A0A3Q0KK67_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4EJP3), UniProt , Accession A0A3Q0KK67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 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
1M36.1Very low42.6Very low242 Ų242163.9 Ų163.9100%1.19283%0.825SS**  0123.20-69.9177.4-169.300108.4R3M1-R3 PolarHBondContact O-N 3.46Å
2R38.7Very low44.2Very low247 Ų247161.6 Ų161.693%0.93283%0.833SS**  trans-62.5115.2-177.7-167.7169166141.1-6.3107.5Q4R2-Q4 PolarHBondContact O-N 3.43Å
3R43.5Very low46.6Very low237 Ų237154.5 Ų154.589%0.89480%0.796SS**  trans-57.1112.3177.2-72.1-178.3177.7177.1-1.2106.9M1 L5M1-R3 PolarHBondContact O-N 3.46Å; R3-L5 PolarHBondContact O-N 3.13Å
4Q38.9Very low48.8Very low167 Ų167147.1 Ų147.178%0.7877%0.765SS**  trans-50.5116.7167.7-86.1166.3-62.100106R2 D6R2-Q4 PolarHBondContact O-N 3.43Å; Q4-D6 PolarHBondContact O-N 3.04Å
5L43.3Very low51.1Low168 Ų168148.4 Ų148.488%0.8877%0.766SS**  trans-6481.2153.9-86.8133.1000104.3R3 G7R3-L5 PolarHBondContact O-N 3.13Å; L5-G7 PolarHBondContact O-N 2.62Å; L5-G7 VanDerWaalsContact O-N 3.11Å
6D38.9Very low53.3Low123 Ų123152.6 Ų152.666%0.65877%0.769SS**  trans-50.8121.7161.3-88.7-49.2000105.3Q4 F8Q4-D6 PolarHBondContact O-N 3.04Å; D6-F8 PolarHBondContact O-N 3.27Å
7G37.2Very low55Low65 Ų65150.3 Ų150.367%0.6776%0.755SS**  trans-47.2110.6-178.300000107.1L5 D9L5-G7 PolarHBondContact O-N 2.62Å; L5-G7 VanDerWaalsContact O-N 3.11Å; G7-D9 PolarHBondContact O-N 3.39Å
8F44.9Very low56.6Low193 Ų193148.6 Ų148.685%0.84674%0.739SS**  trans-61.395.3156.4-90.6-90.6000103.5D6 S10D6-F8 PolarHBondContact O-N 3.27Å; F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 3.25Å
9D44.2Very low58.2Low148 Ų148145.3 Ų145.379%0.79173%0.728SS**  trans-30.1105.4152-77.8-54000104.9G7 P11G7-D9 PolarHBondContact O-N 3.39Å; D9-P11 VanDerWaalsContact C-N 3.32Å; D9-P11 WeakPolarHBondContact O-CD 3.17Å
10S48.8Very low59.8Low106 Ų106146.2 Ų146.274%0.74173%0.727SS**  trans-59.2109.4172.3-71.10000102.7F8 C12F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 3.25Å; S10-C12 PolarHBondContact O-N 3.41Å; S10-C12 VanDerWaalsContact O-N 3.09Å
11P54.6Low61.1Low107 Ų107142.9 Ų142.970%0.69571%0.711SS**  trans-54.2132.4176.623.3-31.2000104.5D9 I13D9-P11 VanDerWaalsContact C-N 3.32Å; D9-P11 WeakPolarHBondContact O-CD 3.17Å; P11-I13 PolarHBondContact O-N 2.67Å
12C61.6Low63.6Low136 Ų136135 Ų13592%0.91967%0.672SS**  trans-59.581.1174.2-51.80000106.5S10 S14S10-C12 PolarHBondContact O-N 3.41Å; S10-C12 VanDerWaalsContact O-N 3.09Å; C12-S14 PolarHBondContact O-N 3.04Å
13I74.8Confident66.1Low69 Ų69130.6 Ų130.635%0.35466%0.656SS.*  trans-67.3132.2-177.8-177.1166.2000104.6P11 E15 E17 Y18 L21P11-I13 PolarHBondContact O-N 2.67Å; I13-E15 PolarHBondContact O-N 3.48Å; I13-E17 HydrophobicContact CD1-CB 3.69Å; I13-E17 HydrophobicContact CG1-CB 3.32Å; I13-Y18 HydrophobicContact CG2-CD2 4.1Å; I13-Y18 HydrophobicContact CG2-CG 4.48Å; I13-L21 HydrophobicContact CD1-CD2 4.33Å
14S77.9Confident68.2Low52 Ų52121 Ų12136%0.36463%0.631SS.*  trans-56.4144.5175.664.80000108.6C12 R16 E17 Y18C12-S14 PolarHBondContact O-N 3.04Å; S14-R16 PolarHBondContact O-N 3.18Å; S14-E17 PolarHBondContact N-OE2 2.9Å; S14-E17 PolarHBondContact O-N 3.38Å; S14-E17 WeakPolarHBondContact OG-CB 3.4Å; S14-E17 VanDerWaalsContact OG-CD 3.28Å; S14-E17 WeakPolarHBondContact OG-CG 3.5Å; S14-E17 PolarHBondContact OG-N 3.36Å; S14-E17 PolarHBondContact OG-OE2 3.16Å; S14-Y18 PolarHBondContact O-N 2.99Å
15E83.9Confident70.6Confident166 Ų166119.2 Ų119.278%0.77662%0.617SS**Hα-helixtrans-49.6-37.9178.3-175.3-177.2176.300111.1I13 Y18 V19I13-E15 PolarHBondContact O-N 3.48Å; E15-Y18 WeakPolarHBondContact O-CB 3.43Å; E15-Y18 PolarHBondContact O-N 2.64Å; E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.19Å; E15-V19 PolarHBondContact O-N 2.99Å
16R85Confident72.9Confident216 Ų216117.1 Ų117.182%0.81560%0.601SS**Hα-helixtrans-61.4-47.1175.6-170179.9-163.6-174.15.6113.5S14 Y18 V19 K20S14-R16 PolarHBondContact O-N 3.18Å; R16-Y18 VanDerWaalsContact C-N 3.33Å; R16-V19 PolarHBondContact O-N 2.86Å; R16-K20 PolarHBondContact O-N 2.75Å
17E83Confident75.2Confident113 Ų113115.5 Ų115.553%0.52859%0.591SS.*Hα-helixtrans-69.6-34.5178.4-75.1168.514300111.3I13 S14 K20 L21I13-E17 HydrophobicContact CD1-CB 3.69Å; I13-E17 HydrophobicContact CG1-CB 3.32Å; S14-E17 PolarHBondContact N-OE2 2.9Å; S14-E17 PolarHBondContact O-N 3.38Å; S14-E17 WeakPolarHBondContact OG-CB 3.4Å; S14-E17 VanDerWaalsContact OG-CD 3.28Å; S14-E17 WeakPolarHBondContact OG-CG 3.5Å; S14-E17 PolarHBondContact OG-N 3.36Å; S14-E17 PolarHBondContact OG-OE2 3.16Å; E17-K20 PolarHBondContact O-N 2.85Å; E17-L21 WeakPolarHBondContact O-CB 3.42Å; E17-L21 PolarHBondContact O-N 3.45Å
