4-47.2172.91720000111.1I21 A22 R27 R28 Y29 A274 V385 F386I21-V25 HydrophobicContact CG2-CG2 4.34Å; I21-V25 WeakPolarHBondContact O-CG2 3.49Å; I21-V25 PolarHBondContact O-N 3.21Å; A22-V25 PolarHBondContact O-N 3.08Å; V25-R27 PolarHBondContact O-N 3.11Å; V25-R28 PolarHBondContact O-N 2.91Å; V25-Y29 WeakPolarHBondContact O-CB 3.41Å; V25-Y29 PolarHBondContact O-N 3.31Å; V25-A274 HydrophobicContact CG2-CB 3.68Å; V25-V385 HydrophobicContact CG1-CG1 4.26Å; V25-F386 HydrophobicContact CG1-CD1 4.5Å
26I98.7Very high97.9Very high2 Ų238.1 Ų38.11%0.0119%0.19CC..Hα-helixtrans-58.8-47.7177-70.1158.2000110.5M1 A22 F23 Y29 F30 M233 Y278 F342M1-I26 HydrophobicContact CE-CG2 3.75Å; A22-I26 WeakPolarHBondContact O-CD1 3.35Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 2.99Å; F23-I26 HydrophobicContact CD1-CD1 3.91Å; F23-I26 HydrophobicContact CE1-CD1 4.15Å; I26-Y29 PolarHBondContact O-N 3.25Å; I26-F30 HydrophobicContact CG2-CD2 3.91Å; I26-F30 HydrophobicContact CG2-CE2 3.57Å; I26-F30 VanDerWaalsContact O-CD2 3.22Å; I26-F30 WeakPolarHBondContact O-CD2 3.46Å; I26-F30 PolarHBondContact O-N 2.99Å; I26-M233 HydrophobicContact CD1-CE 3.42Å; I26-M233 VanDerWaalsContact CD1-CE 3.42Å; I26-M233 HydrophobicContact CG1-CE 4.14Å; I26-M233 HydrophobicContact CG2-CE 4.29Å; I26-Y278 HydrophobicContact CD1-CD1 4.41Å; I26-Y278 HydrophobicContact CD1-CD2 4.34Å; I26-Y278 HydrophobicContact CD1-CG 4.15Å; I26-F342 HydrophobicContact CB-CD1 4.34Å; I26-F342 HydrophobicContact CB-CE1 4.33Å; I26-F342 HydrophobicContact CG1-CB 4.3Å; I26-F342 HydrophobicContact CG1-CD1 3.96Å; I26-F342 HydrophobicContact CG1-CD2 4.17Å; I26-F342 HydrophobicContact CG1-CE1 4.32Å; I26-F342 HydrophobicContact CG1-CG 3.88Å; I26-F342 HydrophobicContact CG2-CD1 4.17Å; I26-F342 HydrophobicContact CG2-CE1 3.68Å; I26-F342 HydrophobicContact CG2-CE2 4.27Å; I26-F342 HydrophobicContact CG2-CZ 3.74Å
27R98.6Very high98.1Very high25 Ų2536.7 Ų36.79%0.09418%0.183CC..Hα-helixtrans-58.1-51.2175.6174.7-172.7172.9178.23.7111.5F23 D24 V25 Y29 F30 E31 V37 F39 P83F23-R27 VanDerWaalsContact O-CB 3.29Å; F23-R27 WeakPolarHBondContact O-CB 3.48Å; F23-R27 PolarHBondContact O-N 3.46Å; D24-R27 PolarHBondContact O-N 3.43Å; V25-R27 PolarHBondContact O-N 3.11Å; R27-Y29 PolarHBondContact O-N 2.77Å; R27-F30 WeakPolarHBondContact O-CB 3.21Å; R27-F30 PolarHBondContact O-N 3.04Å; R27-F30 VanDerWaalsContact O-N 3.17Å; R27-E31 IonicContact CZ-OE1 2.9Å; R27-E31 IonicContact NE-OE1 3.72Å; R27-E31 PolarHBondContact NE-OE1 3.28Å; R27-E31 IonicContact NH2-OE1 3.82Å; R27-E31 WeakPolarHBondContact O-CG 3.44Å; R27-E31 PolarHBondContact O-N 3.47Å; R27-V37 HydrophobicContact CG-CB 4.14Å; R27-V37 HydrophobicContact CG-CG1 4.07Å; R27-V37 HydrophobicContact CG-CG2 4.43Å; R27-F39 HydrophobicContact CB-CD2 4.17Å; R27-F39 HydrophobicContact CG-CD2 4.36Å; R27-P83 PolarHBondContact NH1-O 3.18Å
28R98.7Very high98.2Very high9 Ų940.3 Ų40.33%0.03420%0.202CC..Hα-helixtrans-63.1-32.1-179.2-72.6165.1170.5-92.57.6111.7D24 V25 E31 Y32 N80 K82 T384D24-R28 VanDerWaalsContact O-CB 3.32Å; D24-R28 WeakPolarHBondContact O-CB 3.47Å; D24-R28 WeakPolarHBondContact O-CD 3.49Å; D24-R28 WeakPolarHBondContact O-CG 3.48Å; D24-R28 PolarHBondContact O-N 3.41Å; D24-R28 IonicContact OD1-NE 2.71Å; D24-R28 PolarHBondContact OD1-NE 3.25Å; D24-R28 VanDerWaalsContact OD2-CD 3.3Å; D24-R28 WeakPolarHBondContact OD2-CD 3.41Å; D24-R28 IonicContact OD2-CZ 3.72Å; D24-R28 IonicContact OD2-NE 3.43Å; D24-R28 PolarHBondContact OD2-NE 2.88Å; V25-R28 PolarHBondContact O-N 2.91Å; R28-E31 PolarHBondContact O-N 3.26Å; R28-Y32 WeakPolarHBondContact O-CB 3.47Å; R28-Y32 PolarHBondContact O-N 3.44Å; R28-N80 PolarHBondContact NH2-O 3.34Å; R28-N80 PolarHBondContact NH2-OD1 3.45Å; R28-K82 HydrophobicContact CG-CD 4.11Å; R28-T384 WeakPolarHBondContact CD-O 3.47Å; R28-T384 PolarHBondContact NH1-O 3.08Å
29Y98.8Very high98.3Very high4 Ų441.1 Ų41.12%0.01621%0.206CC..Hα-helixtrans-68.2-43.6173.3-178.9-117000112.3V25 I26 R27 E31 Y32 R33 F334 V335 M338 D339 F342 V385V25-Y29 WeakPolarHBondContact O-CB 3.41Å; V25-Y29 PolarHBondContact O-N 3.31Å; I26-Y29 PolarHBondContact O-N 3.25Å; R27-Y29 PolarHBondContact O-N 2.77Å; Y29-E31 VanDerWaalsContact C-N 3.31Å; Y29-E31 PolarHBondContact O-N 3.24Å; Y29-Y32 HydrophobicContact CD2-CD1 4.13Å; Y29-Y32 AromaticContact CE2-CD1 3.98Å; Y29-Y32 HydrophobicContact CE2-CD1 3.98Å; Y29-Y32 HydrophobicContact CE2-CE1 4.48Å; Y29-Y32 WeakPolarHBondContact O-CB 3.44Å; Y29-Y32 PolarHBondContact O-N 3.29Å; Y29-R33 HydrophobicContact CD1-CG 4.48Å; Y29-R33 HydrophobicContact CD2-CG 4.38Å; Y29-R33 HydrophobicContact CE1-CG 3.99Å; Y29-R33 HydrophobicContact CE2-CG 3.83Å; Y29-R33 WeakPolarHBondContact O-CG 3.32Å; Y29-R33 PolarHBondContact O-N 3.22Å; Y29-R33 PolarHBondContact OH-NH1 3.29Å; Y29-F334 HydrophobicContact CD2-CE1 4.4Å; Y29-F334 HydrophobicContact CE2-CE1 4.28Å; Y29-V335 PolarHBondContact OH-O 3.46Å; Y29-M338 HydrophobicContact CD1-CB 4.19Å; Y29-M338 HydrophobicContact CD1-CE 4.42Å; Y29-M338 HydrophobicContact CD2-CB 3.77Å; Y29-M338 HydrophobicContact CD2-CE 4.03Å; Y29-M338 HydrophobicContact CD2-CG 4.09Å; Y29-M338 HydrophobicContact CE1-CB 3.71Å; Y29-M338 HydrophobicContact CE2-CB 3.27Å; Y29-M338 HydrophobicContact CE2-CG 3.89Å; Y29-M338 HydrophobicContact CG-CB 4.22Å; Y29-M338 HydrophobicContact CG-CE 3.9Å; Y29-D339 WeakPolarHBondContact CE1-OD1 3.34Å; Y29-D339 PolarHBondContact OH-OD1 3.04Å; Y29-F342 AromaticContact CD1-CD1 3.77Å; Y29-F342 HydrophobicContact CD1-CD1 3.77Å; Y29-F342 AromaticContact CD1-CE1 3.82Å; Y29-F342 HydrophobicContact CD1-CE1 3.82Å; Y29-V385 HydrophobicContact CD2-CG1 4.33Å
30F98.6Very high98.4Very high45 Ų4540.4 Ų40.420%0.19720%0.201CC..Hα-helixtrans-58.7-43.8172.2-77.3-56.7000111.8M1 I26 R27 Y32 R33 G34 Y35 V37 I201 F342M1-F30 HydrophobicContact CE-CD2 3.88Å; M1-F30 HydrophobicContact CE-CE2 3.62Å; I26-F30 HydrophobicContact CG2-CD2 3.91Å; I26-F30 HydrophobicContact CG2-CE2 3.57Å; I26-F30 VanDerWaalsContact O-CD2 3.22Å; I26-F30 WeakPolarHBondContact O-CD2 3.46Å; I26-F30 PolarHBondContact O-N 2.99Å; R27-F30 WeakPolarHBondContact O-CB 3.21Å; R27-F30 PolarHBondContact O-N 3.04Å; R27-F30 VanDerWaalsContact O-N 3.17Å; F30-Y32 VanDerWaalsContact C-N 3.34Å; F30-Y32 PolarHBondContact O-N 3.4Å; F30-R33 CarbonylContact O-C 3.55Å; F30-R33 WeakPolarHBondContact O-CA 3.49Å; F30-R33 WeakPolarHBondContact O-CB 3.27Å; F30-R33 PolarHBondContact O-N 3.44Å; F30-R33 VanDerWaalsContact O-N 3.1Å; F30-G34 PolarHBondContact O-N 3.28Å; F30-Y35 HydrophobicContact CB-CD2 4.29Å; F30-Y35 AromaticContact CD1-CD2 3.88Å; F30-Y35 HydrophobicContact CD1-CD2 3.88Å; F30-Y35 HydrophobicContact CD1-CE2 4.21Å; F30-Y35 HydrophobicContact CD1-CG 4.45Å; F30-Y35 WeakPolarHBondContact O-CB 3.42Å; F30-Y35 WeakPolarHBondContact O-CD2 3.41Å; F30-Y35 PolarHBondContact O-N 3.24Å; F30-V37 HydrophobicContact CB-CG2 3.56Å; F30-V37 HydrophobicContact CG-CG2 4.45Å; F30-I201 HydrophobicContact CE2-CD1 3.59Å; F30-I201 HydrophobicContact CZ-CD1 3.67Å; F30-F342 HydrophobicContact CD2-CE1 4.49Å; F30-F342 HydrophobicContact CE1-CE1 4.4Å; F30-F342 HydrophobicContact CE1-CZ 4.29Å; F30-F342 AromaticContact CE2-CE1 3.96Å; F30-F342 HydrophobicContact CE2-CE1 3.96Å; F30-F342 AromaticContact CE2-CZ 3.75Å; F30-F342 HydrophobicContact CE2-CZ 3.75Å; F30-F342 AromaticContact CZ-CE1 3.93Å; F30-F342 HydrophobicContact CZ-CE1 3.93Å; F30-F342 AromaticContact CZ-CZ 3.53Å; F30-F342 HydrophobicContact CZ-CZ 3.53Å
31E98.5Very high98.4Very high53 Ų5339.7 Ų39.725%0.24820%0.197CC..Hα-helixtrans-62.5-40.4175.2-67.8169.5172.100111.7R27 R28 Y29 R33 G34 V37 K82R27-E31 IonicContact CZ-OE1 2.9Å; R27-E31 IonicContact NE-OE1 3.72Å; R27-E31 PolarHBondContact NE-OE1 3.28Å; R27-E31 IonicContact NH2-OE1 3.82Å; R27-E31 WeakPolarHBondContact O-CG 3.44Å; R27-E31 PolarHBondContact O-N 3.47Å; R28-E31 PolarHBondContact O-N 3.26Å; Y29-E31 VanDerWaalsContact C-N 3.31Å; Y29-E31 PolarHBondContact O-N 3.24Å; E31-R33 VanDerWaalsContact C-N 3.25Å; E31-R33 PolarHBondContact O-N 2.97Å; E31-G34 WeakPolarHBondContact O-CA 3.22Å; E31-G34 PolarHBondContact O-N 3.33Å; E31-V37 HydrophobicContact CG-CG2 4.07Å; E31-K82 IonicContact OE2-NZ 3.57Å; E31-K82 PolarHBondContact OE2-NZ 3.45Å
32Y98.3Very high98.4Very high49 Ų4939.7 Ų39.719%0.19220%0.197CC..Hα-helixtrans-59-37.1172.4172.1-88.2000112R28 Y29 F30 G34 K331 F334 V335 E378 K381 V385R28-Y32 WeakPolarHBondContact O-CB 3.47Å; R28-Y32 PolarHBondContact O-N 3.44Å; Y29-Y32 HydrophobicContact CD2-CD1 4.13Å; Y29-Y32 AromaticContact CE2-CD1 3.98Å; Y29-Y32 HydrophobicContact CE2-CD1 3.98Å; Y29-Y32 HydrophobicContact CE2-CE1 4.48Å; Y29-Y32 WeakPolarHBondContact O-CB 3.44Å; Y29-Y32 PolarHBondContact O-N 3.29Å; F30-Y32 VanDerWaalsContact C-N 3.34Å; F30-Y32 PolarHBondContact O-N 3.4Å; Y32-G34 PolarHBondContact O-N 3.24Å; Y32-K331 WeakPolarHBondContact OH-CE 3.41Å; Y32-F334 HydrophobicContact CD1-CE1 4.3Å; Y32-F334 HydrophobicContact CE1-CD1 4.05Å; Y32-F334 AromaticContact CE1-CE1 3.99Å; Y32-F334 HydrophobicContact CE1-CE1 3.99Å; Y32-V335 HydrophobicContact CE1-CG2 3.97Å; Y32-E378 PolarHBondContact OH-OE1 2.86Å; Y32-K381 HydrophobicContact CD2-CB 4.2Å; Y32-K381 HydrophobicContact CE2-CB 3.98Å; Y32-V385 HydrophobicContact CD2-CG2 4.07Å; Y32-V385 HydrophobicContact CG-CG2 3.95Å
33R98.1Very high98.4Very high96 Ų9639.7 Ų39.736%0.36220%0.196SC..THydrogen-bonded Turntrans-76.7-0.6174.7-67.6-60-57.6-79.75.6114.1Y29 F30 E31 Y35 D339Y29-R33 HydrophobicContact CD1-CG 4.48Å; Y29-R33 HydrophobicContact CD2-CG 4.38Å; Y29-R33 HydrophobicContact CE1-CG 3.99Å; Y29-R33 HydrophobicContact CE2-CG 3.83Å; Y29-R33 WeakPolarHBondContact O-CG 3.32Å; Y29-R33 PolarHBondContact O-N 3.22Å; Y29-R33 PolarHBondContact OH-NH1 3.29Å; F30-R33 CarbonylContact O-C 3.55Å; F30-R33 WeakPolarHBondContact O-CA 3.49Å; F30-R33 WeakPolarHBondContact O-CB 3.27Å; F30-R33 PolarHBondContact O-N 3.44Å; F30-R33 VanDerWaalsContact O-N 3.1Å; E31-R33 VanDerWaalsContact C-N 3.25Å; E31-R33 PolarHBondContact O-N 2.97Å; R33-Y35 HydrophobicContact CB-CD2 3.8Å; R33-Y35 HydrophobicContact CB-CE2 3.85Å; R33-D339 IonicContact CZ-OD1 2.68Å; R33-D339 IonicContact CZ-OD2 3.88Å; R33-D339 IonicContact NH1-OD1 3.81Å; R33-D339 PolarHBondContact NH1-OD1 2.92Å; R33-D339 IonicContact NH1-OD2 2.78Å; R33-D339 PolarHBondContact NH1-OD2 2.79Å; R33-D339 IonicContact NH2-OD2 3.16Å
34G98.1Very high98.4Very high68 Ų6839.7 Ų39.770%0.70120%0.196SC*.THydrogen-bonded Turntrans89.213.7175.800000114.7F30 E31 Y32F30-G34 PolarHBondContact O-N 3.28Å; E31-G34 WeakPolarHBondContact O-CA 3.22Å; E31-G34 PolarHBondContact O-N 3.33Å; Y32-G34 PolarHBondContact O-N 3.24Å
35Y98.4Very high98.3Very high140 Ų14039.9 Ų39.955%0.54920%0.197SC..  trans-81.6143.2173.2-65.2-84.3000111.4F30 R33F30-Y35 HydrophobicContact CB-CD2 4.29Å; F30-Y35 AromaticContact CD1-CD2 3.88Å; F30-Y35 HydrophobicContact CD1-CD2 3.88Å; F30-Y35 HydrophobicContact CD1-CE2 4.21Å; F30-Y35 HydrophobicContact CD1-CG 4.45Å; F30-Y35 WeakPolarHBondContact O-CB 3.42Å; F30-Y35 WeakPolarHBondContact O-CD2 3.41Å; F30-Y35 PolarHBondContact O-N 3.24Å; R33-Y35 HydrophobicContact CB-CD2 3.8Å; R33-Y35 HydrophobicContact CB-CE2 3.85Å
36E97.8Very high98.2Very high198 Ų19839.7 Ų39.793%0.92520%0.196SC*.  trans-85.9118.9162.1-174.6-179.7173.100108.6
37V98.3Very high98.1Very high20 Ų2040.6 Ų40.612%0.12120%0.201CC..  trans-105.7110.4-175.7-171.80000110.2M1 R27 F30 E31 F39 T85M1-V37 HydrophobicContact CB-CG1 4.42Å; R27-V37 HydrophobicContact CG-CB 4.14Å; R27-V37 HydrophobicContact CG-CG1 4.07Å; R27-V37 HydrophobicContact CG-CG2 4.43Å; F30-V37 HydrophobicContact CB-CG2 3.56Å; F30-V37 HydrophobicContact CG-CG2 4.45Å; E31-V37 HydrophobicContact CG-CG2 4.07Å; V37-F39 HydrophobicContact CG1-CB 4.22Å; V37-F39 PolarHBondContact O-N 3.26Å; V37-F39 VanDerWaalsContact O-N 3.14Å; V37-T85 PolarHBondContact O-OG1 2.91Å
38N98Very high97.8Very high77 Ų7742.5 Ų42.541%0.41221%0.213SC..  trans-77.993.6164.8-168.55.7000109.1M1 T85 L195M1-N38 PolarHBondContact N-O 3.4Å; N38-T85 WeakPolarHBondContact OD1-CB 3.42Å; N38-T85 VanDerWaalsContact OD1-CG2 3.29Å; N38-T85 WeakPolarHBondContact OD1-CG2 3.5Å; N38-L195 HydrophobicContact CB-CD2 4.18Å; N38-L195 WeakPolarHBondContact ND2-CD2 3.45Å
39F98.6Very high97.7Very high18 Ų1846.8 Ų46.88%0.07923%0.232CC..  trans-98112.3-175.8-173.1-87.7000110.1M1 V3 F23 R27 V37 A84 T85 L86M1-F39 HydrophobicContact CB-CD2 4.39Å; M1-F39 HydrophobicContact CG-CD2 4.14Å; M1-F39 HydrophobicContact CG-CE2 4.32Å; M1-F39 HydrophobicContact SD-CD2 3.5Å; M1-F39 VanDerWaalsContact SD-CD2 3.5Å; M1-F39 HydrophobicContact SD-CE2 3.51Å; M1-F39 VanDerWaalsContact SD-CE2 3.51Å; V3-F39 HydrophobicContact CB-CE2 4.4Å; V3-F39 HydrophobicContact CB-CZ 4Å; V3-F39 HydrophobicContact CG2-CE2 3.57Å; V3-F39 HydrophobicContact CG2-CZ 3.65Å; F23-F39 HydrophobicContact CB-CE2 3.98Å; F23-F39 HydrophobicContact CB-CZ 4.03Å; R27-F39 HydrophobicContact CB-CD2 4.17Å; R27-F39 HydrophobicContact CG-CD2 4.36Å; V37-F39 HydrophobicContact CG1-CB 4.22Å; V37-F39 PolarHBondContact O-N 3.26Å; V37-F39 VanDerWaalsContact O-N 3.14Å; F39-A84 HydrophobicContact CD1-CB 3.7Å; F39-A84 HydrophobicContact CE1-CB 4.17Å; F39-T85 PolarHBondContact N-OG1 2.93Å; F39-T85 WeakPolarHBondContact O-CA 3.46Å; F39-T85 VanDerWaalsContact O-CB 3.25Å; F39-T85 WeakPolarHBondContact O-CB 3.48Å; F39-T85 PolarHBondContact O-N 3.32Å; F39-T85 PolarHBondContact O-OG1 3.41Å; F39-L86 PolarHBondContact O-N 3.12Å
40V98.8Very high97.5Very high1 Ų146.7 Ų46.71%0.00623%0.232CC..BIsolated β-bridgetrans-111.6127.8179.2-179.50000108.8M1 Y2 V3 L86 P88 H194 L195M1-V40 PolarHBondContact O-N 2.71Å; Y2-V40 CarbonylContact C-O 3.59Å; Y2-V40 WeakPolarHBondContact CA-O 3.35Å; Y2-V40 HydrophobicContact CD2-CB 3.9Å; Y2-V40 HydrophobicContact CD2-CG1 3.65Å; Y2-V40 HydrophobicContact CE2-CB 4.44Å; Y2-V40 HydrophobicContact CE2-CG1 3.69Å; V3-V40 PolarHBondContact N-O 2.67Å; V40-L86 WeakPolarHBondContact CA-O 3.32Å; V40-L86 HydrophobicContact CG2-CB 4.28Å; V40-P88 HydrophobicContact CG1-CG 3.66Å; V40-H194 HydrophobicContact CG2-CB 4.46Å; V40-L195 HydrophobicContact CB-CD1 4.16Å; V40-L195 HydrophobicContact CG2-CD1 4.05Å; V40-L195 HydrophobicContact CG2-CD2 3.79Å; V40-L195 HydrophobicContact CG2-CG 3.91Å
41S98.3Very high97.4Very high13 Ų1345 Ų459%0.09122%0.224CC..  trans-138.3116171-172.30000109.8V3 G5 L86 H87V3-S41 WeakPolarHBondContact O-CA 3.42Å; V3-S41 VanDerWaalsContact O-CB 3.3Å; V3-S41 WeakPolarHBondContact O-CB 3.41Å; V3-S41 PolarHBondContact O-OG 2.77Å; G5-S41 WeakPolarHBondContact CA-OG 3.29Å; S41-L86 PolarHBondContact N-O 2.83Å; S41-L86 VanDerWaalsContact N-O 3.14Å; S41-H87 WeakPolarHBondContact O-CA 3.39Å; S41-H87 PolarHBondContact O-ND1 3.48Å
42N98.5Very high97.2Very high0 Ų048.5 Ų48.50%024%0.239CC..  trans-73.6162.9-172.666.1-59.2000113.2Y2 G5 T44 P88 M190Y2-N42 WeakPolarHBondContact OH-CB 3.38Å; Y2-N42 VanDerWaalsContact OH-CG 3.23Å; Y2-N42 PolarHBondContact OH-OD1 3.22Å; G5-N42 WeakPolarHBondContact CA-O 3.39Å; G5-N42 PolarHBondContact N-OD1 2.76Å; N42-T44 PolarHBondContact ND2-OG1 3.21Å; N42-P88 CarbonylContact C-O 3.44Å; N42-P88 WeakPolarHBondContact CA-O 3.25Å; N42-P88 HydrophobicContact CB-CG 3.93Å; N42-P88 WeakPolarHBondContact CB-O 3.22Å; N42-M190 HydrophobicContact CB-CE 3.48Å; N42-M190 VanDerWaalsContact CB-CE 3.48Å; N42-M190 HydrophobicContact CB-SD 3.85Å; N42-M190 WeakPolarHBondContact ND2-CE 3.41Å
43F98.4Very high97.1Very high5 Ų546.5 Ų46.52%0.02223%0.233CC..BIsolated β-bridgetrans-102.4120.4156.2-67.7-56.8000108.6P6 V8 D45 I69 F72 H87 P88 R89P6-F43 HydrophobicContact CG-CD1 3.96Å; P6-F43 HydrophobicContact CG-CE1 4.1Å; V8-F43 HydrophobicContact CG1-CB 4.22Å; V8-F43 HydrophobicContact CG1-CD1 3.58Å; V8-F43 HydrophobicContact CG1-CE1 4.28Å; V8-F43 HydrophobicContact CG1-CG 4.18Å; F43-D45 PolarHBondContact O-N 2.87Å; F43-D45 VanDerWaalsContact O-N 3.15Å; F43-I69 HydrophobicContact CB-CD1 4.23Å; F43-I69 HydrophobicContact CB-CG1 4.28Å; F43-I69 HydrophobicContact CD1-CG1 4.14Å; F43-I69 HydrophobicContact CD2-CD1 3.96Å; F43-I69 HydrophobicContact CD2-CG1 3.84Å; F43-I69 HydrophobicContact CD2-CG2 4.12Å; F43-I69 HydrophobicContact CE1-CG1 4.45Å; F43-I69 HydrophobicContact CE2-CB 4.48Å; F43-I69 HydrophobicContact CE2-CG1 4.16Å; F43-I69 HydrophobicContact CE2-CG2 3.66Å; F43-I69 HydrophobicContact CG-CD1 4.14Å; F43-I69 HydrophobicContact CG-CG1 3.83Å; F43-I69 HydrophobicContact CZ-CG1 4.46Å; F43-I69 HydrophobicContact CZ-CG2 3.99Å; F43-F72 HydrophobicContact CE1-CB 4.41Å; F43-F72 AromaticContact CE1-CD1 3.41Å; F43-F72 HydrophobicContact CE1-CD1 3.41Å; F43-F72 VanDerWaalsContact CE1-CD1 3.41Å; F43-F72 AromaticContact CE1-CE1 3.72Å; F43-F72 HydrophobicContact CE1-CE1 3.72Å; F43-F72 AromaticContact CE1-CG 3.93Å; F43-F72 HydrophobicContact CE1-CG 3.93Å; F43-F72 HydrophobicContact CE1-CZ 4.47Å; F43-F72 AromaticContact CZ-CD1 3.64Å; F43-F72 HydrophobicContact CZ-CD1 3.64Å; F43-F72 AromaticContact CZ-CE1 3.97Å; F43-F72 HydrophobicContact CZ-CE1 3.97Å; F43-F72 HydrophobicContact CZ-CG 4.48Å; F43-H87 HydrophobicContact CD2-CB 3.87Å; F43-H87 HydrophobicContact CE2-CB 3.58Å; F43-H87 AromaticContact CE2-CG 3.73Å; F43-H87 HydrophobicContact CZ-CB 4.39Å; F43-H87 AromaticContact CZ-ND1 3.95Å; F43-P88 PolarHBondContact N-O 3.43Å; F43-R89 HydrophobicContact CB-CG 4.3Å; F43-R89 HydrophobicContact CD2-CG 4.4Å
44T97.6Very high97Very high1 Ų142.4 Ų42.41%0.00622%0.219CC..BIsolated β-bridgetrans-7896.6166.9-70.70000107.5P6 T7 V8 N42 D47 I50 E186P6-T44 PolarHBondContact O-N 3.41Å; T7-T44 WeakPolarHBondContact CA-O 3.45Å; T7-T44 HydrophobicContact CG2-CG2 4.05Å; V8-T44 WeakPolarHBondContact CG2-O 3.48Å; V8-T44 PolarHBondContact N-O 3.01Å; V8-T44 VanDerWaalsContact N-O 3.09Å; N42-T44 PolarHBondContact ND2-OG1 3.21Å; T44-D47 HydrophobicContact CG2-CB 4.13Å; T44-I50 WeakPolarHBondContact O-CD1 3.26Å; T44-E186 VanDerWaalsContact CG2-OE2 3.23Å; T44-E186 WeakPolarHBondContact CG2-OE2 3.11Å; T44-E186 PolarHBondContact OG1-OE2 3.3Å
45D97.6Very high96.9Very high7 Ų745.1 Ų45.14%0.03721%0.212CC..  trans-107.47.5-177.566.4-18.1000114.1V8 F43 I50 A65 R89 V90 I91V8-D45 HydrophobicContact CG2-CB 3.77Å; F43-D45 PolarHBondContact O-N 2.87Å; F43-D45 VanDerWaalsContact O-N 3.15Å; D45-I50 WeakPolarHBondContact O-CD1 3.38Å; D45-A65 HydrophobicContact CB-CB 3.66Å; D45-R89 WeakPolarHBondContact OD2-CB 3.35Å; D45-R89 IonicContact OD2-CZ 3.92Å; D45-R89 VanDerWaalsContact OD2-CZ 3.27Å; D45-R89 IonicContact OD2-NE 2.72Å; D45-R89 PolarHBondContact OD2-NE 3.41Å; D45-R89 IonicContact OD2-NH2 2.82Å; D45-R89 PolarHBondContact OD2-NH2 2.71Å; D45-V90 WeakPolarHBondContact OD1-CA 3.3Å; D45-V90 WeakPolarHBondContact OD1-CB 3.43Å; D45-V90 PolarHBondContact OD1-N 3.42Å; D45-I91 PolarHBondContact OD1-N 3.08Å; D45-I91 VanDerWaalsContact OD1-N 3.14Å; D45-I91 WeakPolarHBondContact OD2-CG2 3.43Å
46V96.5Very high96.8Very high3 Ų344.7 Ų44.72%0.01822%0.215CC..SBendtrans-129.499.4172.6-178.20000108.7V90 W172 R180 P181 E186V46-V90 HydrophobicContact CB-CB 4.17Å; V46-V90 HydrophobicContact CB-CG1 3.92Å; V46-V90 HydrophobicContact CG2-CB 3.94Å; V46-V90 HydrophobicContact CG2-CG1 3.92Å; V46-W172 HydrophobicContact CB-CH2 4.35Å; V46-W172 HydrophobicContact CG1-CH2 3.86Å; V46-W172 HydrophobicContact CG1-CZ3 3.68Å; V46-W172 HydrophobicContact CG2-CH2 3.48Å; V46-W172 VanDerWaalsContact CG2-CH2 3.48Å; V46-W172 HydrophobicContact CG2-CZ2 4.29Å; V46-W172 HydrophobicContact CG2-CZ3 4.12Å; V46-R180 HydrophobicContact CG1-CB 4.03Å; V46-P181 HydrophobicContact CG1-CG 4.18Å; V46-E186 VanDerWaalsContact O-OE1 3.07Å
47D95.4Very high96.7Very high20 Ų2038.7 Ų38.711%0.10719%0.189CC..SBendtrans-155.9158.4-179.4-177.9-108.6000111.5T7 T44 K49 I50 I51T7-D47 HydrophobicContact CG2-CB 3.72Å; T44-D47 HydrophobicContact CG2-CB 4.13Å; D47-K49 PolarHBondContact O-N 3.44Å; D47-K49 WeakPolarHBondContact OD1-CB 3.26Å; D47-K49 WeakPolarHBondContact OD1-CG 3.48Å; D47-K49 PolarHBondContact OD1-N 3.06Å; D47-I50 HydrophobicContact CB-CD1 4.38Å; D47-I50 HydrophobicContact CB-CG1 4.44Å; D47-I50 WeakPolarHBondContact O-CB 3.32Å; D47-I50 PolarHBondContact O-N 2.97Å; D47-I51 PolarHBondContact O-N 2.78Å; D47-I51 VanDerWaalsContact O-N 3.11Å
48D93.3Very high96.6Very high65 Ų6543.1 Ų43.135%0.34822%0.22SC..Hα-helixtrans-55.5-34.9175-77.9-50.2000112.4I50 I51 K52 K163 R180D48-I50 VanDerWaalsContact C-N 3.32Å; D48-I50 PolarHBondContact O-N 3.05Å; D48-I51 PolarHBondContact O-N 3.01Å; D48-K52 WeakPolarHBondContact O-CB 3.36Å; D48-K52 PolarHBondContact O-N 3.16Å; D48-K163 IonicContact OD2-NZ 3.44Å; D48-R180 IonicContact OD1-CZ 3.93Å; D48-R180 IonicContact OD1-NH2 3.06Å; D48-R180 PolarHBondContact OD1-NH2 3.39Å; D48-R180 IonicContact OD2-CZ 2.89Å; D48-R180 IonicContact OD2-NH2 2.7Å; D48-R180 PolarHBondContact OD2-NH2 3.11Å
49K95Very high96.5Very high100 Ų10042 Ų4244%0.43521%0.214SC..Hα-helixtrans-66.9-33.8177.1-63.8171.6-173167.20112.2T7 Y9 D47 A53T7-K49 HydrophobicContact CG2-CB 4.5Å; T7-K49 HydrophobicContact CG2-CD 4.5Å; Y9-K49 HydrophobicContact CD1-CB 3.86Å; Y9-K49 HydrophobicContact CD1-CD 3.94Å; Y9-K49 HydrophobicContact CD2-CB 4.01Å; Y9-K49 HydrophobicContact CE1-CB 4.28Å; Y9-K49 HydrophobicContact CE1-CD 3.57Å; Y9-K49 HydrophobicContact CE2-CB 4.4Å; Y9-K49 HydrophobicContact CE2-CD 4.38Å; Y9-K49 HydrophobicContact CG-CB 3.71Å; D47-K49 PolarHBondContact O-N 3.44Å; D47-K49 WeakPolarHBondContact OD1-CB 3.26Å; D47-K49 WeakPolarHBondContact OD1-CG 3.48Å; D47-K49 PolarHBondContact OD1-N 3.06Å; K49-A53 WeakPolarHBondContact O-CB 3.29Å; K49-A53 PolarHBondContact O-N 2.85Å
50I96.3Very high96.4Very high1 Ų143.6 Ų43.61%0.00523%0.227CC..Hα-helixtrans-73.2-43.7178.2-63.7173.4000109.8T7 V8 T44 D45 D47 D48 K52 A53 A54 A61 V64T7-I50 HydrophobicContact CG2-CD1 4.11Å; T7-I50 HydrophobicContact CG2-CG1 4.12Å; V8-I50 HydrophobicContact CG2-CD1 4.21Å; T44-I50 WeakPolarHBondContact O-CD1 3.26Å; D45-I50 WeakPolarHBondContact O-CD1 3.38Å; D47-I50 HydrophobicContact CB-CD1 4.38Å; D47-I50 HydrophobicContact CB-CG1 4.44Å; D47-I50 WeakPolarHBondContact O-CB 3.32Å; D47-I50 PolarHBondContact O-N 2.97Å; D48-I50 VanDerWaalsContact C-N 3.32Å; D48-I50 PolarHBondContact O-N 3.05Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.2Å; I50-A53 PolarHBondContact O-N 3.49Å; I50-A54 VanDerWaalsContact O-CB 3.29Å; I50-A54 WeakPolarHBondContact O-CB 3.48Å; I50-A54 PolarHBondContact O-N 2.93Å; I50-A61 HydrophobicContact CG2-CB 3.83Å; I50-A61 WeakPolarHBondContact CG2-O 3.26Å; I50-V64 HydrophobicContact CG2-CB 4.2Å; I50-V64 HydrophobicContact CG2-CG1 4.11Å
51I94.9Very high96.2Very high9 Ų944 Ų445%0.04623%0.231CC..Hα-helixtrans-58.6-42.7174.4-65168.1000110.5D47 D48 A54 K55 E169 I170D47-I51 PolarHBondContact O-N 2.78Å; D47-I51 VanDerWaalsContact O-N 3.11Å; D48-I51 PolarHBondContact O-N 3.01Å; I51-A54 PolarHBondContact O-N 3.34Å; I51-K55 HydrophobicContact CG2-CD 4.39Å; I51-K55 WeakPolarHBondContact O-CG 3.3Å; I51-K55 PolarHBondContact O-N 2.75Å; I51-K55 VanDerWaalsContact O-N 3.17Å; I51-E169 HydrophobicContact CD1-CB 4.34Å; I51-E169 HydrophobicContact CG2-CG 3.88Å; I51-I170 HydrophobicContact CD1-CG2 4.36Å; I51-I170 HydrophobicContact CG1-CG2 4.08Å
52K95.3Very high96.2Very high128 Ų12845.4 Ų45.456%0.55724%0.239SC*.Hα-helixtrans-63.3-48.5175.7-178.4177.9171.4178.50111.9D48 I50 A54 K55 E56D48-K52 WeakPolarHBondContact O-CB 3.36Å; D48-K52 PolarHBondContact O-N 3.16Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.2Å; K52-A54 VanDerWaalsContact C-N 3.3Å; K52-A54 PolarHBondContact O-N 2.92Å; K52-K55 PolarHBondContact O-N 3.22Å; K52-E56 WeakPolarHBondContact CE-OE1 3.28Å; K52-E56 IonicContact NZ-OE1 2.79Å; K52-E56 WeakPolarHBondContact O-CG 3.49Å; K52-E56 PolarHBondContact O-N 3.37Å
53A96.2Very high96.1Very high7 Ų750.3 Ų50.36%0.05826%0.262CS..Hα-helixtrans-62.3-37178.500000112.2K49 I50 E56 L57 V64K49-A53 WeakPolarHBondContact O-CB 3.29Å; K49-A53 PolarHBondContact O-N 2.85Å; I50-A53 PolarHBondContact O-N 3.49Å; A53-E56 PolarHBondContact O-N 3.01Å; A53-L57 VanDerWaalsContact O-CB 3.31Å; A53-L57 WeakPolarHBondContact O-CB 3.03Å; A53-L57 WeakPolarHBondContact O-CG 3.2Å; A53-L57 PolarHBondContact O-N 3.45Å; A53-V64 HydrophobicContact CB-CG1 3.91Å
54A96.3Very high96.1Very high10 Ų1050 Ų508%0.08326%0.261CS..Hα-helixtrans-60.1-47.1175.600000111.5I50 I51 K52 E56 L57 S58 I59 A61 V64I50-A54 VanDerWaalsContact O-CB 3.29Å; I50-A54 WeakPolarHBondContact O-CB 3.48Å; I50-A54 PolarHBondContact O-N 2.93Å; I51-A54 PolarHBondContact O-N 3.34Å; K52-A54 VanDerWaalsContact C-N 3.3Å; K52-A54 PolarHBondContact O-N 2.92Å; A54-E56 PolarHBondContact O-N 2.97Å; A54-L57 PolarHBondContact O-N 2.9Å; A54-S58 PolarHBondContact O-N 2.91Å; A54-I59 CarbonylContact C-O 3.51Å; A54-I59 WeakPolarHBondContact CA-O 3.3Å; A54-I59 VanDerWaalsContact CB-O 3.27Å; A54-I59 WeakPolarHBondContact CB-O 3.34Å; A54-I59 PolarHBondContact O-N 2.75Å; A54-I59 VanDerWaalsContact O-O 3.09Å; A54-A61 HydrophobicContact CB-CB 4.32Å; A54-V64 HydrophobicContact CB-CG2 3.87Å
55K95.2Very high96.1Very high124 Ų12450 Ų5054%0.53926%0.261SS..Hα-helixtrans-61.6-42.9174.6-70170.4-179171.10111.9I51 K52 E169I51-K55 HydrophobicContact CG2-CD 4.39Å; I51-K55 WeakPolarHBondContact O-CG 3.3Å; I51-K55 PolarHBondContact O-N 2.75Å; I51-K55 VanDerWaalsContact O-N 3.17Å; K52-K55 PolarHBondContact O-N 3.22Å; K55-E169 IonicContact NZ-OE1 3.01Å; K55-E169 PolarHBondContact NZ-OE1 3.47Å
56E96Very high96.2Very high132 Ų13253.5 Ų53.562%0.61728%0.279SS*.Hα-helixtrans-67.4-38.2179.1-72.2173.5178.700112.9K52 A53 A54K52-E56 WeakPolarHBondContact CE-OE1 3.28Å; K52-E56 IonicContact NZ-OE1 2.79Å; K52-E56 WeakPolarHBondContact O-CG 3.49Å; K52-E56 PolarHBondContact O-N 3.37Å; A53-E56 PolarHBondContact O-N 3.01Å; A54-E56 PolarHBondContact O-N 2.97Å
57L95.8Very high96.3Very high72 Ų7259.3 Ų59.338%0.37730%0.301SS..Hα-helixtrans-90-4.6-178.3-66.1174.1000113.7A53 A54 I59 V64 F68A53-L57 VanDerWaalsContact O-CB 3.31Å; A53-L57 WeakPolarHBondContact O-CB 3.03Å; A53-L57 WeakPolarHBondContact O-CG 3.2Å; A53-L57 PolarHBondContact O-N 3.45Å; A54-L57 PolarHBondContact O-N 2.9Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 HydrophobicContact CB-CD1 4.17Å; L57-I59 HydrophobicContact CB-CG1 3.78Å; L57-I59 HydrophobicContact CD1-CD1 4.33Å; L57-I59 PolarHBondContact O-N 3.42Å; L57-V64 HydrophobicContact CD1-CG2 4.27Å; L57-F68 HydrophobicContact CD1-CE2 4.17Å
58S96.2Very high96.4Very high112 Ų11258.9 Ų58.978%0.78330%0.298SS*.THydrogen-bonded Turntrans55.738.8-177.1-52.40000113.7A54A54-S58 PolarHBondContact O-N 2.91Å
59I96.4Very high96.7Very high55 Ų5556.4 Ų56.428%0.28229%0.285SS..SBendtrans-133.5169.2175.757.3170.7000109.6A54 L57 E63 V64A54-I59 CarbonylContact C-O 3.51Å; A54-I59 WeakPolarHBondContact CA-O 3.3Å; A54-I59 VanDerWaalsContact CB-O 3.27Å; A54-I59 WeakPolarHBondContact CB-O 3.34Å; A54-I59 PolarHBondContact O-N 2.75Å; A54-I59 VanDerWaalsContact O-O 3.09Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 HydrophobicContact CB-CD1 4.17Å; L57-I59 HydrophobicContact CB-CG1 3.78Å; L57-I59 HydrophobicContact CD1-CD1 4.33Å; L57-I59 PolarHBondContact O-N 3.42Å; I59-E63 HydrophobicContact CB-CB 4.24Å; I59-E63 HydrophobicContact CD1-CB 4.08Å; I59-E63 HydrophobicContact CG1-CB 4.47Å; I59-V64 HydrophobicContact CD1-CG2 3.71Å; I59-V64 HydrophobicContact CG1-CG2 3.72Å
60S96.2Very high96.8Very high50 Ų5054.2 Ų54.235%0.3529%0.285SS..  trans-73.5157.1179.770.20000112.8E63 V64S60-E63 VanDerWaalsContact CB-OE2 3.24Å; S60-E63 WeakPolarHBondContact CB-OE2 3.42Å; S60-E63 PolarHBondContact N-OE2 3.33Å; S60-E63 PolarHBondContact O-N 3.5Å; S60-E63 VanDerWaalsContact O-N 3.14Å; S60-E63 VanDerWaalsContact OG-CD 3.3Å; S60-E63 VanDerWaalsContact OG-CG 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.18Å; S60-E63 PolarHBondContact OG-N 2.85Å; S60-E63 PolarHBondContact OG-OE2 3.05Å; S60-V64 PolarHBondContact O-N 3.1Å
61A95.7Very high96.9Very high10 Ų1054.5 Ų54.58%0.08329%0.288CS..Hα-helixtrans-57.6-41.8176.100000113.4I50 A54 E63 V64 A65 I170I50-A61 HydrophobicContact CG2-CB 3.83Å; I50-A61 WeakPolarHBondContact CG2-O 3.26Å; A54-A61 HydrophobicContact CB-CB 4.32Å; A61-E63 PolarHBondContact O-N 3.29Å; A61-V64 WeakPolarHBondContact O-CB 3.27Å; A61-V64 PolarHBondContact O-N 2.84Å; A61-A65 PolarHBondContact O-N 3Å; A61-I170 HydrophobicContact CB-CB 4.36Å; A61-I170 HydrophobicContact CB-CD1 4.47Å; A61-I170 HydrophobicContact CB-CG2 3.83Å
62P96.6Very high97.1Very high42 Ų4254.6 Ų54.627%0.27329%0.288SS..Hα-helixtrans-61.1-40.1172.2-26.237.1000113.5V64 A65 D66 I91 I170P62-V64 VanDerWaalsContact C-N 3.35Å; P62-V64 PolarHBondContact O-N 3.19Å; P62-A65 PolarHBondContact O-N 3.3Å; P62-D66 WeakPolarHBondContact O-CB 3.29Å; P62-D66 VanDerWaalsContact O-CG 3.27Å; P62-D66 PolarHBondContact O-N 3.31Å; P62-I91 HydrophobicContact CG-CD1 4.44Å; P62-I170 HydrophobicContact CG-CD1 3.82Å
63E97.8Very high97.2Very high103 Ų10353.3 Ų53.348%0.48128%0.284SS..Hα-helixtrans-65.7-36.3176.8-72.4167.612100112.4I59 S60 A61 R67I59-E63 HydrophobicContact CB-CB 4.24Å; I59-E63 HydrophobicContact CD1-CB 4.08Å; I59-E63 HydrophobicContact CG1-CB 4.47Å; S60-E63 VanDerWaalsContact CB-OE2 3.24Å; S60-E63 WeakPolarHBondContact CB-OE2 3.42Å; S60-E63 PolarHBondContact N-OE2 3.33Å; S60-E63 PolarHBondContact O-N 3.5Å; S60-E63 VanDerWaalsContact O-N 3.14Å; S60-E63 VanDerWaalsContact OG-CD 3.3Å; S60-E63 VanDerWaalsContact OG-CG 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.18Å; S60-E63 PolarHBondContact OG-N 2.85Å; S60-E63 PolarHBondContact OG-OE2 3.05Å; A61-E63 PolarHBondContact O-N 3.29Å; E63-R67 VanDerWaalsContact O-CB 3.26Å; E63-R67 WeakPolarHBondContact O-CB 3.09Å; E63-R67 PolarHBondContact O-N 3.43Å
64V98.3Very high97.3Very high0 Ų058.7 Ų58.70%031%0.308CS..Hα-helixtrans-61.1-49.9171.2172.30000110.4I50 A53 A54 L57 I59 S60 A61 P62 R67 F68I50-V64 HydrophobicContact CG2-CB 4.2Å; I50-V64 HydrophobicContact CG2-CG1 4.11Å; A53-V64 HydrophobicContact CB-CG1 3.91Å; A54-V64 HydrophobicContact CB-CG2 3.87Å; L57-V64 HydrophobicContact CD1-CG2 4.27Å; I59-V64 HydrophobicContact CD1-CG2 3.71Å; I59-V64 HydrophobicContact CG1-CG2 3.72Å; S60-V64 PolarHBondContact O-N 3.1Å; A61-V64 WeakPolarHBondContact O-CB 3.27Å; A61-V64 PolarHBondContact O-N 2.84Å; P62-V64 VanDerWaalsContact C-N 3.35Å; P62-V64 PolarHBondContact O-N 3.19Å; V64-R67 PolarHBondContact O-N 3.36Å; V64-F68 HydrophobicContact CG1-CD2 3.76Å; V64-F68 HydrophobicContact CG1-CE2 3.96Å; V64-F68 VanDerWaalsContact O-CD2 3.24Å; V64-F68 WeakPolarHBondContact O-CD2 3.32Å; V64-F68 PolarHBondContact O-N 2.99Å; V64-F68 VanDerWaalsContact O-N 3.07Å
65A98Very high97.4Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-59.8-50.9-179.100000111.5V8 D45 A61 P62 R67 F68 I69V8-A65 HydrophobicContact CG2-CB 3.71Å; D45-A65 HydrophobicContact CB-CB 3.66Å; A61-A65 PolarHBondContact O-N 3Å; P62-A65 PolarHBondContact O-N 3.3Å; A65-R67 VanDerWaalsContact C-N 3.29Å; A65-R67 PolarHBondContact O-N 3.13Å; A65-F68 PolarHBondContact O-N 3.34Å; A65-F68 VanDerWaalsContact O-N 3.15Å; A65-I69 WeakPolarHBondContact O-CB 3.44Å; A65-I69 VanDerWaalsContact O-CG1 3.22Å; A65-I69 WeakPolarHBondContact O-CG1 3.27Å; A65-I69 PolarHBondContact O-N 3.22Å
66D98.4Very high97.5Very high80 Ų8053 Ų5343%0.42828%0.283SS..Hα-helixtrans-59.5-41.3-180-68.8-12.1000111.7P62 F68 A70 R89P62-D66 WeakPolarHBondContact O-CB 3.29Å; P62-D66 VanDerWaalsContact O-CG 3.27Å; P62-D66 PolarHBondContact O-N 3.31Å; D66-F68 PolarHBondContact O-N 3.47Å; D66-A70 PolarHBondContact O-N 2.9Å; D66-A70 VanDerWaalsContact O-N 3.08Å; D66-R89 IonicContact OD1-CZ 3.14Å; D66-R89 VanDerWaalsContact OD1-CZ 3.22Å; D66-R89 IonicContact OD1-NH1 2.87Å; D66-R89 PolarHBondContact OD1-NH1 3.48Å; D66-R89 IonicContact OD1-NH2 3.89Å; D66-R89 PolarHBondContact OD1-NH2 3.15Å
67R98.4Very high97.6Very high125 Ų12550 Ų5047%0.47228%0.28SS..Hα-helixtrans-59.5-46.3175.8176.9178.2179.3169.21.5112.1E63 V64 A65 A71E63-R67 VanDerWaalsContact O-CB 3.26Å; E63-R67 WeakPolarHBondContact O-CB 3.09Å; E63-R67 PolarHBondContact O-N 3.43Å; V64-R67 PolarHBondContact O-N 3.36Å; A65-R67 VanDerWaalsContact C-N 3.29Å; A65-R67 PolarHBondContact O-N 3.13Å; R67-A71 PolarHBondContact O-N 3.46Å; R67-A71 VanDerWaalsContact O-N 3.13Å
68F98.3Very high97.6Very high11 Ų1148.7 Ų48.75%0.04828%0.279CS..Hα-helixtrans-86.7-16.9-175.9-69-62.2000113.8V8 Y9 N10 Y11 L57 V64 A65 D66 A71 F72V8-F68 HydrophobicContact CB-CB 4.17Å; Y9-F68 VanDerWaalsContact C-CE2 3.47Å; Y9-F68 WeakPolarHBondContact O-CD2 2.93Å; Y9-F68 WeakPolarHBondContact O-CE2 3.43Å; N10-F68 VanDerWaalsContact CA-CD1 3.46Å; N10-F68 VanDerWaalsContact CA-CE1 3.45Å; Y11-F68 AromaticContact CD2-CE1 3.96Å; Y11-F68 HydrophobicContact CD2-CE1 3.96Å; Y11-F68 HydrophobicContact CE2-CE1 4.02Å; Y11-F68 HydrophobicContact CG-CE1 4.29Å; L57-F68 HydrophobicContact CD1-CE2 4.17Å; V64-F68 HydrophobicContact CG1-CD2 3.76Å; V64-F68 HydrophobicContact CG1-CE2 3.96Å; V64-F68 VanDerWaalsContact O-CD2 3.24Å; V64-F68 WeakPolarHBondContact O-CD2 3.32Å; V64-F68 PolarHBondContact O-N 2.99Å; V64-F68 VanDerWaalsContact O-N 3.07Å; A65-F68 PolarHBondContact O-N 3.34Å; A65-F68 VanDerWaalsContact O-N 3.15Å; D66-F68 PolarHBondContact O-N 3.47Å; F68-A71 HydrophobicContact CD1-CB 4.32Å; F68-F72 VanDerWaalsContact O-CB 3.28Å; F68-F72 WeakPolarHBondContact O-CB 3.34Å; F68-F72 PolarHBondContact O-N 2.95Å
69I98.4Very high97.7Very high14 Ų1443.4 Ų43.47%0.07224%0.243CC..Hα-helixtrans-63.2-52162.3-72.9167.3000109.2V8 F43 A65 A71 F72 E73V8-I69 HydrophobicContact CB-CG1 4.09Å; V8-I69 HydrophobicContact CG1-CG1 3.79Å; V8-I69 HydrophobicContact CG2-CD1 4.32Å; V8-I69 HydrophobicContact CG2-CG1 4.01Å; F43-I69 HydrophobicContact CB-CD1 4.23Å; F43-I69 HydrophobicContact CB-CG1 4.28Å; F43-I69 HydrophobicContact CD1-CG1 4.14Å; F43-I69 HydrophobicContact CD2-CD1 3.96Å; F43-I69 HydrophobicContact CD2-CG1 3.84Å; F43-I69 HydrophobicContact CD2-CG2 4.12Å; F43-I69 HydrophobicContact CE1-CG1 4.45Å; F43-I69 HydrophobicContact CE2-CB 4.48Å; F43-I69 HydrophobicContact CE2-CG1 4.16Å; F43-I69 HydrophobicContact CE2-CG2 3.66Å; F43-I69 HydrophobicContact CG-CD1 4.14Å; F43-I69 HydrophobicContact CG-CG1 3.83Å; F43-I69 HydrophobicContact CZ-CG1 4.46Å; F43-I69 HydrophobicContact CZ-CG2 3.99Å; A65-I69 WeakPolarHBondContact O-CB 3.44Å; A65-I69 VanDerWaalsContact O-CG1 3.22Å; A65-I69 WeakPolarHBondContact O-CG1 3.27Å; A65-I69 PolarHBondContact O-N 3.22Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 PolarHBondContact O-N 2.85Å; I69-F72 WeakPolarHBondContact O-CB 3.41Å; I69-F72 PolarHBondContact O-N 3.4Å; I69-F72 VanDerWaalsContact O-N 3.09Å; I69-E73 WeakPolarHBondContact O-CG 3.13Å; I69-E73 PolarHBondContact O-N 3.3Å
70A98.5Very high97.8Very high53 Ų5343 Ų4344%0.43824%0.241SC..Hα-helixtrans-59.3-42.1178.300000111.9D66 E73 E74D66-A70 PolarHBondContact O-N 2.9Å; D66-A70 VanDerWaalsContact O-N 3.08Å; A70-E73 PolarHBondContact O-N 3.36Å; A70-E74 PolarHBondContact O-N 3.16Å
71A98.1Very high97.9Very high7 Ų741.4 Ų41.46%0.05823%0.229CC..Hα-helixtrans-64.6-38.5175.100000113Y11 R67 F68 I69 E74 D75Y11-A71 HydrophobicContact CD1-CB 3.69Å; Y11-A71 HydrophobicContact CE1-CB 3.6Å; R67-A71 PolarHBondContact O-N 3.46Å; R67-A71 VanDerWaalsContact O-N 3.13Å; F68-A71 HydrophobicContact CD1-CB 4.32Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 PolarHBondContact O-N 2.85Å; A71-E74 PolarHBondContact O-N 3.48Å; A71-D75 WeakPolarHBondContact O-CB 3.19Å; A71-D75 VanDerWaalsContact O-CG 3.28Å; A71-D75 PolarHBondContact O-N 3.3Å
72F98.3Very high98Very high11 Ų1144.1 Ų44.15%0.04824%0.239CC..Hα-helixtrans-62.9-44.5174.4173.2-91.4000111.6P6 I12 T20 F43 F68 I69 E74 D75 T76P6-F72 HydrophobicContact CB-CE2 4.48Å; P6-F72 HydrophobicContact CG-CD2 3.7Å; P6-F72 HydrophobicContact CG-CE2 3.65Å; P6-F72 HydrophobicContact CG-CG 4.27Å; P6-F72 HydrophobicContact CG-CZ 4.19Å; I12-F72 HydrophobicContact CD1-CD2 3.96Å; I12-F72 HydrophobicContact CD1-CE2 4.22Å; I12-F72 HydrophobicContact CG1-CD2 4.45Å; I12-F72 HydrophobicContact CG2-CD2 3.63Å; I12-F72 HydrophobicContact CG2-CE2 4.22Å; T20-F72 HydrophobicContact CG2-CZ 4.36Å; F43-F72 HydrophobicContact CE1-CB 4.41Å; F43-F72 AromaticContact CE1-CD1 3.41Å; F43-F72 HydrophobicContact CE1-CD1 3.41Å; F43-F72 VanDerWaalsContact CE1-CD1 3.41Å; F43-F72 AromaticContact CE1-CE1 3.72Å; F43-F72 HydrophobicContact CE1-CE1 3.72Å; F43-F72 AromaticContact CE1-CG 3.93Å; F43-F72 HydrophobicContact CE1-CG 3.93Å; F43-F72 HydrophobicContact CE1-CZ 4.47Å; F43-F72 AromaticContact CZ-CD1 3.64Å; F43-F72 HydrophobicContact CZ-CD1 3.64Å; F43-F72 AromaticContact CZ-CE1 3.97Å; F43-F72 HydrophobicContact CZ-CE1 3.97Å; F43-F72 HydrophobicContact CZ-CG 4.48Å; F68-F72 VanDerWaalsContact O-CB 3.28Å; F68-F72 WeakPolarHBondContact O-CB 3.34Å; F68-F72 PolarHBondContact O-N 2.95Å; I69-F72 WeakPolarHBondContact O-CB 3.41Å; I69-F72 PolarHBondContact O-N 3.4Å; I69-F72 VanDerWaalsContact O-N 3.09Å; F72-E74 VanDerWaalsContact C-N 3.34Å; F72-D75 PolarHBondContact O-N 2.91Å; F72-T76 HydrophobicContact CD1-CG2 4.24Å; F72-T76 HydrophobicContact CD2-CG2 4.01Å; F72-T76 HydrophobicContact CE1-CG2 3.91Å; F72-T76 HydrophobicContact CE2-CG2 3.67Å; F72-T76 HydrophobicContact CG-CG2 4.32Å; F72-T76 HydrophobicContact CZ-CG2 3.63Å; F72-T76 WeakPolarHBondContact O-CB 3.41Å; F72-T76 VanDerWaalsContact O-CG2 3.31Å; F72-T76 WeakPolarHBondContact O-CG2 3.48Å; F72-T76 PolarHBondContact O-N 2.82Å; F72-T76 PolarHBondContact O-OG1 2.98Å
73E98Very high98Very high101 Ų10147.1 Ų47.147%0.47226%0.259SS..Hα-helixtrans-62.2-41.8177.7-70.4176.5167.200111.3I69 A70 T76 A77I69-E73 WeakPolarHBondContact O-CG 3.13Å; I69-E73 PolarHBondContact O-N 3.3Å; A70-E73 PolarHBondContact O-N 3.36Å; E73-T76 PolarHBondContact O-OG1 3.39Å; E73-A77 WeakPolarHBondContact O-CB 3.46Å; E73-A77 PolarHBondContact O-N 3.39Å