18Y83.8Confident77.5Confident119 Ų119114.2 Ų114.247%0.46757%0.574SS.*Hα-helixtrans-61.7-48.8173.4-178.2-100.3000111I13 S14 E15 R16 K20 L21 Q22I13-Y18 HydrophobicContact CG2-CD2 4.1Å; I13-Y18 HydrophobicContact CG2-CG 4.48Å; S14-Y18 PolarHBondContact O-N 2.99Å; E15-Y18 WeakPolarHBondContact O-CB 3.43Å; E15-Y18 PolarHBondContact O-N 2.64Å; R16-Y18 VanDerWaalsContact C-N 3.33Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 2.75Å; Y18-L21 PolarHBondContact O-N 3.03Å; Y18-Q22 HydrophobicContact CD1-CG 4.09Å; Y18-Q22 HydrophobicContact CE1-CG 3.71Å; Y18-Q22 HydrophobicContact CE2-CG 4.22Å; Y18-Q22 VanDerWaalsContact CZ-NE2 3.33Å; Y18-Q22 WeakPolarHBondContact O-CG 3.34Å; Y18-Q22 PolarHBondContact O-N 3.38Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å
19V86.5Confident79.6Confident86 Ų86111.3 Ų111.352%0.52156%0.563SS.*Hα-helixtrans-59.1-43.7176.6171.40000111.1E15 R16 L21 Q22 Y23E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.19Å; E15-V19 PolarHBondContact O-N 2.99Å; R16-V19 PolarHBondContact O-N 2.86Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.39Å; V19-Q22 PolarHBondContact O-N 2.77Å; V19-Y23 WeakPolarHBondContact O-CB 3.4Å; V19-Y23 PolarHBondContact O-N 3.13Å
20K90.5Very high81.6Confident163 Ų163107.9 Ų107.971%0.70955%0.545SS*.Hα-helixtrans-62.4-41.7176.7-172.6-179.8178.8-175.60112R16 E17 Y18 Y23 G24R16-K20 PolarHBondContact O-N 2.75Å; E17-K20 PolarHBondContact O-N 2.85Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 2.75Å; K20-Y23 PolarHBondContact O-N 3.2Å; K20-G24 PolarHBondContact O-N 3.14Å
21L86.4Confident83.1Confident78 Ų78105.6 Ų105.641%0.40853%0.532SS..Hα-helixtrans-65.6-43.6178-172.468.9000111.4I13 E17 Y18 V19 G24 R25I13-L21 HydrophobicContact CD1-CD2 4.33Å; E17-L21 WeakPolarHBondContact O-CB 3.42Å; E17-L21 PolarHBondContact O-N 3.45Å; Y18-L21 PolarHBondContact O-N 3.03Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.39Å; L21-G24 PolarHBondContact O-N 2.62Å; L21-R25 WeakPolarHBondContact O-CG 3.2Å; L21-R25 PolarHBondContact O-N 3.17Å
22Q89.3Confident84.5Confident77 Ų77102.6 Ų102.636%0.3651%0.513SS..Hα-helixtrans-63.2-42.3175.9-68.3-59.2-24.100111.7Y18 V19 R25 K26Y18-Q22 HydrophobicContact CD1-CG 4.09Å; Y18-Q22 HydrophobicContact CE1-CG 3.71Å; Y18-Q22 HydrophobicContact CE2-CG 4.22Å; Y18-Q22 VanDerWaalsContact CZ-NE2 3.33Å; Y18-Q22 WeakPolarHBondContact O-CG 3.34Å; Y18-Q22 PolarHBondContact O-N 3.38Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å; V19-Q22 PolarHBondContact O-N 2.77Å; Q22-R25 PolarHBondContact O-N 2.84Å; Q22-K26 PolarHBondContact O-N 3.42Å
23Y90.7Very high85.5Confident154 Ų154101.1 Ų101.160%0.60450%0.496SS*.Hα-helixtrans-62.9-43.8175.6-171.5-106.1000112.1V19 K20 R25 K26 I27V19-Y23 WeakPolarHBondContact O-CB 3.4Å; V19-Y23 PolarHBondContact O-N 3.13Å; K20-Y23 PolarHBondContact O-N 3.2Å; Y23-R25 PolarHBondContact O-N 2.8Å; Y23-K26 PolarHBondContact O-N 3.17Å; Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.29Å; Y23-I27 HydrophobicContact CE1-CG1 4.23Å; Y23-I27 PolarHBondContact O-N 3.18Å
24G89.2Confident85.5Confident35 Ų35103.3 Ų103.336%0.36151%0.507SS..Hα-helixtrans-61.7-41.6175.400000113K20 L21 K26 I27 A28K20-G24 PolarHBondContact O-N 3.14Å; L21-G24 PolarHBondContact O-N 2.62Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 3.09Å; G24-I27 PolarHBondContact O-N 2.74Å; G24-A28 PolarHBondContact O-N 2.77Å; G24-A28 VanDerWaalsContact O-N 3.1Å
25R88.7Confident85.3Confident130 Ų130104.9 Ų104.949%0.49152%0.524SS..Hα-helixtrans-61.2-42.6174.2-76.2-178.6-179-144.91.3111.9L21 Q22 Y23 A28 Q29L21-R25 WeakPolarHBondContact O-CG 3.2Å; L21-R25 PolarHBondContact O-N 3.17Å; Q22-R25 PolarHBondContact O-N 2.84Å; Y23-R25 PolarHBondContact O-N 2.8Å; R25-A28 PolarHBondContact O-N 3.11Å; R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 3.12Å
26K92.1Very high84.8Confident124 Ų124102 Ų10254%0.53952%0.517SS..Hα-helixtrans-61.5-46.6177.5-172.5179.4178.8-174.20112Q22 Y23 G24 A28 Q29 D30Q22-K26 PolarHBondContact O-N 3.42Å; Y23-K26 PolarHBondContact O-N 3.17Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 3.09Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.07Å; K26-Q29 PolarHBondContact O-N 3.37Å; K26-D30 PolarHBondContact O-N 2.86Å
27I87.1Confident84.2Confident88 Ų8897 Ų9745%0.45151%0.505SS..Hα-helixtrans-59.4-43.9177.1-68169.3000111.3Y23 G24 Q29 D30 A31Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.29Å; Y23-I27 HydrophobicContact CE1-CG1 4.23Å; Y23-I27 PolarHBondContact O-N 3.18Å; G24-I27 PolarHBondContact O-N 2.74Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.28Å; I27-D30 PolarHBondContact O-N 2.99Å; I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.24Å; I27-A31 PolarHBondContact O-N 3.2Å
28A84.9Confident83.7Confident38 Ų3899.3 Ų99.331%0.31451%0.513SS..Hα-helixtrans-64.3-39.5179.400000112.1G24 R25 K26 C32G24-A28 PolarHBondContact O-N 2.77Å; G24-A28 VanDerWaalsContact O-N 3.1Å; R25-A28 PolarHBondContact O-N 3.11Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.07Å; A28-C32 WeakPolarHBondContact O-CB 3.37Å; A28-C32 PolarHBondContact O-N 3.45Å
29Q88.4Confident83Confident133 Ų13398.8 Ų98.862%0.62152%0.522SS*.Hα-helixtrans-64.9-47.2175.2-74.2174.1-18.800111.8R25 K26 I27 A31 C32 L33R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 3.12Å; K26-Q29 PolarHBondContact O-N 3.37Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.28Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.47Å; Q29-C32 PolarHBondContact O-N 3.17Å; Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 3.2Å
30D86.2Confident82Confident76 Ų7698.6 Ų98.641%0.40652%0.523SS..Hα-helixtrans-62.4-41.5178.8-69.4-14.5000111K26 I27 L33 L34K26-D30 PolarHBondContact O-N 2.86Å; I27-D30 PolarHBondContact O-N 2.99Å; D30-L33 PolarHBondContact O-N 3.25Å; D30-L34 VanDerWaalsContact O-CD1 3.24Å; D30-L34 WeakPolarHBondContact O-CD1 3.12Å; D30-L34 PolarHBondContact O-N 3.38Å
31A81Confident80.8Confident57 Ų5796.7 Ų96.747%0.47152%0.521SS..Hα-helixtrans-65.3-39.9176.700000112.6I27 Q29 L34 A35I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.24Å; I27-A31 PolarHBondContact O-N 3.2Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.47Å; A31-L34 PolarHBondContact O-N 3.36Å; A31-A35 WeakPolarHBondContact O-CB 3.34Å; A31-A35 PolarHBondContact O-N 3.33Å
32C83.7Confident79.4Confident44 Ų44101.8 Ų101.830%0.29754%0.535SS..Hα-helixtrans-65.1-43.7174.7-173.90000111.2A28 Q29 L34 A35 T36 C201A28-C32 WeakPolarHBondContact O-CB 3.37Å; A28-C32 PolarHBondContact O-N 3.45Å; Q29-C32 PolarHBondContact O-N 3.17Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.16Å; C32-A35 PolarHBondContact O-N 2.96Å; C32-A35 VanDerWaalsContact O-N 3.17Å; C32-T36 WeakPolarHBondContact O-CG2 3.45Å; C32-T36 PolarHBondContact O-N 2.75Å; C32-T36 PolarHBondContact O-OG1 3.42Å; C32-C201 VanDerWaalsContact SG-SG 3.66Å
33L82.4Confident77.6Confident106 Ų106103.3 Ų103.356%0.55555%0.554SS**Hα-helixtrans-59.9-45.4174.8-175.865.8000111.1Q29 D30 A35 T36 M37Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 3.2Å; D30-L33 PolarHBondContact O-N 3.25Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 3.18Å; L33-T36 WeakPolarHBondContact CA-OG1 3.43Å; L33-T36 PolarHBondContact O-N 3.04Å; L33-T36 PolarHBondContact O-OG1 2.89Å; L33-M37 WeakPolarHBondContact O-CG 3.41Å; L33-M37 PolarHBondContact O-N 3.39Å; L33-M37 VanDerWaalsContact O-N 3.12Å
34L75.9Confident75.6Confident114 Ų114105.1 Ų105.160%0.59757%0.567SS**Hα-helixtrans-60.1-39.9175-99.378.1000112.7D30 A31 C32 T36 M37D30-L34 VanDerWaalsContact O-CD1 3.24Å; D30-L34 WeakPolarHBondContact O-CD1 3.12Å; D30-L34 PolarHBondContact O-N 3.38Å; A31-L34 PolarHBondContact O-N 3.36Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.16Å; L34-T36 VanDerWaalsContact C-N 3.3Å; L34-T36 PolarHBondContact O-N 2.98Å; L34-M37 HydrophobicContact CB-CE 4.33Å; L34-M37 HydrophobicContact CD1-CE 4.09Å; L34-M37 HydrophobicContact CG-CE 3.71Å; L34-M37 PolarHBondContact O-N 3.36Å
35A72.3Confident73.2Confident86 Ų86106.2 Ų106.271%0.71158%0.578SS**Hα-helixtrans-69.4-27.2178.800000113.1A31 C32 L33A31-A35 WeakPolarHBondContact O-CB 3.34Å; A31-A35 PolarHBondContact O-N 3.33Å; C32-A35 PolarHBondContact O-N 2.96Å; C32-A35 VanDerWaalsContact O-N 3.17Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 3.18Å
36T74.3Confident70.9Confident104 Ų104104.7 Ų104.764%0.63859%0.587SS**Hα-helixtrans-85.6-15.2176.557.30000113.4C32 L33 L34C32-T36 WeakPolarHBondContact O-CG2 3.45Å; C32-T36 PolarHBondContact O-N 2.75Å; C32-T36 PolarHBondContact O-OG1 3.42Å; L33-T36 WeakPolarHBondContact CA-OG1 3.43Å; L33-T36 PolarHBondContact O-N 3.04Å; L33-T36 PolarHBondContact O-OG1 2.89Å; L34-T36 VanDerWaalsContact C-N 3.3Å; L34-T36 PolarHBondContact O-N 2.98Å
37M72Confident68.8Low113 Ų113105.3 Ų105.356%0.55760%0.604SS**SBendtrans-65.6138172.3-71-162.1-69.100110.4L33 L34 T39L33-M37 WeakPolarHBondContact O-CG 3.41Å; L33-M37 PolarHBondContact O-N 3.39Å; L33-M37 VanDerWaalsContact O-N 3.12Å; L34-M37 HydrophobicContact CB-CE 4.33Å; L34-M37 HydrophobicContact CD1-CE 4.09Å; L34-M37 HydrophobicContact CG-CE 3.71Å; L34-M37 PolarHBondContact O-N 3.36Å; M37-T39 PolarHBondContact O-N 3.28Å; M37-T39 VanDerWaalsContact O-N 3.11Å