74E98.1Very high98Very high121 Ų12142.9 Ų42.957%0.56524%0.241SC*.Hα-helixtrans-62.3-51.9174.2-174.7-178.8177.900112A70 A71 F72 T76 A77 A78A70-E74 PolarHBondContact O-N 3.16Å; A71-E74 PolarHBondContact O-N 3.48Å; F72-E74 VanDerWaalsContact C-N 3.34Å; E74-T76 VanDerWaalsContact C-N 3.32Å; E74-T76 PolarHBondContact O-N 3.44Å; E74-A77 PolarHBondContact O-N 2.91Å; E74-A78 PolarHBondContact O-N 3.2Å
75D98Very high98Very high2 Ų246.5 Ų46.51%0.01126%0.263CS..Hα-helixtrans-61.9-39.7-178.2-76.4-6.5000111.6I12 A71 F72 L79 V257 H258I12-D75 HydrophobicContact CD1-CB 3.98Å; I12-D75 HydrophobicContact CG1-CB 4.01Å; I12-D75 WeakPolarHBondContact CG1-OD2 3.37Å; A71-D75 WeakPolarHBondContact O-CB 3.19Å; A71-D75 VanDerWaalsContact O-CG 3.28Å; A71-D75 PolarHBondContact O-N 3.3Å; F72-D75 PolarHBondContact O-N 2.91Å; D75-L79 WeakPolarHBondContact O-CG 3.44Å; D75-L79 PolarHBondContact O-N 2.95Å; D75-V257 HydrophobicContact CB-CB 4.15Å; D75-V257 HydrophobicContact CB-CG1 3.84Å; D75-H258 VanDerWaalsContact OD1-CA 3.26Å; D75-H258 WeakPolarHBondContact OD1-CA 3.47Å; D75-H258 WeakPolarHBondContact OD1-CB 3.13Å; D75-H258 IonicContact OD1-CG 3.87Å; D75-H258 PolarHBondContact OD1-N 3.13Å; D75-H258 IonicContact OD1-ND1 3.15Å; D75-H258 PolarHBondContact OD1-ND1 3.12Å; D75-H258 PolarHBondContact OD2-N 3.14Å
76T98Very high98Very high13 Ų1349.8 Ų49.88%0.0828%0.28CS..Hα-helixtrans-78.5-33.7-179.655.20000112.9I12 T20 F72 E73 E74 L79 N80 V81I12-T76 HydrophobicContact CD1-CG2 4.08Å; T20-T76 HydrophobicContact CG2-CG2 3.93Å; F72-T76 HydrophobicContact CD1-CG2 4.24Å; F72-T76 HydrophobicContact CD2-CG2 4.01Å; F72-T76 HydrophobicContact CE1-CG2 3.91Å; F72-T76 HydrophobicContact CE2-CG2 3.67Å; F72-T76 HydrophobicContact CG-CG2 4.32Å; F72-T76 HydrophobicContact CZ-CG2 3.63Å; F72-T76 WeakPolarHBondContact O-CB 3.41Å; F72-T76 VanDerWaalsContact O-CG2 3.31Å; F72-T76 WeakPolarHBondContact O-CG2 3.48Å; F72-T76 PolarHBondContact O-N 2.82Å; F72-T76 PolarHBondContact O-OG1 2.98Å; E73-T76 PolarHBondContact O-OG1 3.39Å; E74-T76 VanDerWaalsContact C-N 3.32Å; E74-T76 PolarHBondContact O-N 3.44Å; T76-L79 CarbonylContact O-C 3.57Å; T76-L79 PolarHBondContact O-N 3.35Å; T76-N80 PolarHBondContact O-N 3.09Å; T76-V81 WeakPolarHBondContact O-CB 3.41Å; T76-V81 PolarHBondContact O-N 3.42Å
77A97.7Very high98Very high68 Ų6848.5 Ų48.556%0.56227%0.272SS*.Hα-helixtrans-62.6-42.6170.700000111.3E73 E74 L79 N80E73-A77 WeakPolarHBondContact O-CB 3.46Å; E73-A77 PolarHBondContact O-N 3.39Å; E74-A77 PolarHBondContact O-N 2.91Å; A77-L79 PolarHBondContact O-N 3.15Å; A77-N80 PolarHBondContact O-N 3.22Å
78A97Very high98Very high44 Ų4442.9 Ų42.936%0.36425%0.251SS..Hα-helixtrans-57.2-35.6173.700000112E74 N80 V261 P266E74-A78 PolarHBondContact O-N 3.2Å; A78-N80 VanDerWaalsContact C-N 3.26Å; A78-N80 PolarHBondContact O-N 3.48Å; A78-V261 HydrophobicContact CB-CG1 4.35Å; A78-P266 HydrophobicContact CB-CB 4.42Å; A78-P266 HydrophobicContact CB-CG 4.42Å; A78-P266 WeakPolarHBondContact O-CB 3.49Å
79L97.9Very high98Very high2 Ų244.9 Ų44.91%0.0126%0.259CS..THydrogen-bonded Turntrans-83.711177-63.2173.1000114.5A17 I21 D75 T76 A77 V81 V257 P266 L269 R270A17-L79 HydrophobicContact CB-CD1 3.89Å; I21-L79 HydrophobicContact CD1-CB 4.32Å; I21-L79 HydrophobicContact CD1-CD1 4.01Å; D75-L79 WeakPolarHBondContact O-CG 3.44Å; D75-L79 PolarHBondContact O-N 2.95Å; T76-L79 CarbonylContact O-C 3.57Å; T76-L79 PolarHBondContact O-N 3.35Å; A77-L79 PolarHBondContact O-N 3.15Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; L79-V81 PolarHBondContact O-N 2.75Å; L79-V257 HydrophobicContact CD1-CG1 3.63Å; L79-V257 HydrophobicContact CD1-CG2 4.35Å; L79-V257 HydrophobicContact CG-CG1 4.12Å; L79-P266 HydrophobicContact CD2-CB 4.44Å; L79-L269 HydrophobicContact CD2-CB 4.01Å; L79-L269 HydrophobicContact CD2-CD2 3.7Å; L79-L269 HydrophobicContact CD2-CG 3.96Å; L79-R270 VanDerWaalsContact O-CD 3.26Å; L79-R270 WeakPolarHBondContact O-CD 3.37Å; L79-R270 WeakPolarHBondContact O-CG 3.23Å
80N98.1Very high98Very high45 Ų4544.2 Ų44.224%0.24126%0.255CS..THydrogen-bonded Turntrans50.838.2-176.4-165.521.8000113.8R28 T76 A77 A78 G387 E389R28-N80 PolarHBondContact NH2-O 3.34Å; R28-N80 PolarHBondContact NH2-OD1 3.45Å; T76-N80 PolarHBondContact O-N 3.09Å; A77-N80 PolarHBondContact O-N 3.22Å; A78-N80 VanDerWaalsContact C-N 3.26Å; A78-N80 PolarHBondContact O-N 3.48Å; N80-G387 PolarHBondContact ND2-O 2.96Å; N80-E389 VanDerWaalsContact ND2-CD 3.32Å; N80-E389 PolarHBondContact ND2-OE1 3.15Å
81V98.4Very high97.9Very high18 Ų1844.1 Ų44.111%0.10925%0.247CC..PPolyproline II helixtrans-78.4132.8170.2173.40000108.3T20 I21 D24 T76 L79T20-V81 HydrophobicContact CG2-CB 4.27Å; T20-V81 HydrophobicContact CG2-CG1 3.52Å; T20-V81 HydrophobicContact CG2-CG2 3.88Å; I21-V81 HydrophobicContact CG1-CG2 4.04Å; D24-V81 HydrophobicContact CB-CG1 4.18Å; T76-V81 WeakPolarHBondContact O-CB 3.41Å; T76-V81 PolarHBondContact O-N 3.42Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; L79-V81 PolarHBondContact O-N 2.75Å
82K97Very high97.9Very high67 Ų6749 Ų4929%0.29127%0.272SS..PPolyproline II helixtrans-68.5134.7172.7-69.1-176175.1-173.90109.7D24 R28 E31 A84D24-K82 WeakPolarHBondContact OD1-CB 3.38Å; D24-K82 PolarHBondContact OD1-N 2.91Å; R28-K82 HydrophobicContact CG-CD 4.11Å; E31-K82 IonicContact OE2-NZ 3.57Å; E31-K82 PolarHBondContact OE2-NZ 3.45Å; K82-A84 PolarHBondContact O-N 3.19Å
83P97.2Very high97.9Very high105 Ų10549.2 Ų49.268%0.68227%0.273SS*.PPolyproline II helixtrans-52.1141.5168.9-25.634.2000110.9R27R27-P83 PolarHBondContact NH1-O 3.18Å
84A97.8Very high98Very high14 Ų1444.7 Ų44.712%0.11625%0.252CS..PPolyproline II helixtrans-60.7155.7174.900000110.4F39 K82 L86 H87F39-A84 HydrophobicContact CD1-CB 3.7Å; F39-A84 HydrophobicContact CE1-CB 4.17Å; K82-A84 PolarHBondContact O-N 3.19Å; A84-L86 WeakPolarHBondContact CB-O 3.5Å; A84-L86 PolarHBondContact O-N 2.92Å; A84-H87 WeakPolarHBondContact CB-CE1 3.14Å; A84-H87 VanDerWaalsContact CB-NE2 3.35Å; A84-H87 WeakPolarHBondContact CB-NE2 3.3Å; A84-H87 PolarHBondContact N-NE2 2.94Å
85T98.3Very high98Very high76 Ų7643.4 Ų43.447%0.46625%0.254SS..SBendtrans-58.8-34.5168.7-500000110.4V37 N38 F39V37-T85 PolarHBondContact O-OG1 2.91Å; N38-T85 WeakPolarHBondContact OD1-CB 3.42Å; N38-T85 VanDerWaalsContact OD1-CG2 3.29Å; N38-T85 WeakPolarHBondContact OD1-CG2 3.5Å; F39-T85 PolarHBondContact N-OG1 2.93Å; F39-T85 WeakPolarHBondContact O-CA 3.46Å; F39-T85 VanDerWaalsContact O-CB 3.25Å; F39-T85 WeakPolarHBondContact O-CB 3.48Å; F39-T85 PolarHBondContact O-N 3.32Å; F39-T85 PolarHBondContact O-OG1 3.41Å
86L98.2Very high98Very high68 Ų6845.5 Ų45.536%0.35627%0.265SS..BIsolated β-bridgetrans-149.7139.7172.3-171.668.8000111.6F39 V40 S41 A84 P88 H194F39-L86 PolarHBondContact O-N 3.12Å; V40-L86 WeakPolarHBondContact CA-O 3.32Å; V40-L86 HydrophobicContact CG2-CB 4.28Å; S41-L86 PolarHBondContact N-O 2.83Å; S41-L86 VanDerWaalsContact N-O 3.14Å; A84-L86 WeakPolarHBondContact CB-O 3.5Å; A84-L86 PolarHBondContact O-N 2.92Å; L86-P88 HydrophobicContact CD2-CB 4.37Å; L86-P88 VanDerWaalsContact O-CD 3.3Å; L86-P88 WeakPolarHBondContact O-CD 3.26Å; L86-H194 HydrophobicContact CD2-CB 4.19Å; L86-H194 VanDerWaalsContact CD2-ND1 3.33Å; L86-H194 WeakPolarHBondContact CD2-ND1 3.41Å
87H98.1Very high98Very high54 Ų5444.9 Ų44.925%0.2526%0.262CS..  trans-11179.7168-72.1-66000111S41 F43 A84S41-H87 WeakPolarHBondContact O-CA 3.39Å; S41-H87 PolarHBondContact O-ND1 3.48Å; F43-H87 HydrophobicContact CD2-CB 3.87Å; F43-H87 HydrophobicContact CE2-CB 3.58Å; F43-H87 AromaticContact CE2-CG 3.73Å; F43-H87 HydrophobicContact CZ-CB 4.39Å; F43-H87 AromaticContact CZ-ND1 3.95Å; A84-H87 WeakPolarHBondContact CB-CE1 3.14Å; A84-H87 VanDerWaalsContact CB-NE2 3.35Å; A84-H87 WeakPolarHBondContact CB-NE2 3.3Å; A84-H87 PolarHBondContact N-NE2 2.94Å
88P98.5Very high98.1Very high6 Ų642.9 Ų42.94%0.03924%0.241CC..  trans-67.3143.5178.630.5-35.3000110.5V40 N42 F43 L86 M190V40-P88 HydrophobicContact CG1-CG 3.66Å; N42-P88 CarbonylContact C-O 3.44Å; N42-P88 WeakPolarHBondContact CA-O 3.25Å; N42-P88 HydrophobicContact CB-CG 3.93Å; N42-P88 WeakPolarHBondContact CB-O 3.22Å; F43-P88 PolarHBondContact N-O 3.43Å; L86-P88 HydrophobicContact CD2-CB 4.37Å; L86-P88 VanDerWaalsContact O-CD 3.3Å; L86-P88 WeakPolarHBondContact O-CD 3.26Å; P88-M190 HydrophobicContact CB-CB 4.32Å; P88-M190 HydrophobicContact CB-CG 4.14Å; P88-M190 HydrophobicContact CB-SD 3.67Å; P88-M190 HydrophobicContact CG-CB 4.13Å; P88-M190 HydrophobicContact CG-CG 4.4Å; P88-M190 HydrophobicContact CG-SD 3.92Å
89R98.4Very high98.2Very high53 Ų5343 Ų4320%0.224%0.242CC..BIsolated β-bridgetrans-113.2141.3-179.5-68.4-179.462.3163.44.7110.5F43 D45 D66 I91 N92 H93F43-R89 HydrophobicContact CB-CG 4.3Å; F43-R89 HydrophobicContact CD2-CG 4.4Å; D45-R89 WeakPolarHBondContact OD2-CB 3.35Å; D45-R89 IonicContact OD2-CZ 3.92Å; D45-R89 VanDerWaalsContact OD2-CZ 3.27Å; D45-R89 IonicContact OD2-NE 2.72Å; D45-R89 PolarHBondContact OD2-NE 3.41Å; D45-R89 IonicContact OD2-NH2 2.82Å; D45-R89 PolarHBondContact OD2-NH2 2.71Å; D66-R89 IonicContact OD1-CZ 3.14Å; D66-R89 VanDerWaalsContact OD1-CZ 3.22Å; D66-R89 IonicContact OD1-NH1 2.87Å; D66-R89 PolarHBondContact OD1-NH1 3.48Å; D66-R89 IonicContact OD1-NH2 3.89Å; D66-R89 PolarHBondContact OD1-NH2 3.15Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 HydrophobicContact CB-CG2 4.16Å; R89-I91 PolarHBondContact O-N 3.18Å; R89-N92 PolarHBondContact O-N 2.91Å; R89-N92 VanDerWaalsContact O-N 3.13Å; R89-H93 PolarHBondContact O-ND1 3.28Å
90V98.3Very high98.2Very high0 Ų043.1 Ų43.10%024%0.243CC..G310 helixtrans-61.1-42.8-177.4-174.60000111.2D45 V46 N92 H93 I94 I97 P181 E186 M190D45-V90 WeakPolarHBondContact OD1-CA 3.3Å; D45-V90 WeakPolarHBondContact OD1-CB 3.43Å; D45-V90 PolarHBondContact OD1-N 3.42Å; V46-V90 HydrophobicContact CB-CB 4.17Å; V46-V90 HydrophobicContact CB-CG1 3.92Å; V46-V90 HydrophobicContact CG2-CB 3.94Å; V46-V90 HydrophobicContact CG2-CG1 3.92Å; V90-N92 PolarHBondContact O-N 3.49Å; V90-H93 PolarHBondContact O-N 2.9Å; V90-I94 HydrophobicContact CG1-CD1 4.33Å; V90-I94 PolarHBondContact O-N 2.98Å; V90-I97 HydrophobicContact CG1-CD1 3.84Å; V90-P181 HydrophobicContact CG1-CG 3.73Å; V90-E186 HydrophobicContact CB-CG 4.48Å; V90-E186 HydrophobicContact CG1-CB 4.42Å; V90-E186 HydrophobicContact CG1-CG 3.7Å; V90-E186 HydrophobicContact CG2-CB 4.01Å; V90-E186 HydrophobicContact CG2-CG 3.9Å; V90-E186 VanDerWaalsContact CG2-OE2 3.29Å; V90-E186 WeakPolarHBondContact CG2-OE2 3.47Å; V90-M190 HydrophobicContact CG2-CE 3.89Å
91I97.3Very high98.2Very high51 Ų5141 Ų4126%0.26223%0.231SC..G310 helixtrans-55.7-28.2178.9-169.1158.9000113.4D45 P62 R89 W172D45-I91 PolarHBondContact OD1-N 3.08Å; D45-I91 VanDerWaalsContact OD1-N 3.14Å; D45-I91 WeakPolarHBondContact OD2-CG2 3.43Å; P62-I91 HydrophobicContact CG-CD1 4.44Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 HydrophobicContact CB-CG2 4.16Å; R89-I91 PolarHBondContact O-N 3.18Å; I91-W172 HydrophobicContact CB-CZ2 4.48Å; I91-W172 HydrophobicContact CD1-CZ2 4.07Å; I91-W172 HydrophobicContact CG1-CZ2 3.83Å
92N98Very high98.3Very high109 Ų10943.9 Ų43.958%0.58324%0.244SC*.G310 helixtrans-88.3-3.9-179.6-65.6-25.1000113.4R89 V90R89-N92 PolarHBondContact O-N 2.91Å; R89-N92 VanDerWaalsContact O-N 3.13Å; V90-N92 PolarHBondContact O-N 3.49Å
93H98.5Very high98.3Very high16 Ų1642.7 Ų42.77%0.07424%0.242CC..  trans-122.511-175.7-64.286.5000113.1R89 V90 D96 I97 M190 H194R89-H93 PolarHBondContact O-ND1 3.28Å; V90-H93 PolarHBondContact O-N 2.9Å; H93-D96 HydrophobicContact CB-CB 4.49Å; H93-D96 IonicContact CD2-OD2 3.61Å; H93-D96 WeakPolarHBondContact O-CB 3.45Å; H93-D96 PolarHBondContact O-N 3.39Å; H93-I97 WeakPolarHBondContact O-CG1 3.25Å; H93-I97 PolarHBondContact O-N 3.16Å; H93-M190 HydrophobicContact CB-CG 4.3Å; H93-H194 AromaticContact CD2-NE2 3.85Å; H93-H194 AromaticContact CE1-NE2 3.47Å; H93-H194 PolarHBondContact CE1-NE2 3.47Å; H93-H194 AromaticContact NE2-CD2 3.96Å; H93-H194 AromaticContact NE2-CE1 3.49Å; H93-H194 PolarHBondContact NE2-CE1 2.88Å; H93-H194 AromaticContact NE2-NE2 2.82Å; H93-H194 PolarHBondContact NE2-NE2 3.12Å
94I98.4Very high98.4Very high7 Ų737.7 Ų37.74%0.03621%0.209CC..Hα-helixtrans-53-46178.4-58.1-64.3000112.4V90 D96 I97 L98 W162 W172 P181V90-I94 HydrophobicContact CG1-CD1 4.33Å; V90-I94 PolarHBondContact O-N 2.98Å; I94-D96 VanDerWaalsContact C-N 3.32Å; I94-D96 PolarHBondContact O-N 3.23Å; I94-I97 HydrophobicContact CD1-CD1 4.33Å; I94-I97 PolarHBondContact O-N 3.26Å; I94-L98 HydrophobicContact CG2-CD1 4.24Å; I94-L98 HydrophobicContact CG2-CG 4.35Å; I94-L98 WeakPolarHBondContact O-CG 3.32Å; I94-L98 PolarHBondContact O-N 3.27Å; I94-W162 HydrophobicContact CG2-CH2 4.42Å; I94-W172 HydrophobicContact CB-CG 4.42Å; I94-W172 HydrophobicContact CD1-CD2 3.94Å; I94-W172 HydrophobicContact CD1-CE3 3.99Å; I94-W172 HydrophobicContact CD1-CH2 4.39Å; I94-W172 HydrophobicContact CD1-CZ2 4.32Å; I94-W172 HydrophobicContact CD1-CZ3 4.22Å; I94-W172 HydrophobicContact CG1-CD2 3.87Å; I94-W172 HydrophobicContact CG1-CE3 4.44Å; I94-W172 HydrophobicContact CG1-CG 4.1Å; I94-W172 HydrophobicContact CG1-CZ2 4.25Å; I94-W172 HydrophobicContact CG2-CB 3.87Å; I94-W172 HydrophobicContact CG2-CD2 4.28Å; I94-W172 HydrophobicContact CG2-CG 3.77Å; I94-P181 HydrophobicContact CD1-CG 4.05Å
95P98.4Very high98.5Very high93 Ų9339.5 Ų39.560%0.60422%0.217SC*.Hα-helixtrans-61.4-38.4176.5-23.635.5000113.4I97 L98 A99P95-I97 VanDerWaalsContact C-N 3.34Å; P95-L98 PolarHBondContact O-N 2.91Å; P95-A99 PolarHBondContact O-N 3.38Å; P95-A99 VanDerWaalsContact O-N 3.12Å
96D98.7Very high98.5Very high47 Ų4743.6 Ų43.625%0.25123%0.23SC..Hα-helixtrans-66.7-38.1176.8-62.4-67.6000111.1H93 I94 F100 V189 K193H93-D96 HydrophobicContact CB-CB 4.49Å; H93-D96 IonicContact CD2-OD2 3.61Å; H93-D96 WeakPolarHBondContact O-CB 3.45Å; H93-D96 PolarHBondContact O-N 3.39Å; I94-D96 VanDerWaalsContact C-N 3.32Å; I94-D96 PolarHBondContact O-N 3.23Å; D96-F100 WeakPolarHBondContact O-CB 3.44Å; D96-F100 PolarHBondContact O-N 3.35Å; D96-V189 HydrophobicContact CB-CG1 3.53Å; D96-K193 IonicContact OD1-NZ 3.13Å; D96-K193 PolarHBondContact OD1-NZ 2.83Å; D96-K193 IonicContact OD2-NZ 3.74Å
97I98.8Very high98.5Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-65.5-46.7176.9-64.8161.7000110.7V90 H93 I94 P95 A99 F100 I101 P181 I185 V189V90-I97 HydrophobicContact CG1-CD1 3.84Å; H93-I97 WeakPolarHBondContact O-CG1 3.25Å; H93-I97 PolarHBondContact O-N 3.16Å; I94-I97 HydrophobicContact CD1-CD1 4.33Å; I94-I97 PolarHBondContact O-N 3.26Å; P95-I97 VanDerWaalsContact C-N 3.34Å; I97-A99 PolarHBondContact O-N 3.34Å; I97-F100 WeakPolarHBondContact O-CB 3.29Å; I97-F100 PolarHBondContact O-N 2.96Å; I97-I101 HydrophobicContact CG2-CD1 3.79Å; I97-I101 HydrophobicContact CG2-CG1 4.32Å; I97-I101 VanDerWaalsContact O-CG1 3.31Å; I97-I101 WeakPolarHBondContact O-CG1 3.44Å; I97-I101 PolarHBondContact O-N 3.24Å; I97-P181 HydrophobicContact CD1-CB 4.03Å; I97-P181 HydrophobicContact CD1-CG 4.08Å; I97-P181 HydrophobicContact CG2-CB 3.99Å; I97-I185 HydrophobicContact CG2-CG1 4.13Å; I97-I185 HydrophobicContact CG2-CG2 3.85Å; I97-V189 HydrophobicContact CB-CG2 4.26Å; I97-V189 HydrophobicContact CG1-CB 3.91Å; I97-V189 HydrophobicContact CG1-CG1 3.86Å; I97-V189 HydrophobicContact CG1-CG2 3.8Å
98L98.7Very high98.5Very high25 Ų2543 Ų4313%0.13123%0.23CC..Hα-helixtrans-58-48.4177.6-68178000111.5I94 P95 F100 I101 E102 W162 W176I94-L98 HydrophobicContact CG2-CD1 4.24Å; I94-L98 HydrophobicContact CG2-CG 4.35Å; I94-L98 WeakPolarHBondContact O-CG 3.32Å; I94-L98 PolarHBondContact O-N 3.27Å; P95-L98 PolarHBondContact O-N 2.91Å; L98-F100 VanDerWaalsContact C-N 3.3Å; L98-F100 PolarHBondContact O-N 3.44Å; L98-I101 PolarHBondContact O-N 2.78Å; L98-E102 WeakPolarHBondContact O-CG 3.46Å; L98-E102 PolarHBondContact O-N 2.65Å; L98-W162 HydrophobicContact CD2-CD2 4.39Å; L98-W162 HydrophobicContact CD2-CE3 3.91Å; L98-W162 HydrophobicContact CD2-CH2 3.72Å; L98-W162 HydrophobicContact CD2-CZ2 4.2Å; L98-W162 HydrophobicContact CD2-CZ3 3.56Å; L98-W162 HydrophobicContact CG-CZ3 4.39Å; L98-W176 HydrophobicContact CD2-CH2 4.41Å; L98-W176 HydrophobicContact CD2-CZ3 3.73Å
99A98.7Very high98.5Very high47 Ų4745.4 Ų45.439%0.38824%0.239SC..Hα-helixtrans-62.1-35.6177.600000113P95 I97 T103P95-A99 PolarHBondContact O-N 3.38Å; P95-A99 VanDerWaalsContact O-N 3.12Å; I97-A99 PolarHBondContact O-N 3.34Å; A99-T103 PolarHBondContact O-N 3.13Å; A99-T103 VanDerWaalsContact O-N 3.09Å; A99-T103 PolarHBondContact O-OG1 2.65Å
100F98.8Very high98.5Very high5 Ų543 Ų432%0.02223%0.23CC..Hα-helixtrans-64.7-47.2175.2-161.1-57.7000110.7D96 I97 L98 T103 L104 I185 V189 Q219 K223D96-F100 WeakPolarHBondContact O-CB 3.44Å; D96-F100 PolarHBondContact O-N 3.35Å; I97-F100 WeakPolarHBondContact O-CB 3.29Å; I97-F100 PolarHBondContact O-N 2.96Å; L98-F100 VanDerWaalsContact C-N 3.3Å; L98-F100 PolarHBondContact O-N 3.44Å; F100-T103 WeakPolarHBondContact O-CB 3.4Å; F100-T103 PolarHBondContact O-N 2.95Å; F100-L104 HydrophobicContact CD1-CD1 3.83Å; F100-L104 HydrophobicContact CD1-CG 4.01Å; F100-L104 HydrophobicContact CE1-CD1 3.83Å; F100-L104 HydrophobicContact CE1-CD2 4.33Å; F100-L104 HydrophobicContact CE1-CG 4.08Å; F100-L104 PolarHBondContact O-N 2.54Å; F100-L104 VanDerWaalsContact O-N 3.08Å; F100-I185 HydrophobicContact CD1-CD1 3.58Å; F100-I185 HydrophobicContact CE1-CD1 3.71Å; F100-I185 HydrophobicContact CG-CD1 4.1Å; F100-I185 HydrophobicContact CZ-CD1 4.27Å; F100-V189 HydrophobicContact CB-CG2 3.67Å; F100-V189 HydrophobicContact CD2-CB 4.24Å; F100-V189 HydrophobicContact CD2-CG2 3.32Å; F100-V189 HydrophobicContact CE2-CG2 4.01Å; F100-V189 HydrophobicContact CG-CG2 3.65Å; F100-Q219 HydrophobicContact CE1-CB 4.18Å; F100-Q219 WeakPolarHBondContact CE1-O 3.37Å; F100-Q219 HydrophobicContact CZ-CB 4.4Å; F100-K223 HydrophobicContact CD1-CB 4.24Å; F100-K223 HydrophobicContact CD1-CD 3.74Å; F100-K223 HydrophobicContact CD1-CG 4.44Å; F100-K223 HydrophobicContact CD2-CD 3.3Å; F100-K223 HydrophobicContact CE1-CB 3.6Å; F100-K223 HydrophobicContact CE1-CD 3.66Å; F100-K223 HydrophobicContact CE1-CG 4.19Å; F100-K223 HydrophobicContact CE2-CB 4.45Å; F100-K223 HydrophobicContact CE2-CD 3.26Å; F100-K223 HydrophobicContact CE2-CG 4.45Å; F100-K223 HydrophobicContact CG-CD 3.58Å; F100-K223 HydrophobicContact CZ-CB 3.76Å; F100-K223 HydrophobicContact CZ-CD 3.46Å; F100-K223 VanDerWaalsContact CZ-CD 3.46Å; F100-K223 HydrophobicContact CZ-CG 4.22Å
101I98.8Very high98.5Very high0 Ų043.7 Ų43.70%023%0.233CC..Hα-helixtrans-63.6-43.4179.1-64.3173.4000110.8I97 L98 T103 L104 I105 V117 L161 W162 W176 I185I97-I101 HydrophobicContact CG2-CD1 3.79Å; I97-I101 HydrophobicContact CG2-CG1 4.32Å; I97-I101 VanDerWaalsContact O-CG1 3.31Å; I97-I101 WeakPolarHBondContact O-CG1 3.44Å; I97-I101 PolarHBondContact O-N 3.24Å; L98-I101 PolarHBondContact O-N 2.78Å; I101-T103 VanDerWaalsContact C-N 3.3Å; I101-T103 PolarHBondContact O-N 2.74Å; I101-L104 WeakPolarHBondContact O-CB 3.28Å; I101-L104 PolarHBondContact O-N 3.21Å; I101-L104 VanDerWaalsContact O-N 3.09Å; I101-I105 HydrophobicContact CG2-CD1 4.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.46Å; I101-I105 PolarHBondContact O-N 2.91Å; I101-V117 HydrophobicContact CG2-CB 4.16Å; I101-V117 HydrophobicContact CG2-CG1 3.62Å; I101-V117 HydrophobicContact CG2-CG2 4.35Å; I101-L161 HydrophobicContact CD1-CB 3.93Å; I101-L161 WeakPolarHBondContact CD1-O 3.35Å; I101-L161 HydrophobicContact CG1-CB 4.03Å; I101-L161 HydrophobicContact CG2-CB 4.43Å; I101-L161 HydrophobicContact CG2-CD1 4.4Å; I101-W162 HydrophobicContact CD1-CB 4.11Å; I101-W162 HydrophobicContact CD1-CE3 4.25Å; I101-W176 HydrophobicContact CB-CH2 3.68Å; I101-W176 HydrophobicContact CB-CZ2 4.48Å; I101-W176 HydrophobicContact CB-CZ3 4.25Å; I101-W176 HydrophobicContact CD1-CZ3 4.43Å; I101-W176 HydrophobicContact CG2-CH2 3.29Å; I101-W176 HydrophobicContact CG2-CZ2 3.78Å; I101-W176 HydrophobicContact CG2-CZ3 3.83Å; I101-I185 HydrophobicContact CG1-CG1 4.14Å
102E98.7Very high98.5Very high79 Ų7945.6 Ų45.637%0.36924%0.241SC..Hα-helixtrans-54.6-47.1173.9-74.7173.6177.800111.3L98 L104 I105 E106 P175 W176L98-E102 WeakPolarHBondContact O-CG 3.46Å; L98-E102 PolarHBondContact O-N 2.65Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.27Å; E102-I105 PolarHBondContact O-N 3.21Å; E102-I105 VanDerWaalsContact O-N 3.13Å; E102-E106 WeakPolarHBondContact O-CG 3.34Å; E102-E106 PolarHBondContact O-N 3.45Å; E102-P175 VanDerWaalsContact OE1-CG 3.31Å; E102-P175 WeakPolarHBondContact OE1-CG 3.35Å; E102-W176 HydrophobicContact CG-CH2 4.13Å; E102-W176 HydrophobicContact CG-CZ2 3.97Å
103T98.7Very high98.5Very high41 Ų4141 Ų4125%0.25222%0.218SC..Hα-helixtrans-59.3-40.3176.9-56.30000112A99 F100 I101 E106 K107 K223A99-T103 PolarHBondContact O-N 3.13Å; A99-T103 VanDerWaalsContact O-N 3.09Å; A99-T103 PolarHBondContact O-OG1 2.65Å; F100-T103 WeakPolarHBondContact O-CB 3.4Å; F100-T103 PolarHBondContact O-N 2.95Å; I101-T103 VanDerWaalsContact C-N 3.3Å; I101-T103 PolarHBondContact O-N 2.74Å; T103-E106 PolarHBondContact O-N 2.94Å; T103-K107 HydrophobicContact CG2-CD 4.26Å; T103-K107 WeakPolarHBondContact O-CB 3.42Å; T103-K107 WeakPolarHBondContact O-CG 3.5Å; T103-K107 PolarHBondContact O-N 3.4Å; T103-K223 HydrophobicContact CG2-CG 4.13Å
104L98.8Very high98.2Very high0 Ų047.8 Ų47.80%025%0.249CC..Hα-helixtrans-67.1-38177-68.7176.4000112.1F100 I101 E102 G108 Y109 A110 Y119 L161 I185 A222 K223F100-L104 HydrophobicContact CD1-CD1 3.83Å; F100-L104 HydrophobicContact CD1-CG 4.01Å; F100-L104 HydrophobicContact CE1-CD1 3.83Å; F100-L104 HydrophobicContact CE1-CD2 4.33Å; F100-L104 HydrophobicContact CE1-CG 4.08Å; F100-L104 PolarHBondContact O-N 2.54Å; F100-L104 VanDerWaalsContact O-N 3.08Å; I101-L104 WeakPolarHBondContact O-CB 3.28Å; I101-L104 PolarHBondContact O-N 3.21Å; I101-L104 VanDerWaalsContact O-N 3.09Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.27Å; L104-G108 PolarHBondContact O-N 3.36Å; L104-G108 VanDerWaalsContact O-N 3.11Å; L104-Y109 PolarHBondContact O-N 3.38Å; L104-A110 HydrophobicContact CB-CB 3.85Å; L104-A110 PolarHBondContact O-N 2.61Å; L104-Y119 HydrophobicContact CD1-CD2 4.18Å; L104-Y119 HydrophobicContact CD1-CE2 4.4Å; L104-Y119 HydrophobicContact CD2-CE2 4.31Å; L104-L161 HydrophobicContact CD1-CD1 3.8Å; L104-L161 HydrophobicContact CD1-CD2 4.47Å; L104-I185 HydrophobicContact CD1-CD1 4.38Å; L104-A222 HydrophobicContact CD2-CB 3.87Å; L104-K223 HydrophobicContact CD2-CB 4.23Å
105I98.6Very high98Very high52 Ų5247.9 Ų47.927%0.26725%0.252SS..Hα-helixtrans-65-47174.5-66.9176.7000110.3I101 E102 K107 G108 A110 V117 W176I101-I105 HydrophobicContact CG2-CD1 4.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.46Å; I101-I105 PolarHBondContact O-N 2.91Å; E102-I105 PolarHBondContact O-N 3.21Å; E102-I105 VanDerWaalsContact O-N 3.13Å; I105-K107 VanDerWaalsContact C-N 3.27Å; I105-K107 PolarHBondContact O-N 2.87Å; I105-G108 VanDerWaalsContact O-CA 3.29Å; I105-G108 WeakPolarHBondContact O-CA 3.35Å; I105-G108 PolarHBondContact O-N 3.08Å; I105-A110 HydrophobicContact CG1-CB 3.68Å; I105-V117 HydrophobicContact CD1-CG1 3.98Å; I105-V117 HydrophobicContact CD1-CG2 4.48Å; I105-V117 HydrophobicContact CG1-CG1 4.26Å; I105-W176 HydrophobicContact CD1-CZ2 3.47Å; I105-W176 VanDerWaalsContact CD1-CZ2 3.47Å
106E98.5Very high97.9Very high162 Ų16244.1 Ų44.176%0.75723%0.227SC*.Hα-helixtrans-58.7-39178.5-73.1179.6172.300112.2E102 T103 G108E102-E106 WeakPolarHBondContact O-CG 3.34Å; E102-E106 PolarHBondContact O-N 3.45Å; T103-E106 PolarHBondContact O-N 2.94Å; E106-G108 PolarHBondContact O-N 3.11Å
107K98.5Very high97.9Very high91 Ų9141.9 Ų41.940%0.39622%0.215SC..THydrogen-bonded Turntrans-78.3-3173.8-68.1-178.7166.5-166.80113.4T103 I105 Y109 K123 A222 K223T103-K107 HydrophobicContact CG2-CD 4.26Å; T103-K107 WeakPolarHBondContact O-CB 3.42Å; T103-K107 WeakPolarHBondContact O-CG 3.5Å; T103-K107 PolarHBondContact O-N 3.4Å; I105-K107 VanDerWaalsContact C-N 3.27Å; I105-K107 PolarHBondContact O-N 2.87Å; K107-Y109 VanDerWaalsContact C-N 3.3Å; K107-Y109 HydrophobicContact CB-CD2 3.76Å; K107-Y109 HydrophobicContact CB-CE2 4.27Å; K107-Y109 PolarHBondContact O-N 2.72Å; K107-K123 PolarHBondContact O-NZ 3.38Å; K107-A222 WeakPolarHBondContact CD-O 3.36Å; K107-A222 PolarHBondContact NZ-O 3.46Å; K107-A222 VanDerWaalsContact NZ-O 3.09Å; K107-K223 PolarHBondContact NZ-O 3.49Å
108G98.3Very high97.9Very high20 Ų2041.9 Ų41.921%0.20622%0.215CC..THydrogen-bonded Turntrans69.718.8-18000000114.9L104 I105 E106 A110 R120 K123L104-G108 PolarHBondContact O-N 3.36Å; L104-G108 VanDerWaalsContact O-N 3.11Å; I105-G108 VanDerWaalsContact O-CA 3.29Å; I105-G108 WeakPolarHBondContact O-CA 3.35Å; I105-G108 PolarHBondContact O-N 3.08Å; E106-G108 PolarHBondContact O-N 3.11Å; G108-A110 VanDerWaalsContact C-N 3.34Å; G108-R120 PolarHBondContact O-NH1 3.24Å; G108-K123 VanDerWaalsContact CA-NZ 3.35Å; G108-K123 WeakPolarHBondContact O-CD 3.33Å; G108-K123 PolarHBondContact O-NZ 3.39Å
109Y98.7Very high97.9Very high56 Ų5640.7 Ų40.722%0.2221%0.209CC..SBendtrans-84.4-10.8171.6-76.5-88000112.6L104 K107 Y119 R120 K123 A222L104-Y109 PolarHBondContact O-N 3.38Å; K107-Y109 VanDerWaalsContact C-N 3.3Å; K107-Y109 HydrophobicContact CB-CD2 3.76Å; K107-Y109 HydrophobicContact CB-CE2 4.27Å; K107-Y109 PolarHBondContact O-N 2.72Å; Y109-Y119 HydrophobicContact CD1-CE2 4.38Å; Y109-Y119 AromaticContact CD1-CZ 3.88Å; Y109-Y119 WeakPolarHBondContact CD1-OH 3.43Å; Y109-Y119 CarbonylContact O-C 3.49Å; Y109-Y119 WeakPolarHBondContact O-CA 3.2Å; Y109-R120 PolarHBondContact O-N 2.95Å; Y109-K123 HydrophobicContact CD1-CB 3.85Å; Y109-K123 HydrophobicContact CD1-CD 3.72Å; Y109-K123 HydrophobicContact CD1-CG 3.81Å; Y109-K123 HydrophobicContact CD2-CD 4.25Å; Y109-K123 HydrophobicContact CE1-CB 3.95Å; Y109-K123 HydrophobicContact CE1-CD 3.89Å; Y109-K123 HydrophobicContact CE1-CG 3.63Å; Y109-K123 WeakPolarHBondContact CE1-O 3.41Å; Y109-K123 HydrophobicContact CE2-CD 4.4Å; Y109-K123 HydrophobicContact CG-CD 3.91Å; Y109-K123 HydrophobicContact CG-CG 4.5Å; Y109-A222 HydrophobicContact CD1-CB 3.72Å; Y109-A222 HydrophobicContact CD2-CB 3.86Å; Y109-A222 HydrophobicContact CE1-CB 3.87Å; Y109-A222 HydrophobicContact CE2-CB 4.01Å; Y109-A222 HydrophobicContact CG-CB 3.71Å
110A98.7Very high97.9Very high2 Ų241.5 Ų41.52%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-134.1162.9176.900000112.2L104 I105 G108 V117 Y118 R120 L161L104-A110 HydrophobicContact CB-CB 3.85Å; L104-A110 PolarHBondContact O-N 2.61Å; I105-A110 HydrophobicContact CG1-CB 3.68Å; G108-A110 VanDerWaalsContact C-N 3.34Å; A110-V117 HydrophobicContact CB-CG1 4.07Å; A110-Y118 CarbonylContact C-O 3.53Å; A110-Y118 WeakPolarHBondContact CA-O 3.42Å; A110-Y118 WeakPolarHBondContact CB-O 3.44Å; A110-R120 PolarHBondContact O-NH1 3.04Å; A110-L161 HydrophobicContact CB-CD1 3.52Å
111Y98.5Very high97.8Very high14 Ų1441.3 Ų41.36%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-150.3149.4175.662.6-81.1000112.4A113 V117 Y118 R120 K153 E154 D158Y111-A113 HydrophobicContact CD2-CB 4.33Å; Y111-A113 HydrophobicContact CE2-CB 4.17Å; Y111-V117 CarbonylContact O-C 3.54Å; Y111-V117 VanDerWaalsContact O-CA 3.31Å; Y111-V117 WeakPolarHBondContact O-CA 3.4Å; Y111-V117 WeakPolarHBondContact O-CG1 3.39Å; Y111-Y118 HydrophobicContact CE2-CD2 4.07Å; Y111-Y118 HydrophobicContact CE2-CG 4.47Å; Y111-Y118 PolarHBondContact N-O 3.19Å; Y111-Y118 PolarHBondContact O-N 3.39Å; Y111-Y118 WeakPolarHBondContact OH-CB 3.49Å; Y111-R120 HydrophobicContact CD1-CG 3.58Å; Y111-R120 HydrophobicContact CE1-CG 3.78Å; Y111-K153 VanDerWaalsContact OH-CA 3.31Å; Y111-K153 WeakPolarHBondContact OH-CA 3.5Å; Y111-E154 HydrophobicContact CD1-CG 4.46Å; Y111-E154 HydrophobicContact CD2-CG 4.12Å; Y111-E154 HydrophobicContact CE1-CB 4.13Å; Y111-E154 HydrophobicContact CE1-CG 4.06Å; Y111-E154 HydrophobicContact CE2-CB 4.33Å; Y111-E154 HydrophobicContact CE2-CG 3.71Å; Y111-E154 PolarHBondContact OH-N 3.34Å; Y111-D158 WeakPolarHBondContact CE1-OD2 3.23Å; Y111-D158 PolarHBondContact OH-OD2 2.86Å
112E97.8Very high97.5Very high91 Ų9146.2 Ų46.243%0.42522%0.219SC..EExtended strand (participates in β ladder)trans-84.9141.9172.9-177.1-80.9144.100110.3H114 G115 D116 V117 W176E112-H114 WeakPolarHBondContact OE1-CA 3.15Å; E112-H114 PolarHBondContact OE1-N 3.41Å; E112-G115 PolarHBondContact OE1-N 2.69Å; E112-D116 CarbonylContact C-O 3.59Å; E112-D116 VanDerWaalsContact CA-O 3.29Å; E112-D116 WeakPolarHBondContact CA-O 3.49Å; E112-V117 HydrophobicContact CB-CG2 4.44Å; E112-W176 HydrophobicContact CB-CG 4.45Å; E112-W176 HydrophobicContact CG-CB 3.92Å; E112-W176 HydrophobicContact CG-CG 3.99Å
113A96.5Very high97.4Very high13 Ų1346.5 Ų46.511%0.10722%0.22CC..EExtended strand (participates in β ladder)trans-148.8106.217200000110.5Y111 G115 D116 Y118Y111-A113 HydrophobicContact CD2-CB 4.33Å; Y111-A113 HydrophobicContact CE2-CB 4.17Å; A113-G115 VanDerWaalsContact C-N 3.31Å; A113-G115 PolarHBondContact O-N 3.18Å; A113-D116 PolarHBondContact N-O 2.8Å; A113-D116 PolarHBondContact O-N 3.01Å; A113-Y118 HydrophobicContact CB-CD2 4.25Å; A113-Y118 HydrophobicContact CB-CE2 4.24Å
114H93.5Very high97.3Very high158 Ų15845.3 Ų45.373%0.73121%0.211SC*.THydrogen-bonded Turntrans5836.6176.9-57.7-72.7000114.8E112 D116E112-H114 WeakPolarHBondContact OE1-CA 3.15Å; E112-H114 PolarHBondContact OE1-N 3.41Å; H114-D116 VanDerWaalsContact C-N 3.33Å
115G94.3Very high97Very high10 Ų1053.3 Ų53.310%0.10325%0.248CC..THydrogen-bonded Turntrans89.8-11.8-179.800000114.6E112 A113 W176E112-G115 PolarHBondContact OE1-N 2.69Å; A113-G115 VanDerWaalsContact C-N 3.31Å; A113-G115 PolarHBondContact O-N 3.18Å; G115-W176 VanDerWaalsContact CA-O 3.28Å; G115-W176 WeakPolarHBondContact CA-O 3.36Å
116D96.5Very high96.7Very high13 Ų1356 Ų567%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-85.6158.5167.7-61.5-29.5000110.3E112 A113 H114 Y118 I152 W162 K163 S164E112-D116 CarbonylContact C-O 3.59Å; E112-D116 VanDerWaalsContact CA-O 3.29Å; E112-D116 WeakPolarHBondContact CA-O 3.49Å; A113-D116 PolarHBondContact N-O 2.8Å; A113-D116 PolarHBondContact O-N 3.01Å; H114-D116 VanDerWaalsContact C-N 3.33Å; D116-Y118 HydrophobicContact CB-CD2 4.23Å; D116-Y118 HydrophobicContact CB-CE2 3.42Å; D116-Y118 VanDerWaalsContact CB-CE2 3.42Å; D116-Y118 PolarHBondContact OD2-OH 3.45Å; D116-I152 WeakPolarHBondContact OD2-CD1 3.36Å; D116-W162 WeakPolarHBondContact CA-O 3.41Å; D116-K163 WeakPolarHBondContact OD1-CA 3.38Å; D116-S164 WeakPolarHBondContact OD1-CB 3.46Å; D116-S164 PolarHBondContact OD1-N 3.11Å; D116-S164 PolarHBondContact OD1-OG 3.38Å
117V98.4Very high96.6Very high0 Ų048.9 Ų48.90%023%0.226CC..EExtended strand (participates in β ladder)trans-125.2131.3168.6-175.70000109.5I101 I105 A110 Y111 E112 L161 W162 W176I101-V117 HydrophobicContact CG2-CB 4.16Å; I101-V117 HydrophobicContact CG2-CG1 3.62Å; I101-V117 HydrophobicContact CG2-CG2 4.35Å; I105-V117 HydrophobicContact CD1-CG1 3.98Å; I105-V117 HydrophobicContact CD1-CG2 4.48Å; I105-V117 HydrophobicContact CG1-CG1 4.26Å; A110-V117 HydrophobicContact CB-CG1 4.07Å; Y111-V117 CarbonylContact O-C 3.54Å; Y111-V117 VanDerWaalsContact O-CA 3.31Å; Y111-V117 WeakPolarHBondContact O-CA 3.4Å; Y111-V117 WeakPolarHBondContact O-CG1 3.39Å; E112-V117 HydrophobicContact CB-CG2 4.44Å; V117-L161 HydrophobicContact CB-CB 4.45Å; V117-L161 HydrophobicContact CG1-CB 4.33Å; V117-L161 HydrophobicContact CG1-CD1 4.26Å; V117-L161 PolarHBondContact O-N 3.47Å; V117-W162 HydrophobicContact CB-CB 3.8Å; V117-W162 HydrophobicContact CG2-CB 3.92Å; V117-W162 PolarHBondContact N-O 3.15Å; V117-W162 PolarHBondContact O-N 2.7Å; V117-W162 VanDerWaalsContact O-N 3.12Å; V117-W176 HydrophobicContact CG2-CB 4.3Å; V117-W176 HydrophobicContact CG2-CD2 3.35Å; V117-W176 HydrophobicContact CG2-CE3 3.55Å; V117-W176 HydrophobicContact CG2-CG 3.67Å; V117-W176 HydrophobicContact CG2-CZ2 4.36Å; V117-W176 HydrophobicContact CG2-CZ3 4.14Å
118Y98.4Very high96.4Very high1 Ų144.7 Ų44.70%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-118.4148-178.6-63.6-81000111.4A110 Y111 A113 D116 I152 K153 F159 A160A110-Y118 CarbonylContact C-O 3.53Å; A110-Y118 WeakPolarHBondContact CA-O 3.42Å; A110-Y118 WeakPolarHBondContact CB-O 3.44Å; Y111-Y118 HydrophobicContact CE2-CD2 4.07Å; Y111-Y118 HydrophobicContact CE2-CG 4.47Å; Y111-Y118 PolarHBondContact N-O 3.19Å; Y111-Y118 PolarHBondContact O-N 3.39Å; Y111-Y118 WeakPolarHBondContact OH-CB 3.49Å; A113-Y118 HydrophobicContact CB-CD2 4.25Å; A113-Y118 HydrophobicContact CB-CE2 4.24Å; D116-Y118 HydrophobicContact CB-CD2 4.23Å; D116-Y118 HydrophobicContact CB-CE2 3.42Å; D116-Y118 VanDerWaalsContact CB-CE2 3.42Å; D116-Y118 PolarHBondContact OD2-OH 3.45Å; Y118-I152 HydrophobicContact CE2-CD1 3.9Å; Y118-I152 HydrophobicContact CE2-CG1 4.15Å; Y118-I152 WeakPolarHBondContact OH-CD1 3.47Å; Y118-K153 HydrophobicContact CD1-CD 4.27Å; Y118-K153 HydrophobicContact CD1-CG 3.88Å; Y118-K153 HydrophobicContact CD2-CG 4.39Å; Y118-K153 HydrophobicContact CE1-CD 4.22Å; Y118-K153 HydrophobicContact CE1-CG 3.87Å; Y118-K153 HydrophobicContact CE2-CG 4.37Å; Y118-K153 HydrophobicContact CG-CG 4.16Å; Y118-F159 CarbonylContact C-O 3.58Å; Y118-F159 WeakPolarHBondContact CA-O 3.49Å; Y118-A160 HydrophobicContact CD1-CB 4.22Å; Y118-A160 HydrophobicContact CE1-CB 4.04Å
119Y98.6Very high96.3Very high0 Ų050.7 Ų50.70%023%0.231CC..EExtended strand (participates in β ladder)trans-86.9134.6170.9-172.3-83.5000110.1L104 Y109 T121 F124 D158 F159 L161 A218 Q219 A222L104-Y119 HydrophobicContact CD1-CD2 4.18Å; L104-Y119 HydrophobicContact CD1-CE2 4.4Å; L104-Y119 HydrophobicContact CD2-CE2 4.31Å; Y109-Y119 HydrophobicContact CD1-CE2 4.38Å; Y109-Y119 AromaticContact CD1-CZ 3.88Å; Y109-Y119 WeakPolarHBondContact CD1-OH 3.43Å; Y109-Y119 CarbonylContact O-C 3.49Å; Y109-Y119 WeakPolarHBondContact O-CA 3.2Å; Y119-T121 PolarHBondContact O-N 3.35Å; Y119-F124 HydrophobicContact CE1-CB 4.27Å; Y119-D158 VanDerWaalsContact O-CA 3.25Å; Y119-D158 WeakPolarHBondContact O-CA 3.43Å; Y119-D158 WeakPolarHBondContact O-CB 3.37Å; Y119-D158 VanDerWaalsContact O-OD1 3.06Å; Y119-F159 VanDerWaalsContact CB-CE2 3.45Å; Y119-F159 HydrophobicContact CD1-CD1 4.5Å; Y119-F159 AromaticContact CD1-CE1 3.54Å; Y119-F159 HydrophobicContact CD1-CE1 3.54Å; Y119-F159 HydrophobicContact CD1-CE2 4.25Å; Y119-F159 AromaticContact CD1-CZ 3.4Å; Y119-F159 HydrophobicContact CD1-CZ 3.4Å; Y119-F159 VanDerWaalsContact CD1-CZ 3.4Å; Y119-F159 HydrophobicContact CD2-CE2 4.37Å; Y119-F159 HydrophobicContact CD2-CZ 4.09Å; Y119-F159 HydrophobicContact CE1-CE1 4.34Å; Y119-F159 HydrophobicContact CE1-CZ 4.15Å; Y119-F159 AromaticContact CG-CE1 3.94Å; Y119-F159 HydrophobicContact CG-CE1 3.94Å; Y119-F159 AromaticContact CG-CE2 3.79Å; Y119-F159 HydrophobicContact CG-CE2 3.79Å; Y119-F159 AromaticContact CG-CZ 3.39Å; Y119-F159 HydrophobicContact CG-CZ 3.39Å; Y119-F159 PolarHBondContact N-O 2.81Å; Y119-L161 HydrophobicContact CD2-CD1 4.34Å; Y119-L161 HydrophobicContact CD2-CD2 4.44Å; Y119-A218 HydrophobicContact CE1-CB 3.94Å; Y119-A218 VanDerWaalsContact OH-C 3.31Å; Y119-A218 PolarHBondContact OH-O 3.25Å; Y119-Q219 HydrophobicContact CD2-CG 4.14Å; Y119-Q219 HydrophobicContact CE2-CG 4.37Å; Y119-A222 HydrophobicContact CE2-CB 4.32Å
120R97.9Very high96.2Very high64 Ų6449.9 Ų49.924%0.24223%0.231CC..  trans-79.690.8174.3-67.9-168.2175.885.52.7110.7G108 Y109 A110 Y111 R122 K123 E154 D158G108-R120 PolarHBondContact O-NH1 3.24Å; Y109-R120 PolarHBondContact O-N 2.95Å; A110-R120 PolarHBondContact O-NH1 3.04Å; Y111-R120 HydrophobicContact CD1-CG 3.58Å; Y111-R120 HydrophobicContact CE1-CG 3.78Å; R120-R122 VanDerWaalsContact C-N 3.31Å; R120-R122 PolarHBondContact O-N 2.82Å; R120-K123 HydrophobicContact CB-CB 4.07Å; R120-K123 WeakPolarHBondContact O-CB 3.46Å; R120-K123 PolarHBondContact O-N 3.18Å; R120-E154 IonicContact CZ-OE1 3.39Å; R120-E154 IonicContact CZ-OE2 3.36Å; R120-E154 IonicContact NE-OE1 2.66Å; R120-E154 IonicContact NE-OE2 3.75Å; R120-E154 PolarHBondContact NE-OE2 3.3Å; R120-E154 IonicContact NH2-OE1 2.65Å; R120-E154 PolarHBondContact NH2-OE1 2.86Å; R120-E154 IonicContact NH2-OE2 3.54Å; R120-E154 PolarHBondContact NH2-OE2 3.3Å; R120-E154 VanDerWaalsContact NH2-OE2 3.15Å; R120-D158 VanDerWaalsContact CA-OD1 3.29Å; R120-D158 WeakPolarHBondContact CA-OD1 3.49Å
121T96.5Very high95.9Very high0 Ų050.6 Ų50.60%024%0.235CC..G310 helixtrans-57.6-43.7-171.8-61.80000112Y119 K123 F124 Y127 L157 D158 F159Y119-T121 PolarHBondContact O-N 3.35Å; T121-K123 PolarHBondContact O-N 3.29Å; T121-K123 VanDerWaalsContact O-N 3.12Å; T121-F124 PolarHBondContact O-N 3.47Å; T121-F124 VanDerWaalsContact O-N 3.1Å; T121-Y127 HydrophobicContact CG2-CD1 3.43Å; T121-Y127 VanDerWaalsContact CG2-CD1 3.43Å; T121-Y127 HydrophobicContact CG2-CD2 3.73Å; T121-Y127 HydrophobicContact CG2-CE1 3.45Å; T121-Y127 VanDerWaalsContact CG2-CE1 3.45Å; T121-Y127 HydrophobicContact CG2-CE2 3.77Å; T121-Y127 HydrophobicContact CG2-CG 3.56Å; T121-L157 HydrophobicContact CG2-CB 3.97Å; T121-L157 PolarHBondContact OG1-O 2.9Å; T121-D158 PolarHBondContact N-OD1 3.34Å; T121-F159 WeakPolarHBondContact OG1-CD1 3.37Å; T121-F159 WeakPolarHBondContact OG1-CE1 3.29Å
122R94.2Very high95.7Very high103 Ų10357.3 Ų57.339%0.38927%0.272SS..G310 helixtrans-66.7-13.6-180-66.1-166.9-173.7-91.60.5115.3R120 I135 E139 D155R120-R122 VanDerWaalsContact C-N 3.31Å; R120-R122 PolarHBondContact O-N 2.82Å; R122-I135 VanDerWaalsContact NH1-CG2 3.35Å; R122-E139 IonicContact CZ-OE2 3.69Å; R122-E139 IonicContact NH2-OE1 2.97Å; R122-E139 PolarHBondContact NH2-OE1 3.4Å; R122-E139 IonicContact NH2-OE2 3.95Å; R122-E139 PolarHBondContact NH2-OE2 3.29Å; R122-D155 WeakPolarHBondContact CD-OD2 3.25Å; R122-D155 IonicContact CZ-OD2 3.29Å; R122-D155 IonicContact NE-OD2 3.68Å; R122-D155 PolarHBondContact NE-OD2 2.72Å; R122-D155 IonicContact NH2-OD2 3Å