38K72.8Confident66.6Low160 Ų160103.8 Ų103.870%0.69661%0.605SS**PPolyproline II helixtrans-57.8120.3173.4-174.7175.6175.8-173.50108.4D41K38-D41 WeakPolarHBondContact CE-OD2 3.38Å; K38-D41 IonicContact NZ-OD2 2.75Å; K38-D41 PolarHBondContact NZ-OD2 2.89Å
39T68.2Low64.2Low108 Ų108111 Ų11166%0.66363%0.63SS**PPolyproline II helixtrans-57.6129.3169.650.70000107.7M37 D41M37-T39 PolarHBondContact O-N 3.28Å; M37-T39 VanDerWaalsContact O-N 3.11Å; T39-D41 PolarHBondContact O-N 2.95Å
40P66Low62.1Low82 Ų82112.1 Ų112.153%0.53264%0.638SS.*PPolyproline II helixtrans-53.8129176.419.2-29.7000108.9W42P40-W42 HydrophobicContact CG-CZ2 4.05Å; P40-W42 PolarHBondContact O-N 2.79Å
41D64.8Low59.6Low124 Ų124109.8 Ų109.866%0.66363%0.632SS**  trans-68.682.4171-66.6-41.1000106.4K38 T39 S43K38-D41 WeakPolarHBondContact CE-OD2 3.38Å; K38-D41 IonicContact NZ-OD2 2.75Å; K38-D41 PolarHBondContact NZ-OD2 2.89Å; T39-D41 PolarHBondContact O-N 2.95Å; D41-S43 PolarHBondContact O-N 3.36Å
42W56.6Low57.8Low185 Ų185116.8 Ų116.870%0.70165%0.652SS**  trans-63.199.2164.3-59105.3000104.9P40 H44P40-W42 HydrophobicContact CG-CZ2 4.05Å; P40-W42 PolarHBondContact O-N 2.79Å; W42-H44 PolarHBondContact O-N 2.9Å
43S52.2Low55.7Low109 Ų109122 Ų12276%0.76267%0.671SS**  trans-46.7120.8166.455.40000105.8D41 G45D41-S43 PolarHBondContact O-N 3.36Å; S43-G45 PolarHBondContact O-N 3.01Å
44H48.3Very low53.4Low192 Ų192124.1 Ų124.189%0.88968%0.683SS**  trans-65.264.2173.9-66.7-71.4000108.8W42 S46W42-H44 PolarHBondContact O-N 2.9Å; H44-S46 PolarHBondContact O-N 3.26Å; H44-S46 VanDerWaalsContact O-N 3.16Å
45G39Very low51.7Low57 Ų57125.6 Ų125.659%0.58869%0.69SS**  trans-61.9115.6164.500000105.5S43S43-G45 PolarHBondContact O-N 3.01Å
46S41Very low49.9Very low98 Ų98127 Ų12769%0.68569%0.69SS**  trans-42.5128.5177.1-59.20000109.9H44 A48H44-S46 PolarHBondContact O-N 3.26Å; H44-S46 VanDerWaalsContact O-N 3.16Å; S46-A48 PolarHBondContact O-N 3.44Å
47P47.6Very low48.3Very low138 Ų138125.7 Ų125.790%0.89668%0.683SS**THydrogen-bonded Turntrans-69.118.2-171.226-34.1000115
48A41Very low46.7Very low55 Ų55125 Ų12546%0.45569%0.689SS.*THydrogen-bonded Turntrans-99-9.6-174.300000114.7S46 L83S46-A48 PolarHBondContact O-N 3.44Å; A48-L83 HydrophobicContact CB-CD1 4.49Å
49F34.7Very low45.1Very low191 Ų191121.9 Ų121.984%0.83868%0.683SS**  trans-135.4102.9171.4-80.2-91.6000109G51F49-G51 PolarHBondContact O-N 2.93Å
50I43.1Very low43.8Very low156 Ų156122.1 Ų122.180%0.868%0.684SS**  trans-68.170151.9-57.2163000105.1K52I50-K52 PolarHBondContact O-N 3.31Å
51G34.5Very low42.8Very low27 Ų27123.5 Ų123.528%0.27869%0.691SS.*  trans-53133.4153.400000105F49 H53F49-G51 PolarHBondContact O-N 2.93Å; G51-H53 VanDerWaalsContact C-CD2 3.46Å; G51-H53 PolarHBondContact O-CD2 3Å; G51-H53 PolarHBondContact O-N 3.19Å
52K42.9Very low41.9Very low204 Ų204122.7 Ų122.789%0.88769%0.691SS**SBendtrans-6070.9177.6-63.1170.9177.4179.40109.3I50I50-K52 PolarHBondContact O-N 3.31Å
53H39.5Very low41Very low152 Ų152121.5 Ų121.570%0.70470%0.698SS**  trans-118.784.5-178.9-61.9-61.1000105.2G51 I55G51-H53 VanDerWaalsContact C-CD2 3.46Å; G51-H53 PolarHBondContact O-CD2 3Å; G51-H53 PolarHBondContact O-N 3.19Å; H53-I55 VanDerWaalsContact C-N 3.3Å; H53-I55 PolarHBondContact O-N 2.99Å
54N34Very low40.6Very low152 Ų152119.3 Ų119.381%0.81368%0.683SS**  trans27.764.5148.4-61.3-22.5000113.8V56N54-V56 PolarHBondContact O-N 3.2Å
55I40.3Very low40.6Very low144 Ų144113.9 Ų113.974%0.73868%0.679SS**  trans-69.383.5159.3-58.9163.6000103.5H53 P57H53-I55 VanDerWaalsContact C-N 3.3Å; H53-I55 PolarHBondContact O-N 2.99Å; I55-P57 WeakPolarHBondContact O-CD 3.36Å; I55-P57 VanDerWaalsContact O-N 3.15Å
56V35.9Very low41Very low116 Ų116118.4 Ų118.470%0.70369%0.689SS**  trans-65.5112165.2-178.10000103.7N54 C58N54-V56 PolarHBondContact O-N 3.2Å; V56-C58 PolarHBondContact O-N 3.11Å
57P40.6Very low41.3Very low76 Ų76116.4 Ų116.449%0.49468%0.676SS.*  trans-57.4127.9-17823.2-31.9000108.1I55 T59I55-P57 WeakPolarHBondContact O-CD 3.36Å; I55-P57 VanDerWaalsContact O-N 3.15Å; P57-T59 PolarHBondContact O-N 3.48Å
58C37.8Very low41.1Very low100 Ų100116.2 Ų116.268%0.67667%0.672SS**  trans-64.890171.1-64.70000108.2V56 V60V56-C58 PolarHBondContact O-N 3.11Å; C58-V60 PolarHBondContact O-N 3.1Å
59T39.8Very low41.1Very low93 Ų93120 Ų12057%0.57168%0.684SS**  trans-74107.8165.4390000107.4P57 T61P57-T59 PolarHBondContact O-N 3.48Å; T59-T61 VanDerWaalsContact C-N 3.26Å; T59-T61 PolarHBondContact O-N 3.12Å
60V39.8Very low41.3Very low113 Ų113119.6 Ų119.669%0.68568%0.682SS**  trans-73.488.1167.1-175.60000107C58 T62 M71C58-V60 PolarHBondContact O-N 3.1Å; V60-T62 PolarHBondContact O-N 3.31Å; V60-M71 WeakPolarHBondContact O-CE 3.23Å