123K96.2Very high95.2Very high86 Ų8656.1 Ų56.137%0.37427%0.267SS..G310 helixtrans-76.1-19.6176-162177.3-177.1177.40111.8K107 G108 Y109 R120 T121K107-K123 PolarHBondContact O-NZ 3.38Å; G108-K123 VanDerWaalsContact CA-NZ 3.35Å; G108-K123 WeakPolarHBondContact O-CD 3.33Å; G108-K123 PolarHBondContact O-NZ 3.39Å; Y109-K123 HydrophobicContact CD1-CB 3.85Å; Y109-K123 HydrophobicContact CD1-CD 3.72Å; Y109-K123 HydrophobicContact CD1-CG 3.81Å; Y109-K123 HydrophobicContact CD2-CD 4.25Å; Y109-K123 HydrophobicContact CE1-CB 3.95Å; Y109-K123 HydrophobicContact CE1-CD 3.89Å; Y109-K123 HydrophobicContact CE1-CG 3.63Å; Y109-K123 WeakPolarHBondContact CE1-O 3.41Å; Y109-K123 HydrophobicContact CE2-CD 4.4Å; Y109-K123 HydrophobicContact CG-CD 3.91Å; Y109-K123 HydrophobicContact CG-CG 4.5Å; R120-K123 HydrophobicContact CB-CB 4.07Å; R120-K123 WeakPolarHBondContact O-CB 3.46Å; R120-K123 PolarHBondContact O-N 3.18Å; T121-K123 PolarHBondContact O-N 3.29Å; T121-K123 VanDerWaalsContact O-N 3.12Å
124F96.6Very high94.8Very high15 Ų1558 Ų587%0.06628%0.278CS..SBendtrans-90.8102.4174.4-166.3-110000109.5Y119 T121 H126 Y127 I217 A218 E221Y119-F124 HydrophobicContact CE1-CB 4.27Å; T121-F124 PolarHBondContact O-N 3.47Å; T121-F124 VanDerWaalsContact O-N 3.1Å; F124-H126 HydrophobicContact CE1-CB 4.23Å; F124-H126 PolarHBondContact O-N 3.39Å; F124-H126 VanDerWaalsContact O-N 3.14Å; F124-Y127 HydrophobicContact CD1-CD2 4.32Å; F124-Y127 WeakPolarHBondContact O-CB 3.43Å; F124-Y127 PolarHBondContact O-N 2.94Å; F124-I217 HydrophobicContact CE1-CG2 3.85Å; F124-I217 HydrophobicContact CZ-CG2 3.78Å; F124-A218 HydrophobicContact CB-CB 4.2Å; F124-A218 HydrophobicContact CD1-CB 3.71Å; F124-A218 HydrophobicContact CD2-CB 4.41Å; F124-A218 HydrophobicContact CE1-CB 4.2Å; F124-A218 HydrophobicContact CG-CB 3.84Å; F124-E221 HydrophobicContact CE2-CB 3.88Å; F124-E221 HydrophobicContact CZ-CB 4.11Å
125E92.7Very high94.3Very high169 Ų16952.3 Ų52.379%0.7925%0.253SS*.THydrogen-bonded Turntrans-61-26.3-169.2-64.4-174.6169.700114.1
126H92.4Very high93.7Very high108 Ų10857 Ų5750%0.528%0.276SS..THydrogen-bonded Turntrans-103.217.3-176-56.7-60000113.3F124 G128 E129F124-H126 HydrophobicContact CE1-CB 4.23Å; F124-H126 PolarHBondContact O-N 3.39Å; F124-H126 VanDerWaalsContact O-N 3.14Å; H126-G128 PolarHBondContact O-N 2.89Å; H126-E129 IonicContact CG-OE2 3.71Å; H126-E129 IonicContact ND1-OE2 3.26Å; H126-E129 WeakPolarHBondContact O-CB 3.32Å; H126-E129 PolarHBondContact O-N 2.84Å
127Y96Very high93.1Very high13 Ų1362.7 Ų62.75%0.05130%0.302CS..THydrogen-bonded Turntrans-64127.1179.9-167.2-90.1000111.7T121 F124 I135 L138 F159 F210 E214 N215 A218T121-Y127 HydrophobicContact CG2-CD1 3.43Å; T121-Y127 VanDerWaalsContact CG2-CD1 3.43Å; T121-Y127 HydrophobicContact CG2-CD2 3.73Å; T121-Y127 HydrophobicContact CG2-CE1 3.45Å; T121-Y127 VanDerWaalsContact CG2-CE1 3.45Å; T121-Y127 HydrophobicContact CG2-CE2 3.77Å; T121-Y127 HydrophobicContact CG2-CG 3.56Å; F124-Y127 HydrophobicContact CD1-CD2 4.32Å; F124-Y127 WeakPolarHBondContact O-CB 3.43Å; F124-Y127 PolarHBondContact O-N 2.94Å; Y127-I135 WeakPolarHBondContact O-CG1 3.31Å; Y127-L138 HydrophobicContact CD1-CD1 4.35Å; Y127-L138 HydrophobicContact CE1-CD1 3.98Å; Y127-F159 AromaticContact CE2-CE1 3.94Å; Y127-F159 HydrophobicContact CE2-CE1 3.94Å; Y127-F210 HydrophobicContact CE1-CE2 4.18Å; Y127-E214 HydrophobicContact CD1-CG 4.31Å; Y127-E214 HydrophobicContact CD2-CG 4.02Å; Y127-E214 HydrophobicContact CE1-CG 4.04Å; Y127-E214 HydrophobicContact CE2-CB 4.45Å; Y127-E214 HydrophobicContact CE2-CG 3.73Å; Y127-E214 HydrophobicContact CG-CG 4.3Å; Y127-N215 WeakPolarHBondContact CE2-OD1 3.34Å; Y127-N215 PolarHBondContact OH-OD1 2.85Å; Y127-A218 HydrophobicContact CD2-CB 3.86Å; Y127-A218 HydrophobicContact CE2-CB 4.14Å
128G94.5Very high92.4Very high3 Ų363.5 Ų63.53%0.03131%0.307CS..THydrogen-bonded Turntrans102.1-5.7-177.800000114H126 L130 S131 D132 Q133 E214H126-G128 PolarHBondContact O-N 2.89Å; G128-L130 PolarHBondContact O-N 3.17Å; G128-S131 PolarHBondContact O-N 3.04Å; G128-D132 PolarHBondContact O-N 2.95Å; G128-Q133 PolarHBondContact O-N 3.36Å; G128-Q133 VanDerWaalsContact O-N 3.09Å; G128-E214 WeakPolarHBondContact CA-OE1 3.48Å; G128-E214 WeakPolarHBondContact CA-OE2 3.28Å; G128-E214 PolarHBondContact N-OE1 3.35Å
129E95.3Very high91.5Very high145 Ų14566.8 Ų66.868%0.67832%0.322SS*.THydrogen-bonded Turntrans-67.3-34.4-174.6-173.7175.3161.300112.9H126 E214H126-E129 IonicContact CG-OE2 3.71Å; H126-E129 IonicContact ND1-OE2 3.26Å; H126-E129 WeakPolarHBondContact O-CB 3.32Å; H126-E129 PolarHBondContact O-N 2.84Å; E129-E214 PolarHBondContact N-OE1 2.87Å
130L96.3Very high90.4Very high40 Ų4071 Ų7121%0.20935%0.347CS..THydrogen-bonded Turntrans-65.9-44.3178.1175.165.6000110.9G128 E209 H213 E214 I217 W232G128-L130 PolarHBondContact O-N 3.17Å; L130-E209 HydrophobicContact CD2-CG 4.46Å; L130-E209 HydrophobicContact CG-CG 4.29Å; L130-H213 HydrophobicContact CD2-CB 3.55Å; L130-E214 WeakPolarHBondContact CB-OE2 3.26Å; L130-E214 PolarHBondContact N-OE2 2.91Å; L130-I217 HydrophobicContact CB-CD1 3.79Å; L130-I217 HydrophobicContact CD2-CD1 3.82Å; L130-I217 HydrophobicContact CG-CD1 4.32Å; L130-W232 HydrophobicContact CD1-CB 3.6Å; L130-W232 HydrophobicContact CD1-CD2 4.09Å; L130-W232 HydrophobicContact CD1-CG 3.5Å; L130-W232 HydrophobicContact CD2-CD2 3.84Å; L130-W232 HydrophobicContact CD2-CE3 3.9Å; L130-W232 HydrophobicContact CD2-CG 4.16Å; L130-W232 HydrophobicContact CD2-CZ3 4.4Å; L130-W232 HydrophobicContact CG-CG 4.49Å
131S93.6Very high89.3Confident16 Ų1669.9 Ų69.911%0.11236%0.356CS..THydrogen-bonded Turntrans-91.10.9-173.859.20000115G128 Q133 E214G128-S131 PolarHBondContact O-N 3.04Å; S131-Q133 PolarHBondContact O-N 3.4Å; S131-E214 PolarHBondContact N-OE2 2.87Å; S131-E214 PolarHBondContact OG-OE2 2.94Å
132D92.9Very high88.2Confident155 Ų15569.9 Ų69.983%0.82936%0.356SS*.THydrogen-bonded Turntrans51.938.6-174.1-162.632.8000112.8G128G128-D132 PolarHBondContact O-N 2.95Å
133Q89Confident87.1Confident67 Ų6768.5 Ų68.531%0.31336%0.362SS..  trans-107.3132.8178.6-73.7-17770.700111.1G128 S131 L138 F210G128-Q133 PolarHBondContact O-N 3.36Å; G128-Q133 VanDerWaalsContact O-N 3.09Å; S131-Q133 PolarHBondContact O-N 3.4Å; Q133-L138 HydrophobicContact CB-CD1 4.31Å; Q133-L138 HydrophobicContact CB-CD2 4.32Å; Q133-L138 HydrophobicContact CB-CG 4.28Å; Q133-F210 VanDerWaalsContact NE2-CB 3.33Å
134S86.9Confident86.1Confident51 Ų5171.4 Ų71.436%0.35738%0.377SS..  trans-77.8139.9175.372.20000111.5D136 E137 L138S134-D136 PolarHBondContact O-N 2.99Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.44Å; S134-E137 VanDerWaalsContact O-N 3.15Å; S134-E137 WeakPolarHBondContact OG-CB 3.38Å; S134-E137 WeakPolarHBondContact OG-CG 3.38Å; S134-E137 PolarHBondContact OG-N 3.05Å; S134-E137 PolarHBondContact OG-OE2 2.75Å; S134-L138 WeakPolarHBondContact O-CG 3.37Å; S134-L138 PolarHBondContact O-N 2.87Å; S134-L138 VanDerWaalsContact O-N 3.15Å
135I83Confident85Confident40 Ų4078.3 Ų78.321%0.20540%0.402CS..Hα-helixtrans-54.7-36.8177-68.8177.3000111.6R122 Y127 L138 E139 L157R122-I135 VanDerWaalsContact NH1-CG2 3.35Å; Y127-I135 WeakPolarHBondContact O-CG1 3.31Å; I135-L138 PolarHBondContact O-N 3.2Å; I135-E139 PolarHBondContact O-N 3.25Å; I135-L157 HydrophobicContact CG2-CD1 3.59Å
136D82.6Confident83.7Confident109 Ų10977 Ų7758%0.58341%0.406SS*.Hα-helixtrans-68.2-39-179.3-65.9-16.9000112.2S134 E139 V140S134-D136 PolarHBondContact O-N 2.99Å; D136-E139 PolarHBondContact O-N 3.22Å; D136-V140 WeakPolarHBondContact O-CG2 3.35Å; D136-V140 PolarHBondContact O-N 2.69Å
137E82.8Confident82.8Confident132 Ų13274.1 Ų74.162%0.61741%0.406SS*.Hα-helixtrans-66.3-40.9174.7-74.7165.8155.500111.5S134 E139 V140 G141S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.44Å; S134-E137 VanDerWaalsContact O-N 3.15Å; S134-E137 WeakPolarHBondContact OG-CB 3.38Å; S134-E137 WeakPolarHBondContact OG-CG 3.38Å; S134-E137 PolarHBondContact OG-N 3.05Å; S134-E137 PolarHBondContact OG-OE2 2.75Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 3.28Å; E137-V140 PolarHBondContact O-N 2.63Å; E137-G141 PolarHBondContact O-N 3.34Å
138L83.4Confident81.9Confident17 Ų1777.7 Ų77.79%0.08944%0.438CS..Hα-helixtrans-61.6-39.7175.9-67.6178.7000111.8Y127 Q133 S134 I135 G141 A142 L157 F210Y127-L138 HydrophobicContact CD1-CD1 4.35Å; Y127-L138 HydrophobicContact CE1-CD1 3.98Å; Q133-L138 HydrophobicContact CB-CD1 4.31Å; Q133-L138 HydrophobicContact CB-CD2 4.32Å; Q133-L138 HydrophobicContact CB-CG 4.28Å; S134-L138 WeakPolarHBondContact O-CG 3.37Å; S134-L138 PolarHBondContact O-N 2.87Å; S134-L138 VanDerWaalsContact O-N 3.15Å; I135-L138 PolarHBondContact O-N 3.2Å; L138-G141 PolarHBondContact O-N 2.97Å; L138-A142 VanDerWaalsContact O-CB 3.3Å; L138-A142 WeakPolarHBondContact O-CB 3.35Å; L138-A142 PolarHBondContact O-N 3.1Å; L138-L157 HydrophobicContact CB-CD2 3.63Å; L138-F210 HydrophobicContact CD1-CE2 3.62Å; L138-F210 HydrophobicContact CD1-CZ 3.73Å; L138-F210 HydrophobicContact CD2-CD1 4.48Å; L138-F210 HydrophobicContact CD2-CE1 3.58Å; L138-F210 HydrophobicContact CD2-CE2 3.82Å; L138-F210 HydrophobicContact CD2-CZ 3.2Å; L138-F210 HydrophobicContact CG-CE2 4.38Å; L138-F210 HydrophobicContact CG-CZ 4.08Å
139E80.5Confident81Confident70 Ų7082.1 Ų82.133%0.32746%0.458SS..Hα-helixtrans-63.7-43.1179.8180179.2-172.600111.6R122 I135 D136 E137 G141 A142 S143 P156 L157R122-E139 IonicContact CZ-OE2 3.69Å; R122-E139 IonicContact NH2-OE1 2.97Å; R122-E139 PolarHBondContact NH2-OE1 3.4Å; R122-E139 IonicContact NH2-OE2 3.95Å; R122-E139 PolarHBondContact NH2-OE2 3.29Å; I135-E139 PolarHBondContact O-N 3.25Å; D136-E139 PolarHBondContact O-N 3.22Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 3.28Å; E139-G141 VanDerWaalsContact C-N 3.29Å; E139-G141 PolarHBondContact O-N 3.19Å; E139-A142 PolarHBondContact O-N 3.46Å; E139-S143 VanDerWaalsContact O-CB 3.29Å; E139-S143 WeakPolarHBondContact O-CB 3.43Å; E139-S143 PolarHBondContact O-N 3.17Å; E139-S143 PolarHBondContact O-OG 2.85Å; E139-P156 HydrophobicContact CG-CG 4.36Å; E139-L157 HydrophobicContact CB-CD1 4.37Å; E139-L157 HydrophobicContact CB-CG 4.5Å
140V74.5Confident80.3Confident87 Ų8777.2 Ų77.253%0.52744%0.435SS..Hα-helixtrans-60.1-42.2177.4175.90000110.6D136 E137 S143 Q144D136-V140 WeakPolarHBondContact O-CG2 3.35Å; D136-V140 PolarHBondContact O-N 2.69Å; E137-V140 PolarHBondContact O-N 2.63Å; V140-S143 PolarHBondContact O-OG 3.42Å; V140-S143 VanDerWaalsContact O-OG 3.07Å; V140-Q144 WeakPolarHBondContact O-CG 3.41Å
141G75.7Confident79.7Confident41 Ų4179.4 Ų79.442%0.42346%0.459SS..Hα-helixtrans-68.7-39.3175.400000113.2E137 L138 E139E137-G141 PolarHBondContact O-N 3.34Å; L138-G141 PolarHBondContact O-N 2.97Å; E139-G141 VanDerWaalsContact C-N 3.29Å; E139-G141 PolarHBondContact O-N 3.19Å
142A73.6Confident79.5Confident0 Ų080.9 Ų80.90%047%0.465CS..Hα-helixtrans-72-40.2-177.800000113L138 E139 Q144 R145 P156 L157L138-A142 VanDerWaalsContact O-CB 3.3Å; L138-A142 WeakPolarHBondContact O-CB 3.35Å; L138-A142 PolarHBondContact O-N 3.1Å; E139-A142 PolarHBondContact O-N 3.46Å; A142-Q144 PolarHBondContact O-N 3.36Å; A142-R145 WeakPolarHBondContact O-CB 3.3Å; A142-R145 PolarHBondContact O-N 2.91Å; A142-P156 HydrophobicContact CB-CB 3.94Å; A142-P156 WeakPolarHBondContact CB-O 3.47Å; A142-L157 HydrophobicContact CB-CD2 3.96Å
143S71.3Confident79.6Confident74 Ų7475.6 Ų75.652%0.51744%0.435SS..Hα-helixtrans-65.6-21178.157.90000113.9E139 V140 R145E139-S143 VanDerWaalsContact O-CB 3.29Å; E139-S143 WeakPolarHBondContact O-CB 3.43Å; E139-S143 PolarHBondContact O-N 3.17Å; E139-S143 PolarHBondContact O-OG 2.85Å; V140-S143 PolarHBondContact O-OG 3.42Å; V140-S143 VanDerWaalsContact O-OG 3.07Å; S143-R145 VanDerWaalsContact C-N 3.31Å
144Q74.4Confident79.8Confident147 Ų14778 Ų7869%0.68745%0.446SS*.THydrogen-bonded Turntrans-77.8-13.4173.5-71.1-178.64.300113.6V140 A142V140-Q144 WeakPolarHBondContact O-CG 3.41Å; A142-Q144 PolarHBondContact O-N 3.36Å
145R73.2Confident80.1Confident160 Ų16076.9 Ų76.960%0.60444%0.436SS*.  trans-73.8128.6177.7-67.6-173.1-98.5-150.5-7.7110A142 S143A142-R145 WeakPolarHBondContact O-CB 3.3Å; A142-R145 PolarHBondContact O-N 2.91Å; S143-R145 VanDerWaalsContact C-N 3.31Å
146T66.1Low80.5Confident141 Ų14176.3 Ų76.387%0.86544%0.435SS*.  trans-104.2132.2175590000110.3
147G73.6Confident80.9Confident48 Ų4872 Ų7250%0.49541%0.411SS..SBendtrans172.6164.317500000113.4E149 Q150G147-E149 VanDerWaalsContact C-N 3.34Å; G147-E149 PolarHBondContact O-N 3Å; G147-Q150 WeakPolarHBondContact O-CB 3.47Å; G147-Q150 PolarHBondContact O-N 3.01Å; G147-Q150 VanDerWaalsContact O-N 3.16Å
148A76.6Confident81.6Confident88 Ų8865.9 Ų65.973%0.72738%0.383SS*.Hα-helixtrans-62.6-39.517800000112.2Q150 A151A148-Q150 PolarHBondContact O-N 2.77Å; A148-A151 PolarHBondContact O-N 3.04Å
149E76.2Confident82.2Confident96 Ų9665.9 Ų65.945%0.44938%0.383SS..Hα-helixtrans-58.3-33.7174.5-67.9-176.6168.100111.8G147 A151 I152 K153 K163G147-E149 VanDerWaalsContact C-N 3.34Å; G147-E149 PolarHBondContact O-N 3Å; E149-A151 VanDerWaalsContact C-N 3.3Å; E149-A151 PolarHBondContact O-N 3.17Å; E149-I152 VanDerWaalsContact O-CG1 3.29Å; E149-I152 WeakPolarHBondContact O-CG1 3.34Å; E149-K153 WeakPolarHBondContact O-CG 3.17Å; E149-K163 IonicContact OE1-NZ 2.8Å
150Q80.6Confident82.9Confident42 Ų4263.2 Ų63.220%0.19637%0.373CS..Hα-helixtrans-73.6-22.7-177-166.449.263.900113G147 A148G147-Q150 WeakPolarHBondContact O-CB 3.47Å; G147-Q150 PolarHBondContact O-N 3.01Å; G147-Q150 VanDerWaalsContact O-N 3.16Å; A148-Q150 PolarHBondContact O-N 2.77Å
151A83.5Confident84.1Confident86 Ų8659.1 Ų59.171%0.71135%0.347SS*.Hα-helixtrans-82.3-17.2-177.900000113.6A148 E149A148-A151 PolarHBondContact O-N 3.04Å; E149-A151 VanDerWaalsContact C-N 3.3Å; E149-A151 PolarHBondContact O-N 3.17Å
152I89Confident85.2Confident48 Ų4857.1 Ų57.125%0.24633%0.327CS..Hα-helixtrans-103-9.4-17761.4169.7000113.3D116 Y118 E149D116-I152 WeakPolarHBondContact OD2-CD1 3.36Å; Y118-I152 HydrophobicContact CE2-CD1 3.9Å; Y118-I152 HydrophobicContact CE2-CG1 4.15Å; Y118-I152 WeakPolarHBondContact OH-CD1 3.47Å; E149-I152 VanDerWaalsContact O-CG1 3.29Å; E149-I152 WeakPolarHBondContact O-CG1 3.34Å
153K94.1Very high86.2Confident43 Ų4359 Ų5919%0.18734%0.335CS..  trans-77145.8176-67.9171.9-178.4-170.40111.3Y111 Y118 E149 D155 D158Y111-K153 VanDerWaalsContact OH-CA 3.31Å; Y111-K153 WeakPolarHBondContact OH-CA 3.5Å; Y118-K153 HydrophobicContact CD1-CD 4.27Å; Y118-K153 HydrophobicContact CD1-CG 3.88Å; Y118-K153 HydrophobicContact CD2-CG 4.39Å; Y118-K153 HydrophobicContact CE1-CD 4.22Å; Y118-K153 HydrophobicContact CE1-CG 3.87Å; Y118-K153 HydrophobicContact CE2-CG 4.37Å; Y118-K153 HydrophobicContact CG-CG 4.16Å; E149-K153 WeakPolarHBondContact O-CG 3.17Å; K153-D155 VanDerWaalsContact C-N 3.35Å; K153-D155 WeakPolarHBondContact CB-O 3.17Å; K153-D158 HydrophobicContact CB-CB 4.49Å; K153-D158 HydrophobicContact CD-CB 4.44Å; K153-D158 WeakPolarHBondContact CD-O 3.35Å; K153-D158 WeakPolarHBondContact CE-O 3.36Å; K153-D158 PolarHBondContact NZ-O 3.4Å
154E94.7Very high87.4Confident119 Ų11958 Ų5856%0.55633%0.328SS*.SBendtrans-68.1-38.5171.3-70.1179.3-174.400110.3Y111 R120Y111-E154 HydrophobicContact CD1-CG 4.46Å; Y111-E154 HydrophobicContact CD2-CG 4.12Å; Y111-E154 HydrophobicContact CE1-CB 4.13Å; Y111-E154 HydrophobicContact CE1-CG 4.06Å; Y111-E154 HydrophobicContact CE2-CB 4.33Å; Y111-E154 HydrophobicContact CE2-CG 3.71Å; Y111-E154 PolarHBondContact OH-N 3.34Å; R120-E154 IonicContact CZ-OE1 3.39Å; R120-E154 IonicContact CZ-OE2 3.36Å; R120-E154 IonicContact NE-OE1 2.66Å; R120-E154 IonicContact NE-OE2 3.75Å; R120-E154 PolarHBondContact NE-OE2 3.3Å; R120-E154 IonicContact NH2-OE1 2.65Å; R120-E154 PolarHBondContact NH2-OE1 2.86Å; R120-E154 IonicContact NH2-OE2 3.54Å; R120-E154 PolarHBondContact NH2-OE2 3.3Å; R120-E154 VanDerWaalsContact NH2-OE2 3.15Å
155D92.7Very high88.2Confident26 Ų2652.4 Ų52.414%0.13931%0.308CS..SBendtrans-133.4143.6177.3-167.8-65.9000112R122 K153 L157 D158R122-D155 WeakPolarHBondContact CD-OD2 3.25Å; R122-D155 IonicContact CZ-OD2 3.29Å; R122-D155 IonicContact NE-OD2 3.68Å; R122-D155 PolarHBondContact NE-OD2 2.72Å; R122-D155 IonicContact NH2-OD2 3Å; K153-D155 VanDerWaalsContact C-N 3.35Å; K153-D155 WeakPolarHBondContact CB-O 3.17Å; D155-L157 PolarHBondContact O-N 3.03Å; D155-L157 VanDerWaalsContact OD1-CB 3.3Å; D155-L157 WeakPolarHBondContact OD1-CB 3.19Å; D155-L157 PolarHBondContact OD1-N 3.29Å; D155-D158 WeakPolarHBondContact CB-OD2 3.3Å; D155-D158 PolarHBondContact N-OD2 2.7Å; D155-D158 WeakPolarHBondContact O-CB 3.44Å; D155-D158 PolarHBondContact O-N 3Å
156P91.3Very high89Confident29 Ų2951.1 Ų51.119%0.18831%0.306CS..THydrogen-bonded Turntrans-59.7-22.7174.826-36.6000116.1E139 A142 D158E139-P156 HydrophobicContact CG-CG 4.36Å; A142-P156 HydrophobicContact CB-CB 3.94Å; A142-P156 WeakPolarHBondContact CB-O 3.47Å; P156-D158 VanDerWaalsContact C-N 3.33Å
157L92Very high90Very high17 Ų1749.7 Ų49.79%0.08930%0.3CS..THydrogen-bonded Turntrans-79.8-15175.2-64.1178.5000113.4T121 I135 L138 E139 A142 D155 F159T121-L157 HydrophobicContact CG2-CB 3.97Å; T121-L157 PolarHBondContact OG1-O 2.9Å; I135-L157 HydrophobicContact CG2-CD1 3.59Å; L138-L157 HydrophobicContact CB-CD2 3.63Å; E139-L157 HydrophobicContact CB-CD1 4.37Å; E139-L157 HydrophobicContact CB-CG 4.5Å; A142-L157 HydrophobicContact CB-CD2 3.96Å; D155-L157 PolarHBondContact O-N 3.03Å; D155-L157 VanDerWaalsContact OD1-CB 3.3Å; D155-L157 WeakPolarHBondContact OD1-CB 3.19Å; D155-L157 PolarHBondContact OD1-N 3.29Å; L157-F159 PolarHBondContact O-N 2.93Å
158D95.9Very high90.5Very high5 Ų555.4 Ų55.43%0.02732%0.319CS..  trans-65.6135.8-178.1-66.1-17000110.6Y111 Y119 R120 T121 K153 D155 P156Y111-D158 WeakPolarHBondContact CE1-OD2 3.23Å; Y111-D158 PolarHBondContact OH-OD2 2.86Å; Y119-D158 VanDerWaalsContact O-CA 3.25Å; Y119-D158 WeakPolarHBondContact O-CA 3.43Å; Y119-D158 WeakPolarHBondContact O-CB 3.37Å; Y119-D158 VanDerWaalsContact O-OD1 3.06Å; R120-D158 VanDerWaalsContact CA-OD1 3.29Å; R120-D158 WeakPolarHBondContact CA-OD1 3.49Å; T121-D158 PolarHBondContact N-OD1 3.34Å; K153-D158 HydrophobicContact CB-CB 4.49Å; K153-D158 HydrophobicContact CD-CB 4.44Å; K153-D158 WeakPolarHBondContact CD-O 3.35Å; K153-D158 WeakPolarHBondContact CE-O 3.36Å; K153-D158 PolarHBondContact NZ-O 3.4Å; D155-D158 WeakPolarHBondContact CB-OD2 3.3Å; D155-D158 PolarHBondContact N-OD2 2.7Å; D155-D158 WeakPolarHBondContact O-CB 3.44Å; D155-D158 PolarHBondContact O-N 3Å; P156-D158 VanDerWaalsContact C-N 3.33Å
159F96Very high91.1Very high17 Ų1752.3 Ų52.38%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-118.9151.4-176.456.6-94.1000111.7Y118 Y119 T121 Y127 L157 L161 N215 A218 Q219Y118-F159 CarbonylContact C-O 3.58Å; Y118-F159 WeakPolarHBondContact CA-O 3.49Å; Y119-F159 VanDerWaalsContact CB-CE2 3.45Å; Y119-F159 HydrophobicContact CD1-CD1 4.5Å; Y119-F159 AromaticContact CD1-CE1 3.54Å; Y119-F159 HydrophobicContact CD1-CE1 3.54Å; Y119-F159 HydrophobicContact CD1-CE2 4.25Å; Y119-F159 AromaticContact CD1-CZ 3.4Å; Y119-F159 HydrophobicContact CD1-CZ 3.4Å; Y119-F159 VanDerWaalsContact CD1-CZ 3.4Å; Y119-F159 HydrophobicContact CD2-CE2 4.37Å; Y119-F159 HydrophobicContact CD2-CZ 4.09Å; Y119-F159 HydrophobicContact CE1-CE1 4.34Å; Y119-F159 HydrophobicContact CE1-CZ 4.15Å; Y119-F159 AromaticContact CG-CE1 3.94Å; Y119-F159 HydrophobicContact CG-CE1 3.94Å; Y119-F159 AromaticContact CG-CE2 3.79Å; Y119-F159 HydrophobicContact CG-CE2 3.79Å; Y119-F159 AromaticContact CG-CZ 3.39Å; Y119-F159 HydrophobicContact CG-CZ 3.39Å; Y119-F159 PolarHBondContact N-O 2.81Å; T121-F159 WeakPolarHBondContact OG1-CD1 3.37Å; T121-F159 WeakPolarHBondContact OG1-CE1 3.29Å; Y127-F159 AromaticContact CE2-CE1 3.94Å; Y127-F159 HydrophobicContact CE2-CE1 3.94Å; L157-F159 PolarHBondContact O-N 2.93Å; F159-L161 HydrophobicContact CD2-CD2 4.44Å; F159-L161 HydrophobicContact CE2-CD2 4.07Å; F159-N215 WeakPolarHBondContact CD1-OD1 3.29Å; F159-N215 HydrophobicContact CD2-CB 4.2Å; F159-N215 HydrophobicContact CE1-CB 4.19Å; F159-N215 WeakPolarHBondContact CE1-OD1 3.41Å; F159-N215 HydrophobicContact CE2-CB 3.76Å; F159-N215 HydrophobicContact CZ-CB 3.75Å; F159-N215 WeakPolarHBondContact CZ-OD1 3.47Å; F159-A218 HydrophobicContact CZ-CB 4.49Å; F159-Q219 HydrophobicContact CE2-CG 4.01Å; F159-Q219 HydrophobicContact CZ-CG 4.32Å
160A96.6Very high91.9Very high14 Ų1450 Ų5012%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-72.9130.9-173.800000111.8Y118 K163Y118-A160 HydrophobicContact CD1-CB 4.22Å; Y118-A160 HydrophobicContact CE1-CB 4.04Å; A160-K163 HydrophobicContact CB-CD 4.44Å; A160-K163 HydrophobicContact CB-CG 3.92Å
161L98.4Very high92.6Very high0 Ų050 Ų500%028%0.284CS..EExtended strand (participates in β ladder)trans-98.2-36.9167.3-60.1179.5000111.2I101 L104 A110 V117 Y119 F159 G182 I185 Q219I101-L161 HydrophobicContact CD1-CB 3.93Å; I101-L161 WeakPolarHBondContact CD1-O 3.35Å; I101-L161 HydrophobicContact CG1-CB 4.03Å; I101-L161 HydrophobicContact CG2-CB 4.43Å; I101-L161 HydrophobicContact CG2-CD1 4.4Å; L104-L161 HydrophobicContact CD1-CD1 3.8Å; L104-L161 HydrophobicContact CD1-CD2 4.47Å; A110-L161 HydrophobicContact CB-CD1 3.52Å; V117-L161 HydrophobicContact CB-CB 4.45Å; V117-L161 HydrophobicContact CG1-CB 4.33Å; V117-L161 HydrophobicContact CG1-CD1 4.26Å; V117-L161 PolarHBondContact O-N 3.47Å; Y119-L161 HydrophobicContact CD2-CD1 4.34Å; Y119-L161 HydrophobicContact CD2-CD2 4.44Å; F159-L161 HydrophobicContact CD2-CD2 4.44Å; F159-L161 HydrophobicContact CE2-CD2 4.07Å; L161-G182 PolarHBondContact O-N 2.77Å; L161-I185 HydrophobicContact CD2-CB 4.26Å; L161-I185 HydrophobicContact CD2-CD1 4.23Å; L161-I185 HydrophobicContact CD2-CG1 4.45Å; L161-I185 VanDerWaalsContact O-CG2 3.29Å; L161-I185 WeakPolarHBondContact O-CG2 3.44Å; L161-Q219 HydrophobicContact CD2-CG 3.93Å
162W98.3Very high93.3Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-137.3140176.2-170.1-103.5000109.3I94 L98 I101 D116 V117 W172 S174 W176 G179 R180I94-W162 HydrophobicContact CG2-CH2 4.42Å; L98-W162 HydrophobicContact CD2-CD2 4.39Å; L98-W162 HydrophobicContact CD2-CE3 3.91Å; L98-W162 HydrophobicContact CD2-CH2 3.72Å; L98-W162 HydrophobicContact CD2-CZ2 4.2Å; L98-W162 HydrophobicContact CD2-CZ3 3.56Å; L98-W162 HydrophobicContact CG-CZ3 4.39Å; I101-W162 HydrophobicContact CD1-CB 4.11Å; I101-W162 HydrophobicContact CD1-CE3 4.25Å; D116-W162 WeakPolarHBondContact CA-O 3.41Å; V117-W162 HydrophobicContact CB-CB 3.8Å; V117-W162 HydrophobicContact CG2-CB 3.92Å; V117-W162 PolarHBondContact N-O 3.15Å; V117-W162 PolarHBondContact O-N 2.7Å; V117-W162 VanDerWaalsContact O-N 3.12Å; W162-W172 HydrophobicContact CH2-CB 4.22Å; W162-W172 WeakPolarHBondContact CZ2-O 3.04Å; W162-S174 PolarHBondContact NE1-OG 2.96Å; W162-W176 HydrophobicContact CB-CE3 4.37Å; W162-W176 HydrophobicContact CB-CZ3 4.49Å; W162-W176 HydrophobicContact CD2-CE3 4.47Å; W162-W176 HydrophobicContact CD2-CZ3 4.49Å; W162-W176 HydrophobicContact CG-CE3 4.06Å; W162-W176 HydrophobicContact CG-CZ3 4.35Å; W162-G179 WeakPolarHBondContact CZ2-O 3.49Å; W162-R180 VanDerWaalsContact CE3-C 3.47Å
163K96Very high93.7Very high39 Ų3953.6 Ų53.617%0.1728%0.283CS..EExtended strand (participates in β ladder)trans-122125.4177.8-64.4-171.6176.2-1600109.7D48 D116 E149 A160 G179 R180D48-K163 IonicContact OD2-NZ 3.44Å; D116-K163 WeakPolarHBondContact OD1-CA 3.38Å; E149-K163 IonicContact OE1-NZ 2.8Å; A160-K163 HydrophobicContact CB-CD 4.44Å; A160-K163 HydrophobicContact CB-CG 3.92Å; K163-G179 CarbonylContact O-C 3.44Å; K163-G179 WeakPolarHBondContact O-CA 3.24Å; K163-R180 HydrophobicContact CB-CG 4.41Å; K163-R180 PolarHBondContact N-O 3.37Å; K163-R180 PolarHBondContact O-N 3.14Å
164S95.3Very high93.9Very high52 Ų5252.2 Ų52.236%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-55.3138.7170.756.20000111D116D116-S164 WeakPolarHBondContact OD1-CB 3.46Å; D116-S164 PolarHBondContact OD1-N 3.11Å; D116-S164 PolarHBondContact OD1-OG 3.38Å
165A92.2Very high94Very high31 Ų3150.7 Ų50.726%0.25628%0.279SS..PPolyproline II helixtrans-78.2141.3-176.500000111.5S171 E178A165-S171 VanDerWaalsContact CB-CB 3.44Å; A165-E178 HydrophobicContact CB-CB 4.48Å; A165-E178 PolarHBondContact N-O 3.32Å
166K89.8Confident94.2Very high132 Ų13251.5 Ų51.557%0.57428%0.28SS*.PPolyproline II helixtrans-81.8159.7164.7-61.4171.2-172.8160.30109.6D168 E169K166-D168 PolarHBondContact O-N 2.97Å; K166-E169 HydrophobicContact CB-CG 4.13Å; K166-E169 PolarHBondContact O-N 3.49Å
167P86.4Confident94.4Very high112 Ų11251.8 Ų51.873%0.72729%0.289SS*.THydrogen-bonded Turntrans-51.7138.7174-26.434.8000112.1E169P167-E169 PolarHBondContact O-N 3.41Å
168D84.6Confident94.6Very high167 Ų16755.5 Ų55.589%0.89331%0.306SS*.THydrogen-bonded Turntrans63.614.1178.1-47.8-49.2000115.6K166K166-D168 PolarHBondContact O-N 2.97Å
169E90.1Very high94.7Very high24 Ų2455.3 Ų55.311%0.11230%0.304CS..SBendtrans-93.2150.4171-63.4-171.8166.100111.5I51 K55 K166 P167 S171I51-E169 HydrophobicContact CD1-CB 4.34Å; I51-E169 HydrophobicContact CG2-CG 3.88Å; K55-E169 IonicContact NZ-OE1 3.01Å; K55-E169 PolarHBondContact NZ-OE1 3.47Å; K166-E169 HydrophobicContact CB-CG 4.13Å; K166-E169 PolarHBondContact O-N 3.49Å; P167-E169 PolarHBondContact O-N 3.41Å; E169-S171 PolarHBondContact O-N 3.01Å; E169-S171 PolarHBondContact O-OG 3.38Å
170I92.1Very high94.7Very high46 Ų4655 Ų5524%0.23630%0.303CS..  trans-60132.4172.3-177.4163.8000109.5I51 A61 P62 W172I51-I170 HydrophobicContact CD1-CG2 4.36Å; I51-I170 HydrophobicContact CG1-CG2 4.08Å; A61-I170 HydrophobicContact CB-CB 4.36Å; A61-I170 HydrophobicContact CB-CD1 4.47Å; A61-I170 HydrophobicContact CB-CG2 3.83Å; P62-I170 HydrophobicContact CG-CD1 3.82Å; I170-W172 HydrophobicContact CD1-CH2 3.67Å; I170-W172 HydrophobicContact CD1-CZ2 3.82Å; I170-W172 HydrophobicContact CG1-CH2 3.57Å; I170-W172 HydrophobicContact CG1-CZ2 3.93Å; I170-W172 HydrophobicContact CG1-CZ3 4.06Å
171S96.4Very high94.8Very high43 Ų4354.4 Ų54.430%0.30130%0.297SS..  trans-155.6163.1-172.945.80000111.7A165 E169 G179A165-S171 VanDerWaalsContact CB-CB 3.44Å; E169-S171 PolarHBondContact O-N 3.01Å; E169-S171 PolarHBondContact O-OG 3.38Å; S171-G179 CarbonylContact C-O 3.57Å; S171-G179 VanDerWaalsContact CA-O 3.27Å; S171-G179 WeakPolarHBondContact CA-O 3.34Å
172W97.7Very high94.7Very high51 Ų5154.5 Ų54.519%0.19330%0.298CS..BIsolated β-bridgetrans-133.3149.2176.8-62.9-95.8000110.1V46 I91 I94 W162 I170 E178 G179 R180V46-W172 HydrophobicContact CB-CH2 4.35Å; V46-W172 HydrophobicContact CG1-CH2 3.86Å; V46-W172 HydrophobicContact CG1-CZ3 3.68Å; V46-W172 HydrophobicContact CG2-CH2 3.48Å; V46-W172 VanDerWaalsContact CG2-CH2 3.48Å; V46-W172 HydrophobicContact CG2-CZ2 4.29Å; V46-W172 HydrophobicContact CG2-CZ3 4.12Å; I91-W172 HydrophobicContact CB-CZ2 4.48Å; I91-W172 HydrophobicContact CD1-CZ2 4.07Å; I91-W172 HydrophobicContact CG1-CZ2 3.83Å; I94-W172 HydrophobicContact CB-CG 4.42Å; I94-W172 HydrophobicContact CD1-CD2 3.94Å; I94-W172 HydrophobicContact CD1-CE3 3.99Å; I94-W172 HydrophobicContact CD1-CH2 4.39Å; I94-W172 HydrophobicContact CD1-CZ2 4.32Å; I94-W172 HydrophobicContact CD1-CZ3 4.22Å; I94-W172 HydrophobicContact CG1-CD2 3.87Å; I94-W172 HydrophobicContact CG1-CE3 4.44Å; I94-W172 HydrophobicContact CG1-CG 4.1Å; I94-W172 HydrophobicContact CG1-CZ2 4.25Å; I94-W172 HydrophobicContact CG2-CB 3.87Å; I94-W172 HydrophobicContact CG2-CD2 4.28Å; I94-W172 HydrophobicContact CG2-CG 3.77Å; W162-W172 HydrophobicContact CH2-CB 4.22Å; W162-W172 WeakPolarHBondContact CZ2-O 3.04Å; I170-W172 HydrophobicContact CD1-CH2 3.67Å; I170-W172 HydrophobicContact CD1-CZ2 3.82Å; I170-W172 HydrophobicContact CG1-CH2 3.57Å; I170-W172 HydrophobicContact CG1-CZ2 3.93Å; I170-W172 HydrophobicContact CG1-CZ3 4.06Å; W172-E178 WeakPolarHBondContact O-CA 3.39Å; W172-G179 PolarHBondContact N-O 3.31Å; W172-G179 PolarHBondContact O-N 3.41Å; W172-R180 HydrophobicContact CE3-CB 4.18Å; W172-R180 HydrophobicContact CZ3-CB 3.93Å
173E97.3Very high94.6Very high158 Ų15858.6 Ų58.674%0.73831%0.314SS*.  trans-63.2135.5172.3-171.1177.7-177.400110.3E178E173-E178 WeakPolarHBondContact CA-OE1 3.48Å; E173-E178 WeakPolarHBondContact CB-OE1 3.48Å; E173-E178 PolarHBondContact N-OE2 3.25Å
174S97.6Very high94.7Very high14 Ų1457.8 Ų57.810%0.09831%0.311CS..  trans-141.4165173.383.60000110.6W162 W176 G177W162-S174 PolarHBondContact NE1-OG 2.96Å; S174-W176 PolarHBondContact O-N 2.7Å; S174-W176 PolarHBondContact OG-N 2.93Å; S174-G177 WeakPolarHBondContact CB-O 3.42Å; S174-G177 PolarHBondContact N-O 3.31Å; S174-G177 PolarHBondContact O-N 2.78Å; S174-G177 PolarHBondContact OG-N 3.28Å; S174-G177 PolarHBondContact OG-O 3.21Å
175P97Very high94.8Very high88 Ų8855.3 Ų55.357%0.57129%0.293SS*.THydrogen-bonded Turntrans-56.5-20.3173.4-24.233.9000114.5E102E102-P175 VanDerWaalsContact OE1-CG 3.31Å; E102-P175 WeakPolarHBondContact OE1-CG 3.35Å
176W96.8Very high95.1Very high42 Ų4253.8 Ų53.816%0.15928%0.281CS..THydrogen-bonded Turntrans-102.93-177.6-40-69.3000112.6L98 I101 E102 I105 E112 G115 V117 W162 S174L98-W176 HydrophobicContact CD2-CH2 4.41Å; L98-W176 HydrophobicContact CD2-CZ3 3.73Å; I101-W176 HydrophobicContact CB-CH2 3.68Å; I101-W176 HydrophobicContact CB-CZ2 4.48Å; I101-W176 HydrophobicContact CB-CZ3 4.25Å; I101-W176 HydrophobicContact CD1-CZ3 4.43Å; I101-W176 HydrophobicContact CG2-CH2 3.29Å; I101-W176 HydrophobicContact CG2-CZ2 3.78Å; I101-W176 HydrophobicContact CG2-CZ3 3.83Å; E102-W176 HydrophobicContact CG-CH2 4.13Å; E102-W176 HydrophobicContact CG-CZ2 3.97Å; I105-W176 HydrophobicContact CD1-CZ2 3.47Å; I105-W176 VanDerWaalsContact CD1-CZ2 3.47Å; E112-W176 HydrophobicContact CB-CG 4.45Å; E112-W176 HydrophobicContact CG-CB 3.92Å; E112-W176 HydrophobicContact CG-CG 3.99Å; G115-W176 VanDerWaalsContact CA-O 3.28Å; G115-W176 WeakPolarHBondContact CA-O 3.36Å; V117-W176 HydrophobicContact CG2-CB 4.3Å; V117-W176 HydrophobicContact CG2-CD2 3.35Å; V117-W176 HydrophobicContact CG2-CE3 3.55Å; V117-W176 HydrophobicContact CG2-CG 3.67Å; V117-W176 HydrophobicContact CG2-CZ2 4.36Å; V117-W176 HydrophobicContact CG2-CZ3 4.14Å; W162-W176 HydrophobicContact CB-CE3 4.37Å; W162-W176 HydrophobicContact CB-CZ3 4.49Å; W162-W176 HydrophobicContact CD2-CE3 4.47Å; W162-W176 HydrophobicContact CD2-CZ3 4.49Å; W162-W176 HydrophobicContact CG-CE3 4.06Å; W162-W176 HydrophobicContact CG-CZ3 4.35Å; S174-W176 PolarHBondContact O-N 2.7Å; S174-W176 PolarHBondContact OG-N 2.93Å
177G95.6Very high95.5Very high35 Ų3547.6 Ų47.636%0.36125%0.254SS..  trans109.6176.9-176.600000113.6S174 G179S174-G177 WeakPolarHBondContact CB-O 3.42Å; S174-G177 PolarHBondContact N-O 3.31Å; S174-G177 PolarHBondContact O-N 2.78Å; S174-G177 PolarHBondContact OG-N 3.28Å; S174-G177 PolarHBondContact OG-O 3.21Å; G177-G179 PolarHBondContact O-N 3.07Å
178E96.8Very high96.1Very high96 Ų9642.2 Ų42.245%0.44922%0.22SC..SBendtrans-62.9130178.5-69.4-65.7144.600111.2A165 W172 E173A165-E178 HydrophobicContact CB-CB 4.48Å; A165-E178 PolarHBondContact N-O 3.32Å; W172-E178 WeakPolarHBondContact O-CA 3.39Å; E173-E178 WeakPolarHBondContact CA-OE1 3.48Å; E173-E178 WeakPolarHBondContact CB-OE1 3.48Å; E173-E178 PolarHBondContact N-OE2 3.25Å
179G97.4Very high96.8Very high0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-170.2-163.2-177.600000113.8W162 K163 S171 W172 G177W162-G179 WeakPolarHBondContact CZ2-O 3.49Å; K163-G179 CarbonylContact O-C 3.44Å; K163-G179 WeakPolarHBondContact O-CA 3.24Å; S171-G179 CarbonylContact C-O 3.57Å; S171-G179 VanDerWaalsContact CA-O 3.27Å; S171-G179 WeakPolarHBondContact CA-O 3.34Å; W172-G179 PolarHBondContact N-O 3.31Å; W172-G179 PolarHBondContact O-N 3.41Å; G177-G179 PolarHBondContact O-N 3.07Å
180R97.3Very high97.2Very high12 Ų1233.3 Ų33.35%0.04517%0.173CC..EExtended strand (participates in β ladder)trans-147.4157.5179.660.6176.4-174.773.1-0.5110.2V46 D48 W162 K163 W172V46-R180 HydrophobicContact CG1-CB 4.03Å; D48-R180 IonicContact OD1-CZ 3.93Å; D48-R180 IonicContact OD1-NH2 3.06Å; D48-R180 PolarHBondContact OD1-NH2 3.39Å; D48-R180 IonicContact OD2-CZ 2.89Å; D48-R180 IonicContact OD2-NH2 2.7Å; D48-R180 PolarHBondContact OD2-NH2 3.11Å; W162-R180 VanDerWaalsContact CE3-C 3.47Å; K163-R180 HydrophobicContact CB-CG 4.41Å; K163-R180 PolarHBondContact N-O 3.37Å; K163-R180 PolarHBondContact O-N 3.14Å; W172-R180 HydrophobicContact CE3-CB 4.18Å; W172-R180 HydrophobicContact CZ3-CB 3.93Å
181P97.9Very high97.5Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-62.3154.1177.327.2-37.2000112.9V46 V90 I94 I97 I185 E186V46-P181 HydrophobicContact CG1-CG 4.18Å; V90-P181 HydrophobicContact CG1-CG 3.73Å; I94-P181 HydrophobicContact CD1-CG 4.05Å; I97-P181 HydrophobicContact CD1-CB 4.03Å; I97-P181 HydrophobicContact CD1-CG 4.08Å; I97-P181 HydrophobicContact CG2-CB 3.99Å; P181-I185 HydrophobicContact CB-CG2 3.96Å; P181-E186 HydrophobicContact CB-CG 4.21Å; P181-E186 HydrophobicContact CG-CG 4.27Å
182G96.4Very high97.6Very high2 Ų229.6 Ų29.62%0.02115%0.151CC..  trans-76.9148.4161.500000110.8L161 H184 I185L161-G182 PolarHBondContact O-N 2.77Å; G182-H184 VanDerWaalsContact C-N 3.29Å; G182-H184 PolarHBondContact O-N 3.18Å; G182-H184 VanDerWaalsContact O-N 3.14Å; G182-I185 WeakPolarHBondContact O-CG2 3.41Å; G182-I185 PolarHBondContact O-N 3.32Å
183W95.7Very high97.6Very high86 Ų8632.6 Ų32.633%0.32617%0.165SC..Hα-helixtrans-54.4-39.6-172.4176.136.5000114.6E186 L208 H212W183-E186 WeakPolarHBondContact O-CB 3.22Å; W183-L208 HydrophobicContact CH2-CD2 3.6Å; W183-L208 HydrophobicContact CZ2-CD2 3.69Å; W183-H212 AromaticContact CD1-CE1 3.91Å; W183-H212 AromaticContact CD2-CE1 3.89Å; W183-H212 AromaticContact CD2-ND1 3.59Å; W183-H212 AromaticContact CE2-CE1 3.5Å; W183-H212 VanDerWaalsContact CE2-CE1 3.5Å; W183-H212 AromaticContact CE2-ND1 3.49Å; W183-H212 AromaticContact CE3-ND1 3.84Å; W183-H212 HydrophobicContact CH2-CB 4.05Å; W183-H212 AromaticContact CH2-CG 4Å; W183-H212 AromaticContact CH2-ND1 3.94Å; W183-H212 HydrophobicContact CZ2-CB 4.49Å; W183-H212 AromaticContact CZ2-CE1 3.89Å; W183-H212 AromaticContact CZ2-CG 3.95Å; W183-H212 AromaticContact CZ2-ND1 3.68Å; W183-H212 HydrophobicContact CZ3-CB 4.21Å; W183-H212 AromaticContact NE1-CE1 3.49Å; W183-H212 PolarHBondContact NE1-CE1 3.04Å; W183-H212 AromaticContact NE1-ND1 3.95Å
184H97.9Very high97.7Very high22 Ų2228 Ų2810%0.10214%0.143CC..Hα-helixtrans-69.8-38.3-175.7-53.2-62.9000113.5G182 E186 C187 S188 H212 N215 Q219G182-H184 VanDerWaalsContact C-N 3.29Å; G182-H184 PolarHBondContact O-N 3.18Å; G182-H184 VanDerWaalsContact O-N 3.14Å; H184-E186 PolarHBondContact O-N 2.87Å; H184-C187 PolarHBondContact O-N 3.23Å; H184-S188 PolarHBondContact O-N 3.42Å; H184-H212 AromaticContact CE1-ND1 3.64Å; H184-H212 AromaticContact CG-ND1 3.94Å; H184-H212 VanDerWaalsContact ND1-CA 3.35Å; H184-H212 WeakPolarHBondContact ND1-CA 3.39Å; H184-H212 AromaticContact ND1-CE1 3.98Å; H184-H212 AromaticContact ND1-CG 3.6Å; H184-H212 AromaticContact ND1-ND1 2.92Å; H184-H212 PolarHBondContact ND1-ND1 2.66Å; H184-N215 HydrophobicContact CB-CB 3.71Å; H184-N215 PolarHBondContact CD2-ND2 3.47Å; H184-N215 PolarHBondContact NE2-ND2 2.63Å; H184-N215 VanDerWaalsContact NE2-ND2 3.12Å; H184-Q219 PolarHBondContact O-OE1 3.49Å
185I98.6Very high97.7Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-69.4-23-174.4-166.462.5000112.1I97 F100 I101 L104 L161 P181 G182 V189 Q219I97-I185 HydrophobicContact CG2-CG1 4.13Å; I97-I185 HydrophobicContact CG2-CG2 3.85Å; F100-I185 HydrophobicContact CD1-CD1 3.58Å; F100-I185 HydrophobicContact CE1-CD1 3.71Å; F100-I185 HydrophobicContact CG-CD1 4.1Å; F100-I185 HydrophobicContact CZ-CD1 4.27Å; I101-I185 HydrophobicContact CG1-CG1 4.14Å; L104-I185 HydrophobicContact CD1-CD1 4.38Å; L161-I185 HydrophobicContact CD2-CB 4.26Å; L161-I185 HydrophobicContact CD2-CD1 4.23Å; L161-I185 HydrophobicContact CD2-CG1 4.45Å; L161-I185 VanDerWaalsContact O-CG2 3.29Å; L161-I185 WeakPolarHBondContact O-CG2 3.44Å; P181-I185 HydrophobicContact CB-CG2 3.96Å; G182-I185 WeakPolarHBondContact O-CG2 3.41Å; G182-I185 PolarHBondContact O-N 3.32Å; I185-V189 HydrophobicContact CD1-CG2 4.25Å; I185-V189 HydrophobicContact CG1-CG2 4.01Å; I185-V189 WeakPolarHBondContact O-CB 3.28Å; I185-V189 WeakPolarHBondContact O-CG2 3.45Å; I185-V189 PolarHBondContact O-N 3.5Å; I185-Q219 VanDerWaalsContact CA-OE1 3.31Å; I185-Q219 HydrophobicContact CD1-CB 4.12Å; I185-Q219 HydrophobicContact CD1-CG 4.02Å
186E98.5Very high97.8Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-57.8-52.9177-60172.2-169.800111.4T44 V46 V90 P181 W183 H184 V189 M190T44-E186 VanDerWaalsContact CG2-OE2 3.23Å; T44-E186 WeakPolarHBondContact CG2-OE2 3.11Å; T44-E186 PolarHBondContact OG1-OE2 3.3Å; V46-E186 VanDerWaalsContact O-OE1 3.07Å; V90-E186 HydrophobicContact CB-CG 4.48Å; V90-E186 HydrophobicContact CG1-CB 4.42Å; V90-E186 HydrophobicContact CG1-CG 3.7Å; V90-E186 HydrophobicContact CG2-CB 4.01Å; V90-E186 HydrophobicContact CG2-CG 3.9Å; V90-E186 VanDerWaalsContact CG2-OE2 3.29Å; V90-E186 WeakPolarHBondContact CG2-OE2 3.47Å; P181-E186 HydrophobicContact CB-CG 4.21Å; P181-E186 HydrophobicContact CG-CG 4.27Å; W183-E186 WeakPolarHBondContact O-CB 3.22Å; H184-E186 PolarHBondContact O-N 2.87Å; E186-V189 PolarHBondContact O-N 3.36Å; E186-M190 HydrophobicContact CB-CE 3.97Å; E186-M190 WeakPolarHBondContact O-CB 3.29Å; E186-M190 VanDerWaalsContact O-CE 3.31Å; E186-M190 WeakPolarHBondContact O-CE 3.32Å; E186-M190 WeakPolarHBondContact O-CG 3.19Å; E186-M190 PolarHBondContact O-N 2.83Å