61T46Very low41.1Very low112 Ų112117.2 Ų117.269%0.68767%0.668SS**  trans-77.2103.817250.60000108.5T59 N63T59-T61 VanDerWaalsContact C-N 3.26Å; T59-T61 PolarHBondContact O-N 3.12Å; T61-N63 PolarHBondContact O-N 3.16Å
62T45.8Very low41.3Very low107 Ų107124.9 Ų124.966%0.65669%0.69SS**  trans-71.6124.5164.257.10000107.2V60 S64V60-T62 PolarHBondContact O-N 3.31Å; T62-S64 PolarHBondContact O-N 3.18Å
63N37.6Very low41.4Very low160 Ų160120.1 Ų120.186%0.85668%0.68SS**  trans-67.980.7174.1-173.4-3.9000108.9T61T61-N63 PolarHBondContact O-N 3.16Å
64S44.1Very low41.5Very low63 Ų63122.6 Ų122.644%0.44169%0.685SS.*  trans-101.698.6161.957.10000106T62 N66 S67T62-S64 PolarHBondContact O-N 3.18Å; S64-N66 PolarHBondContact O-N 3.27Å; S64-S67 PolarHBondContact O-N 3.42Å; S64-S67 VanDerWaalsContact OG-CB 3.23Å; S64-S67 WeakPolarHBondContact OG-CB 3.42Å
65G48.1Very low41.8Very low78 Ų78120 Ų12080%0.80468%0.678SS**THydrogen-bonded Turntrans-62.526.8-171.700000116.9
66N47.9Very low41.8Very low151 Ų151119.5 Ų119.581%0.80768%0.682SS**THydrogen-bonded Turntrans-159.621169-1576.6000114.2S64 T68S64-N66 PolarHBondContact O-N 3.27Å; N66-T68 PolarHBondContact O-N 3.06Å
67S46Very low41.8Very low57 Ų57123.5 Ų123.540%0.39969%0.686SS.*  trans-86103.1-178.5157.60000110.9S64 L69S64-S67 PolarHBondContact O-N 3.42Å; S64-S67 VanDerWaalsContact OG-CB 3.23Å; S64-S67 WeakPolarHBondContact OG-CB 3.42Å; S67-L69 PolarHBondContact O-N 3.31Å; S67-L69 VanDerWaalsContact O-N 3.15Å; S67-L69 VanDerWaalsContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CG 3.33Å; S67-L69 PolarHBondContact OG-N 2.98Å
68T44.8Very low41.5Very low134 Ų134125.2 Ų125.282%0.82270%0.7SS**  trans-71.911.8165.947.80000113.3N66 K70N66-T68 PolarHBondContact O-N 3.06Å; T68-K70 PolarHBondContact O-N 2.99Å
69L39.2Very low41.2Very low135 Ų135125.6 Ų125.671%0.70770%0.702SS**  trans-69.7107179.2-57.8174.7000109.5S67 M71S67-L69 PolarHBondContact O-N 3.31Å; S67-L69 VanDerWaalsContact O-N 3.15Å; S67-L69 VanDerWaalsContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CG 3.33Å; S67-L69 PolarHBondContact OG-N 2.98Å; L69-M71 PolarHBondContact O-N 3.49Å
70K39.3Very low41.1Very low181 Ų181125.6 Ų125.679%0.78771%0.712SS**  trans-58.2105.8167.4-75.5179.7174.6177.60108.3T68 Y72T68-K70 PolarHBondContact O-N 2.99Å; K70-Y72 PolarHBondContact O-N 3.24Å
71M40.1Very low40.8Very low106 Ų106125 Ų12552%0.52271%0.711SS.*PPolyproline II helixtrans-72.7116.6176-70.7-102.9-7600109.1V60 L69V60-M71 WeakPolarHBondContact O-CE 3.23Å; L69-M71 PolarHBondContact O-N 3.49Å
72Y37.5Very low40.3Very low188 Ų188128.2 Ų128.274%0.73772%0.719SS**PPolyproline II helixtrans-80.7139.6170.6-66-84.2000109.5K70 Y74K70-Y72 PolarHBondContact O-N 3.24Å; Y72-Y74 PolarHBondContact O-N 3.42Å
73P45.9Very low40.1Very low105 Ų105129.9 Ų129.968%0.68272%0.723SS**PPolyproline II helixtrans-63.4120.8-179.625.5-32.4000109.8S75P73-S75 PolarHBondContact O-N 3.33Å
74Y40.6Very low39.9Very low203 Ų203125.9 Ų125.980%0.79670%0.701SS**PPolyproline II helixtrans-64.6123.4168.6-68.4-82.1000108.5Y72 V76Y72-Y74 PolarHBondContact O-N 3.42Å; Y74-V76 PolarHBondContact O-N 2.91Å
75S41.6Very low39.7Very low97 Ų97129.3 Ų129.368%0.67871%0.714SS**PPolyproline II helixtrans-64.8116.1172.743.30000109.1P73 Y77P73-S75 PolarHBondContact O-N 3.33Å; S75-Y77 PolarHBondContact O-N 3.39Å
76V38.8Very low39.4Very low135 Ų135129.8 Ų129.882%0.81871%0.705SS**  trans-74.9111.6175.9-174.20000107.6Y74 S78Y74-V76 PolarHBondContact O-N 2.91Å; V76-S78 PolarHBondContact O-N 3.39Å; V76-S78 VanDerWaalsContact O-N 3.09Å
77Y37.3Very low39Very low200 Ų200131.9 Ų131.978%0.78470%0.702SS**  trans-64.6107.2174.2-79.9-93.3000109.6S75S75-Y77 PolarHBondContact O-N 3.39Å
78S34.4Very low38.6Very low112 Ų112131.1 Ų131.178%0.78370%0.696SS**  trans-81.8115.8167.948.20000109.1V76 A80V76-S78 PolarHBondContact O-N 3.39Å; V76-S78 VanDerWaalsContact O-N 3.09Å; S78-A80 PolarHBondContact O-N 3.1Å
79C31.5Very low38.4Very low108 Ų108131 Ų13173%0.7369%0.686SS**  trans-76.6105.716970.70000108.9C81C79-C81 VanDerWaalsContact C-N 3.29Å; C79-C81 PolarHBondContact O-N 3.41Å
80A37.2Very low38.2Very low93 Ų93133.1 Ų133.177%0.76969%0.689SS**  trans-77.781.116900000109.1S78 Q82S78-A80 PolarHBondContact O-N 3.1Å; A80-Q82 PolarHBondContact O-N 3.06Å
81C32.2Very low38.1Very low100 Ų100132.2 Ų132.268%0.67668%0.682SS**  trans-72.791157.7-68.40000106.5C79 L83C79-C81 VanDerWaalsContact C-N 3.29Å; C79-C81 PolarHBondContact O-N 3.41Å; C81-L83 PolarHBondContact O-N 2.96Å
82Q35.8Very low37.9Very low180 Ų180134.3 Ų134.384%0.84168%0.684SS**  trans-61.8105.9-174.4-156.6169.828.200109.9A80 D84A80-Q82 PolarHBondContact O-N 3.06Å; Q82-D84 PolarHBondContact O-N 2.94Å
83L41.7Very low37.9Very low141 Ų141129.8 Ų129.874%0.73868%0.68SS**SBendtrans35.7-0.3150.9-88.5149.6000123A48 C81A48-L83 HydrophobicContact CB-CD1 4.49Å; C81-L83 PolarHBondContact O-N 2.96Å
84D34.3Very low37.6Very low76 Ų76131 Ų13141%0.40668%0.681SS.*  trans-106.677.2176.2-152.9-11000109.7Q82 S86 R87 C88Q82-D84 PolarHBondContact O-N 2.94Å; D84-S86 PolarHBondContact O-N 3.5Å; D84-S86 PolarHBondContact OD1-OG 3.25Å; D84-R87 HydrophobicContact CB-CB 4.48Å; D84-R87 PolarHBondContact O-N 2.99Å; D84-R87 VanDerWaalsContact O-N 3.13Å; D84-C88 PolarHBondContact O-N 2.75Å
85L40.3Very low37.4Very low135 Ų135128.1 Ų128.171%0.70767%0.67SS**Hα-helixtrans-51.7-27.6175.3-89.287.7000111.7C88L85-C88 PolarHBondContact O-N 3Å
86S40.6Very low37.2Very low89 Ų89131.8 Ų131.862%0.62268%0.681SS**Hα-helixtrans-68.7-42-179.480.40000112.7D84D84-S86 PolarHBondContact O-N 3.5Å; D84-S86 PolarHBondContact OD1-OG 3.25Å
87R39.4Very low36.9Very low194 Ų194135 Ų13573%0.73268%0.678SS**Hα-helixtrans-75.5-25.1176.3-75.8-176172.4-158.7-0.5112.8D84 H89D84-R87 HydrophobicContact CB-CB 4.48Å; D84-R87 PolarHBondContact O-N 2.99Å; D84-R87 VanDerWaalsContact O-N 3.13Å; R87-H89 VanDerWaalsContact C-N 3.32Å; R87-H89 PolarHBondContact O-N 2.86Å
88C38.8Very low36.6Very low41 Ų41131.6 Ų131.628%0.27767%0.669SS.*Hα-helixtrans-72-23.2-179.5-1520000113.3D84 L85 K90 Y91 R92D84-C88 PolarHBondContact O-N 2.75Å; L85-C88 PolarHBondContact O-N 3Å; C88-K90 VanDerWaalsContact C-N 3.32Å; C88-K90 PolarHBondContact O-N 3.06Å; C88-Y91 PolarHBondContact O-N 2.85Å; C88-R92 PolarHBondContact O-N 3.11Å
89H39.1Very low36.4Very low131 Ų131135.3 Ų135.361%0.60667%0.666SS**Hα-helixtrans-63.3-35.9178-105.5-80.8000113.4R87 Y91 R92 S93R87-H89 VanDerWaalsContact C-N 3.32Å; R87-H89 PolarHBondContact O-N 2.86Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 3.34Å; H89-R92 PolarHBondContact O-N 2.94Å; H89-S93 PolarHBondContact O-N 3.48Å
90K36.6Very low36.5Very low180 Ų180135.8 Ų135.878%0.78367%0.669SS**Hα-helixtrans-67.5-29.9177.1-122.8-178.6-177-177.90112.3C88C88-K90 VanDerWaalsContact C-N 3.32Å; C88-K90 PolarHBondContact O-N 3.06Å
91Y36.9Very low36.3Very low163 Ų163137.4 Ų137.464%0.63966%0.664SS**Hα-helixtrans-85.3-29.2176.2-77.5-84.2000113.4C88 H89C88-Y91 PolarHBondContact O-N 2.85Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 3.34Å
92R34.7Very low36.2Very low150 Ų150138 Ų13857%0.56667%0.67SS**Hα-helixtrans-70.5-33.4176-92.2-176.3168.1165.5-2.1113.8C88 H89 N94C88-R92 PolarHBondContact O-N 3.11Å; H89-R92 PolarHBondContact O-N 2.94Å; R92-N94 PolarHBondContact O-N 2.91Å
93S39.2Very low35.8Very low93 Ų93131.2 Ų131.265%0.6565%0.648SS**THydrogen-bonded Turntrans-70.7-29.6-174.9178.70000114.3H89H89-S93 PolarHBondContact O-N 3.48Å
94N38.7Very low35.8Very low129 Ų129130.2 Ų130.269%0.6965%0.65SS**THydrogen-bonded Turntrans-108.6-3.8-174.8-73.8-63.2000114.3R92R92-N94 PolarHBondContact O-N 2.91Å
95Y35.3Very low35.9Very low144 Ų144130.3 Ų130.357%0.56565%0.653SS**  trans-123.671.6178.4-64.7-85.4000110.6R97Y95-R97 CarbonylContact O-C 3.56Å; Y95-R97 PolarHBondContact O-N 3.44Å
96L37.9Very low35.7Very low174 Ų174128.5 Ų128.591%0.91165%0.647SS**SBendtrans-59.34.4163-140.1101.5000113.3
97R33.6Very low35.3Very low201 Ų201127.9 Ų127.976%0.75865%0.648SS**  trans-131.985.1169.8-68.4-179172.1142.3-1.7107.2Y95 R99Y95-R97 CarbonylContact O-C 3.56Å; Y95-R97 PolarHBondContact O-N 3.44Å; R97-R99 PolarHBondContact O-N 2.92Å
98H31Very low35.3Very low130 Ų130126.8 Ų126.860%0.60265%0.653SS**  trans-62.174.4152.5-70.9-87.9000107.8C100H98-C100 VanDerWaalsContact C-N 3.3Å; H98-C100 PolarHBondContact O-N 3.35Å; H98-C100 VanDerWaalsContact O-N 3.14Å
99R30.6Very low35.2Very low189 Ų189131.6 Ų131.671%0.71368%0.675SS**  trans-75.192.8162.1-104.4-175.8174.6160.7-2.4104.7R97 L101R97-R99 PolarHBondContact O-N 2.92Å; R99-L101 PolarHBondContact O-N 2.81Å
100C32.9Very low34.7Very low118 Ų118131.8 Ų131.880%0.79768%0.68SS**SBendtrans-65.934.6164.5-630000112.3H98H98-C100 VanDerWaalsContact C-N 3.3Å; H98-C100 PolarHBondContact O-N 3.35Å; H98-C100 VanDerWaalsContact O-N 3.14Å
101L32.5Very low34.5Very low127 Ų127128.8 Ų128.867%0.66568%0.679SS**  trans-143.757.7-177.9-72.1168.1000107.8R99R99-L101 PolarHBondContact O-N 2.81Å
102S29.8Very low34.2Very low113 Ų113127.4 Ų127.479%0.7969%0.688SS**  trans-148.365.7169.5-67.60000108.4
103G28Very low34Very low37 Ų37124.8 Ų124.838%0.38170%0.698SS.*SBendtrans-165.7150171.800000107.4T105G103-T105 PolarHBondContact O-N 3.21Å; G103-T105 PolarHBondContact O-OG1 2.71Å