187C98.4Very high97.9Very high1 Ų127.3 Ų27.31%0.00714%0.144CC..Hα-helixtrans-67.7-46-178.5-65.40000111.2Y2 H184 V189 M190 A191 H212 E216Y2-C187 HydrophobicContact CE1-CB 4.01Å; Y2-C187 WeakPolarHBondContact OH-CA 3.42Å; H184-C187 PolarHBondContact O-N 3.23Å; C187-V189 VanDerWaalsContact C-N 3.28Å; C187-V189 PolarHBondContact O-N 3.14Å; C187-M190 PolarHBondContact O-N 2.7Å; C187-A191 WeakPolarHBondContact O-CB 3.3Å; C187-A191 PolarHBondContact O-N 3.37Å; C187-H212 PolarHBondContact SG-NE2 2.88Å; C187-H212 VanDerWaalsContact SG-NE2 3.44Å; C187-E216 VanDerWaalsContact CB-CD 3.43Å; C187-E216 HydrophobicContact CB-CG 4.15Å; C187-E216 WeakPolarHBondContact CB-OE2 3.4Å
188S98.7Very high98Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-50.9-46.5173.5-64.60000112.9H184 T192 E216 Q219 S220H184-S188 PolarHBondContact O-N 3.42Å; S188-T192 WeakPolarHBondContact O-CB 3.44Å; S188-T192 VanDerWaalsContact O-CG2 3.29Å; S188-T192 WeakPolarHBondContact O-CG2 3.26Å; S188-T192 PolarHBondContact O-N 3.28Å; S188-T192 PolarHBondContact O-OG1 2.83Å; S188-E216 VanDerWaalsContact OG-CA 3.23Å; S188-E216 WeakPolarHBondContact OG-CA 3.48Å; S188-E216 WeakPolarHBondContact OG-CB 3.44Å; S188-E216 PolarHBondContact OG-O 2.98Å; S188-Q219 PolarHBondContact OG-OE1 2.96Å; S188-S220 WeakPolarHBondContact CB-OG 3.39Å; S188-S220 PolarHBondContact OG-OG 3.49Å
189V98.8Very high98.1Very high3 Ų323.7 Ų23.72%0.01812%0.121CC..Hα-helixtrans-70.4-50.5-179.3171.90000110.9D96 I97 F100 I185 E186 C187 T192 K193D96-V189 HydrophobicContact CB-CG1 3.53Å; I97-V189 HydrophobicContact CB-CG2 4.26Å; I97-V189 HydrophobicContact CG1-CB 3.91Å; I97-V189 HydrophobicContact CG1-CG1 3.86Å; I97-V189 HydrophobicContact CG1-CG2 3.8Å; F100-V189 HydrophobicContact CB-CG2 3.67Å; F100-V189 HydrophobicContact CD2-CB 4.24Å; F100-V189 HydrophobicContact CD2-CG2 3.32Å; F100-V189 HydrophobicContact CE2-CG2 4.01Å; F100-V189 HydrophobicContact CG-CG2 3.65Å; I185-V189 HydrophobicContact CD1-CG2 4.25Å; I185-V189 HydrophobicContact CG1-CG2 4.01Å; I185-V189 WeakPolarHBondContact O-CB 3.28Å; I185-V189 WeakPolarHBondContact O-CG2 3.45Å; I185-V189 PolarHBondContact O-N 3.5Å; E186-V189 PolarHBondContact O-N 3.36Å; C187-V189 VanDerWaalsContact C-N 3.28Å; C187-V189 PolarHBondContact O-N 3.14Å; V189-T192 PolarHBondContact O-N 3.05Å; V189-T192 PolarHBondContact O-OG1 3.21Å; V189-K193 WeakPolarHBondContact O-CB 3.33Å; V189-K193 PolarHBondContact O-N 3.17Å
190M98.7Very high98.1Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-66.8-40.1-176.7-71.9-175.3-73.100112.2Y2 N42 P88 V90 H93 E186 C187 H194Y2-M190 HydrophobicContact CE2-CB 4.18Å; N42-M190 HydrophobicContact CB-CE 3.48Å; N42-M190 VanDerWaalsContact CB-CE 3.48Å; N42-M190 HydrophobicContact CB-SD 3.85Å; N42-M190 WeakPolarHBondContact ND2-CE 3.41Å; P88-M190 HydrophobicContact CB-CB 4.32Å; P88-M190 HydrophobicContact CB-CG 4.14Å; P88-M190 HydrophobicContact CB-SD 3.67Å; P88-M190 HydrophobicContact CG-CB 4.13Å; P88-M190 HydrophobicContact CG-CG 4.4Å; P88-M190 HydrophobicContact CG-SD 3.92Å; V90-M190 HydrophobicContact CG2-CE 3.89Å; H93-M190 HydrophobicContact CB-CG 4.3Å; E186-M190 HydrophobicContact CB-CE 3.97Å; E186-M190 WeakPolarHBondContact O-CB 3.29Å; E186-M190 VanDerWaalsContact O-CE 3.31Å; E186-M190 WeakPolarHBondContact O-CE 3.32Å; E186-M190 WeakPolarHBondContact O-CG 3.19Å; E186-M190 PolarHBondContact O-N 2.83Å; C187-M190 PolarHBondContact O-N 2.7Å; M190-H194 WeakPolarHBondContact O-CB 3.35Å; M190-H194 PolarHBondContact O-CD2 3.32Å; M190-H194 PolarHBondContact O-N 3.27Å; M190-H194 VanDerWaalsContact O-N 3.12Å
191A98.6Very high98.2Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-61.5-52.6175.900000110.9Y2 C187 K193 H194 L195 F228Y2-A191 HydrophobicContact CD1-CB 4.1Å; Y2-A191 HydrophobicContact CD2-CB 3.55Å; Y2-A191 HydrophobicContact CE1-CB 4.31Å; Y2-A191 HydrophobicContact CE2-CB 3.78Å; Y2-A191 HydrophobicContact CG-CB 3.7Å; C187-A191 WeakPolarHBondContact O-CB 3.3Å; C187-A191 PolarHBondContact O-N 3.37Å; A191-K193 VanDerWaalsContact C-N 3.33Å; A191-K193 PolarHBondContact O-N 2.94Å; A191-H194 PolarHBondContact O-N 2.81Å; A191-L195 WeakPolarHBondContact O-CB 3.33Å; A191-L195 PolarHBondContact O-N 3.44Å; A191-F228 HydrophobicContact CB-CE2 3.88Å; A191-F228 HydrophobicContact CB-CZ 3.66Å
192T98.2Very high98.3Very high12 Ų1229.1 Ų29.17%0.07415%0.151CC..Hα-helixtrans-66.2-34.7-179.457.10000113S188 V189 G196 F228S188-T192 WeakPolarHBondContact O-CB 3.44Å; S188-T192 VanDerWaalsContact O-CG2 3.29Å; S188-T192 WeakPolarHBondContact O-CG2 3.26Å; S188-T192 PolarHBondContact O-N 3.28Å; S188-T192 PolarHBondContact O-OG1 2.83Å; V189-T192 PolarHBondContact O-N 3.05Å; V189-T192 PolarHBondContact O-OG1 3.21Å; T192-G196 WeakPolarHBondContact CA-O 3.45Å; T192-G196 CarbonylContact O-C 3.42Å; T192-G196 VanDerWaalsContact O-CA 3.29Å; T192-G196 WeakPolarHBondContact O-CA 3.35Å; T192-G196 PolarHBondContact O-N 2.85Å; T192-G196 VanDerWaalsContact O-N 3.08Å; T192-F228 HydrophobicContact CG2-CD2 4.12Å; T192-F228 HydrophobicContact CG2-CE2 3.79Å
193K98.3Very high98.3Very high113 Ų11329 Ų2949%0.49115%0.15SC..Hα-helixtrans-64-44.1177.4-179.867.4172.3-154.90112.9D96 V189 A191D96-K193 IonicContact OD1-NZ 3.13Å; D96-K193 PolarHBondContact OD1-NZ 2.83Å; D96-K193 IonicContact OD2-NZ 3.74Å; V189-K193 WeakPolarHBondContact O-CB 3.33Å; V189-K193 PolarHBondContact O-N 3.17Å; A191-K193 VanDerWaalsContact C-N 3.33Å; A191-K193 PolarHBondContact O-N 2.94Å
194H98.3Very high98.4Very high62 Ų6224.9 Ų24.929%0.28713%0.134SC..Hα-helixtrans-97.1-23.5-170.1-67.9-59.4000114.2V40 L86 H93 M190 A191V40-H194 HydrophobicContact CG2-CB 4.46Å; L86-H194 HydrophobicContact CD2-CB 4.19Å; L86-H194 VanDerWaalsContact CD2-ND1 3.33Å; L86-H194 WeakPolarHBondContact CD2-ND1 3.41Å; H93-H194 AromaticContact CD2-NE2 3.85Å; H93-H194 AromaticContact CE1-NE2 3.47Å; H93-H194 PolarHBondContact CE1-NE2 3.47Å; H93-H194 AromaticContact NE2-CD2 3.96Å; H93-H194 AromaticContact NE2-CE1 3.49Å; H93-H194 PolarHBondContact NE2-CE1 2.88Å; H93-H194 AromaticContact NE2-NE2 2.82Å; H93-H194 PolarHBondContact NE2-NE2 3.12Å; M190-H194 WeakPolarHBondContact O-CB 3.35Å; M190-H194 PolarHBondContact O-CD2 3.32Å; M190-H194 PolarHBondContact O-N 3.27Å; M190-H194 VanDerWaalsContact O-N 3.12Å; A191-H194 PolarHBondContact O-N 2.81Å
195L98.4Very high98.3Very high40 Ų4024.1 Ų24.121%0.20913%0.132CC..Hα-helixtrans-120.1-13.5-175.9-63.4173.3000113.8Y2 N38 V40 A191 I199Y2-L195 HydrophobicContact CD2-CD1 4.21Å; N38-L195 HydrophobicContact CB-CD2 4.18Å; N38-L195 WeakPolarHBondContact ND2-CD2 3.45Å; V40-L195 HydrophobicContact CB-CD1 4.16Å; V40-L195 HydrophobicContact CG2-CD1 4.05Å; V40-L195 HydrophobicContact CG2-CD2 3.79Å; V40-L195 HydrophobicContact CG2-CG 3.91Å; A191-L195 WeakPolarHBondContact O-CB 3.33Å; A191-L195 PolarHBondContact O-N 3.44Å; L195-I199 HydrophobicContact CB-CB 4.5Å; L195-I199 HydrophobicContact CB-CG2 3.47Å; L195-I199 VanDerWaalsContact CB-CG2 3.47Å; L195-I199 HydrophobicContact CD1-CG2 4.13Å; L195-I199 HydrophobicContact CG-CG2 4.47Å
196G98.2Very high98.2Very high30 Ų3027.9 Ų27.931%0.30915%0.149SC..  trans101.7175-179.300000113.8T192 T198T192-G196 WeakPolarHBondContact CA-O 3.45Å; T192-G196 CarbonylContact O-C 3.42Å; T192-G196 VanDerWaalsContact O-CA 3.29Å; T192-G196 WeakPolarHBondContact O-CA 3.35Å; T192-G196 PolarHBondContact O-N 2.85Å; T192-G196 VanDerWaalsContact O-N 3.08Å; G196-T198 VanDerWaalsContact C-N 3.27Å; G196-T198 PolarHBondContact O-N 2.91Å
197D98.5Very high97.9Very high59 Ų5932.3 Ų32.332%0.31617%0.173SC..SBendtrans-66.2-25.7-172.7-69.5-26.2000114.1K223 T224 Q226D197-K223 IonicContact OD1-NZ 3.89Å; D197-T224 HydrophobicContact CB-CG2 3.78Å; D197-T224 VanDerWaalsContact CG-CG2 3.5Å; D197-T224 VanDerWaalsContact OD1-CG2 3.25Å; D197-T224 WeakPolarHBondContact OD1-CG2 3.22Å; D197-Q226 PolarHBondContact OD2-NE2 3.31Å; D197-Q226 VanDerWaalsContact OD2-NE2 3.11Å
198T98.7Very high97.8Very high51 Ų5133.2 Ų33.231%0.31318%0.178SC..SBendtrans-127.8126172.8-60.10000109.1G196 R227 F228G196-T198 VanDerWaalsContact C-N 3.27Å; G196-T198 PolarHBondContact O-N 2.91Å; T198-R227 VanDerWaalsContact CB-O 3.3Å; T198-R227 WeakPolarHBondContact CB-O 3.23Å; T198-R227 WeakPolarHBondContact CG2-O 3.16Å; T198-R227 PolarHBondContact OG1-O 2.9Å; T198-F228 WeakPolarHBondContact CA-O 3.4Å
199I98.4Very high97.7Very high5 Ų535.6 Ų35.63%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-110.6159177.672.4173.5000111.8L195 I201 H202 F228 A229 N230L195-I199 HydrophobicContact CB-CB 4.5Å; L195-I199 HydrophobicContact CB-CG2 3.47Å; L195-I199 VanDerWaalsContact CB-CG2 3.47Å; L195-I199 HydrophobicContact CD1-CG2 4.13Å; L195-I199 HydrophobicContact CG-CG2 4.47Å; I199-I201 WeakPolarHBondContact CD1-O 3.26Å; I199-H202 HydrophobicContact CD1-CB 3.98Å; I199-F228 PolarHBondContact N-O 3.31Å; I199-A229 HydrophobicContact CD1-CB 4.35Å; I199-A229 HydrophobicContact CG1-CB 3.71Å; I199-A229 CarbonylContact O-C 3.57Å; I199-A229 VanDerWaalsContact O-CA 3.31Å; I199-A229 WeakPolarHBondContact O-CA 3.35Å; I199-N230 PolarHBondContact O-N 3.47Å
200D98.6Very high97.5Very high110 Ų11038.1 Ų38.159%0.58820%0.2SC*.EExtended strand (participates in β ladder)trans-71-52.7179.2-56.7-62.8000112.4N230 Y231D200-N230 WeakPolarHBondContact O-CB 3.19Å; D200-N230 PolarHBondContact O-N 2.9Å; D200-Y231 WeakPolarHBondContact O-CD2 3.31Å; D200-Y231 PolarHBondContact O-N 2.9Å
201I98.6Very high97.3Very high15 Ų1540.5 Ų40.58%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-134.1129.1-173.5-64.2168.3000109.1M1 Y2 F30 I199 Y231 M233M1-I201 CarbonylContact C-O 3.33Å; M1-I201 VanDerWaalsContact CA-O 3.32Å; M1-I201 WeakPolarHBondContact CA-O 3.36Å; M1-I201 HydrophobicContact CB-CB 4.42Å; M1-I201 HydrophobicContact CE-CB 4.27Å; M1-I201 HydrophobicContact CE-CD1 3.64Å; M1-I201 HydrophobicContact CE-CG2 4.17Å; M1-I201 HydrophobicContact CG-CB 4.02Å; M1-I201 HydrophobicContact CG-CG2 3.95Å; Y2-I201 PolarHBondContact N-O 2.81Å; F30-I201 HydrophobicContact CE2-CD1 3.59Å; F30-I201 HydrophobicContact CZ-CD1 3.67Å; I199-I201 WeakPolarHBondContact CD1-O 3.26Å; I201-Y231 WeakPolarHBondContact CA-O 3.41Å; I201-Y231 HydrophobicContact CG1-CD2 4.47Å; I201-M233 HydrophobicContact CD1-SD 4.19Å; I201-M233 HydrophobicContact CG1-SD 4.44Å; I201-M233 HydrophobicContact CG2-CB 4.48Å; I201-M233 HydrophobicContact CG2-CG 4.01Å; I201-M233 HydrophobicContact CG2-SD 3.51Å; I201-M233 VanDerWaalsContact CG2-SD 3.51Å
202H98.8Very high97.3Very high0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-111.8126.6166-155.9-72.9000110.4Y2 C4 I199 H213 E216 F228 A229 Y231 W232 M233Y2-H202 AromaticContact CD1-CD2 3.95Å; Y2-H202 AromaticContact CD1-CE1 3.77Å; Y2-H202 AromaticContact CD1-NE2 3.31Å; Y2-H202 VanDerWaalsContact CD1-NE2 3.31Å; Y2-H202 WeakPolarHBondContact CD1-NE2 3.01Å; Y2-H202 AromaticContact CE1-NE2 3.93Å; Y2-H202 CarbonylContact O-C 3.52Å; Y2-H202 VanDerWaalsContact O-CA 3.31Å; Y2-H202 WeakPolarHBondContact O-CA 3.49Å; C4-H202 PolarHBondContact SG-CE1 3Å; I199-H202 HydrophobicContact CD1-CB 3.98Å; H202-H213 AromaticContact CE1-NE2 3.91Å; H202-H213 AromaticContact ND1-CE1 3.91Å; H202-H213 AromaticContact ND1-NE2 3.83Å; H202-E216 IonicContact CE1-OE1 3.44Å; H202-E216 IonicContact CE1-OE2 2.69Å; H202-E216 PolarHBondContact CE1-OE2 3.37Å; H202-E216 IonicContact NE2-OE2 3.47Å; H202-E216 PolarHBondContact NE2-OE2 3.05Å; H202-F228 AromaticContact CD2-CE1 3.6Å; H202-F228 AromaticContact CD2-CZ 3.68Å; H202-F228 AromaticContact NE2-CE1 3.78Å; H202-F228 AromaticContact NE2-CZ 3.84Å; H202-A229 HydrophobicContact CB-CB 3.82Å; H202-Y231 PolarHBondContact N-O 3.09Å; H202-W232 HydrophobicContact CB-CD2 4.08Å; H202-W232 HydrophobicContact CB-CE3 3.63Å; H202-W232 HydrophobicContact CB-CH2 3.88Å; H202-W232 HydrophobicContact CB-CZ2 4.26Å; H202-W232 HydrophobicContact CB-CZ3 3.53Å; H202-W232 AromaticContact CD2-CH2 3.98Å; H202-W232 AromaticContact CE1-CZ3 3.83Å; H202-W232 AromaticContact CG-CE3 3.92Å; H202-W232 AromaticContact CG-CH2 3.65Å; H202-W232 AromaticContact CG-CZ3 3.32Å; H202-W232 AromaticContact ND1-CE3 3.88Å; H202-W232 AromaticContact ND1-CH2 3.87Å; H202-W232 AromaticContact ND1-CZ3 3.19Å; H202-W232 WeakPolarHBondContact ND1-CZ3 3.3Å; H202-W232 WeakPolarHBondContact O-CA 3.28Å; H202-M233 PolarHBondContact O-N 2.99Å
203G98.4Very high97.3Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-123.6152.1-171.500000114Y2 V3 C4 F23 M233Y2-G203 PolarHBondContact O-N 3.3Å; V3-G203 CarbonylContact C-O 3.51Å; V3-G203 VanDerWaalsContact CA-O 3.32Å; V3-G203 WeakPolarHBondContact CA-O 3.5Å; C4-G203 PolarHBondContact N-O 3.11Å; F23-G203 VanDerWaalsContact CZ-CA 3.43Å; G203-M233 VanDerWaalsContact CA-O 3.28Å; G203-M233 WeakPolarHBondContact CA-O 3.35Å
204G97.5Very high97.2Very high0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-176-176.2172.600000113.1F23 M233 H234 N235F23-G204 VanDerWaalsContact CZ-N 3.32Å; G204-M233 PolarHBondContact N-O 3.05Å; G204-M233 VanDerWaalsContact N-O 3.09Å; G204-H234 CarbonylContact O-C 3.53Å; G204-H234 VanDerWaalsContact O-CA 3.22Å; G204-H234 WeakPolarHBondContact O-CA 3.47Å; G204-N235 PolarHBondContact O-N 3.42Å; G204-N235 PolarHBondContact O-OD1 2.98Å; G204-N235 VanDerWaalsContact O-OD1 3.05Å
205G95.8Very high97.2Very high5 Ų531.9 Ų31.95%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-69153.1168.200000111.5D207 L208 N235G205-D207 PolarHBondContact O-N 3.04Å; G205-D207 VanDerWaalsContact O-N 3.16Å; G205-L208 VanDerWaalsContact O-CB 3.32Å; G205-L208 WeakPolarHBondContact O-CB 3.31Å; G205-L208 PolarHBondContact O-N 3.09Å; G205-N235 VanDerWaalsContact CA-OD1 3.31Å; G205-N235 WeakPolarHBondContact CA-OD1 3.43Å; G205-N235 PolarHBondContact N-OD1 2.96Å
206Q95.3Very high97.3Very high79 Ų7930 Ų3037%0.36917%0.166SC..G310 helixtrans-56-28.3174.4-174.4179.1-5.200113.4L208 E209 H234 N235 Y237Q206-L208 PolarHBondContact O-N 2.88Å; Q206-E209 WeakPolarHBondContact O-CB 3.26Å; Q206-E209 PolarHBondContact O-N 2.66Å; Q206-H234 HydrophobicContact CB-CB 4.39Å; Q206-N235 WeakPolarHBondContact CB-O 3.43Å; Q206-N235 PolarHBondContact N-O 3.2Å; Q206-Y237 HydrophobicContact CB-CE1 4.39Å; Q206-Y237 HydrophobicContact CB-CE2 4.36Å; Q206-Y237 HydrophobicContact CG-CE2 4.38Å
207D92.3Very high97.3Very high94 Ų9429.2 Ų29.250%0.50316%0.155SC..G310 helixtrans-65.1-17.4171.454.2-57.9000114.6G205 Y237G205-D207 PolarHBondContact O-N 3.04Å; G205-D207 VanDerWaalsContact O-N 3.16Å; D207-Y237 VanDerWaalsContact CA-OH 3.28Å; D207-Y237 WeakPolarHBondContact CA-OH 3.41Å; D207-Y237 HydrophobicContact CB-CE1 3.81Å; D207-Y237 WeakPolarHBondContact CB-OH 3.39Å; D207-Y237 PolarHBondContact N-OH 3.35Å; D207-Y237 VanDerWaalsContact N-OH 3.15Å
208L96.6Very high97.3Very high19 Ų1926.4 Ų26.410%0.09914%0.14CC..G310 helixtrans-88.9-13.3178.2-57.1-175.1000112.8C4 W183 G205 Q206 F210 H212 H213C4-L208 HydrophobicContact CB-CD1 3.57Å; W183-L208 HydrophobicContact CH2-CD2 3.6Å; W183-L208 HydrophobicContact CZ2-CD2 3.69Å; G205-L208 VanDerWaalsContact O-CB 3.32Å; G205-L208 WeakPolarHBondContact O-CB 3.31Å; G205-L208 PolarHBondContact O-N 3.09Å; Q206-L208 PolarHBondContact O-N 2.88Å; L208-F210 VanDerWaalsContact C-N 3.27Å; L208-F210 PolarHBondContact O-N 2.96Å; L208-H212 HydrophobicContact CB-CB 4.3Å; L208-H212 HydrophobicContact CD2-CB 4.31Å; L208-H212 WeakPolarHBondContact O-CB 3.16Å; L208-H212 PolarHBondContact O-N 3.37Å; L208-H213 WeakPolarHBondContact O-CB 3.38Å; L208-H213 PolarHBondContact O-N 3.41Å
209E96.5Very high97.3Very high50 Ų5024 Ų2423%0.23413%0.125CC..Iπ-helixtrans-52.4-48.7176.6-171.1176.6179.300111.5L130 Q206 E214 H234L130-E209 HydrophobicContact CD2-CG 4.46Å; L130-E209 HydrophobicContact CG-CG 4.29Å; Q206-E209 WeakPolarHBondContact O-CB 3.26Å; Q206-E209 PolarHBondContact O-N 2.66Å; E209-E214 PolarHBondContact O-N 3.13Å; E209-H234 VanDerWaalsContact CA-NE2 3.35Å; E209-H234 WeakPolarHBondContact CA-NE2 3.29Å; E209-H234 WeakPolarHBondContact CB-NE2 3.34Å
210F95.1Very high97.3Very high57 Ų5723.8 Ų23.825%0.2512%0.124CC..Iπ-helixtrans-134.8134.8173.8-174.6-90.8000112.2Y127 Q133 L138 L208 E214Y127-F210 HydrophobicContact CE1-CE2 4.18Å; Q133-F210 VanDerWaalsContact NE2-CB 3.33Å; L138-F210 HydrophobicContact CD1-CE2 3.62Å; L138-F210 HydrophobicContact CD1-CZ 3.73Å; L138-F210 HydrophobicContact CD2-CD1 4.48Å; L138-F210 HydrophobicContact CD2-CE1 3.58Å; L138-F210 HydrophobicContact CD2-CE2 3.82Å; L138-F210 HydrophobicContact CD2-CZ 3.2Å; L138-F210 HydrophobicContact CG-CE2 4.38Å; L138-F210 HydrophobicContact CG-CZ 4.08Å; L208-F210 VanDerWaalsContact C-N 3.27Å; L208-F210 PolarHBondContact O-N 2.96Å; F210-E214 HydrophobicContact CD2-CB 4.11Å; F210-E214 HydrophobicContact CD2-CG 4.29Å; F210-E214 HydrophobicContact CE2-CG 4.47Å
211P94.5Very high97.3Very high50 Ų5020.8 Ų20.833%0.32511%0.106SC..Iπ-helixcis-88.81.8-0.635.7-35.8000113.7N215P211-N215 VanDerWaalsContact O-CB 3.29Å; P211-N215 WeakPolarHBondContact O-CB 3.34Å; P211-N215 PolarHBondContact O-N 3.48Å; P211-N215 PolarHBondContact O-ND2 3.46Å; P211-N215 PolarHBondContact O-OD1 3.31Å
212H97.5Very high97.3Very high2 Ų220.4 Ų20.41%0.00911%0.105CC..Iπ-helixtrans-68.6-60.8-162.6-174.474.5000113.5W183 H184 C187 L208 E214 N215 E216W183-H212 AromaticContact CD1-CE1 3.91Å; W183-H212 AromaticContact CD2-CE1 3.89Å; W183-H212 AromaticContact CD2-ND1 3.59Å; W183-H212 AromaticContact CE2-CE1 3.5Å; W183-H212 VanDerWaalsContact CE2-CE1 3.5Å; W183-H212 AromaticContact CE2-ND1 3.49Å; W183-H212 AromaticContact CE3-ND1 3.84Å; W183-H212 HydrophobicContact CH2-CB 4.05Å; W183-H212 AromaticContact CH2-CG 4Å; W183-H212 AromaticContact CH2-ND1 3.94Å; W183-H212 HydrophobicContact CZ2-CB 4.49Å; W183-H212 AromaticContact CZ2-CE1 3.89Å; W183-H212 AromaticContact CZ2-CG 3.95Å; W183-H212 AromaticContact CZ2-ND1 3.68Å; W183-H212 HydrophobicContact CZ3-CB 4.21Å; W183-H212 AromaticContact NE1-CE1 3.49Å; W183-H212 PolarHBondContact NE1-CE1 3.04Å; W183-H212 AromaticContact NE1-ND1 3.95Å; H184-H212 AromaticContact CE1-ND1 3.64Å; H184-H212 AromaticContact CG-ND1 3.94Å; H184-H212 VanDerWaalsContact ND1-CA 3.35Å; H184-H212 WeakPolarHBondContact ND1-CA 3.39Å; H184-H212 AromaticContact ND1-CE1 3.98Å; H184-H212 AromaticContact ND1-CG 3.6Å; H184-H212 AromaticContact ND1-ND1 2.92Å; H184-H212 PolarHBondContact ND1-ND1 2.66Å; C187-H212 PolarHBondContact SG-NE2 2.88Å; C187-H212 VanDerWaalsContact SG-NE2 3.44Å; L208-H212 HydrophobicContact CB-CB 4.3Å; L208-H212 HydrophobicContact CD2-CB 4.31Å; L208-H212 WeakPolarHBondContact O-CB 3.16Å; L208-H212 PolarHBondContact O-N 3.37Å; H212-E214 VanDerWaalsContact C-N 3.31Å; H212-E214 PolarHBondContact O-N 2.87Å; H212-N215 WeakPolarHBondContact O-CB 3.14Å; H212-N215 PolarHBondContact O-N 2.9Å; H212-N215 VanDerWaalsContact O-N 3.14Å; H212-E216 IonicContact CD2-OE1 3.22Å; H212-E216 PolarHBondContact CD2-OE1 3.32Å; H212-E216 IonicContact CE1-OE1 3.27Å; H212-E216 IonicContact CG-OE1 2.75Å; H212-E216 IonicContact ND1-OE1 2.74Å; H212-E216 IonicContact NE2-OE1 2.96Å; H212-E216 PolarHBondContact NE2-OE1 2.89Å; H212-E216 WeakPolarHBondContact O-CG 3.49Å; H212-E216 PolarHBondContact O-N 2.88Å
213H98.5Very high97.3Very high0 Ų022.9 Ų22.90%012%0.116CC..Iπ-helixtrans-64.6-35.5179.3-70.2-173.8000112.2L130 H202 L208 N215 E216 I217 W232 H234L130-H213 HydrophobicContact CD2-CB 3.55Å; H202-H213 AromaticContact CE1-NE2 3.91Å; H202-H213 AromaticContact ND1-CE1 3.91Å; H202-H213 AromaticContact ND1-NE2 3.83Å; L208-H213 WeakPolarHBondContact O-CB 3.38Å; L208-H213 PolarHBondContact O-N 3.41Å; H213-N215 VanDerWaalsContact C-N 3.33Å; H213-N215 PolarHBondContact O-N 3.43Å; H213-E216 IonicContact CD2-OE1 2.8Å; H213-E216 PolarHBondContact CD2-OE1 2.8Å; H213-E216 VanDerWaalsContact CD2-OE1 3.24Å; H213-E216 PolarHBondContact O-N 2.98Å; H213-E216 VanDerWaalsContact O-N 3.17Å; H213-I217 WeakPolarHBondContact O-CG1 3.43Å; H213-I217 PolarHBondContact O-N 2.78Å; H213-W232 HydrophobicContact CB-CE3 3.83Å; H213-W232 HydrophobicContact CB-CH2 4.03Å; H213-W232 HydrophobicContact CB-CZ3 3.34Å; H213-W232 AromaticContact CD2-CZ3 4Å; H213-W232 AromaticContact CG-CE3 3.77Å; H213-W232 AromaticContact CG-CZ3 3.32Å; H213-W232 AromaticContact ND1-CE3 3.39Å; H213-W232 AromaticContact ND1-CZ3 3.41Å; H213-W232 WeakPolarHBondContact ND1-CZ3 3.32Å; H213-H234 AromaticContact CE1-CD2 3.79Å; H213-H234 AromaticContact CE1-NE2 3.58Å; H213-H234 AromaticContact CG-NE2 3.9Å; H213-H234 AromaticContact ND1-CD2 3.57Å; H213-H234 AromaticContact ND1-CE1 3.8Å; H213-H234 AromaticContact ND1-NE2 2.9Å; H213-H234 PolarHBondContact ND1-NE2 3.05Å
214E97.7Very high97.3Very high1 Ų124 Ų241%0.00512%0.123CC..Hα-helixtrans-58.1-44.7172.5-163.169.8-124.400112Y127 G128 E129 L130 S131 E209 F210 H212 E216 I217 A218Y127-E214 HydrophobicContact CD1-CG 4.31Å; Y127-E214 HydrophobicContact CD2-CG 4.02Å; Y127-E214 HydrophobicContact CE1-CG 4.04Å; Y127-E214 HydrophobicContact CE2-CB 4.45Å; Y127-E214 HydrophobicContact CE2-CG 3.73Å; Y127-E214 HydrophobicContact CG-CG 4.3Å; G128-E214 WeakPolarHBondContact CA-OE1 3.48Å; G128-E214 WeakPolarHBondContact CA-OE2 3.28Å; G128-E214 PolarHBondContact N-OE1 3.35Å; E129-E214 PolarHBondContact N-OE1 2.87Å; L130-E214 WeakPolarHBondContact CB-OE2 3.26Å; L130-E214 PolarHBondContact N-OE2 2.91Å; S131-E214 PolarHBondContact N-OE2 2.87Å; S131-E214 PolarHBondContact OG-OE2 2.94Å; E209-E214 PolarHBondContact O-N 3.13Å; F210-E214 HydrophobicContact CD2-CB 4.11Å; F210-E214 HydrophobicContact CD2-CG 4.29Å; F210-E214 HydrophobicContact CE2-CG 4.47Å; H212-E214 VanDerWaalsContact C-N 3.31Å; H212-E214 PolarHBondContact O-N 2.87Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-E216 PolarHBondContact O-N 3.06Å; E214-I217 PolarHBondContact O-N 2.8Å; E214-A218 PolarHBondContact O-N 3.38Å; E214-A218 VanDerWaalsContact O-N 3.08Å
215N98.4Very high97.3Very high2 Ų227.2 Ų27.21%0.01116%0.156CC..Hα-helixtrans-66.1-36.5175.9-71.4-12.2000111.9Y127 F159 H184 P211 H212 H213 A218 Q219Y127-N215 WeakPolarHBondContact CE2-OD1 3.34Å; Y127-N215 PolarHBondContact OH-OD1 2.85Å; F159-N215 WeakPolarHBondContact CD1-OD1 3.29Å; F159-N215 HydrophobicContact CD2-CB 4.2Å; F159-N215 HydrophobicContact CE1-CB 4.19Å; F159-N215 WeakPolarHBondContact CE1-OD1 3.41Å; F159-N215 HydrophobicContact CE2-CB 3.76Å; F159-N215 HydrophobicContact CZ-CB 3.75Å; F159-N215 WeakPolarHBondContact CZ-OD1 3.47Å; H184-N215 HydrophobicContact CB-CB 3.71Å; H184-N215 PolarHBondContact CD2-ND2 3.47Å; H184-N215 PolarHBondContact NE2-ND2 2.63Å; H184-N215 VanDerWaalsContact NE2-ND2 3.12Å; P211-N215 VanDerWaalsContact O-CB 3.29Å; P211-N215 WeakPolarHBondContact O-CB 3.34Å; P211-N215 PolarHBondContact O-N 3.48Å; P211-N215 PolarHBondContact O-ND2 3.46Å; P211-N215 PolarHBondContact O-OD1 3.31Å; H212-N215 WeakPolarHBondContact O-CB 3.14Å; H212-N215 PolarHBondContact O-N 2.9Å; H212-N215 VanDerWaalsContact O-N 3.14Å; H213-N215 VanDerWaalsContact C-N 3.33Å; H213-N215 PolarHBondContact O-N 3.43Å; N215-A218 PolarHBondContact O-N 3.01Å; N215-Q219 WeakPolarHBondContact O-CB 3.39Å; N215-Q219 WeakPolarHBondContact O-CG 3.29Å; N215-Q219 PolarHBondContact O-N 2.84Å
216E98.7Very high97.4Very high0 Ų031.3 Ų31.30%017%0.174CC..Hα-helixtrans-66.5-41178.1-68.3174-115.800112.6C187 S188 H202 H212 H213 E214 Q219 S220 F228C187-E216 VanDerWaalsContact CB-CD 3.43Å; C187-E216 HydrophobicContact CB-CG 4.15Å; C187-E216 WeakPolarHBondContact CB-OE2 3.4Å; S188-E216 VanDerWaalsContact OG-CA 3.23Å; S188-E216 WeakPolarHBondContact OG-CA 3.48Å; S188-E216 WeakPolarHBondContact OG-CB 3.44Å; S188-E216 PolarHBondContact OG-O 2.98Å; H202-E216 IonicContact CE1-OE1 3.44Å; H202-E216 IonicContact CE1-OE2 2.69Å; H202-E216 PolarHBondContact CE1-OE2 3.37Å; H202-E216 IonicContact NE2-OE2 3.47Å; H202-E216 PolarHBondContact NE2-OE2 3.05Å; H212-E216 IonicContact CD2-OE1 3.22Å; H212-E216 PolarHBondContact CD2-OE1 3.32Å; H212-E216 IonicContact CE1-OE1 3.27Å; H212-E216 IonicContact CG-OE1 2.75Å; H212-E216 IonicContact ND1-OE1 2.74Å; H212-E216 IonicContact NE2-OE1 2.96Å; H212-E216 PolarHBondContact NE2-OE1 2.89Å; H212-E216 WeakPolarHBondContact O-CG 3.49Å; H212-E216 PolarHBondContact O-N 2.88Å; H213-E216 IonicContact CD2-OE1 2.8Å; H213-E216 PolarHBondContact CD2-OE1 2.8Å; H213-E216 VanDerWaalsContact CD2-OE1 3.24Å; H213-E216 PolarHBondContact O-N 2.98Å; H213-E216 VanDerWaalsContact O-N 3.17Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-E216 PolarHBondContact O-N 3.06Å; E216-Q219 PolarHBondContact O-N 2.94Å; E216-S220 WeakPolarHBondContact O-CB 3.34Å; E216-S220 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-OG 3.05Å; E216-F228 HydrophobicContact CB-CD1 4.4Å; E216-F228 HydrophobicContact CB-CE1 3.85Å
217I98.6Very high97.5Very high15 Ų1535.1 Ų35.18%0.07719%0.185CC..Hα-helixtrans-56.7-55.7171.1-67.9164.5000109.1F124 L130 H213 E214 Q219 S220 E221 W232F124-I217 HydrophobicContact CE1-CG2 3.85Å; F124-I217 HydrophobicContact CZ-CG2 3.78Å; L130-I217 HydrophobicContact CB-CD1 3.79Å; L130-I217 HydrophobicContact CD2-CD1 3.82Å; L130-I217 HydrophobicContact CG-CD1 4.32Å; H213-I217 WeakPolarHBondContact O-CG1 3.43Å; H213-I217 PolarHBondContact O-N 2.78Å; E214-I217 PolarHBondContact O-N 2.8Å; I217-Q219 VanDerWaalsContact C-N 3.3Å; I217-Q219 PolarHBondContact O-N 2.68Å; I217-S220 PolarHBondContact O-N 2.82Å; I217-E221 HydrophobicContact CG2-CG 4.04Å; I217-E221 WeakPolarHBondContact O-CB 3.32Å; I217-E221 VanDerWaalsContact O-CG 3.3Å; I217-E221 WeakPolarHBondContact O-CG 3.46Å; I217-E221 PolarHBondContact O-N 2.97Å; I217-W232 HydrophobicContact CD1-CH2 4.25Å; I217-W232 HydrophobicContact CD1-CZ2 3.58Å; I217-W232 HydrophobicContact CG1-CH2 3.82Å; I217-W232 HydrophobicContact CG1-CZ2 3.2Å
218A98.5Very high97.8Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-58.3-41.9-176.500000112.5Y119 F124 Y127 F159 E214 N215 A222Y119-A218 HydrophobicContact CE1-CB 3.94Å; Y119-A218 VanDerWaalsContact OH-C 3.31Å; Y119-A218 PolarHBondContact OH-O 3.25Å; F124-A218 HydrophobicContact CB-CB 4.2Å; F124-A218 HydrophobicContact CD1-CB 3.71Å; F124-A218 HydrophobicContact CD2-CB 4.41Å; F124-A218 HydrophobicContact CE1-CB 4.2Å; F124-A218 HydrophobicContact CG-CB 3.84Å; Y127-A218 HydrophobicContact CD2-CB 3.86Å; Y127-A218 HydrophobicContact CE2-CB 4.14Å; F159-A218 HydrophobicContact CZ-CB 4.49Å; E214-A218 PolarHBondContact O-N 3.38Å; E214-A218 VanDerWaalsContact O-N 3.08Å; N215-A218 PolarHBondContact O-N 3.01Å; A218-A222 WeakPolarHBondContact O-CB 3.43Å; A218-A222 PolarHBondContact O-N 2.87Å
219Q98.8Very high97.9Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-66.7-51.9176.8-71.3164.8-10.700111.9F100 Y119 F159 L161 H184 I185 S188 N215 E216 I217 K223F100-Q219 HydrophobicContact CE1-CB 4.18Å; F100-Q219 WeakPolarHBondContact CE1-O 3.37Å; F100-Q219 HydrophobicContact CZ-CB 4.4Å; Y119-Q219 HydrophobicContact CD2-CG 4.14Å; Y119-Q219 HydrophobicContact CE2-CG 4.37Å; F159-Q219 HydrophobicContact CE2-CG 4.01Å; F159-Q219 HydrophobicContact CZ-CG 4.32Å; L161-Q219 HydrophobicContact CD2-CG 3.93Å; H184-Q219 PolarHBondContact O-OE1 3.49Å; I185-Q219 VanDerWaalsContact CA-OE1 3.31Å; I185-Q219 HydrophobicContact CD1-CB 4.12Å; I185-Q219 HydrophobicContact CD1-CG 4.02Å; S188-Q219 PolarHBondContact OG-OE1 2.96Å; N215-Q219 WeakPolarHBondContact O-CB 3.39Å; N215-Q219 WeakPolarHBondContact O-CG 3.29Å; N215-Q219 PolarHBondContact O-N 2.84Å; E216-Q219 PolarHBondContact O-N 2.94Å; I217-Q219 VanDerWaalsContact C-N 3.3Å; I217-Q219 PolarHBondContact O-N 2.68Å; Q219-K223 WeakPolarHBondContact O-CB 3.44Å; Q219-K223 PolarHBondContact O-N 3.29Å
220S98.7Very high98Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-68.8-48.2-172.7-60.60000111.7S188 E216 I217 A222 K223 T224 F228S188-S220 WeakPolarHBondContact CB-OG 3.39Å; S188-S220 PolarHBondContact OG-OG 3.49Å; E216-S220 WeakPolarHBondContact O-CB 3.34Å; E216-S220 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-OG 3.05Å; I217-S220 PolarHBondContact O-N 2.82Å; S220-A222 PolarHBondContact O-N 2.89Å; S220-K223 PolarHBondContact O-N 2.93Å; S220-T224 WeakPolarHBondContact O-CG2 3.31Å; S220-T224 PolarHBondContact O-N 2.92Å; S220-T224 PolarHBondContact O-OG1 3.14Å; S220-F228 VanDerWaalsContact CB-CG 3.5Å
221E98.6Very high98.2Very high47 Ų4736 Ų3622%0.2218%0.184CC..Hα-helixtrans-70.1-33.6-179-55.9-160.317000112F124 I217 G225 Q226 R227 F228F124-E221 HydrophobicContact CE2-CB 3.88Å; F124-E221 HydrophobicContact CZ-CB 4.11Å; I217-E221 HydrophobicContact CG2-CG 4.04Å; I217-E221 WeakPolarHBondContact O-CB 3.32Å; I217-E221 VanDerWaalsContact O-CG 3.3Å; I217-E221 WeakPolarHBondContact O-CG 3.46Å; I217-E221 PolarHBondContact O-N 2.97Å; E221-G225 VanDerWaalsContact O-CA 3.26Å; E221-G225 WeakPolarHBondContact O-CA 3.33Å; E221-G225 PolarHBondContact O-N 3.35Å; E221-Q226 VanDerWaalsContact CG-O 3.26Å; E221-Q226 WeakPolarHBondContact CG-O 3.41Å; E221-R227 VanDerWaalsContact OE1-CA 3.29Å; E221-R227 WeakPolarHBondContact OE1-CA 3.22Å; E221-F228 HydrophobicContact CG-CB 3.86Å; E221-F228 PolarHBondContact OE1-N 3.4Å
222A98.5Very high98.3Very high7 Ų735.7 Ų35.76%0.05818%0.176CC..Hα-helixtrans-65.3-39.517200000112.4L104 K107 Y109 Y119 A218 S220L104-A222 HydrophobicContact CD2-CB 3.87Å; K107-A222 WeakPolarHBondContact CD-O 3.36Å; K107-A222 PolarHBondContact NZ-O 3.46Å; K107-A222 VanDerWaalsContact NZ-O 3.09Å; Y109-A222 HydrophobicContact CD1-CB 3.72Å; Y109-A222 HydrophobicContact CD2-CB 3.86Å; Y109-A222 HydrophobicContact CE1-CB 3.87Å; Y109-A222 HydrophobicContact CE2-CB 4.01Å; Y109-A222 HydrophobicContact CG-CB 3.71Å; Y119-A222 HydrophobicContact CE2-CB 4.32Å; A218-A222 WeakPolarHBondContact O-CB 3.43Å; A218-A222 PolarHBondContact O-N 2.87Å; S220-A222 PolarHBondContact O-N 2.89Å
223K98.5Very high98.4Very high52 Ų5235.9 Ų35.923%0.22618%0.177CC..Hα-helixtrans-67.8-46.8174.8173.6-174.1165.6-97.10111.7F100 T103 L104 K107 D197 Q219 S220F100-K223 HydrophobicContact CD1-CB 4.24Å; F100-K223 HydrophobicContact CD1-CD 3.74Å; F100-K223 HydrophobicContact CD1-CG 4.44Å; F100-K223 HydrophobicContact CD2-CD 3.3Å; F100-K223 HydrophobicContact CE1-CB 3.6Å; F100-K223 HydrophobicContact CE1-CD 3.66Å; F100-K223 HydrophobicContact CE1-CG 4.19Å; F100-K223 HydrophobicContact CE2-CB 4.45Å; F100-K223 HydrophobicContact CE2-CD 3.26Å; F100-K223 HydrophobicContact CE2-CG 4.45Å; F100-K223 HydrophobicContact CG-CD 3.58Å; F100-K223 HydrophobicContact CZ-CB 3.76Å; F100-K223 HydrophobicContact CZ-CD 3.46Å; F100-K223 VanDerWaalsContact CZ-CD 3.46Å; F100-K223 HydrophobicContact CZ-CG 4.22Å; T103-K223 HydrophobicContact CG2-CG 4.13Å; L104-K223 HydrophobicContact CD2-CB 4.23Å; K107-K223 PolarHBondContact NZ-O 3.49Å; D197-K223 IonicContact OD1-NZ 3.89Å; Q219-K223 WeakPolarHBondContact O-CB 3.44Å; Q219-K223 PolarHBondContact O-N 3.29Å; S220-K223 PolarHBondContact O-N 2.93Å
224T98.1Very high98.4Very high24 Ų2436.9 Ų36.915%0.14718%0.182CC..Hα-helixtrans-95.4-24.7-166.964.50000113.1D197 S220 Q226D197-T224 HydrophobicContact CB-CG2 3.78Å; D197-T224 VanDerWaalsContact CG-CG2 3.5Å; D197-T224 VanDerWaalsContact OD1-CG2 3.25Å; D197-T224 WeakPolarHBondContact OD1-CG2 3.22Å; S220-T224 WeakPolarHBondContact O-CG2 3.31Å; S220-T224 PolarHBondContact O-N 2.92Å; S220-T224 PolarHBondContact O-OG1 3.14Å; T224-Q226 PolarHBondContact O-N 3.49Å; T224-Q226 PolarHBondContact OG1-N 3.43Å; T224-Q226 VanDerWaalsContact OG1-N 3.14Å; T224-Q226 PolarHBondContact OG1-O 2.96Å
225G97.9Very high98.4Very high68 Ų6837.1 Ų37.170%0.70118%0.183SC*.SBendtrans67.316.4-168.500000113.4E221E221-G225 VanDerWaalsContact O-CA 3.26Å; E221-G225 WeakPolarHBondContact O-CA 3.33Å; E221-G225 PolarHBondContact O-N 3.35Å
226Q98.1Very high98.3Very high91 Ų9137 Ų3743%0.42518%0.183SC..SBendtrans-124.5155.7-177.5-65.2172.370.700109.3D197 E221 T224 F228D197-Q226 PolarHBondContact OD2-NE2 3.31Å; D197-Q226 VanDerWaalsContact OD2-NE2 3.11Å; E221-Q226 VanDerWaalsContact CG-O 3.26Å; E221-Q226 WeakPolarHBondContact CG-O 3.41Å; T224-Q226 PolarHBondContact O-N 3.49Å; T224-Q226 PolarHBondContact OG1-N 3.43Å; T224-Q226 VanDerWaalsContact OG1-N 3.14Å; T224-Q226 PolarHBondContact OG1-O 2.96Å; Q226-F228 PolarHBondContact O-N 3.36Å
227R98.1Very high98Very high159 Ų15941.9 Ų41.960%0.620%0.202SC*.  trans-58.4131.4171.6174.6174.1-75.2-177.9-6.9109.8T198 E221 A229T198-R227 VanDerWaalsContact CB-O 3.3Å; T198-R227 WeakPolarHBondContact CB-O 3.23Å; T198-R227 WeakPolarHBondContact CG2-O 3.16Å; T198-R227 PolarHBondContact OG1-O 2.9Å; E221-R227 VanDerWaalsContact OE1-CA 3.29Å; E221-R227 WeakPolarHBondContact OE1-CA 3.22Å; R227-A229 WeakPolarHBondContact CD-O 3.43Å; R227-A229 WeakPolarHBondContact CG-O 3.48Å
228F98.6Very high97.8Very high0 Ų041.6 Ų41.60%020%0.2CC..SBendtrans-73.8-47.6-175.8178.1-143.4000112.5A191 T192 T198 I199 H202 E216 S220 E221 Q226 W232A191-F228 HydrophobicContact CB-CE2 3.88Å; A191-F228 HydrophobicContact CB-CZ 3.66Å; T192-F228 HydrophobicContact CG2-CD2 4.12Å; T192-F228 HydrophobicContact CG2-CE2 3.79Å; T198-F228 WeakPolarHBondContact CA-O 3.4Å; I199-F228 PolarHBondContact N-O 3.31Å; H202-F228 AromaticContact CD2-CE1 3.6Å; H202-F228 AromaticContact CD2-CZ 3.68Å; H202-F228 AromaticContact NE2-CE1 3.78Å; H202-F228 AromaticContact NE2-CZ 3.84Å; E216-F228 HydrophobicContact CB-CD1 4.4Å; E216-F228 HydrophobicContact CB-CE1 3.85Å; S220-F228 VanDerWaalsContact CB-CG 3.5Å; E221-F228 HydrophobicContact CG-CB 3.86Å; E221-F228 PolarHBondContact OE1-N 3.4Å; Q226-F228 PolarHBondContact O-N 3.36Å; F228-W232 AromaticContact CD1-CH2 3.8Å; F228-W232 HydrophobicContact CD1-CH2 3.8Å; F228-W232 AromaticContact CD1-CZ2 3.75Å; F228-W232 HydrophobicContact CD1-CZ2 3.75Å; F228-W232 AromaticContact CE1-CH2 3.86Å; F228-W232 HydrophobicContact CE1-CH2 3.86Å; F228-W232 HydrophobicContact CE1-CZ2 4.26Å
229A98.6Very high97.4Very high4 Ų442.6 Ų42.63%0.03321%0.207CC..EExtended strand (participates in β ladder)trans-137.8142.8178.400000111.8I199 H202 R227 W232I199-A229 HydrophobicContact CD1-CB 4.35Å; I199-A229 HydrophobicContact CG1-CB 3.71Å; I199-A229 CarbonylContact O-C 3.57Å; I199-A229 VanDerWaalsContact O-CA 3.31Å; I199-A229 WeakPolarHBondContact O-CA 3.35Å; H202-A229 HydrophobicContact CB-CB 3.82Å; R227-A229 WeakPolarHBondContact CD-O 3.43Å; R227-A229 WeakPolarHBondContact CG-O 3.48Å; A229-W232 HydrophobicContact CB-CZ2 3.97Å
230N98.5Very high96.8Very high73 Ų7343.7 Ų43.739%0.3921%0.213SC..EExtended strand (participates in β ladder)trans-74.5-35.7176.6-68-46.9000112.4I199 D200I199-N230 PolarHBondContact O-N 3.47Å; D200-N230 WeakPolarHBondContact O-CB 3.19Å; D200-N230 PolarHBondContact O-N 2.9Å
231Y98.2Very high95.9Very high160 Ų16045 Ų4563%0.62723%0.226SC*.EExtended strand (participates in β ladder)trans-134.2137.1179.6-60.1-82.6000111.4D200 I201 H202D200-Y231 WeakPolarHBondContact O-CD2 3.31Å; D200-Y231 PolarHBondContact O-N 2.9Å; I201-Y231 WeakPolarHBondContact CA-O 3.41Å; I201-Y231 HydrophobicContact CG1-CD2 4.47Å; H202-Y231 PolarHBondContact N-O 3.09Å
232W98.4Very high94.8Very high44 Ų4450.2 Ų50.217%0.16725%0.251CS..EExtended strand (participates in β ladder)trans-108.2132.8170.9-68.790.1000109.7L130 H202 H213 I217 F228 A229L130-W232 HydrophobicContact CD1-CB 3.6Å; L130-W232 HydrophobicContact CD1-CD2 4.09Å; L130-W232 HydrophobicContact CD1-CG 3.5Å; L130-W232 HydrophobicContact CD2-CD2 3.84Å; L130-W232 HydrophobicContact CD2-CE3 3.9Å; L130-W232 HydrophobicContact CD2-CG 4.16Å; L130-W232 HydrophobicContact CD2-CZ3 4.4Å; L130-W232 HydrophobicContact CG-CG 4.49Å; H202-W232 HydrophobicContact CB-CD2 4.08Å; H202-W232 HydrophobicContact CB-CE3 3.63Å; H202-W232 HydrophobicContact CB-CH2 3.88Å; H202-W232 HydrophobicContact CB-CZ2 4.26Å; H202-W232 HydrophobicContact CB-CZ3 3.53Å; H202-W232 AromaticContact CD2-CH2 3.98Å; H202-W232 AromaticContact CE1-CZ3 3.83Å; H202-W232 AromaticContact CG-CE3 3.92Å; H202-W232 AromaticContact CG-CH2 3.65Å; H202-W232 AromaticContact CG-CZ3 3.32Å; H202-W232 AromaticContact ND1-CE3 3.88Å; H202-W232 AromaticContact ND1-CH2 3.87Å; H202-W232 AromaticContact ND1-CZ3 3.19Å; H202-W232 WeakPolarHBondContact ND1-CZ3 3.3Å; H202-W232 WeakPolarHBondContact O-CA 3.28Å; H213-W232 HydrophobicContact CB-CE3 3.83Å; H213-W232 HydrophobicContact CB-CH2 4.03Å; H213-W232 HydrophobicContact CB-CZ3 3.34Å; H213-W232 AromaticContact CD2-CZ3 4Å; H213-W232 AromaticContact CG-CE3 3.77Å; H213-W232 AromaticContact CG-CZ3 3.32Å; H213-W232 AromaticContact ND1-CE3 3.39Å; H213-W232 AromaticContact ND1-CZ3 3.41Å; H213-W232 WeakPolarHBondContact ND1-CZ3 3.32Å; I217-W232 HydrophobicContact CD1-CH2 4.25Å; I217-W232 HydrophobicContact CD1-CZ2 3.58Å; I217-W232 HydrophobicContact CG1-CH2 3.82Å; I217-W232 HydrophobicContact CG1-CZ2 3.2Å; F228-W232 AromaticContact CD1-CH2 3.8Å; F228-W232 HydrophobicContact CD1-CH2 3.8Å; F228-W232 AromaticContact CD1-CZ2 3.75Å; F228-W232 HydrophobicContact CD1-CZ2 3.75Å; F228-W232 AromaticContact CE1-CH2 3.86Å; F228-W232 HydrophobicContact CE1-CH2 3.86Å; F228-W232 HydrophobicContact CE1-CZ2 4.26Å; A229-W232 HydrophobicContact CB-CZ2 3.97Å