104P42Very low33.5Very low120 Ų120124.7 Ų124.778%0.77970%0.697SS**G310 helixtrans-71.824.7-160.830.2-35.7000115.3V106 A107P104-V106 PolarHBondContact O-N 3.33Å; P104-A107 WeakPolarHBondContact O-CB 3.01Å; P104-A107 PolarHBondContact O-N 3.13Å
105T35.3Very low33Very low78 Ų78126.6 Ų126.648%0.47970%0.702SS.*G310 helixtrans-67.1-9.2171.844.80000113.6G103 A107 M108G103-T105 PolarHBondContact O-N 3.21Å; G103-T105 PolarHBondContact O-OG1 2.71Å; T105-A107 PolarHBondContact O-N 3.48Å; T105-M108 PolarHBondContact O-N 3.2Å
106V37.1Very low32.5Very low97 Ų97127.5 Ų127.559%0.58871%0.711SS**G310 helixtrans-66.2-20.9167.7-169.10000111.6P104 L109P104-V106 PolarHBondContact O-N 3.33Å; V106-L109 PolarHBondContact O-N 3.15Å
107A32.7Very low32Very low76 Ų76123.8 Ų123.863%0.62870%0.7SS**G310 helixtrans-75.1-24.3177.200000113.8P104 T105P104-A107 WeakPolarHBondContact O-CB 3.01Å; P104-A107 PolarHBondContact O-N 3.13Å; T105-A107 PolarHBondContact O-N 3.48Å
108M39Very low31.7Very low172 Ų172120.2 Ų120.285%0.84770%0.7SS**G310 helixtrans-85.7-9.5176.8-70.2-68.3-7200113.1T105T105-M108 PolarHBondContact O-N 3.2Å
109L37Very low31.5Very low141 Ų141118.3 Ų118.374%0.73870%0.702SS**SBendtrans-92.8-7-179.8-70.5172.8000113.3V106 P111V106-L109 PolarHBondContact O-N 3.15Å; L109-P111 WeakPolarHBondContact O-CD 3.36Å
110L28.5Very low31.4Very low136 Ų136116.9 Ų116.971%0.71271%0.707SS**SBendtrans-88.8117.2172.4-134.772.5000108.6T112L110-T112 PolarHBondContact O-N 3.21Å
111P30.8Very low31.1Very low116 Ų116116 Ų11675%0.75370%0.702SS**  trans-58.9111.1172.6-14.527.1000107.4L109 A113L109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-A113 PolarHBondContact O-N 3.36Å
112T32.6Very low30.9Very low135 Ų135122.1 Ų122.183%0.82872%0.717SS**  trans-67.191.7168.947.30000107.2L110 S114L110-T112 PolarHBondContact O-N 3.21Å; T112-S114 PolarHBondContact O-N 2.83Å; T112-S114 VanDerWaalsContact O-N 3.13Å
113A29.4Very low30.8Very low94 Ų94122.8 Ų122.878%0.77772%0.716SS**  trans-68.298.316600000107.9P111P111-A113 PolarHBondContact O-N 3.36Å
114S28.1Very low30.9Very low92 Ų92124.9 Ų124.964%0.64373%0.73SS**  trans178.4116.2147.850.50000110.7T112T112-S114 PolarHBondContact O-N 2.83Å; T112-S114 VanDerWaalsContact O-N 3.13Å
115H28.7Very low30.3Very low168 Ų168126.4 Ų126.478%0.77874%0.737SS**  trans56.7105133.1-77.4-89.1000118.9
116E24.6Very low30Very low164 Ų164130 Ų13077%0.76675%0.747SS**  39.6103.8107.3-159.8-176.6155.100116
117S27.9Very low29.5Very low96 Ų96131.3 Ų131.367%0.67176%0.761SS**  160.1124.7120-74.60000112
118T26.3Very low29.2Very low125 Ų125131.6 Ų131.677%0.76776%0.759SS**  trans71.395.9132.2-47.90000118
119S26.9Very low28.6Very low90 Ų90130.1 Ų130.163%0.62976%0.759SS**  trans35.4130.7132.3680000120.1
120L30.2Very low28Very low160 Ų160131.4 Ų131.484%0.83876%0.759SS**  trans106124.3150.9-72.2130000117.4
121S25.6Very low28Very low98 Ų98134.2 Ų134.269%0.68577%0.768SS**  trans83.582.8148.6-49.80000117.7T123S121-T123 PolarHBondContact O-N 3.38Å; S121-T123 VanDerWaalsContact O-N 3.12Å
122R28.4Very low27.6Very low257 Ų257135.4 Ų135.497%0.9777%0.768SS**  trans-50.9103.6148.9-89.4171.9147.6-177.4-6.4110.1
123T28.9Very low27.3Very low126 Ų126135.3 Ų135.377%0.77377%0.771SS**  trans-144.9115.5155-28.50000110.6S121S121-T123 PolarHBondContact O-N 3.38Å; S121-T123 VanDerWaalsContact O-N 3.12Å
124A29.9Very low27Very low81 Ų81133.8 Ų133.867%0.66977%0.765SS**  trans5596.7151.500000119.5
125V29.2Very low26.9Very low153 Ų153138 Ų13893%0.92778%0.779SS**  trans-122.5104.4133.6-176.30000108.2
126H28.6Very low26.8Very low152 Ų152133.5 Ų133.570%0.70478%0.779SS**  trans-61.9143.9167.2-101.3-119.7000111.5
127S26.3Very low27.2Very low126 Ų126132.7 Ų132.788%0.88179%0.785SS**  trans-166.170.9133.1-83.80000110
128S25.9Very low27.3Very low82 Ų82135.4 Ų135.457%0.57379%0.79SS**  trans-77.8114.9144.844.30000107.9
129V26.9Very low27.7Very low140 Ų140135.8 Ų135.885%0.84879%0.788SS**  trans-72.4123.5142.6173.30000104.9E131V129-E131 PolarHBondContact O-N 2.89Å
130F25.2Very low28Very low169 Ų169139.6 Ų139.674%0.74180%0.796SS**  trans-60.5125.7175.8-88.9-99.3000110.4N132F130-N132 HydrophobicContact CD1-CB 4.41Å
131E28Very low28.3Very low195 Ų195136.5 Ų136.591%0.91179%0.787SS**  trans-123.689.8145.6-89.4-178.3132.100107.4V129 C133V129-E131 PolarHBondContact O-N 2.89Å; E131-C133 PolarHBondContact O-N 3.47Å
132N22.2Very low28.8Very low140 Ų140138.6 Ų138.675%0.74979%0.79SS**  trans-78.5103.7172.5-157.916.5000107.6F130F130-N132 HydrophobicContact CD1-CB 4.41Å
133C25.8Very low29Very low133 Ų133130.3 Ų130.390%0.89977%0.769SS**  trans-144.592.9163.6-90.50000110E131E131-C133 PolarHBondContact O-N 3.47Å