233M98.5Very high93.8Very high7 Ų757.4 Ų57.43%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-130.9127.8-177.5-65.2-177.874.600109.9F23 I26 I201 H202 G203 G204 Y278 F342F23-M233 HydrophobicContact CE1-CB 3.81Å; F23-M233 HydrophobicContact CZ-CB 4.14Å; F23-M233 WeakPolarHBondContact CZ-O 3.35Å; I26-M233 HydrophobicContact CD1-CE 3.42Å; I26-M233 VanDerWaalsContact CD1-CE 3.42Å; I26-M233 HydrophobicContact CG1-CE 4.14Å; I26-M233 HydrophobicContact CG2-CE 4.29Å; I201-M233 HydrophobicContact CD1-SD 4.19Å; I201-M233 HydrophobicContact CG1-SD 4.44Å; I201-M233 HydrophobicContact CG2-CB 4.48Å; I201-M233 HydrophobicContact CG2-CG 4.01Å; I201-M233 HydrophobicContact CG2-SD 3.51Å; I201-M233 VanDerWaalsContact CG2-SD 3.51Å; H202-M233 PolarHBondContact O-N 2.99Å; G203-M233 VanDerWaalsContact CA-O 3.28Å; G203-M233 WeakPolarHBondContact CA-O 3.35Å; G204-M233 PolarHBondContact N-O 3.05Å; G204-M233 VanDerWaalsContact N-O 3.09Å; M233-Y278 HydrophobicContact CB-CE2 4Å; M233-Y278 HydrophobicContact CE-CE1 3.83Å; M233-Y278 HydrophobicContact CE-CE2 3.89Å; M233-Y278 VanDerWaalsContact CE-CZ 3.44Å; M233-Y278 WeakPolarHBondContact CE-OH 3.25Å; M233-F342 HydrophobicContact CE-CD2 3.56Å; M233-F342 HydrophobicContact CE-CE2 3.29Å; M233-F342 HydrophobicContact CE-CZ 4.19Å; M233-F342 HydrophobicContact SD-CE2 4.2Å
234H98.1Very high93Very high20 Ų2058.3 Ų58.39%0.09330%0.295CS..EExtended strand (participates in β ladder)trans-127.4124.5-179.8-56.785.9000111.7G204 Q206 E209 H213 Y278G204-H234 CarbonylContact O-C 3.53Å; G204-H234 VanDerWaalsContact O-CA 3.22Å; G204-H234 WeakPolarHBondContact O-CA 3.47Å; Q206-H234 HydrophobicContact CB-CB 4.39Å; E209-H234 VanDerWaalsContact CA-NE2 3.35Å; E209-H234 WeakPolarHBondContact CA-NE2 3.29Å; E209-H234 WeakPolarHBondContact CB-NE2 3.34Å; H213-H234 AromaticContact CE1-CD2 3.79Å; H213-H234 AromaticContact CE1-NE2 3.58Å; H213-H234 AromaticContact CG-NE2 3.9Å; H213-H234 AromaticContact ND1-CD2 3.57Å; H213-H234 AromaticContact ND1-CE1 3.8Å; H213-H234 AromaticContact ND1-NE2 2.9Å; H213-H234 PolarHBondContact ND1-NE2 3.05Å; H234-Y278 WeakPolarHBondContact O-CE2 3.5Å
235N97.8Very high92.2Very high7 Ų759 Ų594%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-79.3144175.670.6-92.1000111.4S19 A22 G204 G205 Q206 Y278S19-N235 VanDerWaalsContact CA-OD1 3.26Å; S19-N235 WeakPolarHBondContact CA-OD1 3.45Å; S19-N235 WeakPolarHBondContact CB-OD1 3.42Å; S19-N235 PolarHBondContact OG-OD1 2.66Å; A22-N235 HydrophobicContact CB-CB 4.14Å; G204-N235 PolarHBondContact O-N 3.42Å; G204-N235 PolarHBondContact O-OD1 2.98Å; G204-N235 VanDerWaalsContact O-OD1 3.05Å; G205-N235 VanDerWaalsContact CA-OD1 3.31Å; G205-N235 WeakPolarHBondContact CA-OD1 3.43Å; G205-N235 PolarHBondContact N-OD1 2.96Å; Q206-N235 WeakPolarHBondContact CB-O 3.43Å; Q206-N235 PolarHBondContact N-O 3.2Å; N235-Y278 CarbonylContact C-O 3.44Å; N235-Y278 WeakPolarHBondContact CA-O 3.41Å; N235-Y278 HydrophobicContact CB-CD2 4.49Å
236G95.9Very high91.3Very high0 Ų063.6 Ų63.60%030%0.304CS..PPolyproline II helixtrans-68.1160.3176.500000112.8Y278 R279G236-Y278 PolarHBondContact N-O 3.22Å; G236-R279 WeakPolarHBondContact CA-O 3.43Å
237Y93.5Very high90.4Very high101 Ų10160.6 Ų60.640%0.39629%0.291SS..PPolyproline II helixtrans-67.4155-179.9-65.3-57.1000113.7Q206 D207 P281 I282Q206-Y237 HydrophobicContact CB-CE1 4.39Å; Q206-Y237 HydrophobicContact CB-CE2 4.36Å; Q206-Y237 HydrophobicContact CG-CE2 4.38Å; D207-Y237 VanDerWaalsContact CA-OH 3.28Å; D207-Y237 WeakPolarHBondContact CA-OH 3.41Å; D207-Y237 HydrophobicContact CB-CE1 3.81Å; D207-Y237 WeakPolarHBondContact CB-OH 3.39Å; D207-Y237 PolarHBondContact N-OH 3.35Å; D207-Y237 VanDerWaalsContact N-OH 3.15Å; Y237-P281 CarbonylContact O-C 3.52Å; Y237-P281 VanDerWaalsContact O-CA 3.23Å; Y237-P281 WeakPolarHBondContact O-CA 3.47Å; Y237-I282 PolarHBondContact O-N 3.43Å
238V93Very high89.4Confident9 Ų954.5 Ų54.56%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-94.3127.7162.6-174.40000109I14 R18 M247 I282I14-V238 HydrophobicContact CD1-CG1 4.42Å; I14-V238 HydrophobicContact CG2-CB 4.48Å; I14-V238 HydrophobicContact CG2-CG1 3.9Å; R18-V238 HydrophobicContact CB-CG2 3.42Å; R18-V238 VanDerWaalsContact CB-CG2 3.42Å; R18-V238 HydrophobicContact CG-CG2 3.8Å; V238-M247 HydrophobicContact CB-CE 3.73Å; V238-M247 HydrophobicContact CG1-CE 4.1Å; V238-I282 CarbonylContact C-O 3.49Å; V238-I282 VanDerWaalsContact CA-O 3.3Å; V238-I282 WeakPolarHBondContact CA-O 3.48Å; V238-I282 HydrophobicContact CB-CG2 4.15Å; V238-I282 HydrophobicContact CG1-CG2 4.21Å; V238-I282 HydrophobicContact CG2-CG2 3.63Å
239T90.5Very high88.2Confident22 Ų2259.9 Ų59.914%0.13530%0.295CS..EExtended strand (participates in β ladder)trans-104.9154170.859.20000109.9D244 I282 R283 Y284T239-D244 HydrophobicContact CG2-CB 4.08Å; T239-D244 PolarHBondContact OG1-OD1 2.98Å; T239-I282 PolarHBondContact N-O 3.41Å; T239-R283 WeakPolarHBondContact OG1-CA 3.3Å; T239-Y284 PolarHBondContact O-N 3.3Å
240I86.3Confident86.9Confident23 Ų2365.1 Ų65.112%0.11833%0.332CS..EExtended strand (participates in β ladder)trans-119.7136.9179.6-70.5-165.4000111.1I14 A245 M247 N253 V255 Y284I14-I240 HydrophobicContact CG2-CD1 4.35Å; I240-A245 PolarHBondContact N-O 2.82Å; I240-A245 WeakPolarHBondContact O-CB 3.46Å; I240-A245 PolarHBondContact O-N 3.34Å; I240-M247 HydrophobicContact CB-CG 4.21Å; I240-M247 HydrophobicContact CD1-CG 3.45Å; I240-M247 VanDerWaalsContact CD1-CG 3.45Å; I240-M247 HydrophobicContact CD1-SD 3.34Å; I240-M247 WeakPolarHBondContact CD1-SD 3.38Å; I240-M247 HydrophobicContact CG1-CG 3.52Å; I240-M247 HydrophobicContact CG1-SD 3.8Å; I240-N253 VanDerWaalsContact CD1-O 3.29Å; I240-N253 WeakPolarHBondContact CD1-O 3.31Å; I240-N253 HydrophobicContact CG2-CB 4.28Å; I240-V255 HydrophobicContact CD1-CB 4.42Å; I240-V255 HydrophobicContact CD1-CG2 3.91Å; I240-Y284 HydrophobicContact CD1-CD1 4.17Å; I240-Y284 HydrophobicContact CG1-CD1 4.13Å
241G79.3Confident85.8Confident28 Ų2867.3 Ų67.329%0.28934%0.343SS..THydrogen-bonded Turntrans88.6-178.8175.700000113.8D243 R283 Y284G241-D243 VanDerWaalsContact C-N 3.34Å; G241-R283 WeakPolarHBondContact O-CD 3.16Å; G241-R283 WeakPolarHBondContact O-CG 3.31Å; G241-Y284 PolarHBondContact N-O 3.27Å
242E75.5Confident84.7Confident156 Ų15662.8 Ų62.873%0.72935%0.346SS*.THydrogen-bonded Turntrans-74.1-26-177.7-62.1-167.115400113.2R283E242-R283 PolarHBondContact O-NH1 3.35Å
243D79.6Confident83.7Confident157 Ų15762.2 Ų62.284%0.8435%0.346SS*.THydrogen-bonded Turntrans-91.811.9-178.7-62.1-37.2000113.8G241 A245G241-D243 VanDerWaalsContact C-N 3.34Å; D243-A245 VanDerWaalsContact C-N 3.29Å; D243-A245 PolarHBondContact O-N 3.21Å
244D80.4Confident82.9Confident72 Ų7264.3 Ų64.339%0.38536%0.355SS..THydrogen-bonded Turntrans54.539.9-177.1-70-44.2000114.1T239 K246 R283T239-D244 HydrophobicContact CG2-CB 4.08Å; T239-D244 PolarHBondContact OG1-OD1 2.98Å; D244-K246 PolarHBondContact O-N 3.37Å; D244-R283 VanDerWaalsContact CG-NH2 3.32Å; D244-R283 WeakPolarHBondContact OD1-CG 3.35Å; D244-R283 IonicContact OD1-CZ 3.85Å; D244-R283 IonicContact OD1-NE 3.13Å; D244-R283 PolarHBondContact OD1-NE 3.16Å; D244-R283 IonicContact OD1-NH2 3.96Å; D244-R283 PolarHBondContact OD1-NH2 2.75Å; D244-R283 IonicContact OD2-CZ 3.87Å; D244-R283 IonicContact OD2-NE 2.65Å; D244-R283 IonicContact OD2-NH2 2.78Å; D244-R283 PolarHBondContact OD2-NH2 3.2Å
245A81Confident82.4Confident39 Ų3965.3 Ų65.332%0.32236%0.362SS..EExtended strand (participates in β ladder)trans-63.4133.6-178.300000111.2I240 D243 M247I240-A245 PolarHBondContact N-O 2.82Å; I240-A245 WeakPolarHBondContact O-CB 3.46Å; I240-A245 PolarHBondContact O-N 3.34Å; D243-A245 VanDerWaalsContact C-N 3.29Å; D243-A245 PolarHBondContact O-N 3.21Å; A245-M247 PolarHBondContact O-N 3.29Å
246K79.6Confident82.2Confident164 Ų16465.5 Ų65.571%0.71336%0.364SS*.EExtended strand (participates in β ladder)trans-59.8136.9170-174.4173.7-178.5172.10109.1D244 S248 L251 N253D244-K246 PolarHBondContact O-N 3.37Å; K246-S248 PolarHBondContact O-N 3.49Å; K246-L251 WeakPolarHBondContact O-CD1 3.47Å; K246-N253 PolarHBondContact O-ND2 3.26Å
247M80.1Confident82.2Confident28 Ų2865.5 Ų65.514%0.13836%0.364CS..PPolyproline II helixtrans-69.7131.7172.6-72.3-171.9-7500111.2I14 V238 I240 A245I14-M247 HydrophobicContact CG2-CE 3.62Å; I14-M247 HydrophobicContact CG2-SD 3.34Å; I14-M247 WeakPolarHBondContact CG2-SD 3.39Å; V238-M247 HydrophobicContact CB-CE 3.73Å; V238-M247 HydrophobicContact CG1-CE 4.1Å; I240-M247 HydrophobicContact CB-CG 4.21Å; I240-M247 HydrophobicContact CD1-CG 3.45Å; I240-M247 VanDerWaalsContact CD1-CG 3.45Å; I240-M247 HydrophobicContact CD1-SD 3.34Å; I240-M247 WeakPolarHBondContact CD1-SD 3.38Å; I240-M247 HydrophobicContact CG1-CG 3.52Å; I240-M247 HydrophobicContact CG1-SD 3.8Å; A245-M247 PolarHBondContact O-N 3.29Å
248S76.1Confident82.4Confident31 Ų3162.2 Ų62.222%0.21735%0.352CS..  trans-151.3150.5162.3810000111.1K246 S250 L251 G252 N253K246-S248 PolarHBondContact O-N 3.49Å; S248-S250 PolarHBondContact O-N 3.09Å; S248-S250 PolarHBondContact OG-N 3.48Å; S248-S250 PolarHBondContact OG-OG 3.29Å; S248-L251 PolarHBondContact O-N 3.09Å; S248-L251 WeakPolarHBondContact OG-CB 3.32Å; S248-L251 VanDerWaalsContact OG-CG 3.23Å; S248-L251 WeakPolarHBondContact OG-CG 3.47Å; S248-L251 PolarHBondContact OG-N 3.27Å; S248-G252 PolarHBondContact O-N 3.02Å; S248-N253 PolarHBondContact N-OD1 3.49Å; S248-N253 PolarHBondContact O-OD1 2.8Å; S248-N253 VanDerWaalsContact O-OD1 3.14Å
249K73Confident82.4Confident112 Ų11265.5 Ų65.549%0.48737%0.369SS..G310 helixtrans-59.8-32.9171.4-71.2-175.7175-174.30111.9N10 G252 F254N10-K249 PolarHBondContact ND2-NZ 2.99Å; K249-G252 PolarHBondContact O-N 3.44Å; K249-F254 HydrophobicContact CG-CB 4.03Å; K249-F254 HydrophobicContact CG-CD1 4.07Å; K249-F254 HydrophobicContact CG-CD2 3.88Å; K249-F254 HydrophobicContact CG-CE1 4.47Å; K249-F254 HydrophobicContact CG-CE2 4.28Å; K249-F254 HydrophobicContact CG-CG 3.73Å
250S72.8Confident82.6Confident115 Ų11564.7 Ų64.780%0.80436%0.364SS*.G310 helixtrans-70.9-28.1179.955.80000113.8S248 G252S248-S250 PolarHBondContact O-N 3.09Å; S248-S250 PolarHBondContact OG-N 3.48Å; S248-S250 PolarHBondContact OG-OG 3.29Å; S250-G252 VanDerWaalsContact C-N 3.31Å
251L74.2Confident83Confident118 Ų11865.2 Ų65.262%0.61837%0.368SS*.G310 helixtrans-84.1-7.2175.1-70.2171.4000112.5K246 S248 N253K246-L251 WeakPolarHBondContact O-CD1 3.47Å; S248-L251 PolarHBondContact O-N 3.09Å; S248-L251 WeakPolarHBondContact OG-CB 3.32Å; S248-L251 VanDerWaalsContact OG-CG 3.23Å; S248-L251 WeakPolarHBondContact OG-CG 3.47Å; S248-L251 PolarHBondContact OG-N 3.27Å; L251-N253 WeakPolarHBondContact CB-OD1 3.36Å; L251-N253 PolarHBondContact O-N 2.98Å; L251-N253 VanDerWaalsContact O-N 3.15Å
252G74.4Confident83.7Confident66 Ų6670.2 Ų70.268%0.6838%0.382SS*.THydrogen-bonded Turntrans70.31.3-178.200000114.5S248 K249 S250 F254S248-G252 PolarHBondContact O-N 3.02Å; K249-G252 PolarHBondContact O-N 3.44Å; S250-G252 VanDerWaalsContact C-N 3.31Å; G252-F254 VanDerWaalsContact C-N 3.3Å; G252-F254 PolarHBondContact O-N 3.36Å
253N78.3Confident84.5Confident31 Ų3170.7 Ų70.717%0.16638%0.384CS..  trans-93.625.9178.370.9-18.4000112.3I240 K246 S248 L251I240-N253 VanDerWaalsContact CD1-O 3.29Å; I240-N253 WeakPolarHBondContact CD1-O 3.31Å; I240-N253 HydrophobicContact CG2-CB 4.28Å; K246-N253 PolarHBondContact O-ND2 3.26Å; S248-N253 PolarHBondContact N-OD1 3.49Å; S248-N253 PolarHBondContact O-OD1 2.8Å; S248-N253 VanDerWaalsContact O-OD1 3.14Å; L251-N253 WeakPolarHBondContact CB-OD1 3.36Å; L251-N253 PolarHBondContact O-N 2.98Å; L251-N253 VanDerWaalsContact O-N 3.15Å
254F80.6Confident85.1Confident51 Ų5165 Ų6522%0.22435%0.353CS..  trans-90.4121.6179.9-178.9-90.6000109.9H13 K249 G252 T256H13-F254 HydrophobicContact CB-CD2 4.27Å; H13-F254 HydrophobicContact CB-CE1 4.18Å; H13-F254 HydrophobicContact CB-CE2 3.55Å; H13-F254 HydrophobicContact CB-CZ 3.51Å; H13-F254 AromaticContact CD2-CE2 3.33Å; H13-F254 WeakPolarHBondContact CD2-CE2 3.4Å; H13-F254 AromaticContact CD2-CZ 3.6Å; H13-F254 AromaticContact CG-CE2 3.61Å; H13-F254 AromaticContact CG-CZ 3.89Å; K249-F254 HydrophobicContact CG-CB 4.03Å; K249-F254 HydrophobicContact CG-CD1 4.07Å; K249-F254 HydrophobicContact CG-CD2 3.88Å; K249-F254 HydrophobicContact CG-CE1 4.47Å; K249-F254 HydrophobicContact CG-CE2 4.28Å; K249-F254 HydrophobicContact CG-CG 3.73Å; G252-F254 VanDerWaalsContact C-N 3.3Å; G252-F254 PolarHBondContact O-N 3.36Å; F254-T256 HydrophobicContact CD1-CG2 4.42Å; F254-T256 HydrophobicContact CE1-CG2 3.87Å
255V88.7Confident85.8Confident41 Ų4165.1 Ų65.125%0.24835%0.354CS..  trans-122.5129.4-176.9-166.40000110.6H13 I14 I240 L260H13-V255 WeakPolarHBondContact CA-O 3.5Å; H13-V255 WeakPolarHBondContact CB-O 3.26Å; I14-V255 PolarHBondContact N-O 3Å; I240-V255 HydrophobicContact CD1-CB 4.42Å; I240-V255 HydrophobicContact CD1-CG2 3.91Å; V255-L260 HydrophobicContact CB-CD1 4.36Å; V255-L260 HydrophobicContact CG1-CD1 3.66Å; V255-L260 HydrophobicContact CG1-CD2 3.65Å; V255-L260 HydrophobicContact CG1-CG 3.43Å; V255-L260 VanDerWaalsContact CG1-CG 3.43Å
256T94.2Very high86.5Confident12 Ų1264.9 Ų64.97%0.07435%0.349CS..BIsolated β-bridgetrans-87.1151.3178.271.20000111I12 F254 H258 D259 L260I12-T256 CarbonylContact O-C 3.36Å; I12-T256 WeakPolarHBondContact O-CA 3.29Å; F254-T256 HydrophobicContact CD1-CG2 4.42Å; F254-T256 HydrophobicContact CE1-CG2 3.87Å; T256-H258 VanDerWaalsContact C-N 3.32Å; T256-D259 PolarHBondContact O-N 3.08Å; T256-D259 WeakPolarHBondContact OG1-CB 3.33Å; T256-D259 PolarHBondContact OG1-N 3.14Å; T256-D259 PolarHBondContact OG1-OD2 2.86Å; T256-L260 VanDerWaalsContact O-CG 3.3Å; T256-L260 WeakPolarHBondContact O-CG 3.46Å; T256-L260 PolarHBondContact O-N 3.11Å; T256-L260 VanDerWaalsContact O-N 3.14Å
257V95.9Very high87.3Confident0 Ų059.5 Ų59.50%033%0.327CS..Hα-helixtrans-63-46.1171177.60000109.7I12 A17 D75 L79 D259 L260 V261I12-V257 HydrophobicContact CD1-CB 4.35Å; I12-V257 HydrophobicContact CD1-CG2 3.92Å; I12-V257 HydrophobicContact CG1-CB 4.14Å; I12-V257 HydrophobicContact CG1-CG2 3.93Å; I12-V257 PolarHBondContact O-N 3.09Å; A17-V257 HydrophobicContact CB-CG2 3.58Å; D75-V257 HydrophobicContact CB-CB 4.15Å; D75-V257 HydrophobicContact CB-CG1 3.84Å; L79-V257 HydrophobicContact CD1-CG1 3.63Å; L79-V257 HydrophobicContact CD1-CG2 4.35Å; L79-V257 HydrophobicContact CG-CG1 4.12Å; V257-D259 PolarHBondContact O-N 3.13Å; V257-D259 VanDerWaalsContact O-N 3.1Å; V257-L260 PolarHBondContact O-N 3.01Å; V257-V261 HydrophobicContact CG1-CG1 3.92Å; V257-V261 WeakPolarHBondContact O-CG2 3.35Å; V257-V261 PolarHBondContact O-N 3.45Å
258H96.1Very high88.1Confident32 Ų3258.5 Ų58.515%0.14832%0.322CS..Hα-helixtrans-48.5-37.1177.6-168.371000114.2Y11 D75 T256 K262Y11-H258 HydrophobicContact CD1-CB 3.62Å; Y11-H258 AromaticContact CD1-CG 3.57Å; Y11-H258 AromaticContact CD1-ND1 3.94Å; Y11-H258 HydrophobicContact CE1-CB 4.2Å; Y11-H258 AromaticContact CE1-CD2 3.81Å; Y11-H258 AromaticContact CE1-CE1 3.97Å; Y11-H258 AromaticContact CE1-CG 3.62Å; Y11-H258 AromaticContact CE1-ND1 3.72Å; Y11-H258 HydrophobicContact CG-CB 4.03Å; D75-H258 VanDerWaalsContact OD1-CA 3.26Å; D75-H258 WeakPolarHBondContact OD1-CA 3.47Å; D75-H258 WeakPolarHBondContact OD1-CB 3.13Å; D75-H258 IonicContact OD1-CG 3.87Å; D75-H258 PolarHBondContact OD1-N 3.13Å; D75-H258 IonicContact OD1-ND1 3.15Å; D75-H258 PolarHBondContact OD1-ND1 3.12Å; D75-H258 PolarHBondContact OD2-N 3.14Å; T256-H258 VanDerWaalsContact C-N 3.32Å; H258-K262 PolarHBondContact CD2-NZ 3Å; H258-K262 PolarHBondContact NE2-NZ 3.5Å; H258-K262 WeakPolarHBondContact O-CE 3.34Å; H258-K262 PolarHBondContact O-NZ 2.98Å
259D94.6Very high89.1Confident78 Ų7857 Ų5742%0.41731%0.312SS..Hα-helixtrans-86.2-36.9176.7-63-38.5000112.5T256 V257 V261 K262T256-D259 PolarHBondContact O-N 3.08Å; T256-D259 WeakPolarHBondContact OG1-CB 3.33Å; T256-D259 PolarHBondContact OG1-N 3.14Å; T256-D259 PolarHBondContact OG1-OD2 2.86Å; V257-D259 PolarHBondContact O-N 3.13Å; V257-D259 VanDerWaalsContact O-N 3.1Å; D259-V261 PolarHBondContact O-N 3.32Å; D259-K262 WeakPolarHBondContact O-CB 3.32Å; D259-K262 PolarHBondContact O-N 2.85Å; D259-K262 IonicContact OD1-NZ 3.49Å; D259-K262 PolarHBondContact OD1-NZ 3.42Å
260L93.2Very high90.3Very high4 Ų451.8 Ų51.82%0.02129%0.289CS..Hα-helixtrans-61.4-41.7179.1-77.6168.6000113.4I14 V255 T256 V257 K262 E263 I264 L269 Y284I14-L260 HydrophobicContact CB-CD1 4.19Å; I14-L260 HydrophobicContact CD1-CD1 4Å; I14-L260 HydrophobicContact CG1-CD1 4.22Å; V255-L260 HydrophobicContact CB-CD1 4.36Å; V255-L260 HydrophobicContact CG1-CD1 3.66Å; V255-L260 HydrophobicContact CG1-CD2 3.65Å; V255-L260 HydrophobicContact CG1-CG 3.43Å; V255-L260 VanDerWaalsContact CG1-CG 3.43Å; T256-L260 VanDerWaalsContact O-CG 3.3Å; T256-L260 WeakPolarHBondContact O-CG 3.46Å; T256-L260 PolarHBondContact O-N 3.11Å; T256-L260 VanDerWaalsContact O-N 3.14Å; V257-L260 PolarHBondContact O-N 3.01Å; L260-K262 PolarHBondContact O-N 3.36Å; L260-K262 VanDerWaalsContact O-N 3.13Å; L260-E263 PolarHBondContact O-N 3.05Å; L260-I264 HydrophobicContact CD2-CD1 4.1Å; L260-I264 PolarHBondContact O-N 3.22Å; L260-L269 HydrophobicContact CB-CD2 4.26Å; L260-L269 HydrophobicContact CD1-CD2 4.32Å; L260-Y284 HydrophobicContact CD2-CE1 4.49Å; L260-Y284 HydrophobicContact CD2-CE2 4.37Å; L260-Y284 WeakPolarHBondContact CD2-OH 3.36Å
261V94.8Very high91.6Very high35 Ų3546.5 Ų46.521%0.21225%0.251CS..Hα-helixtrans-67-12.8-177.9-63.40000113.3A78 V257 D259 P266A78-V261 HydrophobicContact CB-CG1 4.35Å; V257-V261 HydrophobicContact CG1-CG1 3.92Å; V257-V261 WeakPolarHBondContact O-CG2 3.35Å; V257-V261 PolarHBondContact O-N 3.45Å; D259-V261 PolarHBondContact O-N 3.32Å; V261-P266 HydrophobicContact CB-CG 4.01Å; V261-P266 HydrophobicContact CG1-CB 4.27Å; V261-P266 HydrophobicContact CG1-CG 4.03Å
262K94.2Very high92.7Very high133 Ų13341.6 Ų41.658%0.57823%0.225SC*.Hα-helixtrans-80.8-23.9173.4-60.1168.3-173.3153.90112.3H258 D259 L260H258-K262 PolarHBondContact CD2-NZ 3Å; H258-K262 PolarHBondContact NE2-NZ 3.5Å; H258-K262 WeakPolarHBondContact O-CE 3.34Å; H258-K262 PolarHBondContact O-NZ 2.98Å; D259-K262 WeakPolarHBondContact O-CB 3.32Å; D259-K262 PolarHBondContact O-N 2.85Å; D259-K262 IonicContact OD1-NZ 3.49Å; D259-K262 PolarHBondContact OD1-NZ 3.42Å; L260-K262 PolarHBondContact O-N 3.36Å; L260-K262 VanDerWaalsContact O-N 3.13Å
263E92.3Very high93.7Very high166 Ų16638.5 Ų38.578%0.77619%0.193SC*.Hα-helixtrans-108.6-31.2-174.8-61.6-175173.100112.5L260L260-E263 PolarHBondContact O-N 3.05Å
264I92.8Very high94.7Very high36 Ų3637.1 Ų37.119%0.18519%0.186CC..SBendtrans-122.5136.3-174.9-61.7171.1000108.6L260 P266 V268 Y284 M289L260-I264 HydrophobicContact CD2-CD1 4.1Å; L260-I264 PolarHBondContact O-N 3.22Å; I264-P266 WeakPolarHBondContact O-CD 3.3Å; I264-V268 HydrophobicContact CG2-CB 4.12Å; I264-V268 HydrophobicContact CG2-CG1 4.25Å; I264-Y284 WeakPolarHBondContact CD1-OH 3.43Å; I264-M289 HydrophobicContact CD1-CG 4.03Å
265D94.4Very high95.5Very high75 Ų7535.6 Ų35.640%0.40118%0.181SC..  trans-52.3121.2171.3-179.8-19.5000109.8Q267 V268 L269D265-Q267 PolarHBondContact O-N 2.89Å; D265-Q267 VanDerWaalsContact O-N 3.12Å; D265-Q267 WeakPolarHBondContact OD1-CB 3.09Å; D265-Q267 PolarHBondContact OD1-N 3.39Å; D265-V268 HydrophobicContact CB-CB 4.4Å; D265-V268 HydrophobicContact CB-CG2 3.91Å; D265-V268 WeakPolarHBondContact O-CA 3.48Å; D265-V268 WeakPolarHBondContact O-CB 3.35Å; D265-V268 PolarHBondContact O-N 3.13Å; D265-L269 PolarHBondContact O-N 2.92Å
266P96.7Very high95.9Very high34 Ų3435.4 Ų35.422%0.22118%0.18CC..Hα-helixtrans-54.6-31.3180-26.634.3000114A78 L79 V261 I264 V268 L269 R270A78-P266 HydrophobicContact CB-CB 4.42Å; A78-P266 HydrophobicContact CB-CG 4.42Å; A78-P266 WeakPolarHBondContact O-CB 3.49Å; L79-P266 HydrophobicContact CD2-CB 4.44Å; V261-P266 HydrophobicContact CB-CG 4.01Å; V261-P266 HydrophobicContact CG1-CB 4.27Å; V261-P266 HydrophobicContact CG1-CG 4.03Å; I264-P266 WeakPolarHBondContact O-CD 3.3Å; P266-V268 VanDerWaalsContact C-N 3.31Å; P266-V268 PolarHBondContact O-N 2.93Å; P266-L269 PolarHBondContact O-N 2.84Å; P266-R270 VanDerWaalsContact O-CB 3.3Å; P266-R270 WeakPolarHBondContact O-CB 3.41Å; P266-R270 PolarHBondContact O-N 2.88Å
267Q96.5Very high96.1Very high52 Ų5236 Ų3624%0.24318%0.182CC..Hα-helixtrans-67.8-31.2175.5-71.6-15951.100112.6D265 F271 L296 E389D265-Q267 PolarHBondContact O-N 2.89Å; D265-Q267 VanDerWaalsContact O-N 3.12Å; D265-Q267 WeakPolarHBondContact OD1-CB 3.09Å; D265-Q267 PolarHBondContact OD1-N 3.39Å; Q267-F271 WeakPolarHBondContact O-CB 3.3Å; Q267-F271 PolarHBondContact O-N 2.99Å; Q267-L296 HydrophobicContact CB-CD2 3.93Å; Q267-E389 PolarHBondContact NE2-O 3.15Å; Q267-E389 PolarHBondContact OE1-O 2.75Å
268V97.4Very high96.2Very high6 Ų636.3 Ų36.34%0.03618%0.183CC..Hα-helixtrans-68.1-44.2174.3175.40000109.9I264 D265 P266 F271 F272 A292 Q293 L296I264-V268 HydrophobicContact CG2-CB 4.12Å; I264-V268 HydrophobicContact CG2-CG1 4.25Å; D265-V268 HydrophobicContact CB-CB 4.4Å; D265-V268 HydrophobicContact CB-CG2 3.91Å; D265-V268 WeakPolarHBondContact O-CA 3.48Å; D265-V268 WeakPolarHBondContact O-CB 3.35Å; D265-V268 PolarHBondContact O-N 3.13Å; P266-V268 VanDerWaalsContact C-N 3.31Å; P266-V268 PolarHBondContact O-N 2.93Å; V268-F271 PolarHBondContact O-N 3.48Å; V268-F272 WeakPolarHBondContact O-CB 3.38Å; V268-F272 PolarHBondContact O-N 3.43Å; V268-A292 HydrophobicContact CG1-CB 3.94Å; V268-Q293 HydrophobicContact CG1-CB 4.02Å; V268-Q293 HydrophobicContact CG2-CB 4.06Å; V268-Q293 HydrophobicContact CG2-CG 4.09Å; V268-L296 HydrophobicContact CG2-CD2 3.92Å
269L96.9Very high96.2Very high1 Ų140.5 Ų40.51%0.00520%0.197CC..Hα-helixtrans-63.7-43.2176.5-17360.1000111.3I14 L79 L260 D265 P266 F272 M273 Y284 M289I14-L269 HydrophobicContact CD1-CD1 4.05Å; I14-L269 HydrophobicContact CG1-CD1 4.41Å; L79-L269 HydrophobicContact CD2-CB 4.01Å; L79-L269 HydrophobicContact CD2-CD2 3.7Å; L79-L269 HydrophobicContact CD2-CG 3.96Å; L260-L269 HydrophobicContact CB-CD2 4.26Å; L260-L269 HydrophobicContact CD1-CD2 4.32Å; D265-L269 PolarHBondContact O-N 2.92Å; P266-L269 PolarHBondContact O-N 2.84Å; L269-F272 HydrophobicContact CD1-CD1 4.29Å; L269-M273 HydrophobicContact CD1-CE 3.64Å; L269-M273 HydrophobicContact CD2-CE 4.35Å; L269-M273 HydrophobicContact CG-CE 3.9Å; L269-M273 PolarHBondContact O-N 3.48Å; L269-Y284 HydrophobicContact CD1-CE2 4.44Å; L269-M289 HydrophobicContact CD1-SD 4.3Å
270R98.1Very high96.3Very high1 Ų144.9 Ų44.90%0.00421%0.208CC..Hα-helixtrans-58.5-51.6173.417455.6-174.2-139.98.2111.4D24 L79 P266 F272 M273 A274 F386 I388D24-R270 IonicContact OD2-CZ 3.78Å; D24-R270 IonicContact OD2-NH1 2.69Å; D24-R270 PolarHBondContact OD2-NH1 3.45Å; D24-R270 IonicContact OD2-NH2 3.67Å; D24-R270 PolarHBondContact OD2-NH2 2.76Å; L79-R270 VanDerWaalsContact O-CD 3.26Å; L79-R270 WeakPolarHBondContact O-CD 3.37Å; L79-R270 WeakPolarHBondContact O-CG 3.23Å; P266-R270 VanDerWaalsContact O-CB 3.3Å; P266-R270 WeakPolarHBondContact O-CB 3.41Å; P266-R270 PolarHBondContact O-N 2.88Å; R270-F272 PolarHBondContact O-N 2.75Å; R270-M273 PolarHBondContact O-N 3.3Å; R270-A274 WeakPolarHBondContact O-CB 3.29Å; R270-A274 PolarHBondContact O-N 3.43Å; R270-F386 PolarHBondContact NE-O 2.86Å; R270-F386 PolarHBondContact NH2-O 2.76Å; R270-I388 HydrophobicContact CG-CD1 4.1Å
271F98.5Very high96.3Very high5 Ų548.7 Ų48.72%0.02223%0.233CC..Hα-helixtrans-57.6-48.2180-179.8-97000111.9Q267 V268 M273 A274 T275 A292 N295 L296 L299 I348 Y352 I388Q267-F271 WeakPolarHBondContact O-CB 3.3Å; Q267-F271 PolarHBondContact O-N 2.99Å; V268-F271 PolarHBondContact O-N 3.48Å; F271-M273 VanDerWaalsContact C-N 3.34Å; F271-M273 PolarHBondContact O-N 2.93Å; F271-A274 PolarHBondContact O-N 2.85Å; F271-T275 HydrophobicContact CD2-CG2 3.9Å; F271-T275 HydrophobicContact CE1-CG2 4.29Å; F271-T275 HydrophobicContact CE2-CG2 3.57Å; F271-T275 HydrophobicContact CG-CG2 4.38Å; F271-T275 HydrophobicContact CZ-CG2 3.76Å; F271-T275 WeakPolarHBondContact O-CB 3.35Å; F271-T275 VanDerWaalsContact O-CG2 3.29Å; F271-T275 WeakPolarHBondContact O-CG2 3.49Å; F271-T275 PolarHBondContact O-N 3.47Å; F271-T275 PolarHBondContact O-OG1 3.29Å; F271-A292 HydrophobicContact CD1-CB 4.07Å; F271-N295 HydrophobicContact CE1-CB 3.82Å; F271-N295 HydrophobicContact CZ-CB 4.22Å; F271-L296 HydrophobicContact CB-CD1 4.24Å; F271-L296 HydrophobicContact CD1-CB 4.37Å; F271-L296 HydrophobicContact CD2-CD1 3.89Å; F271-L296 HydrophobicContact CG-CB 4.24Å; F271-L296 HydrophobicContact CG-CD1 4.13Å; F271-L299 HydrophobicContact CD2-CD1 4.42Å; F271-L299 HydrophobicContact CE2-CD1 3.55Å; F271-L299 HydrophobicContact CZ-CD1 4.13Å; F271-I348 HydrophobicContact CE2-CD1 3.87Å; F271-I348 HydrophobicContact CE2-CG1 4.13Å; F271-I348 HydrophobicContact CZ-CD1 4.45Å; F271-I348 HydrophobicContact CZ-CG1 4.22Å; F271-Y352 WeakPolarHBondContact CZ-OH 3.38Å; F271-I388 HydrophobicContact CB-CD1 3.76Å; F271-I388 HydrophobicContact CD2-CD1 4.1Å; F271-I388 HydrophobicContact CD2-CG1 4.05Å; F271-I388 HydrophobicContact CG-CD1 4.45Å
272F97.4Very high96.2Very high15 Ų1547.3 Ų47.37%0.06622%0.224CC..Hα-helixtrans-53.6-50.1177.2160.9-108.8000112V268 L269 R270 I282 R283 Y284 M289 A292V268-F272 WeakPolarHBondContact O-CB 3.38Å; V268-F272 PolarHBondContact O-N 3.43Å; L269-F272 HydrophobicContact CD1-CD1 4.29Å; R270-F272 PolarHBondContact O-N 2.75Å; F272-I282 HydrophobicContact CD1-CD1 3.93Å; F272-I282 HydrophobicContact CD2-CD1 3.95Å; F272-I282 HydrophobicContact CD2-CG1 4.5Å; F272-I282 HydrophobicContact CE1-CD1 3.52Å; F272-I282 HydrophobicContact CE1-CG1 4.06Å; F272-I282 HydrophobicContact CE2-CD1 3.54Å; F272-I282 HydrophobicContact CE2-CG1 3.65Å; F272-I282 HydrophobicContact CG-CD1 4.15Å; F272-I282 HydrophobicContact CZ-CD1 3.32Å; F272-I282 HydrophobicContact CZ-CG1 3.4Å; F272-I282 VanDerWaalsContact CZ-CG1 3.4Å; F272-I282 WeakPolarHBondContact O-CD1 3.49Å; F272-R283 WeakPolarHBondContact CE2-O 3.37Å; F272-R283 WeakPolarHBondContact CZ-O 3.15Å; F272-Y284 HydrophobicContact CE1-CD2 4.22Å; F272-M289 HydrophobicContact CB-CE 3.9Å; F272-M289 HydrophobicContact CB-SD 4.48Å; F272-M289 HydrophobicContact CD1-CE 3.48Å; F272-M289 VanDerWaalsContact CD1-CE 3.48Å; F272-M289 HydrophobicContact CD1-SD 4.3Å; F272-M289 HydrophobicContact CD2-CE 3.3Å; F272-M289 HydrophobicContact CE1-CE 3.7Å; F272-M289 HydrophobicContact CE2-CE 3.51Å; F272-M289 HydrophobicContact CG-CE 3.26Å; F272-M289 HydrophobicContact CG-SD 4.29Å; F272-M289 HydrophobicContact CZ-CE 3.69Å; F272-A292 HydrophobicContact CB-CB 3.86Å
273M97.4Very high96.1Very high0 Ų045.6 Ų45.60%021%0.214CC..Hα-helixtrans-74.7-38-178.6-65.3-163.5-157.100113I14 A17 R18 I21 L269 R270 F271 T275I14-M273 HydrophobicContact CB-CE 4.36Å; I14-M273 HydrophobicContact CD1-CE 3.85Å; I14-M273 HydrophobicContact CG1-CE 3.11Å; A17-M273 HydrophobicContact CB-CE 4.02Å; A17-M273 HydrophobicContact CB-SD 4.13Å; R18-M273 VanDerWaalsContact CA-SD 3.6Å; R18-M273 HydrophobicContact CB-SD 4.06Å; R18-M273 PolarHBondContact NH1-O 2.84Å; I21-M273 HydrophobicContact CB-CB 4.27Å; I21-M273 HydrophobicContact CD1-CB 3.93Å; I21-M273 HydrophobicContact CD1-CG 4.23Å; I21-M273 HydrophobicContact CD1-SD 3.63Å; I21-M273 HydrophobicContact CG2-CB 3.86Å; L269-M273 HydrophobicContact CD1-CE 3.64Å; L269-M273 HydrophobicContact CD2-CE 4.35Å; L269-M273 HydrophobicContact CG-CE 3.9Å; L269-M273 PolarHBondContact O-N 3.48Å; R270-M273 PolarHBondContact O-N 3.3Å; F271-M273 VanDerWaalsContact C-N 3.34Å; F271-M273 PolarHBondContact O-N 2.93Å; M273-T275 VanDerWaalsContact C-N 3.29Å; M273-T275 PolarHBondContact O-N 3.06Å
274A98.4Very high96.1Very high2 Ų239.2 Ų39.22%0.01718%0.183CC..Hα-helixtrans-70.6-25.7-174.100000113I21 V25 R270 F271 A344 F386I21-A274 HydrophobicContact CG2-CB 3.95Å; V25-A274 HydrophobicContact CG2-CB 3.68Å; R270-A274 WeakPolarHBondContact O-CB 3.29Å; R270-A274 PolarHBondContact O-N 3.43Å; F271-A274 PolarHBondContact O-N 2.85Å; A274-A344 WeakPolarHBondContact O-CB 3.13Å; A274-F386 HydrophobicContact CB-CB 4.07Å; A274-F386 HydrophobicContact CB-CD1 4.28Å; A274-F386 VanDerWaalsContact CB-O 3.3Å; A274-F386 WeakPolarHBondContact CB-O 3.39Å; A274-F386 WeakPolarHBondContact O-CD1 3.35Å
275T98.2Very high96.1Very high20 Ų2038.3 Ų38.312%0.12318%0.18CC..THydrogen-bonded Turntrans-94.5-1.4-173.255.60000114.5F271 M273 A345 I348 F386F271-T275 HydrophobicContact CD2-CG2 3.9Å; F271-T275 HydrophobicContact CE1-CG2 4.29Å; F271-T275 HydrophobicContact CE2-CG2 3.57Å; F271-T275 HydrophobicContact CG-CG2 4.38Å; F271-T275 HydrophobicContact CZ-CG2 3.76Å; F271-T275 WeakPolarHBondContact O-CB 3.35Å; F271-T275 VanDerWaalsContact O-CG2 3.29Å; F271-T275 WeakPolarHBondContact O-CG2 3.49Å; F271-T275 PolarHBondContact O-N 3.47Å; F271-T275 PolarHBondContact O-OG1 3.29Å; M273-T275 VanDerWaalsContact C-N 3.29Å; M273-T275 PolarHBondContact O-N 3.06Å; T275-A345 WeakPolarHBondContact O-CA 3.36Å; T275-A345 PolarHBondContact O-N 3.26Å; T275-I348 HydrophobicContact CG2-CB 3.94Å; T275-I348 HydrophobicContact CG2-CD1 3.87Å; T275-I348 HydrophobicContact CG2-CG1 3.65Å; T275-I348 HydrophobicContact CG2-CG2 4.19Å; T275-F386 HydrophobicContact CG2-CD1 4.19Å
276T96.6Very high95.9Very high37 Ų3741.2 Ų41.223%0.22719%0.191CC..SBendtrans-97126.2171.7-59.10000109.5R18 Y278 R280 I282R18-T276 PolarHBondContact NH1-O 2.79Å; R18-T276 PolarHBondContact NH2-O 3.46Å; T276-Y278 PolarHBondContact O-N 3.1Å; T276-R280 HydrophobicContact CG2-CB 4.12Å; T276-I282 HydrophobicContact CG2-CB 4.24Å; T276-I282 HydrophobicContact CG2-CD1 4.38Å; T276-I282 HydrophobicContact CG2-CG1 4.19Å; T276-I282 WeakPolarHBondContact OG1-CD1 3.43Å
277Q97.5Very high95.8Very high24 Ų2442.1 Ų42.111%0.11220%0.202CC..  trans-47.8133.9176.7-165.5-80.1-1300110.7R18 R279 R280 D341R18-Q277 PolarHBondContact NH2-O 3.23Å; Q277-R279 VanDerWaalsContact C-N 3.35Å; Q277-R279 PolarHBondContact O-N 3.45Å; Q277-R280 HydrophobicContact CB-CG 4.18Å; Q277-R280 WeakPolarHBondContact O-CB 3.26Å; Q277-R280 PolarHBondContact O-N 3.29Å; Q277-D341 PolarHBondContact NE2-O 3Å; Q277-D341 VanDerWaalsContact NE2-O 3.11Å; Q277-D341 PolarHBondContact NE2-OD2 3.4Å
278Y98.1Very high95.6Very high7 Ų741.3 Ų41.33%0.02720%0.2CC..THydrogen-bonded Turntrans-62.6-35.3-159.679.3-81.2000114.4R18 I26 M233 H234 N235 G236 T276 R280 D341 F342R18-Y278 PolarHBondContact NH2-O 3.41Å; I26-Y278 HydrophobicContact CD1-CD1 4.41Å; I26-Y278 HydrophobicContact CD1-CD2 4.34Å; I26-Y278 HydrophobicContact CD1-CG 4.15Å; M233-Y278 HydrophobicContact CB-CE2 4Å; M233-Y278 HydrophobicContact CE-CE1 3.83Å; M233-Y278 HydrophobicContact CE-CE2 3.89Å; M233-Y278 VanDerWaalsContact CE-CZ 3.44Å; M233-Y278 WeakPolarHBondContact CE-OH 3.25Å; H234-Y278 WeakPolarHBondContact O-CE2 3.5Å; N235-Y278 CarbonylContact C-O 3.44Å; N235-Y278 WeakPolarHBondContact CA-O 3.41Å; N235-Y278 HydrophobicContact CB-CD2 4.49Å; G236-Y278 PolarHBondContact N-O 3.22Å; T276-Y278 PolarHBondContact O-N 3.1Å; Y278-R280 VanDerWaalsContact C-N 3.3Å; Y278-R280 PolarHBondContact O-N 2.96Å; Y278-D341 PolarHBondContact OH-OD1 2.92Å; Y278-F342 HydrophobicContact CD1-CB 4.39Å; Y278-F342 HydrophobicContact CE1-CD2 4.14Å
279R96.8Very high95.5Very high119 Ų11941.6 Ų41.645%0.44920%0.201SC..THydrogen-bonded Turntrans-74.3-20179-55.6-177.4-170.2-113.71.8112.9G236 Q277 D341G236-R279 WeakPolarHBondContact CA-O 3.43Å; Q277-R279 VanDerWaalsContact C-N 3.35Å; Q277-R279 PolarHBondContact O-N 3.45Å; R279-D341 IonicContact CZ-OD1 2.88Å; R279-D341 IonicContact CZ-OD2 3.38Å; R279-D341 IonicContact NE-OD1 3.24Å; R279-D341 PolarHBondContact NE-OD1 3.36Å; R279-D341 IonicContact NE-OD2 3.62Å; R279-D341 PolarHBondContact NE-OD2 3.21Å; R279-D341 IonicContact NH2-OD1 3.54Å; R279-D341 PolarHBondContact NH2-OD1 2.55Å; R279-D341 IonicContact NH2-OD2 2.82Å
280R95.5Very high95.5Very high170 Ų17047 Ų4764%0.64223%0.225SC*.SBendtrans-75137.4-178.2-63.9-65.8-177.3178-1.8110.7R18 T276 Q277 Y278R18-R280 PolarHBondContact NH2-O 3.17Å; T276-R280 HydrophobicContact CG2-CB 4.12Å; Q277-R280 HydrophobicContact CB-CG 4.18Å; Q277-R280 WeakPolarHBondContact O-CB 3.26Å; Q277-R280 PolarHBondContact O-N 3.29Å; Y278-R280 VanDerWaalsContact C-N 3.3Å; Y278-R280 PolarHBondContact O-N 2.96Å
281P93.2Very high95.4Very high84 Ų8451.7 Ų51.755%0.54525%0.25SC..  trans-56.9146.2164.5-21.732.6000110.4Y237Y237-P281 CarbonylContact O-C 3.52Å; Y237-P281 VanDerWaalsContact O-CA 3.23Å; Y237-P281 WeakPolarHBondContact O-CA 3.47Å
282I93.1Very high95.4Very high7 Ų751.7 Ų51.74%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-125130.5179.7-165-178.9000109.8R18 Y237 V238 T239 F272 T276R18-I282 HydrophobicContact CG-CG2 4.35Å; Y237-I282 PolarHBondContact O-N 3.43Å; V238-I282 CarbonylContact C-O 3.49Å; V238-I282 VanDerWaalsContact CA-O 3.3Å; V238-I282 WeakPolarHBondContact CA-O 3.48Å; V238-I282 HydrophobicContact CB-CG2 4.15Å; V238-I282 HydrophobicContact CG1-CG2 4.21Å; V238-I282 HydrophobicContact CG2-CG2 3.63Å; T239-I282 PolarHBondContact N-O 3.41Å; F272-I282 HydrophobicContact CD1-CD1 3.93Å; F272-I282 HydrophobicContact CD2-CD1 3.95Å; F272-I282 HydrophobicContact CD2-CG1 4.5Å; F272-I282 HydrophobicContact CE1-CD1 3.52Å; F272-I282 HydrophobicContact CE1-CG1 4.06Å; F272-I282 HydrophobicContact CE2-CD1 3.54Å; F272-I282 HydrophobicContact CE2-CG1 3.65Å; F272-I282 HydrophobicContact CG-CD1 4.15Å; F272-I282 HydrophobicContact CZ-CD1 3.32Å; F272-I282 HydrophobicContact CZ-CG1 3.4Å; F272-I282 VanDerWaalsContact CZ-CG1 3.4Å; F272-I282 WeakPolarHBondContact O-CD1 3.49Å; T276-I282 HydrophobicContact CG2-CB 4.24Å; T276-I282 HydrophobicContact CG2-CD1 4.38Å; T276-I282 HydrophobicContact CG2-CG1 4.19Å; T276-I282 WeakPolarHBondContact OG1-CD1 3.43Å
283R92.5Very high95.4Very high97 Ų9756.8 Ų56.837%0.36628%0.275SS..EExtended strand (participates in β ladder)trans-93.8119.3-179.4-179-170-65-169.2-4.6110.2T239 G241 E242 D244 F272 T288T239-R283 WeakPolarHBondContact OG1-CA 3.3Å; G241-R283 WeakPolarHBondContact O-CD 3.16Å; G241-R283 WeakPolarHBondContact O-CG 3.31Å; E242-R283 PolarHBondContact O-NH1 3.35Å; D244-R283 VanDerWaalsContact CG-NH2 3.32Å; D244-R283 WeakPolarHBondContact OD1-CG 3.35Å; D244-R283 IonicContact OD1-CZ 3.85Å; D244-R283 IonicContact OD1-NE 3.13Å; D244-R283 PolarHBondContact OD1-NE 3.16Å; D244-R283 IonicContact OD1-NH2 3.96Å; D244-R283 PolarHBondContact OD1-NH2 2.75Å; D244-R283 IonicContact OD2-CZ 3.87Å; D244-R283 IonicContact OD2-NE 2.65Å; D244-R283 IonicContact OD2-NH2 2.78Å; D244-R283 PolarHBondContact OD2-NH2 3.2Å; F272-R283 WeakPolarHBondContact CE2-O 3.37Å; F272-R283 WeakPolarHBondContact CZ-O 3.15Å; R283-T288 WeakPolarHBondContact O-CG2 3.22Å; R283-T288 PolarHBondContact O-OG1 3.24Å
284Y92.9Very high95.4Very high31 Ų3159.1 Ų59.112%0.12229%0.294CS..EExtended strand (participates in β ladder)trans-91.4121.9170.1176.8-95.1000111I14 T239 I240 G241 L260 I264 L269 F272 M289I14-Y284 HydrophobicContact CD1-CD1 4.22Å; I14-Y284 HydrophobicContact CD1-CD2 3.18Å; I14-Y284 HydrophobicContact CD1-CE2 3.73Å; I14-Y284 HydrophobicContact CD1-CG 3.46Å; I14-Y284 VanDerWaalsContact CD1-CG 3.46Å; T239-Y284 PolarHBondContact O-N 3.3Å; I240-Y284 HydrophobicContact CD1-CD1 4.17Å; I240-Y284 HydrophobicContact CG1-CD1 4.13Å; G241-Y284 PolarHBondContact N-O 3.27Å; L260-Y284 HydrophobicContact CD2-CE1 4.49Å; L260-Y284 HydrophobicContact CD2-CE2 4.37Å; L260-Y284 WeakPolarHBondContact CD2-OH 3.36Å; I264-Y284 WeakPolarHBondContact CD1-OH 3.43Å; L269-Y284 HydrophobicContact CD1-CE2 4.44Å; F272-Y284 HydrophobicContact CE1-CD2 4.22Å; Y284-M289 HydrophobicContact CD2-CE 3.8Å; Y284-M289 HydrophobicContact CD2-CG 4.22Å; Y284-M289 HydrophobicContact CD2-SD 3.84Å; Y284-M289 HydrophobicContact CE2-CE 4.08Å; Y284-M289 HydrophobicContact CE2-CG 3.61Å; Y284-M289 HydrophobicContact CE2-SD 3.49Å; Y284-M289 WeakPolarHBondContact CE2-SD 3.33Å
285S92.1Very high95.4Very high17 Ų1761.4 Ų61.412%0.11931%0.307CS..  trans-155.9163.5177.268.60000110.8A287 T288 M289S285-A287 PolarHBondContact O-N 3.19Å; S285-T288 PolarHBondContact N-OG1 2.95Å; S285-T288 PolarHBondContact O-N 3.45Å; S285-T288 PolarHBondContact O-OG1 3.13Å; S285-T288 PolarHBondContact OG-N 3.14Å; S285-T288 PolarHBondContact OG-OG1 3.32Å; S285-M289 WeakPolarHBondContact O-CG 3.35Å; S285-M289 PolarHBondContact O-N 3.24Å
286E91.1Very high95.3Very high137 Ų13760.7 Ų60.764%0.6430%0.302SS*.Hα-helixtrans-57.6-38.3174.9-169.9-173.1159.400112M289 K290E286-M289 PolarHBondContact O-N 3.25Å; E286-K290 HydrophobicContact CG-CD 4.49Å; E286-K290 WeakPolarHBondContact O-CG 3.3Å; E286-K290 PolarHBondContact O-N 2.92Å; E286-K290 WeakPolarHBondContact OE1-CE 3.46Å; E286-K290 IonicContact OE1-NZ 3.65Å; E286-K290 PolarHBondContact OE1-NZ 3.17Å
287A93.2Very high95.3Very high53 Ų5363.4 Ų63.444%0.43831%0.312SS..Hα-helixtrans-63-47177.500000112.1S285 M289 K290 D291S285-A287 PolarHBondContact O-N 3.19Å; A287-M289 VanDerWaalsContact C-N 3.3Å; A287-M289 PolarHBondContact O-N 3.04Å; A287-K290 PolarHBondContact O-N 3.38Å; A287-D291 PolarHBondContact O-N 3.25Å
288T93.8Very high95.3Very high34 Ų3467.9 Ų67.921%0.20933%0.331CS..Hα-helixtrans-66.8-31.7179.250.40000112.3R283 S285 A292R283-T288 WeakPolarHBondContact O-CG2 3.22Å; R283-T288 PolarHBondContact O-OG1 3.24Å; S285-T288 PolarHBondContact N-OG1 2.95Å; S285-T288 PolarHBondContact O-N 3.45Å; S285-T288 PolarHBondContact O-OG1 3.13Å; S285-T288 PolarHBondContact OG-N 3.14Å; S285-T288 PolarHBondContact OG-OG1 3.32Å; T288-A292 VanDerWaalsContact O-CB 3.28Å; T288-A292 WeakPolarHBondContact O-CB 3.4Å; T288-A292 PolarHBondContact O-N 2.98Å
289M94.9Very high95.3Very high12 Ų1267.6 Ų67.66%0.05933%0.33CS..Hα-helixtrans-69.6-41.6173.3-65.2-49.790.100112.3I264 L269 F272 Y284 S285 E286 A287 A292 Q293I264-M289 HydrophobicContact CD1-CG 4.03Å; L269-M289 HydrophobicContact CD1-SD 4.3Å; F272-M289 HydrophobicContact CB-CE 3.9Å; F272-M289 HydrophobicContact CB-SD 4.48Å; F272-M289 HydrophobicContact CD1-CE 3.48Å; F272-M289 VanDerWaalsContact CD1-CE 3.48Å; F272-M289 HydrophobicContact CD1-SD 4.3Å; F272-M289 HydrophobicContact CD2-CE 3.3Å; F272-M289 HydrophobicContact CE1-CE 3.7Å; F272-M289 HydrophobicContact CE2-CE 3.51Å; F272-M289 HydrophobicContact CG-CE 3.26Å; F272-M289 HydrophobicContact CG-SD 4.29Å; F272-M289 HydrophobicContact CZ-CE 3.69Å; Y284-M289 HydrophobicContact CD2-CE 3.8Å; Y284-M289 HydrophobicContact CD2-CG 4.22Å; Y284-M289 HydrophobicContact CD2-SD 3.84Å; Y284-M289 HydrophobicContact CE2-CE 4.08Å; Y284-M289 HydrophobicContact CE2-CG 3.61Å; Y284-M289 HydrophobicContact CE2-SD 3.49Å; Y284-M289 WeakPolarHBondContact CE2-SD 3.33Å; S285-M289 WeakPolarHBondContact O-CG 3.35Å; S285-M289 PolarHBondContact O-N 3.24Å; E286-M289 PolarHBondContact O-N 3.25Å; A287-M289 VanDerWaalsContact C-N 3.3Å; A287-M289 PolarHBondContact O-N 3.04Å; M289-A292 PolarHBondContact O-N 3.16Å; M289-Q293 WeakPolarHBondContact O-CB 3.44Å; M289-Q293 PolarHBondContact O-N 3.32Å
290K96Very high95.2Very high114 Ų11464.7 Ų64.750%0.49632%0.319SS..Hα-helixtrans-62.2-43.3174.6-75.5176-177168.20111.8E286 A287 Q293 A294E286-K290 HydrophobicContact CG-CD 4.49Å; E286-K290 WeakPolarHBondContact O-CG 3.3Å; E286-K290 PolarHBondContact O-N 2.92Å; E286-K290 WeakPolarHBondContact OE1-CE 3.46Å; E286-K290 IonicContact OE1-NZ 3.65Å; E286-K290 PolarHBondContact OE1-NZ 3.17Å; A287-K290 PolarHBondContact O-N 3.38Å; K290-Q293 PolarHBondContact O-N 3.38Å; K290-A294 WeakPolarHBondContact O-CB 3.43Å; K290-A294 PolarHBondContact O-N 3.16Å
291D96.6Very high95.1Very high100 Ų10059 Ų5954%0.53530%0.303SS..Hα-helixtrans-62.7-46.3176.4-73.3-19.5000111A287 Q293 A294 N295A287-D291 PolarHBondContact O-N 3.25Å; D291-Q293 VanDerWaalsContact C-N 3.34Å; D291-Q293 PolarHBondContact O-N 3.36Å; D291-A294 PolarHBondContact O-N 3.15Å; D291-N295 WeakPolarHBondContact O-CB 3.45Å; D291-N295 VanDerWaalsContact O-CG 3.24Å; D291-N295 PolarHBondContact O-N 3.12Å; D291-N295 PolarHBondContact O-ND2 3.15Å
292A97.6Very high95.1Very high6 Ų655 Ų555%0.0528%0.277CS..Hα-helixtrans-58-44.6175.300000112V268 F271 F272 T288 M289 N295 L296V268-A292 HydrophobicContact CG1-CB 3.94Å; F271-A292 HydrophobicContact CD1-CB 4.07Å; F272-A292 HydrophobicContact CB-CB 3.86Å; T288-A292 VanDerWaalsContact O-CB 3.28Å; T288-A292 WeakPolarHBondContact O-CB 3.4Å; T288-A292 PolarHBondContact O-N 2.98Å; M289-A292 PolarHBondContact O-N 3.16Å; A292-N295 PolarHBondContact O-N 3.37Å; A292-L296 WeakPolarHBondContact O-CB 3.08Å; A292-L296 PolarHBondContact O-N 3.15Å
293Q97.7Very high95.2Very high121 Ų12155.8 Ų55.857%0.56528%0.28SS*.Hα-helixtrans-62.2-48.5177.5-173.9179.315.500111.9V268 M289 K290 D291 N295 L296 Q297V268-Q293 HydrophobicContact CG1-CB 4.02Å; V268-Q293 HydrophobicContact CG2-CB 4.06Å; V268-Q293 HydrophobicContact CG2-CG 4.09Å; M289-Q293 WeakPolarHBondContact O-CB 3.44Å; M289-Q293 PolarHBondContact O-N 3.32Å; K290-Q293 PolarHBondContact O-N 3.38Å; D291-Q293 VanDerWaalsContact C-N 3.34Å; D291-Q293 PolarHBondContact O-N 3.36Å; Q293-N295 VanDerWaalsContact C-N 3.27Å; Q293-N295 PolarHBondContact O-N 3.19Å; Q293-L296 PolarHBondContact O-N 2.98Å; Q293-Q297 WeakPolarHBondContact O-CB 3.38Å; Q293-Q297 PolarHBondContact O-N 2.85Å
294A97.4Very high95.1Very high49 Ų4954.5 Ų54.541%0.40528%0.279SS..Hα-helixtrans-62.4-37.5178.500000111.8K290 D291 K298K290-A294 WeakPolarHBondContact O-CB 3.43Å; K290-A294 PolarHBondContact O-N 3.16Å; D291-A294 PolarHBondContact O-N 3.15Å; A294-K298 WeakPolarHBondContact O-CG 3.18Å; A294-K298 PolarHBondContact O-N 3.48Å
295N97.9Very high95Very high51 Ų5156.4 Ų56.427%0.27329%0.291SS..Hα-helixtrans-72.4-39.1179.5-82.4-17.8000112.7F271 D291 A292 Q293 K298 L299 Y352F271-N295 HydrophobicContact CE1-CB 3.82Å; F271-N295 HydrophobicContact CZ-CB 4.22Å; D291-N295 WeakPolarHBondContact O-CB 3.45Å; D291-N295 VanDerWaalsContact O-CG 3.24Å; D291-N295 PolarHBondContact O-N 3.12Å; D291-N295 PolarHBondContact O-ND2 3.15Å; A292-N295 PolarHBondContact O-N 3.37Å; Q293-N295 VanDerWaalsContact C-N 3.27Å; Q293-N295 PolarHBondContact O-N 3.19Å; N295-K298 PolarHBondContact O-N 3.39Å; N295-K298 PolarHBondContact OD1-NZ 3.23Å; N295-L299 PolarHBondContact O-N 2.86Å; N295-Y352 VanDerWaalsContact C-OH 3.26Å; N295-Y352 WeakPolarHBondContact CB-OH 3.19Å; N295-Y352 PolarHBondContact O-OH 3.09Å
296L97.9Very high95Very high4 Ų455.6 Ų55.62%0.02129%0.285CS..Hα-helixtrans-65.1-40.6171.7-176.465.1000111.2Q267 V268 F271 A292 Q293 K298 L299 R300 I388 F390Q267-L296 HydrophobicContact CB-CD2 3.93Å; V268-L296 HydrophobicContact CG2-CD2 3.92Å; F271-L296 HydrophobicContact CB-CD1 4.24Å; F271-L296 HydrophobicContact CD1-CB 4.37Å; F271-L296 HydrophobicContact CD2-CD1 3.89Å; F271-L296 HydrophobicContact CG-CB 4.24Å; F271-L296 HydrophobicContact CG-CD1 4.13Å; A292-L296 WeakPolarHBondContact O-CB 3.08Å; A292-L296 PolarHBondContact O-N 3.15Å; Q293-L296 PolarHBondContact O-N 2.98Å; L296-K298 VanDerWaalsContact C-N 3.33Å; L296-K298 PolarHBondContact O-N 3.44Å; L296-L299 WeakPolarHBondContact O-CB 3.12Å; L296-L299 PolarHBondContact O-N 3.13Å; L296-L299 VanDerWaalsContact O-N 3.15Å; L296-R300 PolarHBondContact O-N 2.93Å; L296-I388 HydrophobicContact CD1-CD1 4.12Å; L296-I388 HydrophobicContact CD1-CG1 4.42Å; L296-I388 HydrophobicContact CD1-CG2 3.7Å; L296-F390 HydrophobicContact CD1-CE1 3.84Å; L296-F390 HydrophobicContact CD1-CZ 3.74Å; L296-F390 HydrophobicContact CG-CE1 4.33Å; L296-F390 HydrophobicContact CG-CZ 4.47Å
297Q95.9Very high95Very high94 Ų9449.7 Ų49.744%0.43926%0.26SS..Hα-helixtrans-61.8-38.8178.7-175.556.944.700112.5Q293 L299 R300 T301Q293-Q297 WeakPolarHBondContact O-CB 3.38Å; Q293-Q297 PolarHBondContact O-N 2.85Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.45Å; Q297-R300 PolarHBondContact O-N 3.22Å; Q297-T301 PolarHBondContact NE2-OG1 3.39Å; Q297-T301 PolarHBondContact O-N 2.9Å; Q297-T301 PolarHBondContact O-OG1 3.37Å
298K96.3Very high94.8Very high119 Ų11953.8 Ų53.852%0.51727%0.268SS..Hα-helixtrans-59.7-42.2174.7-69.3167.4-167.9162.20111.9A294 N295 L296 A302 Y352A294-K298 WeakPolarHBondContact O-CG 3.18Å; A294-K298 PolarHBondContact O-N 3.48Å; N295-K298 PolarHBondContact O-N 3.39Å; N295-K298 PolarHBondContact OD1-NZ 3.23Å; L296-K298 VanDerWaalsContact C-N 3.33Å; L296-K298 PolarHBondContact O-N 3.44Å; K298-A302 PolarHBondContact O-N 3Å; K298-Y352 HydrophobicContact CB-CE1 4.42Å
299L98.3Very high94.6Very high0 Ų054.3 Ų54.30%027%0.266CS..Hα-helixtrans-66.4-41.2178.7-64.6175000111.2F271 N295 L296 Q297 A302 F303 I348 V351 Y352 A355 Y379 L383 F390F271-L299 HydrophobicContact CD2-CD1 4.42Å; F271-L299 HydrophobicContact CE2-CD1 3.55Å; F271-L299 HydrophobicContact CZ-CD1 4.13Å; N295-L299 PolarHBondContact O-N 2.86Å; L296-L299 WeakPolarHBondContact O-CB 3.12Å; L296-L299 PolarHBondContact O-N 3.13Å; L296-L299 VanDerWaalsContact O-N 3.15Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.45Å; L299-A302 PolarHBondContact O-N 3Å; L299-F303 PolarHBondContact O-N 3.14Å; L299-I348 HydrophobicContact CD1-CD1 4.14Å; L299-V351 HydrophobicContact CD2-CG1 4.03Å; L299-Y352 HydrophobicContact CD1-CE1 4.07Å; L299-Y352 HydrophobicContact CD2-CD1 3.49Å; L299-Y352 VanDerWaalsContact CD2-CD1 3.49Å; L299-Y352 HydrophobicContact CD2-CE1 3.38Å; L299-Y352 HydrophobicContact CD2-CG 4.2Å; L299-Y352 HydrophobicContact CG-CD1 4.17Å; L299-Y352 HydrophobicContact CG-CE1 3.51Å; L299-A355 HydrophobicContact CD2-CB 3.96Å; L299-Y379 VanDerWaalsContact C-OH 3.28Å; L299-Y379 WeakPolarHBondContact CA-OH 3.48Å; L299-Y379 VanDerWaalsContact CB-OH 3.27Å; L299-Y379 WeakPolarHBondContact CB-OH 3.42Å; L299-Y379 HydrophobicContact CD2-CE2 4.4Å; L299-Y379 VanDerWaalsContact CD2-OH 3.29Å; L299-Y379 WeakPolarHBondContact CD2-OH 3.31Å; L299-Y379 PolarHBondContact O-OH 3.47Å; L299-L383 HydrophobicContact CD1-CD2 3.99Å; L299-F390 HydrophobicContact CB-CE2 3.83Å; L299-F390 HydrophobicContact CB-CZ 3.84Å
300R96Very high94.4Very high58 Ų5857.2 Ų57.222%0.21928%0.28CS..Hα-helixtrans-61.8-47.5175.6-174.4-176.6-65.7-113.41.9111.8L296 Q297 A302 F303 E304 F390L296-R300 PolarHBondContact O-N 2.93Å; Q297-R300 PolarHBondContact O-N 3.22Å; R300-A302 VanDerWaalsContact C-N 3.3Å; R300-A302 PolarHBondContact O-N 3.1Å; R300-F303 WeakPolarHBondContact O-CB 3.35Å; R300-F303 PolarHBondContact O-N 3.48Å; R300-F303 VanDerWaalsContact O-N 3.09Å; R300-E304 WeakPolarHBondContact CD-OE1 3.04Å; R300-E304 HydrophobicContact CG-CG 4.34Å; R300-E304 WeakPolarHBondContact CG-OE1 3.48Å; R300-E304 WeakPolarHBondContact O-CG 3.35Å; R300-E304 PolarHBondContact O-N 2.97Å; R300-F390 HydrophobicContact CB-CD1 4.05Å; R300-F390 HydrophobicContact CB-CE1 3.71Å; R300-F390 HydrophobicContact CB-CE2 4.32Å; R300-F390 HydrophobicContact CB-CZ 3.85Å; R300-F390 HydrophobicContact CG-CD1 4.02Å; R300-F390 HydrophobicContact CG-CE1 4.17Å; R300-F390 HydrophobicContact CG-CG 4.43Å
301T92.4Very high94Very high51 Ų5156.9 Ų56.931%0.31328%0.283SS..Hα-helixtrans-60.1-39.2178.7-660000112.3Q297 F303 E304 N305Q297-T301 PolarHBondContact NE2-OG1 3.39Å; Q297-T301 PolarHBondContact O-N 2.9Å; Q297-T301 PolarHBondContact O-OG1 3.37Å; T301-F303 VanDerWaalsContact C-N 3.34Å; T301-F303 PolarHBondContact O-N 3.24Å; T301-E304 PolarHBondContact O-N 3.06Å; T301-N305 VanDerWaalsContact O-CB 3.32Å; T301-N305 WeakPolarHBondContact O-CB 3.35Å; T301-N305 PolarHBondContact O-N 3.39Å; T301-N305 PolarHBondContact O-ND2 3.31Å
302A93.9Very high93.7Very high0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-63.1-4017500000112.5K298 L299 R300 A306 A355 N359K298-A302 PolarHBondContact O-N 3Å; L299-A302 PolarHBondContact O-N 3Å; R300-A302 VanDerWaalsContact C-N 3.3Å; R300-A302 PolarHBondContact O-N 3.1Å; A302-A306 WeakPolarHBondContact O-CB 3.28Å; A302-A306 PolarHBondContact O-N 3.39Å; A302-A306 VanDerWaalsContact O-N 3.16Å; A302-A355 HydrophobicContact CB-CB 3.7Å; A302-N359 WeakPolarHBondContact CB-ND2 3.43Å
303F95.3Very high93.6Very high23 Ų2357.2 Ų57.210%0.10129%0.29CS..Hα-helixtrans-62.3-51.4174.7-178.3-95.3000111.5L299 R300 T301 N305 A306 A307 L376 Y379 F390 T392L299-F303 PolarHBondContact O-N 3.14Å; R300-F303 WeakPolarHBondContact O-CB 3.35Å; R300-F303 PolarHBondContact O-N 3.48Å; R300-F303 VanDerWaalsContact O-N 3.09Å; T301-F303 VanDerWaalsContact C-N 3.34Å; T301-F303 PolarHBondContact O-N 3.24Å; F303-N305 PolarHBondContact O-N 3.43Å; F303-A306 PolarHBondContact O-N 3.31Å; F303-A307 VanDerWaalsContact O-CB 3.3Å; F303-A307 WeakPolarHBondContact O-CB 3.22Å; F303-A307 PolarHBondContact O-N 2.83Å; F303-L376 HydrophobicContact CD2-CD2 3.81Å; F303-L376 HydrophobicContact CE2-CD2 4.1Å; F303-Y379 HydrophobicContact CB-CE1 4.03Å; F303-Y379 HydrophobicContact CD2-CD1 4.27Å; F303-Y379 HydrophobicContact CD2-CE1 4.49Å; F303-F390 HydrophobicContact CB-CB 4.4Å; F303-F390 HydrophobicContact CB-CD2 3.84Å; F303-F390 HydrophobicContact CB-CG 4.46Å; F303-F390 HydrophobicContact CD1-CB 3.64Å; F303-F390 HydrophobicContact CD2-CB 4.31Å; F303-F390 HydrophobicContact CD2-CD2 4.44Å; F303-F390 HydrophobicContact CE1-CB 3.88Å; F303-F390 HydrophobicContact CG-CB 3.87Å; F303-F390 HydrophobicContact CG-CD2 4.07Å; F303-F390 HydrophobicContact CG-CG 4.41Å; F303-F390 HydrophobicContact CZ-CB 4.31Å; F303-F390 WeakPolarHBondContact CZ-O 3.29Å; F303-T392 HydrophobicContact CE1-CG2 3.86Å
304E90.9Very high93.5Very high71 Ų7155 Ų5533%0.33228%0.28SS..Hα-helixtrans-61.9-44.4-178.1-70.6168.6170.900111.9R300 T301 A307 F308R300-E304 WeakPolarHBondContact CD-OE1 3.04Å; R300-E304 HydrophobicContact CG-CG 4.34Å; R300-E304 WeakPolarHBondContact CG-OE1 3.48Å; R300-E304 WeakPolarHBondContact O-CG 3.35Å; R300-E304 PolarHBondContact O-N 2.97Å; T301-E304 PolarHBondContact O-N 3.06Å; E304-A307 PolarHBondContact O-N 3.43Å; E304-F308 VanDerWaalsContact O-CB 3.28Å; E304-F308 WeakPolarHBondContact O-CB 3.46Å; E304-F308 PolarHBondContact O-N 3.3Å
305N90.4Very high93.4Very high70 Ų7056.8 Ų56.837%0.37430%0.295SS..Hα-helixtrans-61.2-46.7177.6-73.7-16000111.9T301 F303 R309 N359T301-N305 VanDerWaalsContact O-CB 3.32Å; T301-N305 WeakPolarHBondContact O-CB 3.35Å; T301-N305 PolarHBondContact O-N 3.39Å; T301-N305 PolarHBondContact O-ND2 3.31Å; F303-N305 PolarHBondContact O-N 3.43Å; N305-R309 WeakPolarHBondContact O-CB 3.35Å; N305-R309 PolarHBondContact O-N 3.28Å; N305-N359 PolarHBondContact ND2-OD1 3.42Å
306A92.3Very high93.2Very high0 Ų057.3 Ų57.30%031%0.306CS..Hα-helixtrans-68.7-40.1-179.200000111.9A302 F303 R309 Q310 L358 L372 L376A302-A306 WeakPolarHBondContact O-CB 3.28Å; A302-A306 PolarHBondContact O-N 3.39Å; A302-A306 VanDerWaalsContact O-N 3.16Å; F303-A306 PolarHBondContact O-N 3.31Å; A306-R309 PolarHBondContact O-N 3.4Å; A306-Q310 WeakPolarHBondContact O-CG 3.35Å; A306-Q310 PolarHBondContact O-N 3.46Å; A306-L358 HydrophobicContact CB-CB 4.46Å; A306-L358 HydrophobicContact CB-CD2 3.8Å; A306-L372 HydrophobicContact CB-CD2 4.31Å; A306-L376 HydrophobicContact CB-CD1 4.28Å; A306-L376 HydrophobicContact CB-CD2 3.82Å; A306-L376 HydrophobicContact CB-CG 4.1Å
307A90.6Very high93.1Very high13 Ų1358.5 Ų58.511%0.10731%0.313CS..Hα-helixtrans-62.4-48.5175.100000111.2F303 E304 R309 Q310 T392F303-A307 VanDerWaalsContact O-CB 3.3Å; F303-A307 WeakPolarHBondContact O-CB 3.22Å; F303-A307 PolarHBondContact O-N 2.83Å; E304-A307 PolarHBondContact O-N 3.43Å; A307-R309 VanDerWaalsContact C-N 3.25Å; A307-R309 PolarHBondContact O-N 3.01Å; A307-Q310 WeakPolarHBondContact O-CB 3.26Å; A307-Q310 PolarHBondContact O-N 3.15Å; A307-Q310 VanDerWaalsContact O-N 3.13Å; A307-T392 HydrophobicContact CB-CG2 3.56Å
308F88Confident93.1Very high139 Ų13959.5 Ų59.561%0.6134%0.337SS*.Hα-helixtrans-59.2-36.8175.3178.8-102.2000112.3E304 Q310E304-F308 VanDerWaalsContact O-CB 3.28Å; E304-F308 WeakPolarHBondContact O-CB 3.46Å; E304-F308 PolarHBondContact O-N 3.3Å; F308-Q310 PolarHBondContact O-N 3.27Å
309R90.8Very high93.1Very high46 Ų4656.3 Ų56.317%0.17433%0.326CS..Hα-helixtrans-68.3-21.5-179.8-168.561.7169.8126.20.9113.1N305 A306 A307 D311 T312 A313 S362 Q364 E365 V367 L372N305-R309 WeakPolarHBondContact O-CB 3.35Å; N305-R309 PolarHBondContact O-N 3.28Å; A306-R309 PolarHBondContact O-N 3.4Å; A307-R309 VanDerWaalsContact C-N 3.25Å; A307-R309 PolarHBondContact O-N 3.01Å; R309-D311 PolarHBondContact O-N 2.86Å; R309-T312 PolarHBondContact NH1-OG1 3.41Å; R309-T312 PolarHBondContact O-N 2.66Å; R309-T312 PolarHBondContact O-OG1 2.91Å; R309-A313 PolarHBondContact O-N 3.18Å; R309-S362 WeakPolarHBondContact CD-O 3.46Å; R309-S362 PolarHBondContact NE-O 3.26Å; R309-Q364 PolarHBondContact NH2-O 3.02Å; R309-E365 PolarHBondContact NH2-O 3.27Å; R309-V367 HydrophobicContact CG-CG2 3.76Å; R309-L372 HydrophobicContact CB-CD1 4.05Å; R309-L372 HydrophobicContact CG-CD1 3.98Å
310Q89.9Confident93.1Very high73 Ų7357 Ų5734%0.34133%0.329SS..G310 helixtrans-58.8-34.8179.8-66.8-176.2-67.400112.8A306 A307 F308 T312 A313 L372 L376A306-Q310 WeakPolarHBondContact O-CG 3.35Å; A306-Q310 PolarHBondContact O-N 3.46Å; A307-Q310 WeakPolarHBondContact O-CB 3.26Å; A307-Q310 PolarHBondContact O-N 3.15Å; A307-Q310 VanDerWaalsContact O-N 3.13Å; F308-Q310 PolarHBondContact O-N 3.27Å; Q310-T312 PolarHBondContact O-N 3.3Å; Q310-A313 WeakPolarHBondContact O-CB 3.3Å; Q310-A313 PolarHBondContact O-N 3.43Å; Q310-L372 HydrophobicContact CG-CB 4.08Å; Q310-L372 HydrophobicContact CG-CD1 4.11Å; Q310-L376 HydrophobicContact CG-CD1 4.12Å
311D87.4Confident93.1Very high107 Ų10760.8 Ų60.857%0.57235%0.35SS*.G310 helixtrans-68.4-20.5-176.5-68.1-32.3000113.9R309R309-D311 PolarHBondContact O-N 2.86Å
312T91.7Very high93.4Very high89 Ų8964 Ų6455%0.54636%0.361SS..G310 helixtrans-115.48.9-179.154.20000112.6R309 Q310R309-T312 PolarHBondContact NH1-OG1 3.41Å; R309-T312 PolarHBondContact O-N 2.66Å; R309-T312 PolarHBondContact O-OG1 2.91Å; Q310-T312 PolarHBondContact O-N 3.3Å
313A94.2Very high93.6Very high23 Ų2365.2 Ų65.219%0.1937%0.366CS..  trans-80.6148.7179.500000111.6R309 Q310 V367 A369 L372R309-A313 PolarHBondContact O-N 3.18Å; Q310-A313 WeakPolarHBondContact O-CB 3.3Å; Q310-A313 PolarHBondContact O-N 3.43Å; A313-V367 HydrophobicContact CB-CG2 3.8Å; A313-A369 HydrophobicContact CB-CB 3.85Å; A313-L372 HydrophobicContact CB-CD1 4.03Å
314E96.5Very high93.7Very high74 Ų7467.2 Ų67.235%0.34638%0.375SS..BIsolated β-bridgetrans-77.4150.9169.5-70178.5-125.900110A316 L317 R366 V367 S368 A369E314-A316 VanDerWaalsContact C-N 3.25Å; E314-A316 PolarHBondContact O-N 3.45Å; E314-L317 HydrophobicContact CB-CD2 4.25Å; E314-R366 IonicContact OE1-CZ 3.36Å; E314-R366 IonicContact OE1-NE 2.67Å; E314-R366 PolarHBondContact OE1-NE 3.19Å; E314-R366 IonicContact OE1-NH2 3.22Å; E314-R366 PolarHBondContact OE1-NH2 3.25Å; E314-R366 IonicContact OE2-CZ 3.37Å; E314-R366 IonicContact OE2-NE 2.8Å; E314-R366 IonicContact OE2-NH2 2.71Å; E314-R366 PolarHBondContact OE2-NH2 3.43Å; E314-V367 PolarHBondContact N-O 3.27Å; E314-S368 CarbonylContact O-C 3.58Å; E314-S368 WeakPolarHBondContact O-CA 3.29Å; E314-A369 WeakPolarHBondContact O-CB 3.29Å; E314-A369 PolarHBondContact O-N 3.34Å
315A94.7Very high94.1Very high87 Ų8767.2 Ų67.272%0.71938%0.383SS*.SBendtrans-57.9-38.8-176.100000113.1
316A94.7Very high94.5Very high62 Ų6266.9 Ų66.951%0.51238%0.379SS..  trans-158152.8176.900000110.4E314 D320E314-A316 VanDerWaalsContact C-N 3.25Å; E314-A316 PolarHBondContact O-N 3.45Å; A316-D320 WeakPolarHBondContact CA-OD2 3.29Å
317L96Very high94.8Very high29 Ų2967.3 Ų67.315%0.15238%0.381CS..  trans-123.2168.6171.8-64.8175.6000110.8E314 D319 D320 R366E314-L317 HydrophobicContact CB-CD2 4.25Å; L317-D319 VanDerWaalsContact C-N 3.26Å; L317-D319 WeakPolarHBondContact CB-OD1 3.3Å; L317-D319 PolarHBondContact O-N 3.03Å; L317-D320 WeakPolarHBondContact CA-OD1 3.26Å; L317-D320 WeakPolarHBondContact CB-OD1 3.35Å; L317-D320 PolarHBondContact N-OD1 3.14Å; L317-D320 PolarHBondContact N-OD2 3.12Å; L317-D320 VanDerWaalsContact O-CG 3.29Å; L317-D320 PolarHBondContact O-N 3.31Å; L317-R366 HydrophobicContact CD1-CB 4.17Å
318A95.4Very high95.1Very high116 Ų11671 Ų7196%0.95940%0.396SS*.THydrogen-bonded Turntrans-69.5-25.2-175.600000113.1
319D95.9Very high95.7Very high51 Ų5169 Ų6927%0.27340%0.396SS..THydrogen-bonded Turntrans-96.98.3-177.963.4-37.5000113.5L317 Q321 E322 K323L317-D319 VanDerWaalsContact C-N 3.26Å; L317-D319 WeakPolarHBondContact CB-OD1 3.3Å; L317-D319 PolarHBondContact O-N 3.03Å; D319-Q321 PolarHBondContact O-N 2.9Å; D319-Q321 VanDerWaalsContact O-N 3.1Å; D319-E322 WeakPolarHBondContact O-CB 3.4Å; D319-E322 PolarHBondContact O-N 3.46Å; D319-K323 PolarHBondContact O-N 3.32Å; D319-K323 WeakPolarHBondContact OD2-CE 3.41Å
320D97.5Very high96Very high14 Ų1467.9 Ų67.98%0.07539%0.393CS..Hα-helixtrans-51.9-38.7-178.7-82.419.4000113.6A316 L317 K323 K324 S368 V371A316-D320 WeakPolarHBondContact CA-OD2 3.29Å; L317-D320 WeakPolarHBondContact CA-OD1 3.26Å; L317-D320 WeakPolarHBondContact CB-OD1 3.35Å; L317-D320 PolarHBondContact N-OD1 3.14Å; L317-D320 PolarHBondContact N-OD2 3.12Å; L317-D320 VanDerWaalsContact O-CG 3.29Å; L317-D320 PolarHBondContact O-N 3.31Å; D320-K323 PolarHBondContact O-N 2.88Å; D320-K324 WeakPolarHBondContact O-CB 3.25Å; D320-K324 VanDerWaalsContact O-CG 3.26Å; D320-K324 WeakPolarHBondContact O-CG 3.29Å; D320-K324 PolarHBondContact O-N 3.4Å; D320-S368 VanDerWaalsContact CG-OG 3.25Å; D320-S368 WeakPolarHBondContact OD1-CB 3.36Å; D320-S368 PolarHBondContact OD1-OG 2.9Å; D320-S368 VanDerWaalsContact OD1-OG 3.09Å; D320-S368 PolarHBondContact OD2-OG 2.88Å; D320-V371 HydrophobicContact CB-CG2 3.91Å
321Q97.6Very high96.5Very high138 Ų13867.3 Ų67.365%0.64539%0.389SS*.Hα-helixtrans-71.3-33.8179.7-65.9-61.2-17.300112.6D319 S325D319-Q321 PolarHBondContact O-N 2.9Å; D319-Q321 VanDerWaalsContact O-N 3.1Å; Q321-S325 WeakPolarHBondContact O-CB 3.37Å; Q321-S325 PolarHBondContact O-N 3.36Å; Q321-S325 PolarHBondContact O-OG 2.95Å
322E98Very high97Very high119 Ų11966.5 Ų66.556%0.55639%0.385SS*.Hα-helixtrans-65.2-48.4173.8-174.3-178155.300109.5D319 K324 S325 E326D319-E322 WeakPolarHBondContact O-CB 3.4Å; D319-E322 PolarHBondContact O-N 3.46Å; E322-K324 PolarHBondContact O-N 2.78Å; E322-S325 WeakPolarHBondContact O-CA 3.05Å; E322-S325 WeakPolarHBondContact O-CB 3.49Å; E322-S325 PolarHBondContact O-N 3.02Å; E322-E326 PolarHBondContact O-N 3.24Å
323K97.9Very high97.3Very high26 Ų2666.3 Ų66.311%0.11337%0.374CS..Hα-helixtrans-62.4-39.6177.6-59.5-60159.8-148.90113.1D319 D320 S325 E326 L327 W357 Y361 V371D319-K323 PolarHBondContact O-N 3.32Å; D319-K323 WeakPolarHBondContact OD2-CE 3.41Å; D320-K323 PolarHBondContact O-N 2.88Å; K323-S325 VanDerWaalsContact C-N 3.3Å; K323-S325 PolarHBondContact O-N 3.15Å; K323-E326 IonicContact NZ-OE1 2.77Å; K323-E326 PolarHBondContact NZ-OE1 3.22Å; K323-E326 IonicContact NZ-OE2 3.75Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 2.79Å; K323-L327 WeakPolarHBondContact O-CG 3.33Å; K323-L327 PolarHBondContact O-N 2.84Å; K323-L327 VanDerWaalsContact O-N 3.11Å; K323-W357 HydrophobicContact CB-CH2 4.48Å; K323-W357 HydrophobicContact CB-CZ2 4.05Å; K323-W357 HydrophobicContact CD-CZ2 4.15Å; K323-Y361 HydrophobicContact CD-CD2 4.27Å; K323-Y361 HydrophobicContact CD-CE2 4.1Å; K323-Y361 HydrophobicContact CG-CE2 3.99Å; K323-V371 HydrophobicContact CB-CG1 3.7Å; K323-V371 HydrophobicContact CB-CG2 4.04Å; K323-V371 HydrophobicContact CG-CG1 4.48Å
324K98Very high97.6Very high65 Ų6565.2 Ų65.228%0.28337%0.365SS..Hα-helixtrans-66.2-32.1173.5-74.4174.7179.3-178.70112.9D320 E322 L327 Q328D320-K324 WeakPolarHBondContact O-CB 3.25Å; D320-K324 VanDerWaalsContact O-CG 3.26Å; D320-K324 WeakPolarHBondContact O-CG 3.29Å; D320-K324 PolarHBondContact O-N 3.4Å; E322-K324 PolarHBondContact O-N 2.78Å; K324-L327 PolarHBondContact O-N 3.13Å; K324-Q328 PolarHBondContact O-N 3.25Å
325S98.4Very high97.7Very high71 Ų7163 Ų6350%0.49736%0.357SS..Hα-helixtrans-69.6-38.7174.6-57.20000111.7Q321 E322 K323 L327 Q328 V329Q321-S325 WeakPolarHBondContact O-CB 3.37Å; Q321-S325 PolarHBondContact O-N 3.36Å; Q321-S325 PolarHBondContact O-OG 2.95Å; E322-S325 WeakPolarHBondContact O-CA 3.05Å; E322-S325 WeakPolarHBondContact O-CB 3.49Å; E322-S325 PolarHBondContact O-N 3.02Å; K323-S325 VanDerWaalsContact C-N 3.3Å; K323-S325 PolarHBondContact O-N 3.15Å; S325-L327 VanDerWaalsContact C-N 3.34Å; S325-L327 PolarHBondContact O-N 3.3Å; S325-Q328 PolarHBondContact O-N 3.44Å; S325-V329 VanDerWaalsContact O-CG2 3.29Å; S325-V329 WeakPolarHBondContact O-CG2 3.34Å; S325-V329 PolarHBondContact O-N 3.39Å; S325-V329 VanDerWaalsContact O-N 3.08Å
326E98.4Very high97.9Very high63 Ų6365.4 Ų65.429%0.29435%0.353SS..Hα-helixtrans-59.7-43.3172.1-65.7172-151.300111.5E322 K323 V329 L330 W357E322-E326 PolarHBondContact O-N 3.24Å; K323-E326 IonicContact NZ-OE1 2.77Å; K323-E326 PolarHBondContact NZ-OE1 3.22Å; K323-E326 IonicContact NZ-OE2 3.75Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 2.79Å; E326-V329 PolarHBondContact O-N 3.44Å; E326-L330 PolarHBondContact O-N 3Å; E326-W357 PolarHBondContact OE2-NE1 3.12Å
327L98.5Very high98.1Very high8 Ų864 Ų644%0.04234%0.336CS..Hα-helixtrans-62.9-40.5174.9-67.8171.6000112.4K323 K324 S325 V329 L330 K331 L354 W357 T374 A375K323-L327 WeakPolarHBondContact O-CG 3.33Å; K323-L327 PolarHBondContact O-N 2.84Å; K323-L327 VanDerWaalsContact O-N 3.11Å; K324-L327 PolarHBondContact O-N 3.13Å; S325-L327 VanDerWaalsContact C-N 3.34Å; S325-L327 PolarHBondContact O-N 3.3Å; L327-V329 VanDerWaalsContact C-N 3.3Å; L327-V329 PolarHBondContact O-N 2.87Å; L327-L330 PolarHBondContact O-N 3.14Å; L327-K331 PolarHBondContact O-N 2.86Å; L327-L354 HydrophobicContact CD2-CD1 3.48Å; L327-L354 VanDerWaalsContact CD2-CD1 3.48Å; L327-W357 HydrophobicContact CD1-CH2 4.03Å; L327-W357 HydrophobicContact CD1-CZ3 4.36Å; L327-W357 HydrophobicContact CD2-CD2 3.99Å; L327-W357 HydrophobicContact CD2-CE3 3.67Å; L327-W357 HydrophobicContact CD2-CH2 3.86Å; L327-W357 HydrophobicContact CD2-CZ2 4.13Å; L327-W357 HydrophobicContact CD2-CZ3 3.64Å; L327-W357 HydrophobicContact CG-CH2 3.95Å; L327-W357 HydrophobicContact CG-CZ2 4.08Å; L327-W357 HydrophobicContact CG-CZ3 4.24Å; L327-T374 HydrophobicContact CD1-CG2 4.07Å; L327-A375 HydrophobicContact CD1-CB 3.74Å; L327-A375 HydrophobicContact CD2-CB 3.7Å; L327-A375 HydrophobicContact CG-CB 4.39Å
328Q98.6Very high98.2Very high91 Ų9162.7 Ų62.743%0.42533%0.329SS..Hα-helixtrans-62.3-38176.7-173.562.252.300111.6K324 S325 L330 K331 D332K324-Q328 PolarHBondContact O-N 3.25Å; S325-Q328 PolarHBondContact O-N 3.44Å; Q328-L330 PolarHBondContact O-N 3.5Å; Q328-K331 WeakPolarHBondContact O-CB 3.41Å; Q328-K331 PolarHBondContact O-N 3.27Å; Q328-D332 PolarHBondContact NE2-OD1 3.1Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.9Å
329V98.7Very high98.3Very high98 Ų9861.3 Ų61.359%0.59431%0.305SS*.Hα-helixtrans-62-42.7175.7175.30000111.6S325 E326 L327 K331 D332 R333S325-V329 VanDerWaalsContact O-CG2 3.29Å; S325-V329 WeakPolarHBondContact O-CG2 3.34Å; S325-V329 PolarHBondContact O-N 3.39Å; S325-V329 VanDerWaalsContact O-N 3.08Å; E326-V329 PolarHBondContact O-N 3.44Å; L327-V329 VanDerWaalsContact C-N 3.3Å; L327-V329 PolarHBondContact O-N 2.87Å; V329-K331 VanDerWaalsContact C-N 3.34Å; V329-D332 PolarHBondContact O-N 3.49Å; V329-R333 WeakPolarHBondContact O-CB 3.38Å; V329-R333 PolarHBondContact O-N 3.12Å
330L98.8Very high98.5Very high21 Ų2163.8 Ų63.811%0.1132%0.318CS..Hα-helixtrans-64.6-40.2175.6-70.6167.9000111.4E326 L327 Q328 R333 F334 V350 E353 L354 W357E326-L330 PolarHBondContact O-N 3Å; L327-L330 PolarHBondContact O-N 3.14Å; Q328-L330 PolarHBondContact O-N 3.5Å; L330-R333 PolarHBondContact O-N 3.08Å; L330-F334 PolarHBondContact O-N 2.87Å; L330-V350 HydrophobicContact CB-CG1 4.44Å; L330-V350 HydrophobicContact CD2-CG1 4.31Å; L330-V350 WeakPolarHBondContact O-CG1 3.33Å; L330-E353 HydrophobicContact CD2-CB 3.85Å; L330-L354 HydrophobicContact CD1-CB 4.13Å; L330-L354 HydrophobicContact CD1-CD1 3.9Å; L330-W357 HydrophobicContact CD1-CB 4.23Å; L330-W357 HydrophobicContact CD1-CG 4.35Å
331K98.7Very high98.5Very high61 Ų6165.9 Ų65.927%0.26533%0.33SS..Hα-helixtrans-60.5-49.2174.4-179.3177.7-173.2142.90112.7Y32 L327 Q328 V329 R333 F334 V335 E378 M382Y32-K331 WeakPolarHBondContact OH-CE 3.41Å; L327-K331 PolarHBondContact O-N 2.86Å; Q328-K331 WeakPolarHBondContact O-CB 3.41Å; Q328-K331 PolarHBondContact O-N 3.27Å; V329-K331 VanDerWaalsContact C-N 3.34Å; K331-R333 VanDerWaalsContact C-N 3.28Å; K331-R333 PolarHBondContact O-N 3.39Å; K331-F334 WeakPolarHBondContact O-CB 3.49Å; K331-F334 PolarHBondContact O-N 3.14Å; K331-V335 PolarHBondContact O-N 3.31Å; K331-E378 HydrophobicContact CB-CG 4.47Å; K331-E378 WeakPolarHBondContact CD-OE2 3.23Å; K331-E378 WeakPolarHBondContact CE-OE2 3.31Å; K331-E378 IonicContact NZ-OE1 3.23Å; K331-E378 IonicContact NZ-OE2 2.82Å; K331-E378 PolarHBondContact NZ-OE2 3.22Å; K331-M382 HydrophobicContact CB-CE 4.15Å; K331-M382 HydrophobicContact CG-CE 4.48Å
332D98.8Very high98.5Very high90 Ų9060.7 Ų60.748%0.48131%0.305SS..Hα-helixtrans-62-40.1-179.5-67.1-19000110.7Q328 V329 V335 E336Q328-D332 PolarHBondContact NE2-OD1 3.1Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.9Å; V329-D332 PolarHBondContact O-N 3.49Å; D332-V335 PolarHBondContact O-N 2.76Å; D332-E336 PolarHBondContact O-N 2.74Å
333R98.8Very high98.5Very high85 Ų8556.4 Ų56.432%0.32129%0.286SS..Hα-helixtrans-67.5-39.1175-171.1174.9163.9-154.2-15.4112.7V329 L330 K331 V335 E336 E337 V350 E353V329-R333 WeakPolarHBondContact O-CB 3.38Å; V329-R333 PolarHBondContact O-N 3.12Å; L330-R333 PolarHBondContact O-N 3.08Å; K331-R333 VanDerWaalsContact C-N 3.28Å; K331-R333 PolarHBondContact O-N 3.39Å; R333-V335 VanDerWaalsContact C-N 3.27Å; R333-V335 PolarHBondContact O-N 3.45Å; R333-E336 WeakPolarHBondContact O-CB 3.3Å; R333-E336 PolarHBondContact O-N 3.04Å; R333-E337 HydrophobicContact CG-CG 4.32Å; R333-E337 IonicContact NE-OE1 2.66Å; R333-E337 VanDerWaalsContact O-CG 3.29Å; R333-E337 WeakPolarHBondContact O-CG 3.21Å; R333-E337 PolarHBondContact O-N 2.99Å; R333-V350 HydrophobicContact CB-CG2 4.43Å; R333-V350 HydrophobicContact CG-CG2 3.87Å; R333-E353 IonicContact CZ-OE1 3.86Å; R333-E353 VanDerWaalsContact CZ-OE1 3.23Å; R333-E353 IonicContact CZ-OE2 2.63Å; R333-E353 IonicContact NH1-OE1 3.74Å; R333-E353 PolarHBondContact NH1-OE1 3.48Å; R333-E353 IonicContact NH1-OE2 3.64Å; R333-E353 PolarHBondContact NH1-OE2 2.96Å; R333-E353 IonicContact NH2-OE1 2.87Å; R333-E353 PolarHBondContact NH2-OE1 2.87Å; R333-E353 IonicContact NH2-OE2 3.87Å
334F98.9Very high98.5Very high0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-58.7-42.9174.1175.8-102.5000111.2Y29 Y32 L330 K331 M338 V350 V351 M382 V385 F386Y29-F334 HydrophobicContact CD2-CE1 4.4Å; Y29-F334 HydrophobicContact CE2-CE1 4.28Å; Y32-F334 HydrophobicContact CD1-CE1 4.3Å; Y32-F334 HydrophobicContact CE1-CD1 4.05Å; Y32-F334 AromaticContact CE1-CE1 3.99Å; Y32-F334 HydrophobicContact CE1-CE1 3.99Å; L330-F334 PolarHBondContact O-N 2.87Å; K331-F334 WeakPolarHBondContact O-CB 3.49Å; K331-F334 PolarHBondContact O-N 3.14Å; F334-M338 HydrophobicContact CD1-CG 4.4Å; F334-M338 HydrophobicContact CD2-CG 4.16Å; F334-M338 HydrophobicContact CE1-CG 4.02Å; F334-M338 HydrophobicContact CE2-CG 3.73Å; F334-M338 HydrophobicContact CE2-SD 4.23Å; F334-M338 HydrophobicContact CG-CG 4.48Å; F334-M338 HydrophobicContact CZ-CG 3.67Å; F334-M338 HydrophobicContact CZ-SD 4.33Å; F334-M338 WeakPolarHBondContact O-CB 3.46Å; F334-M338 VanDerWaalsContact O-CG 3.26Å; F334-M338 WeakPolarHBondContact O-CG 3.33Å; F334-M338 PolarHBondContact O-N 2.81Å; F334-V350 HydrophobicContact CB-CB 4.32Å; F334-V350 HydrophobicContact CB-CG1 3.92Å; F334-V351 HydrophobicContact CD2-CG2 4.33Å; F334-V351 HydrophobicContact CE2-CG2 4.21Å; F334-M382 HydrophobicContact CB-CE 3.5Å; F334-M382 VanDerWaalsContact CB-CE 3.5Å; F334-M382 HydrophobicContact CB-SD 4.1Å; F334-M382 HydrophobicContact CD1-CE 4.11Å; F334-M382 HydrophobicContact CD1-CG 3.93Å; F334-M382 HydrophobicContact CD1-SD 4.41Å; F334-M382 HydrophobicContact CD2-CG 4.29Å; F334-M382 HydrophobicContact CD2-SD 4.19Å; F334-M382 HydrophobicContact CE1-CG 4.07Å; F334-M382 HydrophobicContact CE2-CB 4.38Å; F334-M382 HydrophobicContact CE2-CG 4.42Å; F334-M382 HydrophobicContact CG-CE 3.83Å; F334-M382 HydrophobicContact CG-CG 4.04Å; F334-M382 HydrophobicContact CG-SD 3.97Å; F334-M382 HydrophobicContact CZ-CB 4.3Å; F334-M382 HydrophobicContact CZ-CG 4.31Å; F334-V385 HydrophobicContact CE1-CG2 4.33Å; F334-V385 HydrophobicContact CZ-CB 4.25Å; F334-V385 HydrophobicContact CZ-CG1 4.32Å; F334-V385 HydrophobicContact CZ-CG2 4.18Å; F334-F386 AromaticContact CE2-CE2 3.78Å; F334-F386 HydrophobicContact CE2-CE2 3.78Å; F334-F386 HydrophobicContact CE2-CZ 4.03Å; F334-F386 HydrophobicContact CZ-CE2 4.2Å
335V98.9Very high98.5Very high29 Ų2954.1 Ų54.118%0.17628%0.284CS..Hα-helixtrans-63.8-44.3175172.30000111.4Y29 Y32 K331 D332 R333 E337 M338 D339Y29-V335 PolarHBondContact OH-O 3.46Å; Y32-V335 HydrophobicContact CE1-CG2 3.97Å; K331-V335 PolarHBondContact O-N 3.31Å; D332-V335 PolarHBondContact O-N 2.76Å; R333-V335 VanDerWaalsContact C-N 3.27Å; R333-V335 PolarHBondContact O-N 3.45Å; V335-E337 PolarHBondContact O-N 3.4Å; V335-M338 PolarHBondContact O-N 3.06Å; V335-D339 VanDerWaalsContact O-CB 3.26Å; V335-D339 WeakPolarHBondContact O-CB 3.49Å; V335-D339 VanDerWaalsContact O-CG 3.31Å; V335-D339 PolarHBondContact O-N 3.17Å
336E98.8Very high98.5Very high136 Ų13653.8 Ų53.864%0.63628%0.277SS*.Hα-helixtrans-56.2-49.5176.6-178.3178.2-168.500111.8D332 R333 D339 D340D332-E336 PolarHBondContact O-N 2.74Å; R333-E336 WeakPolarHBondContact O-CB 3.3Å; R333-E336 PolarHBondContact O-N 3.04Å; E336-D339 PolarHBondContact O-N 3.45Å; E336-D340 PolarHBondContact O-N 3.14Å
337E98.8Very high98.5Very high34 Ų3450.8 Ų50.816%0.15926%0.263CS..Hα-helixtrans-67.4-40.6-179.7-60.5-68.5-18000111.6R333 V335 D340 N343 N346 V350R333-E337 HydrophobicContact CG-CG 4.32Å; R333-E337 IonicContact NE-OE1 2.66Å; R333-E337 VanDerWaalsContact O-CG 3.29Å; R333-E337 WeakPolarHBondContact O-CG 3.21Å; R333-E337 PolarHBondContact O-N 2.99Å; V335-E337 PolarHBondContact O-N 3.4Å; E337-D340 PolarHBondContact O-N 3.34Å; E337-N343 WeakPolarHBondContact O-CB 3.12Å; E337-N343 PolarHBondContact O-N 3.42Å; E337-N346 HydrophobicContact CB-CB 3.88Å; E337-N346 VanDerWaalsContact CD-CB 3.49Å; E337-N346 HydrophobicContact CG-CB 3.85Å; E337-N346 WeakPolarHBondContact OE2-CB 3.5Å; E337-N346 PolarHBondContact OE2-ND2 2.93Å; E337-V350 HydrophobicContact CG-CG2 4.05Å
338M98.8Very high98.5Very high1 Ų151 Ų511%0.00526%0.264CS..Hα-helixtrans-74.4-25.5179.7-67.6-63-61.800113.1Y29 F334 V335 D340 F342 V385 F386Y29-M338 HydrophobicContact CD1-CB 4.19Å; Y29-M338 HydrophobicContact CD1-CE 4.42Å; Y29-M338 HydrophobicContact CD2-CB 3.77Å; Y29-M338 HydrophobicContact CD2-CE 4.03Å; Y29-M338 HydrophobicContact CD2-CG 4.09Å; Y29-M338 HydrophobicContact CE1-CB 3.71Å; Y29-M338 HydrophobicContact CE2-CB 3.27Å; Y29-M338 HydrophobicContact CE2-CG 3.89Å; Y29-M338 HydrophobicContact CG-CB 4.22Å; Y29-M338 HydrophobicContact CG-CE 3.9Å; F334-M338 HydrophobicContact CD1-CG 4.4Å; F334-M338 HydrophobicContact CD2-CG 4.16Å; F334-M338 HydrophobicContact CE1-CG 4.02Å; F334-M338 HydrophobicContact CE2-CG 3.73Å; F334-M338 HydrophobicContact CE2-SD 4.23Å; F334-M338 HydrophobicContact CG-CG 4.48Å; F334-M338 HydrophobicContact CZ-CG 3.67Å; F334-M338 HydrophobicContact CZ-SD 4.33Å; F334-M338 WeakPolarHBondContact O-CB 3.46Å; F334-M338 VanDerWaalsContact O-CG 3.26Å; F334-M338 WeakPolarHBondContact O-CG 3.33Å; F334-M338 PolarHBondContact O-N 2.81Å; V335-M338 PolarHBondContact O-N 3.06Å; M338-D340 VanDerWaalsContact C-N 3.3Å; M338-F342 WeakPolarHBondContact O-CA 3.38Å; M338-F342 PolarHBondContact O-N 2.93Å; M338-F342 VanDerWaalsContact O-N 3.11Å; M338-V385 HydrophobicContact CE-CG1 4.07Å; M338-F386 HydrophobicContact SD-CZ 4.26Å
339D98.6Very high98.6Very high87 Ų8749.6 Ų49.647%0.46526%0.262SS..Hα-helixtrans-73.9-20.2173.1-80-2.2000113.1Y29 R33 V335 E336 D341Y29-D339 WeakPolarHBondContact CE1-OD1 3.34Å; Y29-D339 PolarHBondContact OH-OD1 3.04Å; R33-D339 IonicContact CZ-OD1 2.68Å; R33-D339 IonicContact CZ-OD2 3.88Å; R33-D339 IonicContact NH1-OD1 3.81Å; R33-D339 PolarHBondContact NH1-OD1 2.92Å; R33-D339 IonicContact NH1-OD2 2.78Å; R33-D339 PolarHBondContact NH1-OD2 2.79Å; R33-D339 IonicContact NH2-OD2 3.16Å; V335-D339 VanDerWaalsContact O-CB 3.26Å; V335-D339 WeakPolarHBondContact O-CB 3.49Å; V335-D339 VanDerWaalsContact O-CG 3.31Å; V335-D339 PolarHBondContact O-N 3.17Å; E336-D339 PolarHBondContact O-N 3.45Å; D339-D341 PolarHBondContact O-N 3.44Å; D339-D341 VanDerWaalsContact O-N 3.08Å
340D98.3Very high98.6Very high102 Ų10245 Ų4555%0.54523%0.233SC..THydrogen-bonded Turntrans-79.578.1170.1-174.131000111E336 E337 M338 F342 N343E336-D340 PolarHBondContact O-N 3.14Å; E337-D340 PolarHBondContact O-N 3.34Å; M338-D340 VanDerWaalsContact C-N 3.3Å; D340-F342 VanDerWaalsContact C-N 3.29Å; D340-F342 PolarHBondContact O-N 3.49Å; D340-N343 VanDerWaalsContact O-CB 3.3Å; D340-N343 WeakPolarHBondContact O-CB 3.36Å; D340-N343 PolarHBondContact O-N 2.71Å; D340-N343 VanDerWaalsContact O-N 3.15Å
341D97.7Very high98.6Very high59 Ų5944 Ų4432%0.31623%0.228SC..THydrogen-bonded Turntrans49.944.3177.5-16953.8000113.7Q277 Y278 R279 D339 N343Q277-D341 PolarHBondContact NE2-O 3Å; Q277-D341 VanDerWaalsContact NE2-O 3.11Å; Q277-D341 PolarHBondContact NE2-OD2 3.4Å; Y278-D341 PolarHBondContact OH-OD1 2.92Å; R279-D341 IonicContact CZ-OD1 2.88Å; R279-D341 IonicContact CZ-OD2 3.38Å; R279-D341 IonicContact NE-OD1 3.24Å; R279-D341 PolarHBondContact NE-OD1 3.36Å; R279-D341 IonicContact NE-OD2 3.62Å; R279-D341 PolarHBondContact NE-OD2 3.21Å; R279-D341 IonicContact NH2-OD1 3.54Å; R279-D341 PolarHBondContact NH2-OD1 2.55Å; R279-D341 IonicContact NH2-OD2 2.82Å; D339-D341 PolarHBondContact O-N 3.44Å; D339-D341 VanDerWaalsContact O-N 3.08Å; D341-N343 VanDerWaalsContact C-N 3.35Å; D341-N343 PolarHBondContact O-N 3.45Å
342F98.4Very high98.6Very high29 Ų2943.8 Ų43.813%0.12723%0.226CC..THydrogen-bonded Turntrans52.151.1-179.5-47.9-86000111.8I26 Y29 F30 M233 Y278 M338 D340 A344I26-F342 HydrophobicContact CB-CD1 4.34Å; I26-F342 HydrophobicContact CB-CE1 4.33Å; I26-F342 HydrophobicContact CG1-CB 4.3Å; I26-F342 HydrophobicContact CG1-CD1 3.96Å; I26-F342 HydrophobicContact CG1-CD2 4.17Å; I26-F342 HydrophobicContact CG1-CE1 4.32Å; I26-F342 HydrophobicContact CG1-CG 3.88Å; I26-F342 HydrophobicContact CG2-CD1 4.17Å; I26-F342 HydrophobicContact CG2-CE1 3.68Å; I26-F342 HydrophobicContact CG2-CE2 4.27Å; I26-F342 HydrophobicContact CG2-CZ 3.74Å; Y29-F342 AromaticContact CD1-CD1 3.77Å; Y29-F342 HydrophobicContact CD1-CD1 3.77Å; Y29-F342 AromaticContact CD1-CE1 3.82Å; Y29-F342 HydrophobicContact CD1-CE1 3.82Å; F30-F342 HydrophobicContact CD2-CE1 4.49Å; F30-F342 HydrophobicContact CE1-CE1 4.4Å; F30-F342 HydrophobicContact CE1-CZ 4.29Å; F30-F342 AromaticContact CE2-CE1 3.96Å; F30-F342 HydrophobicContact CE2-CE1 3.96Å; F30-F342 AromaticContact CE2-CZ 3.75Å; F30-F342 HydrophobicContact CE2-CZ 3.75Å; F30-F342 AromaticContact CZ-CE1 3.93Å; F30-F342 HydrophobicContact CZ-CE1 3.93Å; F30-F342 AromaticContact CZ-CZ 3.53Å; F30-F342 HydrophobicContact CZ-CZ 3.53Å; M233-F342 HydrophobicContact CE-CD2 3.56Å; M233-F342 HydrophobicContact CE-CE2 3.29Å; M233-F342 HydrophobicContact CE-CZ 4.19Å; M233-F342 HydrophobicContact SD-CE2 4.2Å; Y278-F342 HydrophobicContact CD1-CB 4.39Å; Y278-F342 HydrophobicContact CE1-CD2 4.14Å; M338-F342 WeakPolarHBondContact O-CA 3.38Å; M338-F342 PolarHBondContact O-N 2.93Å; M338-F342 VanDerWaalsContact O-N 3.11Å; D340-F342 VanDerWaalsContact C-N 3.29Å; D340-F342 PolarHBondContact O-N 3.49Å; F342-A344 PolarHBondContact O-N 3.5Å
343N98.3Very high98.6Very high28 Ų2842.4 Ų42.415%0.1522%0.217CC..  trans-69.474.4-178.6-167.8-16.2000111.8E337 D340 D341 A345 N346 G347E337-N343 WeakPolarHBondContact O-CB 3.12Å; E337-N343 PolarHBondContact O-N 3.42Å; D340-N343 VanDerWaalsContact O-CB 3.3Å; D340-N343 WeakPolarHBondContact O-CB 3.36Å; D340-N343 PolarHBondContact O-N 2.71Å; D340-N343 VanDerWaalsContact O-N 3.15Å; D341-N343 VanDerWaalsContact C-N 3.35Å; D341-N343 PolarHBondContact O-N 3.45Å; N343-A345 PolarHBondContact O-N 2.92Å; N343-A345 VanDerWaalsContact O-N 3.13Å; N343-N346 HydrophobicContact CB-CB 4.46Å; N343-N346 PolarHBondContact ND2-ND2 2.69Å; N343-N346 PolarHBondContact O-N 2.9Å; N343-N346 VanDerWaalsContact O-N 3.12Å; N343-N346 PolarHBondContact OD1-N 3.42Å; N343-G347 PolarHBondContact O-N 3.38Å
344A98.3Very high98.6Very high4 Ų438.4 Ų38.43%0.03320%0.202CC..Hα-helixtrans-56.4-31.2-178.400000112.9A274 F342 I348 F386A274-A344 WeakPolarHBondContact O-CB 3.13Å; F342-A344 PolarHBondContact O-N 3.5Å; A344-I348 WeakPolarHBondContact O-CB 3.45Å; A344-I348 WeakPolarHBondContact O-CG2 3.29Å; A344-I348 PolarHBondContact O-N 2.71Å; A344-F386 HydrophobicContact CB-CE1 3.94Å
345A97.7Very high98.5Very high40 Ų4038.7 Ų38.733%0.33120%0.204SC..Hα-helixtrans-69.2-41.2179.400000112.1T275 N343 I348 T349T275-A345 WeakPolarHBondContact O-CA 3.36Å; T275-A345 PolarHBondContact O-N 3.26Å; N343-A345 PolarHBondContact O-N 2.92Å; N343-A345 VanDerWaalsContact O-N 3.13Å; A345-I348 VanDerWaalsContact O-CG2 3.27Å; A345-I348 WeakPolarHBondContact O-CG2 3.4Å; A345-T349 PolarHBondContact O-N 3.39Å; A345-T349 PolarHBondContact O-OG1 2.83Å
346N98.5Very high98.5Very high64 Ų6444 Ų4434%0.34223%0.225SC..Hα-helixtrans-78.7-37.5173.4-71.2-0.5000111.7E337 N343 I348 T349 V350E337-N346 HydrophobicContact CB-CB 3.88Å; E337-N346 VanDerWaalsContact CD-CB 3.49Å; E337-N346 HydrophobicContact CG-CB 3.85Å; E337-N346 WeakPolarHBondContact OE2-CB 3.5Å; E337-N346 PolarHBondContact OE2-ND2 2.93Å; N343-N346 HydrophobicContact CB-CB 4.46Å; N343-N346 PolarHBondContact ND2-ND2 2.69Å; N343-N346 PolarHBondContact O-N 2.9Å; N343-N346 VanDerWaalsContact O-N 3.12Å; N343-N346 PolarHBondContact OD1-N 3.42Å; N346-I348 VanDerWaalsContact C-N 3.35Å; N346-I348 PolarHBondContact O-N 3.45Å; N346-T349 WeakPolarHBondContact O-CA 3.32Å; N346-T349 WeakPolarHBondContact O-CB 3.23Å; N346-T349 PolarHBondContact O-N 3.2Å; N346-V350 PolarHBondContact O-N 3.21Å; N346-V350 VanDerWaalsContact O-N 3.11Å
347G98.7Very high98.5Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-54.7-48.117400000112N343 T349 V350 V351N343-G347 PolarHBondContact O-N 3.38Å; G347-T349 VanDerWaalsContact C-N 3.26Å; G347-T349 PolarHBondContact O-N 3.15Å; G347-V350 WeakPolarHBondContact O-CB 3.37Å; G347-V350 PolarHBondContact O-N 2.86Å; G347-V350 VanDerWaalsContact O-N 3.16Å; G347-V351 PolarHBondContact O-N 3.43Å
348I98.7Very high98.5Very high12 Ų1237.5 Ų37.56%0.06219%0.193CC..Hα-helixtrans-66.5-28.9176-164.169.2000112.5F271 T275 L299 A344 A345 N346 V350 V351 Y352 F386F271-I348 HydrophobicContact CE2-CD1 3.87Å; F271-I348 HydrophobicContact CE2-CG1 4.13Å; F271-I348 HydrophobicContact CZ-CD1 4.45Å; F271-I348 HydrophobicContact CZ-CG1 4.22Å; T275-I348 HydrophobicContact CG2-CB 3.94Å; T275-I348 HydrophobicContact CG2-CD1 3.87Å; T275-I348 HydrophobicContact CG2-CG1 3.65Å; T275-I348 HydrophobicContact CG2-CG2 4.19Å; L299-I348 HydrophobicContact CD1-CD1 4.14Å; A344-I348 WeakPolarHBondContact O-CB 3.45Å; A344-I348 WeakPolarHBondContact O-CG2 3.29Å; A344-I348 PolarHBondContact O-N 2.71Å; A345-I348 VanDerWaalsContact O-CG2 3.27Å; A345-I348 WeakPolarHBondContact O-CG2 3.4Å; N346-I348 VanDerWaalsContact C-N 3.35Å; N346-I348 PolarHBondContact O-N 3.45Å; I348-V350 VanDerWaalsContact C-N 3.3Å; I348-V350 PolarHBondContact O-N 3.06Å; I348-V351 HydrophobicContact CD1-CB 4.01Å; I348-V351 HydrophobicContact CD1-CG1 4.28Å; I348-V351 HydrophobicContact CD1-CG2 4.27Å; I348-V351 WeakPolarHBondContact O-CB 3.41Å; I348-V351 PolarHBondContact O-N 3.43Å; I348-V351 VanDerWaalsContact O-N 3.15Å; I348-Y352 HydrophobicContact CG1-CD2 4.19Å; I348-Y352 HydrophobicContact CG1-CE2 3.76Å; I348-Y352 WeakPolarHBondContact O-CD2 3.41Å; I348-Y352 PolarHBondContact O-N 3.08Å; I348-F386 HydrophobicContact CB-CE1 4.4Å; I348-F386 HydrophobicContact CB-CE2 4.49Å; I348-F386 HydrophobicContact CB-CZ 4.12Å; I348-F386 HydrophobicContact CD1-CD2 3.98Å; I348-F386 HydrophobicContact CD1-CE2 4.01Å; I348-F386 HydrophobicContact CD1-CG 4.38Å; I348-F386 HydrophobicContact CD1-CZ 4.42Å
349T98.6Very high98.3Very high62 Ų6239.1 Ų39.138%0.3820%0.202SC..Hα-helixtrans-61.3-40.6173.4-61.30000111A345 N346 G347 V351 Y352 E353A345-T349 PolarHBondContact O-N 3.39Å; A345-T349 PolarHBondContact O-OG1 2.83Å; N346-T349 WeakPolarHBondContact O-CA 3.32Å; N346-T349 WeakPolarHBondContact O-CB 3.23Å; N346-T349 PolarHBondContact O-N 3.2Å; G347-T349 VanDerWaalsContact C-N 3.26Å; G347-T349 PolarHBondContact O-N 3.15Å; T349-V351 VanDerWaalsContact C-N 3.34Å; T349-V351 PolarHBondContact O-N 2.83Å; T349-Y352 WeakPolarHBondContact O-CB 3.22Å; T349-Y352 PolarHBondContact O-N 3.07Å; T349-E353 WeakPolarHBondContact O-CG 3.25Å; T349-E353 PolarHBondContact O-N 2.79Å
350V98.8Very high98.2Very high0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-65.3-37.4174-1760000111.6L330 R333 F334 E337 N346 G347 I348 Y352 E353 L354L330-V350 HydrophobicContact CB-CG1 4.44Å; L330-V350 HydrophobicContact CD2-CG1 4.31Å; L330-V350 WeakPolarHBondContact O-CG1 3.33Å; R333-V350 HydrophobicContact CB-CG2 4.43Å; R333-V350 HydrophobicContact CG-CG2 3.87Å; F334-V350 HydrophobicContact CB-CB 4.32Å; F334-V350 HydrophobicContact CB-CG1 3.92Å; E337-V350 HydrophobicContact CG-CG2 4.05Å; N346-V350 PolarHBondContact O-N 3.21Å; N346-V350 VanDerWaalsContact O-N 3.11Å; G347-V350 WeakPolarHBondContact O-CB 3.37Å; G347-V350 PolarHBondContact O-N 2.86Å; G347-V350 VanDerWaalsContact O-N 3.16Å; I348-V350 VanDerWaalsContact C-N 3.3Å; I348-V350 PolarHBondContact O-N 3.06Å; V350-Y352 VanDerWaalsContact C-N 3.31Å; V350-Y352 PolarHBondContact O-N 2.9Å; V350-E353 WeakPolarHBondContact O-CB 3.49Å; V350-E353 PolarHBondContact O-N 3.11Å; V350-E353 VanDerWaalsContact O-N 3.12Å; V350-L354 PolarHBondContact O-N 3.23Å
351V98.8Very high98.2Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-61.8-38.9173.4-177.90000111.3L299 F334 G347 I348 T349 E353 L354 A355 Y379 M382 L383 F386L299-V351 HydrophobicContact CD2-CG1 4.03Å; F334-V351 HydrophobicContact CD2-CG2 4.33Å; F334-V351 HydrophobicContact CE2-CG2 4.21Å; G347-V351 PolarHBondContact O-N 3.43Å; I348-V351 HydrophobicContact CD1-CB 4.01Å; I348-V351 HydrophobicContact CD1-CG1 4.28Å; I348-V351 HydrophobicContact CD1-CG2 4.27Å; I348-V351 WeakPolarHBondContact O-CB 3.41Å; I348-V351 PolarHBondContact O-N 3.43Å; I348-V351 VanDerWaalsContact O-N 3.15Å; T349-V351 VanDerWaalsContact C-N 3.34Å; T349-V351 PolarHBondContact O-N 2.83Å; V351-E353 VanDerWaalsContact C-N 3.34Å; V351-L354 PolarHBondContact O-N 3.47Å; V351-A355 WeakPolarHBondContact O-CB 3.35Å; V351-A355 PolarHBondContact O-N 2.87Å; V351-Y379 HydrophobicContact CG1-CD2 4.09Å; V351-Y379 HydrophobicContact CG1-CE2 3.6Å; V351-M382 HydrophobicContact CG2-CB 3.82Å; V351-M382 HydrophobicContact CG2-SD 4.25Å; V351-L383 HydrophobicContact CG1-CD2 3.8Å; V351-L383 HydrophobicContact CG1-CG 4.16Å; V351-F386 HydrophobicContact CG2-CE2 3.97Å
352Y98.7Very high98Very high57 Ų5732.1 Ų32.122%0.22417%0.165CC..Hα-helixtrans-64.6-36.6172.6-79.6-63.3000113.3F271 N295 K298 L299 I348 T349 V350 A355 K356F271-Y352 WeakPolarHBondContact CZ-OH 3.38Å; N295-Y352 VanDerWaalsContact C-OH 3.26Å; N295-Y352 WeakPolarHBondContact CB-OH 3.19Å; N295-Y352 PolarHBondContact O-OH 3.09Å; K298-Y352 HydrophobicContact CB-CE1 4.42Å; L299-Y352 HydrophobicContact CD1-CE1 4.07Å; L299-Y352 HydrophobicContact CD2-CD1 3.49Å; L299-Y352 VanDerWaalsContact CD2-CD1 3.49Å; L299-Y352 HydrophobicContact CD2-CE1 3.38Å; L299-Y352 HydrophobicContact CD2-CG 4.2Å; L299-Y352 HydrophobicContact CG-CD1 4.17Å; L299-Y352 HydrophobicContact CG-CE1 3.51Å; I348-Y352 HydrophobicContact CG1-CD2 4.19Å; I348-Y352 HydrophobicContact CG1-CE2 3.76Å; I348-Y352 WeakPolarHBondContact O-CD2 3.41Å; I348-Y352 PolarHBondContact O-N 3.08Å; T349-Y352 WeakPolarHBondContact O-CB 3.22Å; T349-Y352 PolarHBondContact O-N 3.07Å; V350-Y352 VanDerWaalsContact C-N 3.31Å; V350-Y352 PolarHBondContact O-N 2.9Å; Y352-A355 WeakPolarHBondContact O-CB 3.35Å; Y352-A355 PolarHBondContact O-N 3.24Å; Y352-K356 WeakPolarHBondContact O-CB 3.49Å; Y352-K356 PolarHBondContact O-N 3.48Å
353E98.8Very high97.8Very high62 Ų6238.1 Ų38.129%0.2919%0.194SC..Hα-helixtrans-65.6-40.7174.5-67.9173.8-172.600111.4L330 R333 T349 V350 V351 K356 W357L330-E353 HydrophobicContact CD2-CB 3.85Å; R333-E353 IonicContact CZ-OE1 3.86Å; R333-E353 VanDerWaalsContact CZ-OE1 3.23Å; R333-E353 IonicContact CZ-OE2 2.63Å; R333-E353 IonicContact NH1-OE1 3.74Å; R333-E353 PolarHBondContact NH1-OE1 3.48Å; R333-E353 IonicContact NH1-OE2 3.64Å; R333-E353 PolarHBondContact NH1-OE2 2.96Å; R333-E353 IonicContact NH2-OE1 2.87Å; R333-E353 PolarHBondContact NH2-OE1 2.87Å; R333-E353 IonicContact NH2-OE2 3.87Å; T349-E353 WeakPolarHBondContact O-CG 3.25Å; T349-E353 PolarHBondContact O-N 2.79Å; V350-E353 WeakPolarHBondContact O-CB 3.49Å; V350-E353 PolarHBondContact O-N 3.11Å; V350-E353 VanDerWaalsContact O-N 3.12Å; V351-E353 VanDerWaalsContact C-N 3.34Å; E353-K356 WeakPolarHBondContact O-CB 3.17Å; E353-K356 PolarHBondContact O-N 2.96Å; E353-W357 WeakPolarHBondContact O-CB 3.1Å; E353-W357 PolarHBondContact O-N 3.17Å
354L98.7Very high97.7Very high1 Ų140.6 Ų40.61%0.00520%0.204CC..Hα-helixtrans-65.2-40.3172.4-179.252.5000112L327 L330 V350 V351 K356 W357 L358 Y379 M382L327-L354 HydrophobicContact CD2-CD1 3.48Å; L327-L354 VanDerWaalsContact CD2-CD1 3.48Å; L330-L354 HydrophobicContact CD1-CB 4.13Å; L330-L354 HydrophobicContact CD1-CD1 3.9Å; V350-L354 PolarHBondContact O-N 3.23Å; V351-L354 PolarHBondContact O-N 3.47Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 3.4Å; L354-W357 HydrophobicContact CD1-CE3 4.3Å; L354-W357 WeakPolarHBondContact O-CB 3.29Å; L354-W357 PolarHBondContact O-N 2.95Å; L354-L358 HydrophobicContact CD1-CG 4.43Å; L354-L358 WeakPolarHBondContact O-CB 3.18Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.12Å; L354-Y379 HydrophobicContact CB-CD2 4.23Å; L354-Y379 HydrophobicContact CD2-CD2 3.84Å; L354-Y379 HydrophobicContact CD2-CG 4.34Å; L354-Y379 HydrophobicContact CG-CD2 3.77Å; L354-Y379 HydrophobicContact CG-CG 4.44Å; L354-M382 HydrophobicContact CD2-SD 3.9Å
355A98.6Very high97.5Very high5 Ų549.1 Ų49.14%0.04124%0.243CC..Hα-helixtrans-60-41.2173.500000111.8L299 A302 V351 Y352 L358 N359 Y379L299-A355 HydrophobicContact CD2-CB 3.96Å; A302-A355 HydrophobicContact CB-CB 3.7Å; V351-A355 WeakPolarHBondContact O-CB 3.35Å; V351-A355 PolarHBondContact O-N 2.87Å; Y352-A355 WeakPolarHBondContact O-CB 3.35Å; Y352-A355 PolarHBondContact O-N 3.24Å; A355-L358 PolarHBondContact O-N 2.91Å; A355-N359 PolarHBondContact O-N 3.22Å; A355-N359 VanDerWaalsContact O-N 3.08Å; A355-N359 PolarHBondContact O-ND2 2.72Å; A355-Y379 HydrophobicContact CB-CE2 3.83Å
356K98.4Very high97.4Very high140 Ų14053.9 Ų53.961%0.60925%0.253SS*.Hα-helixtrans-66.1-42.8174.8-177.6-178.9178.9-177.30111.6Y352 E353 L354 L358 N359 N360Y352-K356 WeakPolarHBondContact O-CB 3.49Å; Y352-K356 PolarHBondContact O-N 3.48Å; E353-K356 WeakPolarHBondContact O-CB 3.17Å; E353-K356 PolarHBondContact O-N 2.96Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 3.4Å; K356-L358 VanDerWaalsContact C-N 3.35Å; K356-N359 PolarHBondContact O-N 3.07Å; K356-N360 WeakPolarHBondContact O-CB 3.39Å; K356-N360 VanDerWaalsContact O-CG 3.25Å; K356-N360 PolarHBondContact O-N 2.65Å; K356-N360 PolarHBondContact O-ND2 3.27Å
357W98.6Very high97.3Very high34 Ų3450.9 Ų50.913%0.12924%0.237CC..Hα-helixtrans-59.3-46.5175.4-175.597.6000111.1K323 E326 L327 L330 E353 L354 N359 N360 Y361 V371 A375K323-W357 HydrophobicContact CB-CH2 4.48Å; K323-W357 HydrophobicContact CB-CZ2 4.05Å; K323-W357 HydrophobicContact CD-CZ2 4.15Å; E326-W357 PolarHBondContact OE2-NE1 3.12Å; L327-W357 HydrophobicContact CD1-CH2 4.03Å; L327-W357 HydrophobicContact CD1-CZ3 4.36Å; L327-W357 HydrophobicContact CD2-CD2 3.99Å; L327-W357 HydrophobicContact CD2-CE3 3.67Å; L327-W357 HydrophobicContact CD2-CH2 3.86Å; L327-W357 HydrophobicContact CD2-CZ2 4.13Å; L327-W357 HydrophobicContact CD2-CZ3 3.64Å; L327-W357 HydrophobicContact CG-CH2 3.95Å; L327-W357 HydrophobicContact CG-CZ2 4.08Å; L327-W357 HydrophobicContact CG-CZ3 4.24Å; L330-W357 HydrophobicContact CD1-CB 4.23Å; L330-W357 HydrophobicContact CD1-CG 4.35Å; E353-W357 WeakPolarHBondContact O-CB 3.1Å; E353-W357 PolarHBondContact O-N 3.17Å; L354-W357 HydrophobicContact CD1-CE3 4.3Å; L354-W357 WeakPolarHBondContact O-CB 3.29Å; L354-W357 PolarHBondContact O-N 2.95Å; W357-N359 PolarHBondContact O-N 3.41Å; W357-N360 PolarHBondContact O-N 2.81Å; W357-Y361 AromaticContact CH2-CD1 3.99Å; W357-Y361 HydrophobicContact CH2-CD1 3.99Å; W357-Y361 HydrophobicContact CH2-CD2 4.41Å; W357-Y361 HydrophobicContact CH2-CE1 4.47Å; W357-Y361 AromaticContact CH2-CG 3.94Å; W357-Y361 HydrophobicContact CH2-CG 3.94Å; W357-Y361 HydrophobicContact CZ2-CG 4.4Å; W357-Y361 HydrophobicContact CZ3-CD1 4.12Å; W357-Y361 HydrophobicContact CZ3-CG 4.18Å; W357-Y361 WeakPolarHBondContact O-CB 3.13Å; W357-Y361 PolarHBondContact O-N 2.97Å; W357-V371 HydrophobicContact CH2-CG1 3.57Å; W357-V371 HydrophobicContact CZ2-CG1 4.38Å; W357-V371 HydrophobicContact CZ3-CG1 4.49Å; W357-A375 HydrophobicContact CE3-CB 4.28Å; W357-A375 HydrophobicContact CH2-CB 4.34Å; W357-A375 HydrophobicContact CZ3-CB 3.57Å
358L98Very high97.2Very high0 Ų050.9 Ų50.90%024%0.237CC..Hα-helixtrans-58.1-47.4176.9-83.6170.3000112.1A306 L354 A355 K356 Y361 S362 A375 Y379A306-L358 HydrophobicContact CB-CB 4.46Å; A306-L358 HydrophobicContact CB-CD2 3.8Å; L354-L358 HydrophobicContact CD1-CG 4.43Å; L354-L358 WeakPolarHBondContact O-CB 3.18Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.12Å; A355-L358 PolarHBondContact O-N 2.91Å; K356-L358 VanDerWaalsContact C-N 3.35Å; L358-Y361 PolarHBondContact O-N 3.26Å; L358-S362 VanDerWaalsContact O-CB 3.27Å; L358-S362 WeakPolarHBondContact O-CB 3.46Å; L358-S362 PolarHBondContact O-N 3.5Å; L358-S362 PolarHBondContact O-OG 3.09Å; L358-A375 HydrophobicContact CD2-CB 3.46Å; L358-A375 VanDerWaalsContact CD2-CB 3.46Å; L358-A375 HydrophobicContact CG-CB 4.35Å; L358-Y379 HydrophobicContact CD1-CD1 3.85Å; L358-Y379 HydrophobicContact CD1-CD2 4.01Å; L358-Y379 HydrophobicContact CD1-CE1 4.28Å; L358-Y379 HydrophobicContact CD1-CE2 4.45Å; L358-Y379 HydrophobicContact CD1-CG 3.68Å
359N96.1Very high97.1Very high36 Ų3651.7 Ų51.719%0.19325%0.245CC..Hα-helixtrans-61.1-51.1177.2-76.6-49.1000111.5A302 N305 A355 K356 W357 Y361 S362 E363A302-N359 WeakPolarHBondContact CB-ND2 3.43Å; N305-N359 PolarHBondContact ND2-OD1 3.42Å; A355-N359 PolarHBondContact O-N 3.22Å; A355-N359 VanDerWaalsContact O-N 3.08Å; A355-N359 PolarHBondContact O-ND2 2.72Å; K356-N359 PolarHBondContact O-N 3.07Å; W357-N359 PolarHBondContact O-N 3.41Å; N359-Y361 VanDerWaalsContact C-N 3.3Å; N359-Y361 PolarHBondContact O-N 3.44Å; N359-S362 PolarHBondContact O-N 3.28Å; N359-E363 WeakPolarHBondContact O-CG 3.48Å; N359-E363 PolarHBondContact O-N 2.72Å; N359-E363 VanDerWaalsContact O-N 3.08Å
360N96.6Very high97Very high86 Ų8650.4 Ų50.446%0.4624%0.241SC..Hα-helixtrans-61.3-39.1-179.6-70.2-15.5000112.5K356 W357 Q364K356-N360 WeakPolarHBondContact O-CB 3.39Å; K356-N360 VanDerWaalsContact O-CG 3.25Å; K356-N360 PolarHBondContact O-N 2.65Å; K356-N360 PolarHBondContact O-ND2 3.27Å; W357-N360 PolarHBondContact O-N 2.81Å; N360-Q364 WeakPolarHBondContact O-CG 3.29Å
361Y97.2Very high96.9Very high3 Ų350.4 Ų50.41%0.01224%0.241CC..Hα-helixtrans-68.2-44.6177.2-173.6-115.4000110.6K323 W357 L358 N359 E363 Q364 V367 S368 V371 L372K323-Y361 HydrophobicContact CD-CD2 4.27Å; K323-Y361 HydrophobicContact CD-CE2 4.1Å; K323-Y361 HydrophobicContact CG-CE2 3.99Å; W357-Y361 AromaticContact CH2-CD1 3.99Å; W357-Y361 HydrophobicContact CH2-CD1 3.99Å; W357-Y361 HydrophobicContact CH2-CD2 4.41Å; W357-Y361 HydrophobicContact CH2-CE1 4.47Å; W357-Y361 AromaticContact CH2-CG 3.94Å; W357-Y361 HydrophobicContact CH2-CG 3.94Å; W357-Y361 HydrophobicContact CZ2-CG 4.4Å; W357-Y361 HydrophobicContact CZ3-CD1 4.12Å; W357-Y361 HydrophobicContact CZ3-CG 4.18Å; W357-Y361 WeakPolarHBondContact O-CB 3.13Å; W357-Y361 PolarHBondContact O-N 2.97Å; L358-Y361 PolarHBondContact O-N 3.26Å; N359-Y361 VanDerWaalsContact C-N 3.3Å; N359-Y361 PolarHBondContact O-N 3.44Å; Y361-E363 PolarHBondContact O-N 3.22Å; Y361-Q364 WeakPolarHBondContact O-CB 3.38Å; Y361-Q364 WeakPolarHBondContact O-CG 3.11Å; Y361-Q364 PolarHBondContact O-N 2.88Å; Y361-Q364 VanDerWaalsContact O-N 3.1Å; Y361-V367 HydrophobicContact CD1-CB 4.48Å; Y361-V367 HydrophobicContact CD1-CG1 4.32Å; Y361-V367 HydrophobicContact CE1-CB 3.9Å; Y361-V367 HydrophobicContact CE1-CG1 4.17Å; Y361-V367 HydrophobicContact CE2-CG1 4.38Å; Y361-V367 WeakPolarHBondContact O-CG1 3.46Å; Y361-S368 WeakPolarHBondContact OH-CB 3.37Å; Y361-S368 PolarHBondContact OH-N 2.99Å; Y361-V371 HydrophobicContact CD1-CG1 4.17Å; Y361-V371 HydrophobicContact CE1-CB 3.88Å; Y361-V371 HydrophobicContact CE1-CG1 3.44Å; Y361-V371 VanDerWaalsContact CE1-CG1 3.44Å; Y361-V371 HydrophobicContact CE2-CG1 4.34Å; Y361-V371 WeakPolarHBondContact OH-CB 3.13Å; Y361-L372 HydrophobicContact CD1-CD2 3.72Å; Y361-L372 HydrophobicContact CD1-CG 4.21Å; Y361-L372 HydrophobicContact CE1-CD2 4.02Å; Y361-L372 HydrophobicContact CE1-CG 3.98Å
362S94.1Very high96.9Very high11 Ų1150.4 Ų50.48%0.07724%0.241CC..Hα-helixtrans-63.3-28.4-178.9-58.10000113.6R309 L358 N359 Q364R309-S362 WeakPolarHBondContact CD-O 3.46Å; R309-S362 PolarHBondContact NE-O 3.26Å; L358-S362 VanDerWaalsContact O-CB 3.27Å; L358-S362 WeakPolarHBondContact O-CB 3.46Å; L358-S362 PolarHBondContact O-N 3.5Å; L358-S362 PolarHBondContact O-OG 3.09Å; N359-S362 PolarHBondContact O-N 3.28Å; S362-Q364 VanDerWaalsContact C-N 3.31Å; S362-Q364 PolarHBondContact O-N 2.76Å
363E94.6Very high96.7Very high156 Ų15649.9 Ų49.973%0.72925%0.249SC*.THydrogen-bonded Turntrans-75.8-11.7176.8-74.2177.8-176.300114.4N359 Y361N359-E363 WeakPolarHBondContact O-CG 3.48Å; N359-E363 PolarHBondContact O-N 2.72Å; N359-E363 VanDerWaalsContact O-N 3.08Å; Y361-E363 PolarHBondContact O-N 3.22Å
364Q94.6Very high96.7Very high79 Ų7949.6 Ų49.637%0.36925%0.251SS..SBendtrans-68.6151.8179.3-61.2-178.417.900111.5R309 N360 Y361 S362 R366 V367R309-Q364 PolarHBondContact NH2-O 3.02Å; N360-Q364 WeakPolarHBondContact O-CG 3.29Å; Y361-Q364 WeakPolarHBondContact O-CB 3.38Å; Y361-Q364 WeakPolarHBondContact O-CG 3.11Å; Y361-Q364 PolarHBondContact O-N 2.88Å; Y361-Q364 VanDerWaalsContact O-N 3.1Å; S362-Q364 VanDerWaalsContact C-N 3.31Å; S362-Q364 PolarHBondContact O-N 2.76Å; Q364-R366 VanDerWaalsContact C-N 3.32Å; Q364-R366 PolarHBondContact O-N 2.92Å; Q364-V367 HydrophobicContact CB-CG1 4.01Å
365E94.2Very high96.6Very high184 Ų18449.5 Ų49.586%0.8625%0.251SS*.SBendtrans-57.9-44.6-179.8-174.6-178.2178.200112R309R309-E365 PolarHBondContact NH2-O 3.27Å
366R96.1Very high96.5Very high139 Ų13950 Ų5053%0.52525%0.252SS..SBendtrans-123.1131.4179.6-60.1176.167-160.7-2.2108.9E314 L317 Q364E314-R366 IonicContact OE1-CZ 3.36Å; E314-R366 IonicContact OE1-NE 2.67Å; E314-R366 PolarHBondContact OE1-NE 3.19Å; E314-R366 IonicContact OE1-NH2 3.22Å; E314-R366 PolarHBondContact OE1-NH2 3.25Å; E314-R366 IonicContact OE2-CZ 3.37Å; E314-R366 IonicContact OE2-NE 2.8Å; E314-R366 IonicContact OE2-NH2 2.71Å; E314-R366 PolarHBondContact OE2-NH2 3.43Å; L317-R366 HydrophobicContact CD1-CB 4.17Å; Q364-R366 VanDerWaalsContact C-N 3.32Å; Q364-R366 PolarHBondContact O-N 2.92Å
367V96.3Very high96.5Very high1 Ų147 Ų471%0.00624%0.243CC..  trans-137.3150.8178-62.90000110.2R309 A313 E314 Y361 Q364 L372R309-V367 HydrophobicContact CG-CG2 3.76Å; A313-V367 HydrophobicContact CB-CG2 3.8Å; E314-V367 PolarHBondContact N-O 3.27Å; Y361-V367 HydrophobicContact CD1-CB 4.48Å; Y361-V367 HydrophobicContact CD1-CG1 4.32Å; Y361-V367 HydrophobicContact CE1-CB 3.9Å; Y361-V367 HydrophobicContact CE1-CG1 4.17Å; Y361-V367 HydrophobicContact CE2-CG1 4.38Å; Y361-V367 WeakPolarHBondContact O-CG1 3.46Å; Q364-V367 HydrophobicContact CB-CG1 4.01Å; V367-L372 HydrophobicContact CG2-CD1 4.02Å
368S97.8Very high96.4Very high0 Ų046 Ų460%024%0.24CC..BIsolated β-bridgetrans-90.3128.8175166.60000112.2E314 D320 Y361 A370 V371 L372E314-S368 CarbonylContact O-C 3.58Å; E314-S368 WeakPolarHBondContact O-CA 3.29Å; D320-S368 VanDerWaalsContact CG-OG 3.25Å; D320-S368 WeakPolarHBondContact OD1-CB 3.36Å; D320-S368 PolarHBondContact OD1-OG 2.9Å; D320-S368 VanDerWaalsContact OD1-OG 3.09Å; D320-S368 PolarHBondContact OD2-OG 2.88Å; Y361-S368 WeakPolarHBondContact OH-CB 3.37Å; Y361-S368 PolarHBondContact OH-N 2.99Å; S368-A370 VanDerWaalsContact C-N 3.28Å; S368-A370 PolarHBondContact O-N 3.22Å; S368-A370 PolarHBondContact OG-N 3.09Å; S368-V371 PolarHBondContact O-N 2.72Å; S368-V371 PolarHBondContact OG-N 3.21Å; S368-L372 PolarHBondContact O-N 3.05Å
369A96.2Very high96.4Very high30 Ų3046 Ų4625%0.24824%0.24CC..Hα-helixtrans-61.8-37.5173.100000111.3A313 E314 V371 L372 A373A313-A369 HydrophobicContact CB-CB 3.85Å; E314-A369 WeakPolarHBondContact O-CB 3.29Å; E314-A369 PolarHBondContact O-N 3.34Å; A369-V371 VanDerWaalsContact C-N 3.31Å; A369-V371 PolarHBondContact O-N 3.48Å; A369-L372 PolarHBondContact O-N 2.9Å; A369-A373 VanDerWaalsContact O-CB 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.36Å; A369-A373 PolarHBondContact O-N 3.28Å
370A95.6Very high96.5Very high35 Ų3547 Ų4729%0.28925%0.248SC..Hα-helixtrans-65.2-35.8177.400000112.1S368 T374S368-A370 VanDerWaalsContact C-N 3.28Å; S368-A370 PolarHBondContact O-N 3.22Å; S368-A370 PolarHBondContact OG-N 3.09Å; A370-T374 PolarHBondContact O-N 3.09Å; A370-T374 PolarHBondContact O-OG1 3.13Å
371V98Very high96.6Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-72.3-47.4175.5172.90000110.9D320 K323 W357 Y361 S368 A369 A373 T374 A375D320-V371 HydrophobicContact CB-CG2 3.91Å; K323-V371 HydrophobicContact CB-CG1 3.7Å; K323-V371 HydrophobicContact CB-CG2 4.04Å; K323-V371 HydrophobicContact CG-CG1 4.48Å; W357-V371 HydrophobicContact CH2-CG1 3.57Å; W357-V371 HydrophobicContact CZ2-CG1 4.38Å; W357-V371 HydrophobicContact CZ3-CG1 4.49Å; Y361-V371 HydrophobicContact CD1-CG1 4.17Å; Y361-V371 HydrophobicContact CE1-CB 3.88Å; Y361-V371 HydrophobicContact CE1-CG1 3.44Å; Y361-V371 VanDerWaalsContact CE1-CG1 3.44Å; Y361-V371 HydrophobicContact CE2-CG1 4.34Å; Y361-V371 WeakPolarHBondContact OH-CB 3.13Å; S368-V371 PolarHBondContact O-N 2.72Å; S368-V371 PolarHBondContact OG-N 3.21Å; A369-V371 VanDerWaalsContact C-N 3.31Å; A369-V371 PolarHBondContact O-N 3.48Å; V371-A373 VanDerWaalsContact C-N 3.33Å; V371-A373 PolarHBondContact O-N 3.12Å; V371-T374 PolarHBondContact O-N 3.07Å; V371-A375 WeakPolarHBondContact O-CB 3.18Å; V371-A375 PolarHBondContact O-N 3.14Å
372L97.1Very high96.7Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-57.9-44.6176.4-75.8174.6000111.9A306 R309 Q310 A313 Y361 V367 S368 A369 T374 A375 L376A306-L372 HydrophobicContact CB-CD2 4.31Å; R309-L372 HydrophobicContact CB-CD1 4.05Å; R309-L372 HydrophobicContact CG-CD1 3.98Å; Q310-L372 HydrophobicContact CG-CB 4.08Å; Q310-L372 HydrophobicContact CG-CD1 4.11Å; A313-L372 HydrophobicContact CB-CD1 4.03Å; Y361-L372 HydrophobicContact CD1-CD2 3.72Å; Y361-L372 HydrophobicContact CD1-CG 4.21Å; Y361-L372 HydrophobicContact CE1-CD2 4.02Å; Y361-L372 HydrophobicContact CE1-CG 3.98Å; V367-L372 HydrophobicContact CG2-CD1 4.02Å; S368-L372 PolarHBondContact O-N 3.05Å; A369-L372 PolarHBondContact O-N 2.9Å; L372-T374 VanDerWaalsContact C-N 3.34Å; L372-T374 PolarHBondContact O-N 2.79Å; L372-A375 PolarHBondContact O-N 3.08Å; L372-L376 WeakPolarHBondContact O-CB 3.22Å; L372-L376 WeakPolarHBondContact O-CG 3.4Å; L372-L376 PolarHBondContact O-N 3.2Å
373A96.1Very high96.9Very high46 Ų4646.7 Ų46.738%0.3824%0.241SC..Hα-helixtrans-61.2-42177.200000112.1A369 V371 D377A369-A373 VanDerWaalsContact O-CB 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.36Å; A369-A373 PolarHBondContact O-N 3.28Å; V371-A373 VanDerWaalsContact C-N 3.33Å; V371-A373 PolarHBondContact O-N 3.12Å; A373-D377 VanDerWaalsContact O-CB 3.26Å; A373-D377 WeakPolarHBondContact O-CB 3.5Å; A373-D377 PolarHBondContact O-N 3.47Å
374T96.9Very high97Very high55 Ų5541.2 Ų41.234%0.33722%0.218SC..Hα-helixtrans-64.3-44.2176.7-540000111.1L327 A370 V371 L372 E378L327-T374 HydrophobicContact CD1-CG2 4.07Å; A370-T374 PolarHBondContact O-N 3.09Å; A370-T374 PolarHBondContact O-OG1 3.13Å; V371-T374 PolarHBondContact O-N 3.07Å; L372-T374 VanDerWaalsContact C-N 3.34Å; L372-T374 PolarHBondContact O-N 2.79Å; T374-E378 PolarHBondContact O-N 2.91Å; T374-E378 VanDerWaalsContact O-N 3.1Å
375A98.1Very high97.2Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-67.3-43.8-179.400000112.2L327 W357 L358 V371 L372 E378 Y379L327-A375 HydrophobicContact CD1-CB 3.74Å; L327-A375 HydrophobicContact CD2-CB 3.7Å; L327-A375 HydrophobicContact CG-CB 4.39Å; W357-A375 HydrophobicContact CE3-CB 4.28Å; W357-A375 HydrophobicContact CH2-CB 4.34Å; W357-A375 HydrophobicContact CZ3-CB 3.57Å; L358-A375 HydrophobicContact CD2-CB 3.46Å; L358-A375 VanDerWaalsContact CD2-CB 3.46Å; L358-A375 HydrophobicContact CG-CB 4.35Å; V371-A375 WeakPolarHBondContact O-CB 3.18Å; V371-A375 PolarHBondContact O-N 3.14Å; L372-A375 PolarHBondContact O-N 3.08Å; A375-E378 PolarHBondContact O-N 2.81Å; A375-Y379 WeakPolarHBondContact O-CB 3.16Å; A375-Y379 PolarHBondContact O-N 3.05Å
376L97Very high97.5Very high14 Ų1428.8 Ų28.87%0.07316%0.16CC..Hα-helixtrans-65.7-39.5177.1-80.3168.5000112.4F303 A306 Q310 L372 T380F303-L376 HydrophobicContact CD2-CD2 3.81Å; F303-L376 HydrophobicContact CE2-CD2 4.1Å; A306-L376 HydrophobicContact CB-CD1 4.28Å; A306-L376 HydrophobicContact CB-CD2 3.82Å; A306-L376 HydrophobicContact CB-CG 4.1Å; Q310-L376 HydrophobicContact CG-CD1 4.12Å; L372-L376 WeakPolarHBondContact O-CB 3.22Å; L372-L376 WeakPolarHBondContact O-CG 3.4Å; L372-L376 PolarHBondContact O-N 3.2Å; L376-T380 VanDerWaalsContact O-CB 3.25Å; L376-T380 WeakPolarHBondContact O-CB 3.43Å; L376-T380 PolarHBondContact O-N 2.75Å; L376-T380 PolarHBondContact O-OG1 2.84Å
377D96.7Very high97.6Very high77 Ų7722.1 Ų22.141%0.41214%0.135SC..Hα-helixtrans-62-50.2175.2173.265.8000111.1A373 T380 K381A373-D377 VanDerWaalsContact O-CB 3.26Å; A373-D377 WeakPolarHBondContact O-CB 3.5Å; A373-D377 PolarHBondContact O-N 3.47Å; D377-T380 PolarHBondContact O-N 3.06Å; D377-K381 VanDerWaalsContact CG-NZ 3.27Å; D377-K381 WeakPolarHBondContact O-CB 3.5Å; D377-K381 VanDerWaalsContact O-CG 3.3Å; D377-K381 WeakPolarHBondContact O-CG 3.46Å; D377-K381 PolarHBondContact O-N 3.27Å; D377-K381 WeakPolarHBondContact OD1-CE 3.12Å; D377-K381 IonicContact OD1-NZ 3.46Å; D377-K381 PolarHBondContact OD1-NZ 3.49Å; D377-K381 VanDerWaalsContact OD1-NZ 3.13Å; D377-K381 WeakPolarHBondContact OD2-CE 3.25Å; D377-K381 IonicContact OD2-NZ 2.88Å; D377-K381 PolarHBondContact OD2-NZ 2.72Å
378E97.8Very high97.7Very high14 Ų1422.1 Ų22.17%0.06514%0.135CC..Hα-helixtrans-65.8-41.6178.2-172.360.5-13700111.9Y32 K331 T374 A375 T380 K381 M382Y32-E378 PolarHBondContact OH-OE1 2.86Å; K331-E378 HydrophobicContact CB-CG 4.47Å; K331-E378 WeakPolarHBondContact CD-OE2 3.23Å; K331-E378 WeakPolarHBondContact CE-OE2 3.31Å; K331-E378 IonicContact NZ-OE1 3.23Å; K331-E378 IonicContact NZ-OE2 2.82Å; K331-E378 PolarHBondContact NZ-OE2 3.22Å; T374-E378 PolarHBondContact O-N 2.91Å; T374-E378 VanDerWaalsContact O-N 3.1Å; A375-E378 PolarHBondContact O-N 2.81Å; E378-T380 PolarHBondContact O-N 3.07Å; E378-K381 PolarHBondContact O-N 2.65Å; E378-M382 HydrophobicContact CG-CE 3.79Å; E378-M382 WeakPolarHBondContact O-CG 3.34Å; E378-M382 PolarHBondContact O-N 2.82Å; E378-M382 WeakPolarHBondContact OE1-CE 3.41Å
379Y98.4Very high97.5Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-60.2-45176.4-173.9-115.9000111.9L299 F303 V351 L354 A355 L358 A375 M382 L383L299-Y379 VanDerWaalsContact C-OH 3.28Å; L299-Y379 WeakPolarHBondContact CA-OH 3.48Å; L299-Y379 VanDerWaalsContact CB-OH 3.27Å; L299-Y379 WeakPolarHBondContact CB-OH 3.42Å; L299-Y379 HydrophobicContact CD2-CE2 4.4Å; L299-Y379 VanDerWaalsContact CD2-OH 3.29Å; L299-Y379 WeakPolarHBondContact CD2-OH 3.31Å; L299-Y379 PolarHBondContact O-OH 3.47Å; F303-Y379 HydrophobicContact CB-CE1 4.03Å; F303-Y379 HydrophobicContact CD2-CD1 4.27Å; F303-Y379 HydrophobicContact CD2-CE1 4.49Å; V351-Y379 HydrophobicContact CG1-CD2 4.09Å; V351-Y379 HydrophobicContact CG1-CE2 3.6Å; L354-Y379 HydrophobicContact CB-CD2 4.23Å; L354-Y379 HydrophobicContact CD2-CD2 3.84Å; L354-Y379 HydrophobicContact CD2-CG 4.34Å; L354-Y379 HydrophobicContact CG-CD2 3.77Å; L354-Y379 HydrophobicContact CG-CG 4.44Å; A355-Y379 HydrophobicContact CB-CE2 3.83Å; L358-Y379 HydrophobicContact CD1-CD1 3.85Å; L358-Y379 HydrophobicContact CD1-CD2 4.01Å; L358-Y379 HydrophobicContact CD1-CE1 4.28Å; L358-Y379 HydrophobicContact CD1-CE2 4.45Å; L358-Y379 HydrophobicContact CD1-CG 3.68Å; A375-Y379 WeakPolarHBondContact O-CB 3.16Å; A375-Y379 PolarHBondContact O-N 3.05Å; Y379-M382 PolarHBondContact O-N 2.88Å; Y379-L383 HydrophobicContact CD1-CD1 3.68Å; Y379-L383 HydrophobicContact CE1-CD1 3.43Å; Y379-L383 VanDerWaalsContact CE1-CD1 3.43Å; Y379-L383 HydrophobicContact CE1-CG 4.43Å; Y379-L383 HydrophobicContact CE2-CD1 4.33Å; Y379-L383 HydrophobicContact CG-CD1 4.25Å; Y379-L383 WeakPolarHBondContact O-CB 3.38Å; Y379-L383 VanDerWaalsContact O-CG 3.3Å; Y379-L383 WeakPolarHBondContact O-CG 3.35Å; Y379-L383 PolarHBondContact O-N 3.11Å
380T97.8Very high97.3Very high58 Ų5825.8 Ų25.836%0.35615%0.146SC..Hα-helixtrans-61.9-43.9174.9-59.40000111.2L376 D377 E378 L383 T384L376-T380 VanDerWaalsContact O-CB 3.25Å; L376-T380 WeakPolarHBondContact O-CB 3.43Å; L376-T380 PolarHBondContact O-N 2.75Å; L376-T380 PolarHBondContact O-OG1 2.84Å; D377-T380 PolarHBondContact O-N 3.06Å; E378-T380 PolarHBondContact O-N 3.07Å; T380-L383 PolarHBondContact O-N 3.39Å; T380-T384 VanDerWaalsContact O-CB 3.32Å; T380-T384 WeakPolarHBondContact O-CB 3.49Å; T380-T384 PolarHBondContact O-N 2.83Å; T380-T384 PolarHBondContact O-OG1 3.25Å
381K98Very high96.3Very high89 Ų8931.1 Ų31.139%0.38717%0.166SC..Hα-helixtrans-61.8-44.3177.8-75.6168178.51660112.2Y32 D377 E378 T384 V385Y32-K381 HydrophobicContact CD2-CB 4.2Å; Y32-K381 HydrophobicContact CE2-CB 3.98Å; D377-K381 VanDerWaalsContact CG-NZ 3.27Å; D377-K381 WeakPolarHBondContact O-CB 3.5Å; D377-K381 VanDerWaalsContact O-CG 3.3Å; D377-K381 WeakPolarHBondContact O-CG 3.46Å; D377-K381 PolarHBondContact O-N 3.27Å; D377-K381 WeakPolarHBondContact OD1-CE 3.12Å; D377-K381 IonicContact OD1-NZ 3.46Å; D377-K381 PolarHBondContact OD1-NZ 3.49Å; D377-K381 VanDerWaalsContact OD1-NZ 3.13Å; D377-K381 WeakPolarHBondContact OD2-CE 3.25Å; D377-K381 IonicContact OD2-NZ 2.88Å; D377-K381 PolarHBondContact OD2-NZ 2.72Å; E378-K381 PolarHBondContact O-N 2.65Å; K381-T384 WeakPolarHBondContact O-CB 3.26Å; K381-T384 PolarHBondContact O-N 3.2Å; K381-V385 PolarHBondContact O-N 2.73Å
382M98.7Very high94.5Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-65.4-44176.6-67.8180177.300112K331 F334 V351 L354 E378 Y379 T384 V385 F386K331-M382 HydrophobicContact CB-CE 4.15Å; K331-M382 HydrophobicContact CG-CE 4.48Å; F334-M382 HydrophobicContact CB-CE 3.5Å; F334-M382 VanDerWaalsContact CB-CE 3.5Å; F334-M382 HydrophobicContact CB-SD 4.1Å; F334-M382 HydrophobicContact CD1-CE 4.11Å; F334-M382 HydrophobicContact CD1-CG 3.93Å; F334-M382 HydrophobicContact CD1-SD 4.41Å; F334-M382 HydrophobicContact CD2-CG 4.29Å; F334-M382 HydrophobicContact CD2-SD 4.19Å; F334-M382 HydrophobicContact CE1-CG 4.07Å; F334-M382 HydrophobicContact CE2-CB 4.38Å; F334-M382 HydrophobicContact CE2-CG 4.42Å; F334-M382 HydrophobicContact CG-CE 3.83Å; F334-M382 HydrophobicContact CG-CG 4.04Å; F334-M382 HydrophobicContact CG-SD 3.97Å; F334-M382 HydrophobicContact CZ-CB 4.3Å; F334-M382 HydrophobicContact CZ-CG 4.31Å; V351-M382 HydrophobicContact CG2-CB 3.82Å; V351-M382 HydrophobicContact CG2-SD 4.25Å; L354-M382 HydrophobicContact CD2-SD 3.9Å; E378-M382 HydrophobicContact CG-CE 3.79Å; E378-M382 WeakPolarHBondContact O-CG 3.34Å; E378-M382 PolarHBondContact O-N 2.82Å; E378-M382 WeakPolarHBondContact OE1-CE 3.41Å; Y379-M382 PolarHBondContact O-N 2.88Å; M382-T384 VanDerWaalsContact C-N 3.28Å; M382-T384 PolarHBondContact O-N 3.41Å; M382-V385 WeakPolarHBondContact O-CB 3.47Å; M382-V385 PolarHBondContact O-N 2.8Å; M382-F386 VanDerWaalsContact O-CD2 3.26Å; M382-F386 WeakPolarHBondContact O-CD2 3.24Å
383L98.7Very high92.2Very high3 Ų338.4 Ų38.42%0.01622%0.219CC..Hα-helixtrans-61-38.1174.8-74.4170.6000112.2L299 V351 Y379 T380 V385 F386 G387 I388 F390L299-L383 HydrophobicContact CD1-CD2 3.99Å; V351-L383 HydrophobicContact CG1-CD2 3.8Å; V351-L383 HydrophobicContact CG1-CG 4.16Å; Y379-L383 HydrophobicContact CD1-CD1 3.68Å; Y379-L383 HydrophobicContact CE1-CD1 3.43Å; Y379-L383 VanDerWaalsContact CE1-CD1 3.43Å; Y379-L383 HydrophobicContact CE1-CG 4.43Å; Y379-L383 HydrophobicContact CE2-CD1 4.33Å; Y379-L383 HydrophobicContact CG-CD1 4.25Å; Y379-L383 WeakPolarHBondContact O-CB 3.38Å; Y379-L383 VanDerWaalsContact O-CG 3.3Å; Y379-L383 WeakPolarHBondContact O-CG 3.35Å; Y379-L383 PolarHBondContact O-N 3.11Å; T380-L383 PolarHBondContact O-N 3.39Å; L383-V385 PolarHBondContact O-N 3.13Å; L383-F386 CarbonylContact O-C 3.6Å; L383-F386 WeakPolarHBondContact O-CA 3.29Å; L383-F386 PolarHBondContact O-N 3.28Å; L383-G387 PolarHBondContact O-N 2.83Å; L383-I388 CarbonylContact C-O 3.58Å; L383-I388 HydrophobicContact CB-CB 4.22Å; L383-I388 HydrophobicContact CD2-CB 4.21Å; L383-I388 HydrophobicContact CD2-CG2 4.09Å; L383-I388 PolarHBondContact O-N 2.74Å; L383-F390 HydrophobicContact CD1-CD2 3.64Å; L383-F390 HydrophobicContact CD1-CE2 3.49Å; L383-F390 VanDerWaalsContact CD1-CE2 3.49Å; L383-F390 HydrophobicContact CD2-CE2 4.27Å
384T98.1Very high90Very high41 Ų4137.3 Ų37.325%0.25221%0.212SC..Hα-helixtrans-61.7-30.4177.8-61.30000112R28 T380 K381 M382 F386 G387R28-T384 WeakPolarHBondContact CD-O 3.47Å; R28-T384 PolarHBondContact NH1-O 3.08Å; T380-T384 VanDerWaalsContact O-CB 3.32Å; T380-T384 WeakPolarHBondContact O-CB 3.49Å; T380-T384 PolarHBondContact O-N 2.83Å; T380-T384 PolarHBondContact O-OG1 3.25Å; K381-T384 WeakPolarHBondContact O-CB 3.26Å; K381-T384 PolarHBondContact O-N 3.2Å; M382-T384 VanDerWaalsContact C-N 3.28Å; M382-T384 PolarHBondContact O-N 3.41Å; T384-F386 VanDerWaalsContact C-N 3.25Å; T384-F386 PolarHBondContact O-N 3.33Å; T384-G387 PolarHBondContact O-N 3.09Å
385V98.7Very high87.8Confident2 Ų235.6 Ų35.61%0.01220%0.201CC..Hα-helixtrans-59-39.9172.1174.60000110.8V25 Y29 Y32 F334 M338 K381 M382 L383 G387V25-V385 HydrophobicContact CG1-CG1 4.26Å; Y29-V385 HydrophobicContact CD2-CG1 4.33Å; Y32-V385 HydrophobicContact CD2-CG2 4.07Å; Y32-V385 HydrophobicContact CG-CG2 3.95Å; F334-V385 HydrophobicContact CE1-CG2 4.33Å; F334-V385 HydrophobicContact CZ-CB 4.25Å; F334-V385 HydrophobicContact CZ-CG1 4.32Å; F334-V385 HydrophobicContact CZ-CG2 4.18Å; M338-V385 HydrophobicContact CE-CG1 4.07Å; K381-V385 PolarHBondContact O-N 2.73Å; M382-V385 WeakPolarHBondContact O-CB 3.47Å; M382-V385 PolarHBondContact O-N 2.8Å; L383-V385 PolarHBondContact O-N 3.13Å; V385-G387 PolarHBondContact O-N 3.39Å
386F98.7Very high86Confident0 Ų040.3 Ų40.30%023%0.226CC..THydrogen-bonded Turntrans-82.22.7175.8-58-77.6000113.6V25 R270 A274 T275 F334 M338 A344 I348 V351 M382 L383 T384 I388V25-F386 HydrophobicContact CG1-CD1 4.5Å; R270-F386 PolarHBondContact NE-O 2.86Å; R270-F386 PolarHBondContact NH2-O 2.76Å; A274-F386 HydrophobicContact CB-CB 4.07Å; A274-F386 HydrophobicContact CB-CD1 4.28Å; A274-F386 VanDerWaalsContact CB-O 3.3Å; A274-F386 WeakPolarHBondContact CB-O 3.39Å; A274-F386 WeakPolarHBondContact O-CD1 3.35Å; T275-F386 HydrophobicContact CG2-CD1 4.19Å; F334-F386 AromaticContact CE2-CE2 3.78Å; F334-F386 HydrophobicContact CE2-CE2 3.78Å; F334-F386 HydrophobicContact CE2-CZ 4.03Å; F334-F386 HydrophobicContact CZ-CE2 4.2Å; M338-F386 HydrophobicContact SD-CZ 4.26Å; A344-F386 HydrophobicContact CB-CE1 3.94Å; I348-F386 HydrophobicContact CB-CE1 4.4Å; I348-F386 HydrophobicContact CB-CE2 4.49Å; I348-F386 HydrophobicContact CB-CZ 4.12Å; I348-F386 HydrophobicContact CD1-CD2 3.98Å; I348-F386 HydrophobicContact CD1-CE2 4.01Å; I348-F386 HydrophobicContact CD1-CG 4.38Å; I348-F386 HydrophobicContact CD1-CZ 4.42Å; V351-F386 HydrophobicContact CG2-CE2 3.97Å; M382-F386 VanDerWaalsContact O-CD2 3.26Å; M382-F386 WeakPolarHBondContact O-CD2 3.24Å; L383-F386 CarbonylContact O-C 3.6Å; L383-F386 WeakPolarHBondContact O-CA 3.29Å; L383-F386 PolarHBondContact O-N 3.28Å; T384-F386 VanDerWaalsContact C-N 3.25Å; T384-F386 PolarHBondContact O-N 3.33Å; F386-I388 HydrophobicContact CB-CG1 4.09Å; F386-I388 PolarHBondContact O-N 3.14Å
387G98.3Very high84.8Confident0 Ų043.6 Ų43.60%024%0.243CC..THydrogen-bonded Turntrans67.723.4-175.100000113.7N80 L383 T384 V385N80-G387 PolarHBondContact ND2-O 2.96Å; L383-G387 PolarHBondContact O-N 2.83Å; T384-G387 PolarHBondContact O-N 3.09Å; V385-G387 PolarHBondContact O-N 3.39Å
388I98.3Very high83.6Confident1 Ų147 Ų471%0.00526%0.257CS..  trans-97.5128.1177.3-56.9-57.1000109.1R270 F271 L296 L383 F386 F390R270-I388 HydrophobicContact CG-CD1 4.1Å; F271-I388 HydrophobicContact CB-CD1 3.76Å; F271-I388 HydrophobicContact CD2-CD1 4.1Å; F271-I388 HydrophobicContact CD2-CG1 4.05Å; F271-I388 HydrophobicContact CG-CD1 4.45Å; L296-I388 HydrophobicContact CD1-CD1 4.12Å; L296-I388 HydrophobicContact CD1-CG1 4.42Å; L296-I388 HydrophobicContact CD1-CG2 3.7Å; L383-I388 CarbonylContact C-O 3.58Å; L383-I388 HydrophobicContact CB-CB 4.22Å; L383-I388 HydrophobicContact CD2-CB 4.21Å; L383-I388 HydrophobicContact CD2-CG2 4.09Å; L383-I388 PolarHBondContact O-N 2.74Å; F386-I388 HydrophobicContact CB-CG1 4.09Å; F386-I388 PolarHBondContact O-N 3.14Å; I388-F390 HydrophobicContact CG2-CD1 4.39Å; I388-F390 HydrophobicContact CG2-CE1 3.75Å; I388-F390 HydrophobicContact CG2-CE2 4.1Å; I388-F390 HydrophobicContact CG2-CZ 3.59Å
389E94Very high82.6Confident84 Ų8450.4 Ų50.439%0.39327%0.273SS..  trans-131.9122-179-71.1173-152.800108.7N80 Q267N80-E389 VanDerWaalsContact ND2-CD 3.32Å; N80-E389 PolarHBondContact ND2-OE1 3.15Å; Q267-E389 PolarHBondContact NE2-O 3.15Å; Q267-E389 PolarHBondContact OE1-O 2.75Å
390F91.6Very high81.8Confident22 Ų2250.4 Ų50.410%0.09627%0.273CS..PPolyproline II helixtrans-103124.8170.4-58.4-45.7000108.4L296 L299 R300 F303 L383 I388L296-F390 HydrophobicContact CD1-CE1 3.84Å; L296-F390 HydrophobicContact CD1-CZ 3.74Å; L296-F390 HydrophobicContact CG-CE1 4.33Å; L296-F390 HydrophobicContact CG-CZ 4.47Å; L299-F390 HydrophobicContact CB-CE2 3.83Å; L299-F390 HydrophobicContact CB-CZ 3.84Å; R300-F390 HydrophobicContact CB-CD1 4.05Å; R300-F390 HydrophobicContact CB-CE1 3.71Å; R300-F390 HydrophobicContact CB-CE2 4.32Å; R300-F390 HydrophobicContact CB-CZ 3.85Å; R300-F390 HydrophobicContact CG-CD1 4.02Å; R300-F390 HydrophobicContact CG-CE1 4.17Å; R300-F390 HydrophobicContact CG-CG 4.43Å; F303-F390 HydrophobicContact CB-CB 4.4Å; F303-F390 HydrophobicContact CB-CD2 3.84Å; F303-F390 HydrophobicContact CB-CG 4.46Å; F303-F390 HydrophobicContact CD1-CB 3.64Å; F303-F390 HydrophobicContact CD2-CB 4.31Å; F303-F390 HydrophobicContact CD2-CD2 4.44Å; F303-F390 HydrophobicContact CE1-CB 3.88Å; F303-F390 HydrophobicContact CG-CB 3.87Å; F303-F390 HydrophobicContact CG-CD2 4.07Å; F303-F390 HydrophobicContact CG-CG 4.41Å; F303-F390 HydrophobicContact CZ-CB 4.31Å; F303-F390 WeakPolarHBondContact CZ-O 3.29Å; L383-F390 HydrophobicContact CD1-CD2 3.64Å; L383-F390 HydrophobicContact CD1-CE2 3.49Å; L383-F390 VanDerWaalsContact CD1-CE2 3.49Å; L383-F390 HydrophobicContact CD2-CE2 4.27Å; I388-F390 HydrophobicContact CG2-CD1 4.39Å; I388-F390 HydrophobicContact CG2-CE1 3.75Å; I388-F390 HydrophobicContact CG2-CE2 4.1Å; I388-F390 HydrophobicContact CG2-CZ 3.59Å
391Q75.5Confident81.1Confident148 Ų14851.6 Ų51.669%0.69228%0.277SS*.PPolyproline II helixtrans-91.5133.4163.8-64.6176.9-8.400106.5A393Q391-A393 PolarHBondContact O-N 3.03Å
392T61Low80.7Confident62 Ų6253.5 Ų53.538%0.3829%0.287SS..PPolyproline II helixtrans-55.9131.7158.829.70000106.5F303 A307 G394F303-T392 HydrophobicContact CE1-CG2 3.86Å; A307-T392 HydrophobicContact CB-CG2 3.56Å; T392-G394 PolarHBondContact O-N 3.03Å; T392-G394 VanDerWaalsContact O-O 3.1Å
393A48.1Very low80.3Confident90 Ų9054.5 Ų54.574%0.74429%0.292SS*.SBendtrans-63.521-177.400000115.3Q391Q391-A393 PolarHBondContact O-N 3.03Å
394G48.6Very low79.9Confident23 Ų2355 Ų5524%0.23730%0.295CS..SBendtrans-89.5144.1164.500000109.7T392T392-G394 PolarHBondContact O-N 3.03Å; T392-G394 VanDerWaalsContact O-O 3.1Å
395L51.2Low79.6Confident20 Ų2059.9 Ų59.911%0.10532%0.315CS..  trans-41.4145161.6-71.4155.8000111E399 I400 L403 L426 I431 R444L395-E399 HydrophobicContact CB-CB 4.11Å; L395-E399 HydrophobicContact CD2-CB 3.6Å; L395-E399 HydrophobicContact CG-CB 4.41Å; L395-I400 HydrophobicContact CB-CB 4.5Å; L395-I400 HydrophobicContact CB-CD1 3.97Å; L395-I400 HydrophobicContact CB-CG1 3.28Å; L395-I400 HydrophobicContact CD1-CB 4.49Å; L395-I400 HydrophobicContact CD1-CG1 3.66Å; L395-I400 HydrophobicContact CG-CG1 4.16Å; L395-L403 HydrophobicContact CD1-CD1 3.61Å; L395-L403 HydrophobicContact CD2-CD1 3.89Å; L395-L403 HydrophobicContact CG-CD1 4.43Å; L395-L426 HydrophobicContact CD1-CD2 3.21Å; L395-L426 HydrophobicContact CD1-CG 4.4Å; L395-I431 HydrophobicContact CD1-CG1 4.35Å; L395-R444 PolarHBondContact O-NH2 3.4Å
396L61.7Low79.3Confident98 Ų9863.6 Ų63.651%0.51333%0.332SS..  trans-56145.9163.8-69.2163.5000108.6E398 E399 I400L396-E398 PolarHBondContact O-N 3.23Å; L396-E399 HydrophobicContact CB-CB 4.49Å; L396-E399 HydrophobicContact CB-CG 4.06Å; L396-E399 PolarHBondContact N-OE2 2.85Å; L396-E399 PolarHBondContact O-N 2.83Å; L396-I400 WeakPolarHBondContact O-CG1 3.33Å; L396-I400 PolarHBondContact O-N 2.77Å
397D70.2Confident79Confident84 Ų8463.7 Ų63.745%0.44933%0.333SS..Hα-helixtrans-50.6-36.8178.4-70.317.3000111.1I400 D401 W442 R444D397-I400 PolarHBondContact O-N 2.87Å; D397-D401 WeakPolarHBondContact O-CB 2.89Å; D397-D401 PolarHBondContact O-N 3.15Å; D397-W442 HydrophobicContact CB-CH2 4.26Å; D397-W442 HydrophobicContact CB-CZ2 3.94Å; D397-W442 VanDerWaalsContact OD1-CH2 3.29Å; D397-W442 WeakPolarHBondContact OD1-CH2 3.5Å; D397-R444 IonicContact OD1-CZ 3.76Å; D397-R444 VanDerWaalsContact OD1-CZ 3.29Å; D397-R444 IonicContact OD1-NH1 2.74Å; D397-R444 PolarHBondContact OD1-NH1 3.03Å; D397-R444 IonicContact OD1-NH2 3.16Å; D397-R444 PolarHBondContact OD1-NH2 3.34Å
398E72.7Confident78.7Confident147 Ų14766.3 Ų66.369%0.68735%0.347SS*.Hα-helixtrans-65.5-38.7175.8-65.3-179.9178.700114L396 D401 Q402L396-E398 PolarHBondContact O-N 3.23Å; E398-D401 PolarHBondContact O-N 3.47Å; E398-Q402 WeakPolarHBondContact O-CG 3.43Å; E398-Q402 PolarHBondContact O-N 3.37Å
399E76.5Confident78.4Confident87 Ų8770.2 Ų70.241%0.40737%0.365SS..Hα-helixtrans-73.4-35.7177.5-62173.4137.200110.9L395 L396 D401 L403L395-E399 HydrophobicContact CB-CB 4.11Å; L395-E399 HydrophobicContact CD2-CB 3.6Å; L395-E399 HydrophobicContact CG-CB 4.41Å; L396-E399 HydrophobicContact CB-CB 4.49Å; L396-E399 HydrophobicContact CB-CG 4.06Å; L396-E399 PolarHBondContact N-OE2 2.85Å; L396-E399 PolarHBondContact O-N 2.83Å; E399-D401 VanDerWaalsContact C-N 3.34Å; E399-L403 WeakPolarHBondContact O-CB 3.39Å; E399-L403 WeakPolarHBondContact O-CG 3.47Å; E399-L403 PolarHBondContact O-N 2.82Å
400I81.2Confident78.4Confident0 Ų066.7 Ų66.70%035%0.35CS..Hα-helixtrans-60.7-48170.4-59.5171.6000109.5L395 L396 D397 Q402 L403 I404 L426 I431 W442L395-I400 HydrophobicContact CB-CB 4.5Å; L395-I400 HydrophobicContact CB-CD1 3.97Å; L395-I400 HydrophobicContact CB-CG1 3.28Å; L395-I400 HydrophobicContact CD1-CB 4.49Å; L395-I400 HydrophobicContact CD1-CG1 3.66Å; L395-I400 HydrophobicContact CG-CG1 4.16Å; L396-I400 WeakPolarHBondContact O-CG1 3.33Å; L396-I400 PolarHBondContact O-N 2.77Å; D397-I400 PolarHBondContact O-N 2.87Å; I400-Q402 PolarHBondContact O-N 2.91Å; I400-L403 PolarHBondContact O-N 3.22Å; I400-I404 HydrophobicContact CG2-CD1 3.62Å; I400-I404 HydrophobicContact CG2-CG1 4.27Å; I400-I404 WeakPolarHBondContact O-CB 3.38Å; I400-I404 VanDerWaalsContact O-CG1 3.24Å; I400-I404 WeakPolarHBondContact O-CG1 3.42Å; I400-I404 PolarHBondContact O-N 3.01Å; I400-L426 HydrophobicContact CG1-CD2 4.44Å; I400-L426 HydrophobicContact CG2-CD2 4.09Å; I400-I431 HydrophobicContact CD1-CD1 3.5Å; I400-I431 HydrophobicContact CD1-CG1 3.86Å; I400-I431 HydrophobicContact CD1-CG2 4.35Å; I400-I431 HydrophobicContact CG1-CD1 4.37Å; I400-I431 HydrophobicContact CG1-CG1 4.2Å; I400-I431 HydrophobicContact CG2-CG2 4.01Å; I400-W442 HydrophobicContact CB-CD2 4.4Å; I400-W442 HydrophobicContact CB-CZ2 4.25Å; I400-W442 HydrophobicContact CD1-CD2 4.09Å; I400-W442 HydrophobicContact CD1-CE3 3.71Å; I400-W442 HydrophobicContact CD1-CH2 3.43Å; I400-W442 VanDerWaalsContact CD1-CH2 3.43Å; I400-W442 HydrophobicContact CD1-CZ2 3.78Å; I400-W442 HydrophobicContact CD1-CZ3 3.37Å; I400-W442 HydrophobicContact CG2-CB 4.33Å; I400-W442 HydrophobicContact CG2-CD2 3.53Å; I400-W442 HydrophobicContact CG2-CE3 4.15Å; I400-W442 HydrophobicContact CG2-CG 3.6Å; I400-W442 HydrophobicContact CG2-CZ2 4.23Å
401D84.3Confident78.3Confident83 Ų8369.8 Ų69.844%0.44436%0.361SS..Hα-helixtrans-64.6-39.6-178.5-74-16.1000111.8D397 E398 E399 I404 E405 W442D397-D401 WeakPolarHBondContact O-CB 2.89Å; D397-D401 PolarHBondContact O-N 3.15Å; E398-D401 PolarHBondContact O-N 3.47Å; E399-D401 VanDerWaalsContact C-N 3.34Å; D401-I404 PolarHBondContact O-N 3.07Å; D401-E405 WeakPolarHBondContact O-CB 3.38Å; D401-E405 PolarHBondContact O-N 3.07Å; D401-W442 PolarHBondContact OD1-NE1 3.42Å
402Q88.1Confident79Confident129 Ų12970.1 Ų70.160%0.60336%0.36SS*.Hα-helixtrans-62.9-46.1173-76.8177.62100112.4E398 I400 I404 E405 E406E398-Q402 WeakPolarHBondContact O-CG 3.43Å; E398-Q402 PolarHBondContact O-N 3.37Å; I400-Q402 PolarHBondContact O-N 2.91Å; Q402-I404 VanDerWaalsContact C-N 3.29Å; Q402-I404 PolarHBondContact O-N 3.48Å; Q402-E405 PolarHBondContact O-N 3.16Å; Q402-E406 PolarHBondContact O-N 2.72Å
403L90.8Very high80.6Confident20 Ų2072.3 Ų72.311%0.10537%0.369CS..Hα-helixtrans-63-37.6175.9-75.8170.3000111.2L395 E399 I400 E406 R407 I422 L426L395-L403 HydrophobicContact CD1-CD1 3.61Å; L395-L403 HydrophobicContact CD2-CD1 3.89Å; L395-L403 HydrophobicContact CG-CD1 4.43Å; E399-L403 WeakPolarHBondContact O-CB 3.39Å; E399-L403 WeakPolarHBondContact O-CG 3.47Å; E399-L403 PolarHBondContact O-N 2.82Å; I400-L403 PolarHBondContact O-N 3.22Å; L403-E406 PolarHBondContact O-N 3.11Å; L403-R407 WeakPolarHBondContact O-CB 3.31Å; L403-R407 PolarHBondContact O-N 3.01Å; L403-I422 HydrophobicContact CB-CG2 3.87Å; L403-I422 HydrophobicContact CD2-CG2 4.19Å; L403-I422 WeakPolarHBondContact O-CG2 3.46Å; L403-L426 HydrophobicContact CB-CD1 4.21Å; L403-L426 HydrophobicContact CB-CD2 4.39Å; L403-L426 HydrophobicContact CB-CG 4.47Å; L403-L426 HydrophobicContact CD1-CD2 4Å; L403-L426 HydrophobicContact CD1-CG 4.29Å
404I89.9Confident82.8Confident13 Ų1375.8 Ų75.87%0.06737%0.368CS..Hα-helixtrans-66.8-39.9174.8-71.9171.2000111.3I400 D401 Q402 R407 N408 L426 L433 V440 W442I400-I404 HydrophobicContact CG2-CD1 3.62Å; I400-I404 HydrophobicContact CG2-CG1 4.27Å; I400-I404 WeakPolarHBondContact O-CB 3.38Å; I400-I404 VanDerWaalsContact O-CG1 3.24Å; I400-I404 WeakPolarHBondContact O-CG1 3.42Å; I400-I404 PolarHBondContact O-N 3.01Å; D401-I404 PolarHBondContact O-N 3.07Å; Q402-I404 VanDerWaalsContact C-N 3.29Å; Q402-I404 PolarHBondContact O-N 3.48Å; I404-R407 PolarHBondContact O-N 3.19Å; I404-N408 WeakPolarHBondContact O-CB 3.34Å; I404-N408 PolarHBondContact O-N 3.41Å; I404-N408 PolarHBondContact O-ND2 3.26Å; I404-N408 VanDerWaalsContact O-ND2 3.13Å; I404-L426 HydrophobicContact CG1-CD1 4.36Å; I404-L433 HydrophobicContact CD1-CD2 3.66Å; I404-L433 HydrophobicContact CG1-CD2 3.81Å; I404-V440 HydrophobicContact CD1-CG1 4.35Å; I404-V440 HydrophobicContact CG1-CG1 4.47Å; I404-V440 HydrophobicContact CG2-CB 3.87Å; I404-V440 HydrophobicContact CG2-CG1 4.07Å; I404-V440 HydrophobicContact CG2-CG2 4.34Å; I404-W442 HydrophobicContact CD1-CB 3.93Å; I404-W442 HydrophobicContact CD1-CG 3.75Å
405E91.2Very high84.9Confident145 Ų14578.5 Ų78.568%0.67838%0.377SS*.Hα-helixtrans-63.3-46.9174.8-172170.1-162.700111.3D401 Q402 R407 N408 Q409D401-E405 WeakPolarHBondContact O-CB 3.38Å; D401-E405 PolarHBondContact O-N 3.07Å; Q402-E405 PolarHBondContact O-N 3.16Å; E405-R407 VanDerWaalsContact C-N 3.33Å; E405-R407 PolarHBondContact O-N 2.97Å; E405-N408 PolarHBondContact O-N 2.94Å; E405-Q409 PolarHBondContact O-N 2.9Å
406E93.5Very high86.8Confident80 Ų8083.3 Ų83.337%0.37440%0.397SS..Hα-helixtrans-59.2-44.3174.6-168.1-169.8160.900111.1Q402 L403 N408 Q409 A410 R418 I422Q402-E406 PolarHBondContact O-N 2.72Å; L403-E406 PolarHBondContact O-N 3.11Å; E406-N408 VanDerWaalsContact C-N 3.34Å; E406-N408 PolarHBondContact O-N 2.89Å; E406-Q409 PolarHBondContact O-N 3.38Å; E406-A410 WeakPolarHBondContact O-CB 3.29Å; E406-A410 PolarHBondContact O-N 3.2Å; E406-R418 VanDerWaalsContact CD-NH2 3.35Å; E406-R418 IonicContact OE1-CZ 3.59Å; E406-R418 IonicContact OE1-NE 3.37Å; E406-R418 PolarHBondContact OE1-NE 3.32Å; E406-R418 IonicContact OE1-NH2 2.63Å; E406-R418 PolarHBondContact OE1-NH2 2.89Å; E406-R418 IonicContact OE2-NH2 2.75Å; E406-R418 PolarHBondContact OE2-NH2 2.7Å; E406-I422 HydrophobicContact CB-CD1 3.97Å; E406-I422 HydrophobicContact CG-CD1 3.82Å
407R93.4Very high88.4Confident2 Ų281.6 Ų81.61%0.00840%0.397CS..Hα-helixtrans-60.3-43175.9-180-178174.5-95.610.5111.9L403 I404 E405 Q409 A410 R411 S419 I422 L433 D435L403-R407 WeakPolarHBondContact O-CB 3.31Å; L403-R407 PolarHBondContact O-N 3.01Å; I404-R407 PolarHBondContact O-N 3.19Å; E405-R407 VanDerWaalsContact C-N 3.33Å; E405-R407 PolarHBondContact O-N 2.97Å; R407-Q409 VanDerWaalsContact C-N 3.34Å; R407-A410 PolarHBondContact O-N 3.05Å; R407-R411 VanDerWaalsContact NH2-CZ 3.29Å; R407-R411 PolarHBondContact O-N 3.47Å; R407-S419 WeakPolarHBondContact CG-OG 3.39Å; R407-I422 HydrophobicContact CB-CB 4.26Å; R407-I422 HydrophobicContact CB-CD1 4.04Å; R407-I422 HydrophobicContact CB-CG2 3.94Å; R407-L433 VanDerWaalsContact CD-CD1 3.45Å; R407-D435 IonicContact CZ-OD1 3.14Å; R407-D435 IonicContact CZ-OD2 3.99Å; R407-D435 IonicContact NH1-OD1 3Å; R407-D435 PolarHBondContact NH1-OD1 3.34Å; R407-D435 IonicContact NH1-OD2 3.64Å; R407-D435 IonicContact NH2-OD1 3.94Å; R407-D435 PolarHBondContact NH2-OD1 3.26Å; R407-D435 VanDerWaalsContact NH2-OD1 3.13Å; R407-D435 IonicContact NH2-OD2 2.93Å; R407-D435 PolarHBondContact NH2-OD2 2.73Å
408N91.1Very high89.5Confident55 Ų5581.1 Ų81.129%0.29439%0.389SS..Hα-helixtrans-65.9-38177.5-74.2-31.5000111.6I404 E405 E406 R411 K412 V440I404-N408 WeakPolarHBondContact O-CB 3.34Å; I404-N408 PolarHBondContact O-N 3.41Å; I404-N408 PolarHBondContact O-ND2 3.26Å; I404-N408 VanDerWaalsContact O-ND2 3.13Å; E405-N408 PolarHBondContact O-N 2.94Å; E406-N408 VanDerWaalsContact C-N 3.34Å; E406-N408 PolarHBondContact O-N 2.89Å; N408-R411 PolarHBondContact O-N 3.13Å; N408-K412 WeakPolarHBondContact O-CG 3.31Å; N408-K412 PolarHBondContact O-N 2.94Å; N408-K412 VanDerWaalsContact O-N 3.12Å; N408-V440 WeakPolarHBondContact OD1-CG2 3.46Å
409Q92.7Very high90.4Very high83 Ų8374.2 Ų74.239%0.38836%0.357SS..Hα-helixtrans-67.9-45.5175.4-171.353.344.200111.5E405 E406 R407 R411 K412 D413E405-Q409 PolarHBondContact O-N 2.9Å; E406-Q409 PolarHBondContact O-N 3.38Å; R407-Q409 VanDerWaalsContact C-N 3.34Å; Q409-R411 VanDerWaalsContact C-N 3.25Å; Q409-R411 PolarHBondContact O-N 3.35Å; Q409-K412 WeakPolarHBondContact O-CB 3.49Å; Q409-K412 PolarHBondContact O-N 3.19Å; Q409-D413 VanDerWaalsContact NE2-CG 3.29Å; Q409-D413 PolarHBondContact NE2-OD1 3.09Å; Q409-D413 VanDerWaalsContact NE2-OD1 3.09Å; Q409-D413 PolarHBondContact NE2-OD2 2.91Å; Q409-D413 PolarHBondContact O-N 3.01Å
410A92.5Very high91.2Very high9 Ų973.1 Ų73.17%0.07435%0.354CS..Hα-helixtrans-54.9-39.8173.400000112.4E406 R407 D413 K414 N415 R418E406-A410 WeakPolarHBondContact O-CB 3.29Å; E406-A410 PolarHBondContact O-N 3.2Å; R407-A410 PolarHBondContact O-N 3.05Å; A410-D413 CarbonylContact O-C 3.54Å; A410-D413 PolarHBondContact O-N 3.45Å; A410-K414 PolarHBondContact O-N 2.94Å; A410-K414 VanDerWaalsContact O-N 3.15Å; A410-N415 HydrophobicContact CB-CB 4.34Å; A410-N415 WeakPolarHBondContact O-CA 3.44Å; A410-N415 PolarHBondContact O-N 2.97Å; A410-R418 HydrophobicContact CB-CB 4.07Å; A410-R418 HydrophobicContact CB-CG 4.11Å
411R90.2Very high91.7Very high88 Ų8878.3 Ų78.333%0.33238%0.378SS..Hα-helixtrans-65.9-41.9174-77178.8161.9-170.4-7113.3R407 N408 Q409 D413 K414 S419 D435R407-R411 VanDerWaalsContact NH2-CZ 3.29Å; R407-R411 PolarHBondContact O-N 3.47Å; N408-R411 PolarHBondContact O-N 3.13Å; Q409-R411 VanDerWaalsContact C-N 3.25Å; Q409-R411 PolarHBondContact O-N 3.35Å; R411-D413 VanDerWaalsContact C-N 3.26Å; R411-D413 PolarHBondContact O-N 3.12Å; R411-K414 PolarHBondContact O-N 3.17Å; R411-K414 VanDerWaalsContact O-N 3.13Å; R411-S419 WeakPolarHBondContact CG-OG 3.36Å; R411-S419 PolarHBondContact NE-OG 2.92Å; R411-D435 IonicContact CZ-OD1 3.18Å; R411-D435 IonicContact CZ-OD2 3.06Å; R411-D435 IonicContact NH1-OD1 2.76Å; R411-D435 PolarHBondContact NH1-OD1 3.18Å; R411-D435 IonicContact NH1-OD2 2.74Å; R411-D435 PolarHBondContact NH1-OD2 2.81Å; R411-D435 IonicContact NH2-OD1 3.22Å; R411-D435 IonicContact NH2-OD2 3.66Å; R411-D435 PolarHBondContact NH2-OD2 2.83Å
412K90.1Very high92.1Very high155 Ų15574.3 Ų74.367%0.67436%0.357SS*.Hα-helixtrans-60.1-40174.5-72.6174-174.4168.20111.3N408 Q409 K414N408-K412 WeakPolarHBondContact O-CG 3.31Å; N408-K412 PolarHBondContact O-N 2.94Å; N408-K412 VanDerWaalsContact O-N 3.12Å; Q409-K412 WeakPolarHBondContact O-CB 3.49Å; Q409-K412 PolarHBondContact O-N 3.19Å; K412-K414 PolarHBondContact O-N 2.88Å
413D94.7Very high92.2Very high108 Ų10872.8 Ų72.858%0.57835%0.346SS*.THydrogen-bonded Turntrans-80.72.9179.7-61.4-26.4000113.1Q409 A410 R411 N415Q409-D413 VanDerWaalsContact NE2-CG 3.29Å; Q409-D413 PolarHBondContact NE2-OD1 3.09Å; Q409-D413 VanDerWaalsContact NE2-OD1 3.09Å; Q409-D413 PolarHBondContact NE2-OD2 2.91Å; Q409-D413 PolarHBondContact O-N 3.01Å; A410-D413 CarbonylContact O-C 3.54Å; A410-D413 PolarHBondContact O-N 3.45Å; R411-D413 VanDerWaalsContact C-N 3.26Å; R411-D413 PolarHBondContact O-N 3.12Å; D413-N415 PolarHBondContact O-N 3.49Å
414K93.4Very high92.1Very high162 Ų16275.2 Ų75.270%0.70436%0.359SS*.THydrogen-bonded Turntrans58.223.2-175.8-56.3-179.4178.8178.70113.8A410 R411 K412 F416A410-K414 PolarHBondContact O-N 2.94Å; A410-K414 VanDerWaalsContact O-N 3.15Å; R411-K414 PolarHBondContact O-N 3.17Å; R411-K414 VanDerWaalsContact O-N 3.13Å; K412-K414 PolarHBondContact O-N 2.88Å; K414-F416 VanDerWaalsContact C-N 3.33Å; K414-F416 HydrophobicContact CB-CE2 3.93Å; K414-F416 HydrophobicContact CB-CZ 4.36Å; K414-F416 HydrophobicContact CG-CE2 4.49Å; K414-F416 VanDerWaalsContact O-CD2 3.29Å; K414-F416 WeakPolarHBondContact O-CD2 3.45Å; K414-F416 PolarHBondContact O-N 3.37Å; K414-F416 VanDerWaalsContact O-N 3.16Å
415N94.4Very high91.9Very high80 Ų8077.9 Ų77.943%0.42837%0.371SS..  trans-8574.8170.3-171-7.9000110.2A410 D413 A417 R418 S419A410-N415 HydrophobicContact CB-CB 4.34Å; A410-N415 WeakPolarHBondContact O-CA 3.44Å; A410-N415 PolarHBondContact O-N 2.97Å; D413-N415 PolarHBondContact O-N 3.49Å; N415-A417 VanDerWaalsContact C-N 3.29Å; N415-A417 PolarHBondContact O-N 3.04Å; N415-R418 HydrophobicContact CB-CB 4.46Å; N415-R418 PolarHBondContact O-N 3.41Å; N415-R418 PolarHBondContact OD1-N 2.9Å; N415-R418 VanDerWaalsContact OD1-N 3.17Å; N415-S419 PolarHBondContact O-N 2.79Å
416F91.4Very high91.8Very high121 Ų12171 Ų7153%0.53134%0.339SS..Hα-helixtrans-66.8-30.2-177.9-60.9-72.3000113K414 S419 D420K414-F416 VanDerWaalsContact C-N 3.33Å; K414-F416 HydrophobicContact CB-CE2 3.93Å; K414-F416 HydrophobicContact CB-CZ 4.36Å; K414-F416 HydrophobicContact CG-CE2 4.49Å; K414-F416 VanDerWaalsContact O-CD2 3.29Å; K414-F416 WeakPolarHBondContact O-CD2 3.45Å; K414-F416 PolarHBondContact O-N 3.37Å; K414-F416 VanDerWaalsContact O-N 3.16Å; F416-S419 PolarHBondContact O-N 2.9Å; F416-D420 PolarHBondContact O-N 2.84Å
417A93.7Very high91.2Very high63 Ų6374.3 Ų74.352%0.52135%0.352SS..Hα-helixtrans-59.5-49.8175.700000111.4N415 S419 D420 E421N415-A417 VanDerWaalsContact C-N 3.29Å; N415-A417 PolarHBondContact O-N 3.04Å; A417-S419 VanDerWaalsContact C-N 3.35Å; A417-S419 PolarHBondContact O-N 3.12Å; A417-D420 PolarHBondContact O-N 2.82Å; A417-E421 WeakPolarHBondContact O-CG 3.4Å; A417-E421 PolarHBondContact O-N 3.36Å
418R94.2Very high90.3Very high73 Ų7382.6 Ų82.628%0.27539%0.391SS..Hα-helixtrans-64.5-38.2176.7-175.859.1178.9156.97.7112.7E406 A410 N415 D420 E421 I422E406-R418 VanDerWaalsContact CD-NH2 3.35Å; E406-R418 IonicContact OE1-CZ 3.59Å; E406-R418 IonicContact OE1-NE 3.37Å; E406-R418 PolarHBondContact OE1-NE 3.32Å; E406-R418 IonicContact OE1-NH2 2.63Å; E406-R418 PolarHBondContact OE1-NH2 2.89Å; E406-R418 IonicContact OE2-NH2 2.75Å; E406-R418 PolarHBondContact OE2-NH2 2.7Å; A410-R418 HydrophobicContact CB-CB 4.07Å; A410-R418 HydrophobicContact CB-CG 4.11Å; N415-R418 HydrophobicContact CB-CB 4.46Å; N415-R418 PolarHBondContact O-N 3.41Å; N415-R418 PolarHBondContact OD1-N 2.9Å; N415-R418 VanDerWaalsContact OD1-N 3.17Å; R418-D420 VanDerWaalsContact C-N 3.28Å; R418-D420 PolarHBondContact O-N 3.05Å; R418-E421 WeakPolarHBondContact CD-OE2 3.44Å; R418-E421 IonicContact NH1-OE2 3.52Å; R418-E421 PolarHBondContact NH1-OE2 2.96Å; R418-E421 VanDerWaalsContact NH1-OE2 3.16Å; R418-E421 PolarHBondContact O-N 3.48Å; R418-I422 HydrophobicContact CG-CD1 4.1Å; R418-I422 WeakPolarHBondContact O-CG1 3.29Å; R418-I422 PolarHBondContact O-N 3.14Å; R418-I422 VanDerWaalsContact O-N 3.1Å
419S92.1Very high89.4Confident2 Ų283.2 Ų83.21%0.01439%0.392CS..Hα-helixtrans-62.7-34.9175.7175.20000112.8R407 R411 N415 F416 A417 R423R407-S419 WeakPolarHBondContact CG-OG 3.39Å; R411-S419 WeakPolarHBondContact CG-OG 3.36Å; R411-S419 PolarHBondContact NE-OG 2.92Å; N415-S419 PolarHBondContact O-N 2.79Å; F416-S419 PolarHBondContact O-N 2.9Å; A417-S419 VanDerWaalsContact C-N 3.35Å; A417-S419 PolarHBondContact O-N 3.12Å; S419-R423 PolarHBondContact O-N 2.8Å
420D91.7Very high88.5Confident65 Ų6580.5 Ų80.535%0.34839%0.386SS..Hα-helixtrans-77.4-41.1178-77.1-33.3000110.9F416 A417 R418 I422 R423 D424F416-D420 PolarHBondContact O-N 2.84Å; A417-D420 PolarHBondContact O-N 2.82Å; R418-D420 VanDerWaalsContact C-N 3.28Å; R418-D420 PolarHBondContact O-N 3.05Å; D420-I422 VanDerWaalsContact C-N 3.32Å; D420-I422 PolarHBondContact O-N 2.85Å; D420-R423 PolarHBondContact O-N 2.76Å; D420-R423 VanDerWaalsContact O-N 3.14Å; D420-R423 IonicContact OD1-CZ 3.92Å; D420-R423 IonicContact OD1-NH1 3.66Å; D420-R423 PolarHBondContact OD1-NH1 3.47Å; D420-R423 VanDerWaalsContact OD1-NH1 3.14Å; D420-R423 IonicContact OD1-NH2 2.65Å; D420-R423 PolarHBondContact OD1-NH2 2.82Å; D420-D424 VanDerWaalsContact O-CG 3.29Å; D420-D424 PolarHBondContact O-N 3.37Å
421E93Very high87.8Confident108 Ų10880.1 Ų80.151%0.50538%0.383SS..Hα-helixtrans-53.2-47.7172.4-76.4173.1-17100112.1A417 R418 R423 D424 Q425A417-E421 WeakPolarHBondContact O-CG 3.4Å; A417-E421 PolarHBondContact O-N 3.36Å; R418-E421 WeakPolarHBondContact CD-OE2 3.44Å; R418-E421 IonicContact NH1-OE2 3.52Å; R418-E421 PolarHBondContact NH1-OE2 2.96Å; R418-E421 VanDerWaalsContact NH1-OE2 3.16Å; R418-E421 PolarHBondContact O-N 3.48Å; E421-R423 PolarHBondContact O-N 2.73Å; E421-D424 PolarHBondContact O-N 3.22Å; E421-Q425 WeakPolarHBondContact O-CB 3.27Å; E421-Q425 PolarHBondContact O-N 3.31Å
422I92.6Very high87.2Confident0 Ų078.6 Ų78.60%038%0.381CS..Hα-helixtrans-65.8-39.8179.8-65.9164.3000111.2L403 E406 R407 R418 D420 D424 Q425 L426L403-I422 HydrophobicContact CB-CG2 3.87Å; L403-I422 HydrophobicContact CD2-CG2 4.19Å; L403-I422 WeakPolarHBondContact O-CG2 3.46Å; E406-I422 HydrophobicContact CB-CD1 3.97Å; E406-I422 HydrophobicContact CG-CD1 3.82Å; R407-I422 HydrophobicContact CB-CB 4.26Å; R407-I422 HydrophobicContact CB-CD1 4.04Å; R407-I422 HydrophobicContact CB-CG2 3.94Å; R418-I422 HydrophobicContact CG-CD1 4.1Å; R418-I422 WeakPolarHBondContact O-CG1 3.29Å; R418-I422 PolarHBondContact O-N 3.14Å; R418-I422 VanDerWaalsContact O-N 3.1Å; D420-I422 VanDerWaalsContact C-N 3.32Å; D420-I422 PolarHBondContact O-N 2.85Å; I422-D424 VanDerWaalsContact C-N 3.3Å; I422-D424 PolarHBondContact O-N 3.47Å; I422-Q425 PolarHBondContact O-N 3Å; I422-L426 HydrophobicContact CG2-CD1 3.72Å; I422-L426 HydrophobicContact CG2-CG 4.38Å; I422-L426 WeakPolarHBondContact O-CB 3.42Å; I422-L426 WeakPolarHBondContact O-CD1 3.31Å; I422-L426 VanDerWaalsContact O-CG 3.28Å; I422-L426 WeakPolarHBondContact O-CG 3.39Å; I422-L426 PolarHBondContact O-N 3.49Å
423R90.4Very high87.1Confident96 Ų9672.6 Ų72.636%0.36236%0.356SS..Hα-helixtrans-62.3-42.4176.7-176.4-168.567.8-147.3-11.7110.7S419 D420 E421 L426 K427 L433S419-R423 PolarHBondContact O-N 2.8Å; D420-R423 PolarHBondContact O-N 2.76Å; D420-R423 VanDerWaalsContact O-N 3.14Å; D420-R423 IonicContact OD1-CZ 3.92Å; D420-R423 IonicContact OD1-NH1 3.66Å; D420-R423 PolarHBondContact OD1-NH1 3.47Å; D420-R423 VanDerWaalsContact OD1-NH1 3.14Å; D420-R423 IonicContact OD1-NH2 2.65Å; D420-R423 PolarHBondContact OD1-NH2 2.82Å; E421-R423 PolarHBondContact O-N 2.73Å; R423-L426 PolarHBondContact O-N 2.65Å; R423-K427 WeakPolarHBondContact O-CB 3.31Å; R423-K427 PolarHBondContact O-N 3.01Å; R423-L433 HydrophobicContact CB-CD1 4.47Å; R423-L433 HydrophobicContact CG-CD1 4.35Å
424D88.7Confident86.4Confident72 Ų7272 Ų7239%0.38535%0.349SS..Hα-helixtrans-73.1-38.5-177-64.6-10.9000110.7D420 E421 I422 K427 E428D420-D424 VanDerWaalsContact O-CG 3.29Å; D420-D424 PolarHBondContact O-N 3.37Å; E421-D424 PolarHBondContact O-N 3.22Å; I422-D424 VanDerWaalsContact C-N 3.3Å; I422-D424 PolarHBondContact O-N 3.47Å; D424-K427 PolarHBondContact O-N 3.28Å; D424-E428 WeakPolarHBondContact O-CG 3.42Å; D424-E428 PolarHBondContact O-N 3.41Å
425Q85.9Confident85.8Confident69 Ų6968.1 Ų68.132%0.32234%0.337SS..Hα-helixtrans-57.2-49.1169.8179.9-177.1-4.100111.8E421 I422 K427 E428 Q429E421-Q425 WeakPolarHBondContact O-CB 3.27Å; E421-Q425 PolarHBondContact O-N 3.31Å; I422-Q425 PolarHBondContact O-N 3Å; Q425-K427 VanDerWaalsContact C-N 3.3Å; Q425-K427 PolarHBondContact O-N 3.17Å; Q425-E428 PolarHBondContact O-N 3.48Å; Q425-Q429 WeakPolarHBondContact O-CG 3.44Å; Q425-Q429 PolarHBondContact O-N 3.01Å; Q425-Q429 VanDerWaalsContact O-N 3.14Å
426L87.3Confident84.8Confident0 Ų066.2 Ų66.20%033%0.328CS..Hα-helixtrans-60.5-42.4177-78.5164.7000111L395 I400 L403 I404 I422 R423 Q429 G430 I431 L433L395-L426 HydrophobicContact CD1-CD2 3.21Å; L395-L426 HydrophobicContact CD1-CG 4.4Å; I400-L426 HydrophobicContact CG1-CD2 4.44Å; I400-L426 HydrophobicContact CG2-CD2 4.09Å; L403-L426 HydrophobicContact CB-CD1 4.21Å; L403-L426 HydrophobicContact CB-CD2 4.39Å; L403-L426 HydrophobicContact CB-CG 4.47Å; L403-L426 HydrophobicContact CD1-CD2 4Å; L403-L426 HydrophobicContact CD1-CG 4.29Å; I404-L426 HydrophobicContact CG1-CD1 4.36Å; I422-L426 HydrophobicContact CG2-CD1 3.72Å; I422-L426 HydrophobicContact CG2-CG 4.38Å; I422-L426 WeakPolarHBondContact O-CB 3.42Å; I422-L426 WeakPolarHBondContact O-CD1 3.31Å; I422-L426 VanDerWaalsContact O-CG 3.28Å; I422-L426 WeakPolarHBondContact O-CG 3.39Å; I422-L426 PolarHBondContact O-N 3.49Å; R423-L426 PolarHBondContact O-N 2.65Å; L426-Q429 CarbonylContact O-C 3.57Å; L426-Q429 PolarHBondContact O-N 2.93Å; L426-G430 PolarHBondContact O-N 2.85Å; L426-I431 CarbonylContact C-O 3.53Å; L426-I431 HydrophobicContact CB-CB 4.08Å; L426-I431 HydrophobicContact CB-CG2 4.45Å; L426-I431 HydrophobicContact CD2-CB 4Å; L426-I431 HydrophobicContact CD2-CG1 4.21Å; L426-I431 HydrophobicContact CD2-CG2 4.01Å; L426-I431 WeakPolarHBondContact O-CA 3.46Å; L426-I431 VanDerWaalsContact O-CB 3.31Å; L426-I431 WeakPolarHBondContact O-CB 3.33Å; L426-I431 PolarHBondContact O-N 3.27Å; L426-L433 HydrophobicContact CD1-CD1 3.7Å; L426-L433 HydrophobicContact CD1-CD2 4.02Å; L426-L433 HydrophobicContact CD1-CG 4.07Å
427K81.8Confident83.6Confident150 Ų15066.5 Ų66.565%0.65234%0.342SS*.Hα-helixtrans-66-39.5178.3-171.7-178.5177.6-173.10112.9R423 D424 Q425 Q429 G430 I431R423-K427 WeakPolarHBondContact O-CB 3.31Å; R423-K427 PolarHBondContact O-N 3.01Å; D424-K427 PolarHBondContact O-N 3.28Å; Q425-K427 VanDerWaalsContact C-N 3.3Å; Q425-K427 PolarHBondContact O-N 3.17Å; K427-Q429 PolarHBondContact O-N 3.42Å; K427-G430 PolarHBondContact O-N 3.21Å; K427-I431 WeakPolarHBondContact CA-O 3.27Å; K427-I431 PolarHBondContact N-O 2.61Å
428E73.6Confident82.3Confident175 Ų17570.9 Ų70.982%0.81835%0.352SS*.Hα-helixtrans-61.4-31.8173.4-78.4-179177.400112D424 Q425 G430D424-E428 WeakPolarHBondContact O-CG 3.42Å; D424-E428 PolarHBondContact O-N 3.41Å; Q425-E428 PolarHBondContact O-N 3.48Å; E428-G430 PolarHBondContact O-N 3.5Å
429Q73.6Confident81.3Confident69 Ų6969.1 Ų69.132%0.32236%0.356SS..THydrogen-bonded Turntrans-87.314.2175.4-65173.2-20.200113.1Q425 L426 K427 I431Q425-Q429 WeakPolarHBondContact O-CG 3.44Å; Q425-Q429 PolarHBondContact O-N 3.01Å; Q425-Q429 VanDerWaalsContact O-N 3.14Å; L426-Q429 CarbonylContact O-C 3.57Å; L426-Q429 PolarHBondContact O-N 2.93Å; K427-Q429 PolarHBondContact O-N 3.42Å; Q429-I431 PolarHBondContact O-N 3.37Å
430G72.3Confident80.7Confident25 Ų2570.4 Ų70.426%0.25836%0.363SS..THydrogen-bonded Turntrans71.225.4178.300000114L426 K427 E428 R444 A445L426-G430 PolarHBondContact O-N 2.85Å; K427-G430 PolarHBondContact O-N 3.21Å; E428-G430 PolarHBondContact O-N 3.5Å; G430-R444 CarbonylContact O-C 3.5Å; G430-R444 VanDerWaalsContact O-CA 3.32Å; G430-R444 WeakPolarHBondContact O-CA 3.38Å; G430-A445 VanDerWaalsContact O-CB 3.25Å; G430-A445 WeakPolarHBondContact O-CB 3.28Å; G430-A445 PolarHBondContact O-N 3.36Å
431I78.8Confident80Confident2 Ų274.6 Ų74.61%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-107.9122175.9-51.4-56.1000110.1L395 I400 L426 K427 Q429 L433 W442 R444L395-I431 HydrophobicContact CD1-CG1 4.35Å; I400-I431 HydrophobicContact CD1-CD1 3.5Å; I400-I431 HydrophobicContact CD1-CG1 3.86Å; I400-I431 HydrophobicContact CD1-CG2 4.35Å; I400-I431 HydrophobicContact CG1-CD1 4.37Å; I400-I431 HydrophobicContact CG1-CG1 4.2Å; I400-I431 HydrophobicContact CG2-CG2 4.01Å; L426-I431 CarbonylContact C-O 3.53Å; L426-I431 HydrophobicContact CB-CB 4.08Å; L426-I431 HydrophobicContact CB-CG2 4.45Å; L426-I431 HydrophobicContact CD2-CB 4Å; L426-I431 HydrophobicContact CD2-CG1 4.21Å; L426-I431 HydrophobicContact CD2-CG2 4.01Å; L426-I431 WeakPolarHBondContact O-CA 3.46Å; L426-I431 VanDerWaalsContact O-CB 3.31Å; L426-I431 WeakPolarHBondContact O-CB 3.33Å; L426-I431 PolarHBondContact O-N 3.27Å; K427-I431 WeakPolarHBondContact CA-O 3.27Å; K427-I431 PolarHBondContact N-O 2.61Å; Q429-I431 PolarHBondContact O-N 3.37Å; I431-L433 HydrophobicContact CG2-CD2 4.43Å; I431-W442 HydrophobicContact CD1-CE3 4.47Å; I431-W442 HydrophobicContact CD1-CZ3 4.43Å; I431-W442 HydrophobicContact CG2-CB 3.99Å; I431-W442 HydrophobicContact CG2-CD2 4.38Å; I431-W442 HydrophobicContact CG2-CE3 3.98Å; I431-W442 HydrophobicContact CG2-CG 4.44Å; I431-R444 HydrophobicContact CD1-CB 4.47Å; I431-R444 HydrophobicContact CD1-CG 3.67Å
432I78.5Confident79.5Confident56 Ų5672.4 Ų72.429%0.28736%0.362SS..EExtended strand (participates in β ladder)trans-101.9121.6178.5-61.8172.9000109.2W442 R443 A445I432-W442 VanDerWaalsContact O-CA 3.25Å; I432-W442 WeakPolarHBondContact O-CA 3.24Å; I432-R443 HydrophobicContact CB-CG 4.13Å; I432-R443 PolarHBondContact N-O 3.22Å; I432-R443 PolarHBondContact O-N 3.22Å; I432-A445 HydrophobicContact CD1-CB 3.81Å; I432-A445 HydrophobicContact CG1-CB 4.02Å
433L86.3Confident78.6Confident28 Ų2878 Ų7815%0.14738%0.383CS..EExtended strand (participates in β ladder)trans-90.9132.4175-60.9-173.7000112.1I404 R407 R423 L426 I431 V440 W442I404-L433 HydrophobicContact CD1-CD2 3.66Å; I404-L433 HydrophobicContact CG1-CD2 3.81Å; R407-L433 VanDerWaalsContact CD-CD1 3.45Å; R423-L433 HydrophobicContact CB-CD1 4.47Å; R423-L433 HydrophobicContact CG-CD1 4.35Å; L426-L433 HydrophobicContact CD1-CD1 3.7Å; L426-L433 HydrophobicContact CD1-CD2 4.02Å; L426-L433 HydrophobicContact CD1-CG 4.07Å; I431-L433 HydrophobicContact CG2-CD2 4.43Å; L433-V440 HydrophobicContact CB-CG1 4.25Å; L433-V440 HydrophobicContact CD1-CG1 4.48Å; L433-V440 HydrophobicContact CD2-CG1 4.03Å; L433-W442 HydrophobicContact CD2-CB 3.63Å
434E80.2Confident77.7Confident96 Ų9677.6 Ų77.645%0.44938%0.381SS..EExtended strand (participates in β ladder)trans-113.8110.6171.2-68.1-177-176.800110.1T436 V440 R441E434-T436 PolarHBondContact O-N 3.02Å; E434-V440 WeakPolarHBondContact O-CA 3.49Å; E434-R441 HydrophobicContact CB-CB 4.38Å; E434-R441 PolarHBondContact N-O 2.81Å; E434-R441 PolarHBondContact O-N 2.65Å
435D80.6Confident76.6Confident81 Ų8177.9 Ų77.943%0.43339%0.393SS..EExtended strand (participates in β ladder)trans-79111.6174.8-70-48.7000109.9R407 R411 V440R407-D435 IonicContact CZ-OD1 3.14Å; R407-D435 IonicContact CZ-OD2 3.99Å; R407-D435 IonicContact NH1-OD1 3Å; R407-D435 PolarHBondContact NH1-OD1 3.34Å; R407-D435 IonicContact NH1-OD2 3.64Å; R407-D435 IonicContact NH2-OD1 3.94Å; R407-D435 PolarHBondContact NH2-OD1 3.26Å; R407-D435 VanDerWaalsContact NH2-OD1 3.13Å; R407-D435 IonicContact NH2-OD2 2.93Å; R407-D435 PolarHBondContact NH2-OD2 2.73Å; R411-D435 IonicContact CZ-OD1 3.18Å; R411-D435 IonicContact CZ-OD2 3.06Å; R411-D435 IonicContact NH1-OD1 2.76Å; R411-D435 PolarHBondContact NH1-OD1 3.18Å; R411-D435 IonicContact NH1-OD2 2.74Å; R411-D435 PolarHBondContact NH1-OD2 2.81Å; R411-D435 IonicContact NH2-OD1 3.22Å; R411-D435 IonicContact NH2-OD2 3.66Å; R411-D435 PolarHBondContact NH2-OD2 2.83Å; D435-V440 WeakPolarHBondContact OD1-CG2 3.22Å
436T73.5Confident76.1Confident39 Ų3978.3 Ų78.324%0.23940%0.397CS..EExtended strand (participates in β ladder)trans-113.6160.4175.3790000111.4E434 Q438 G439E434-T436 PolarHBondContact O-N 3.02Å; T436-Q438 PolarHBondContact O-N 3.42Å; T436-Q438 VanDerWaalsContact O-N 3.11Å; T436-Q438 PolarHBondContact OG1-N 3.36Å; T436-G439 WeakPolarHBondContact CB-O 3.06Å; T436-G439 PolarHBondContact N-O 2.94Å; T436-G439 PolarHBondContact O-N 3.21Å; T436-G439 VanDerWaalsContact O-N 3.09Å; T436-G439 PolarHBondContact OG1-N 3.36Å; T436-G439 PolarHBondContact OG1-O 3.24Å
437P66.8Low75.5Confident128 Ų12882.4 Ų82.483%0.83142%0.418SS*.THydrogen-bonded Turntrans-60-19.5173.6-22.233.1000114.1
438Q66.3Low75.2Confident155 Ų15578.7 Ų78.772%0.72441%0.405SS*.THydrogen-bonded Turntrans-92.6-6.4179.5-63.176.732.200113.3T436T436-Q438 PolarHBondContact O-N 3.42Å; T436-Q438 VanDerWaalsContact O-N 3.11Å; T436-Q438 PolarHBondContact OG1-N 3.36Å
439G72.3Confident75.3Confident35 Ų3573 Ų7336%0.36138%0.38SS..EExtended strand (participates in β ladder)trans137.2172.2-175.300000112.7T436T436-G439 WeakPolarHBondContact CB-O 3.06Å; T436-G439 PolarHBondContact N-O 2.94Å; T436-G439 PolarHBondContact O-N 3.21Å; T436-G439 VanDerWaalsContact O-N 3.09Å; T436-G439 PolarHBondContact OG1-N 3.36Å; T436-G439 PolarHBondContact OG1-O 3.24Å
440V80.2Confident75.4Confident29 Ų2973.3 Ų73.318%0.17638%0.384CS..EExtended strand (participates in β ladder)trans-78126.4172.9-175.10000108.1I404 N408 L433 E434 D435I404-V440 HydrophobicContact CD1-CG1 4.35Å; I404-V440 HydrophobicContact CG1-CG1 4.47Å; I404-V440 HydrophobicContact CG2-CB 3.87Å; I404-V440 HydrophobicContact CG2-CG1 4.07Å; I404-V440 HydrophobicContact CG2-CG2 4.34Å; N408-V440 WeakPolarHBondContact OD1-CG2 3.46Å; L433-V440 HydrophobicContact CB-CG1 4.25Å; L433-V440 HydrophobicContact CD1-CG1 4.48Å; L433-V440 HydrophobicContact CD2-CG1 4.03Å; E434-V440 WeakPolarHBondContact O-CA 3.49Å; D435-V440 WeakPolarHBondContact OD1-CG2 3.22Å
441R77.5Confident75.6Confident154 Ų15476.5 Ų76.558%0.58139%0.393SS*.EExtended strand (participates in β ladder)trans-103.8154.5166.2-65.6-178.2-179.6-179.6-1.4108.6E434E434-R441 HydrophobicContact CB-CB 4.38Å; E434-R441 PolarHBondContact N-O 2.81Å; E434-R441 PolarHBondContact O-N 2.65Å
442W82.5Confident75.3Confident62 Ų6281.8 Ų81.824%0.23542%0.42CS..EExtended strand (participates in β ladder)trans-135.9154.2175.465.4-95.8000110.6D397 I400 D401 I404 I431 I432 L433 R444D397-W442 HydrophobicContact CB-CH2 4.26Å; D397-W442 HydrophobicContact CB-CZ2 3.94Å; D397-W442 VanDerWaalsContact OD1-CH2 3.29Å; D397-W442 WeakPolarHBondContact OD1-CH2 3.5Å; I400-W442 HydrophobicContact CB-CD2 4.4Å; I400-W442 HydrophobicContact CB-CZ2 4.25Å; I400-W442 HydrophobicContact CD1-CD2 4.09Å; I400-W442 HydrophobicContact CD1-CE3 3.71Å; I400-W442 HydrophobicContact CD1-CH2 3.43Å; I400-W442 VanDerWaalsContact CD1-CH2 3.43Å; I400-W442 HydrophobicContact CD1-CZ2 3.78Å; I400-W442 HydrophobicContact CD1-CZ3 3.37Å; I400-W442 HydrophobicContact CG2-CB 4.33Å; I400-W442 HydrophobicContact CG2-CD2 3.53Å; I400-W442 HydrophobicContact CG2-CE3 4.15Å; I400-W442 HydrophobicContact CG2-CG 3.6Å; I400-W442 HydrophobicContact CG2-CZ2 4.23Å; D401-W442 PolarHBondContact OD1-NE1 3.42Å; I404-W442 HydrophobicContact CD1-CB 3.93Å; I404-W442 HydrophobicContact CD1-CG 3.75Å; I431-W442 HydrophobicContact CD1-CE3 4.47Å; I431-W442 HydrophobicContact CD1-CZ3 4.43Å; I431-W442 HydrophobicContact CG2-CB 3.99Å; I431-W442 HydrophobicContact CG2-CD2 4.38Å; I431-W442 HydrophobicContact CG2-CE3 3.98Å; I431-W442 HydrophobicContact CG2-CG 4.44Å; I432-W442 VanDerWaalsContact O-CA 3.25Å; I432-W442 WeakPolarHBondContact O-CA 3.24Å; L433-W442 HydrophobicContact CD2-CB 3.63Å; W442-R444 HydrophobicContact CZ3-CG 4.07Å
443R73.7Confident75.1Confident117 Ų11783.8 Ų83.844%0.44243%0.43SS..EExtended strand (participates in β ladder)trans-141.1154.3171.165.9178.1-174.386.4-3.8110I432 A445I432-R443 HydrophobicContact CB-CG 4.13Å; I432-R443 PolarHBondContact N-O 3.22Å; I432-R443 PolarHBondContact O-N 3.22Å; R443-A445 PolarHBondContact NH1-OXT 3.03Å
444R72.2Confident74.2Confident87 Ų8788.4 Ų88.433%0.32845%0.454SS..EExtended strand (participates in β ladder)trans-70.9144.7167-60.5-176.3167.892.73108.8L395 D397 G430 I431 W442L395-R444 PolarHBondContact O-NH2 3.4Å; D397-R444 IonicContact OD1-CZ 3.76Å; D397-R444 VanDerWaalsContact OD1-CZ 3.29Å; D397-R444 IonicContact OD1-NH1 2.74Å; D397-R444 PolarHBondContact OD1-NH1 3.03Å; D397-R444 IonicContact OD1-NH2 3.16Å; D397-R444 PolarHBondContact OD1-NH2 3.34Å; G430-R444 CarbonylContact O-C 3.5Å; G430-R444 VanDerWaalsContact O-CA 3.32Å; G430-R444 WeakPolarHBondContact O-CA 3.38Å; I431-R444 HydrophobicContact CD1-CB 4.47Å; I431-R444 HydrophobicContact CD1-CG 3.67Å; W442-R444 HydrophobicContact CZ3-CG 4.07Å
445A64.2Low73.6Confident78 Ų7887.7 Ų87.765%0.64545%0.454SS*.  trans-770-167.100000112.5G430 I432 R443G430-A445 VanDerWaalsContact O-CB 3.25Å; G430-A445 WeakPolarHBondContact O-CB 3.28Å; G430-A445 PolarHBondContact O-N 3.36Å; I432-A445 HydrophobicContact CD1-CB 3.81Å; I432-A445 HydrophobicContact CG1-CB 4.02Å; R443-A445 PolarHBondContact NH1-OXT 3.03Å

Retrieved 445 of 445 residues in 315.6 ms (Link to these results)

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