134G24.6Very low29.6Very low63 Ų63131.5 Ų131.565%0.64977%0.77SS**  trans99.491140.200000118.7
135L25.1Very low30Very low179 Ų179131.6 Ų131.694%0.93777%0.766SS**  trans59.489.1135.2-76.1136.6000119.5
136G26.2Very low30.3Very low75 Ų75131.1 Ų131.177%0.77375%0.753SS**  64.887.4122.500000119.2
137V32.3Very low30.6Very low147 Ų147129.8 Ų129.889%0.89175%0.75SS**  trans-138128.4145.3-172.60000108.2
138I31.3Very low30.8Very low152 Ų152130.7 Ų130.778%0.77974%0.744SS**  trans-73.6126.8-161.2-45.8164.8000109.6Q140I138-Q140 PolarHBondContact O-N 2.94Å; I138-Q140 VanDerWaalsContact O-N 3.13Å
139D34.9Very low31.6Very low134 Ų134132.5 Ų132.572%0.71775%0.746SS**  trans-59.7103.7171.8-160.5-27.2000109.8S141D139-S141 PolarHBondContact OD1-N 3.39Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 VanDerWaalsContact OD1-OG 3.07Å
140Q32.1Very low31.6Very low170 Ų170131.1 Ų131.179%0.79474%0.74SS**  trans-118.679.9159.6-76.9-169.833.900108I138 I142I138-Q140 PolarHBondContact O-N 2.94Å; I138-Q140 VanDerWaalsContact O-N 3.13Å; Q140-I142 PolarHBondContact O-N 3.17Å; Q140-I142 VanDerWaalsContact O-N 3.17Å
141S37.7Very low32.1Very low95 Ų95131.6 Ų131.666%0.66474%0.744SS**  trans-59.5108.5163.220.60000109.1D139 P143D139-S141 PolarHBondContact OD1-N 3.39Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 VanDerWaalsContact OD1-OG 3.07Å; S141-P143 WeakPolarHBondContact O-CD 3.19Å
142I34.9Very low32.2Very low142 Ų142127.6 Ų127.673%0.72874%0.737SS**  trans-74.9119.2175.9-58.9171.4000108.2Q140Q140-I142 PolarHBondContact O-N 3.17Å; Q140-I142 VanDerWaalsContact O-N 3.17Å
143P33Very low33Very low82 Ų82127.3 Ų127.353%0.53274%0.743SS.*  trans-67.8136.217825.4-31.4000111.4S141 S145S141-P143 WeakPolarHBondContact O-CD 3.19Å; P143-S145 PolarHBondContact O-N 2.76Å
144L41.1Very low33Very low151 Ų151124.3 Ų124.379%0.79174%0.735SS**G310 helixtrans-62.31.7-174.1-82.7156.3000115.7H146 L147L144-H146 PolarHBondContact O-N 2.88Å; L144-L147 HydrophobicContact CD2-CD1 3.8Å
145S38.9Very low33.6Very low84 Ų84127.3 Ų127.359%0.58774%0.743SS**G310 helixtrans-69.4-16.8175.446.60000114P143P143-S145 PolarHBondContact O-N 2.76Å
146H34.9Very low33.7Very low143 Ų143128.3 Ų128.366%0.66274%0.74SS**G310 helixtrans-95.32.1-177.8-62.5-65.7000114.7L144 I148L144-H146 PolarHBondContact O-N 2.88Å; H146-I148 PolarHBondContact O-N 3.36Å
147L35.8Very low34Very low124 Ų124133.5 Ų133.565%0.64975%0.746SS**  trans-83.259.2174.6-110.9148.3000110.5L144 I149L144-L147 HydrophobicContact CD2-CD1 3.8Å; L147-I149 HydrophobicContact CD2-CG1 4.23Å; L147-I149 PolarHBondContact O-N 3.06Å
148I29.7Very low33.7Very low145 Ų145132.5 Ų132.574%0.74474%0.74SS**  trans-77.398.8165.6-57.9173.9000106H146 P150H146-I148 PolarHBondContact O-N 3.36Å; I148-P150 WeakPolarHBondContact O-CD 3.5Å
149I42.2Very low33.8Very low119 Ų119130.1 Ų130.161%0.6174%0.737SS**  trans-72112.7170.5-58.7169.4000106.5L147 H151L147-I149 HydrophobicContact CD2-CG1 4.23Å; L147-I149 PolarHBondContact O-N 3.06Å; I149-H151 PolarHBondContact O-CD2 3.36Å; I149-H151 VanDerWaalsContact O-CD2 3.31Å; I149-H151 PolarHBondContact O-N 2.91Å; I149-H151 VanDerWaalsContact O-N 3.16Å
150P28.2Very low33.5Very low112 Ų112131.2 Ų131.273%0.72774%0.743SS**  trans-68115.5175.226.7-31.2000109.2I148 S152I148-P150 WeakPolarHBondContact O-CD 3.5Å; P150-S152 PolarHBondContact O-N 2.81Å; P150-S152 VanDerWaalsContact O-N 3.1Å
151H34.4Very low33.5Very low179 Ų179130.2 Ų130.283%0.82974%0.742SS**  trans-69.8100.8172-71.2-120.6000108.6I149I149-H151 PolarHBondContact O-CD2 3.36Å; I149-H151 VanDerWaalsContact O-CD2 3.31Å; I149-H151 PolarHBondContact O-N 2.91Å; I149-H151 VanDerWaalsContact O-N 3.16Å
152S30.4Very low32.9Very low110 Ų110129.9 Ų129.977%0.76974%0.74SS**  trans-73126164.468.10000109P150P150-S152 PolarHBondContact O-N 2.81Å; P150-S152 VanDerWaalsContact O-N 3.1Å
153P38.8Very low32.7Very low134 Ų134131.2 Ų131.287%0.8774%0.743SS**  trans-83.8124.4-178.230.9-30.5000111.2
154G26.4Very low32.6Very low71 Ų71134.8 Ų134.873%0.73276%0.757SS**  trans-178155.8163.200000113.1
155P37.4Very low32Very low125 Ų125135.5 Ų135.581%0.81276%0.761SS**  cis-109.2153.1-30.632.7-17.9000111.9M157P155-M157 PolarHBondContact O-N 2.59Å
156K27Very low31.3Very low200 Ų200139.2 Ų139.287%0.8777%0.772SS**  trans-66109.1171.8-78.4172.9173.81730110T158K156-T158 PolarHBondContact O-N 3.09Å
157M32.1Very low30.9Very low185 Ų185138.3 Ų138.391%0.91178%0.78SS**  trans-88.296158.4-82-112.9173.600108.2P155P155-M157 PolarHBondContact O-N 2.59Å
158T26.8Very low30.6Very low125 Ų125138.2 Ų138.277%0.76779%0.787SS**  trans-86.9109.9166.449.30000108.8K156K156-T158 PolarHBondContact O-N 3.09Å
159S34.3Very low30.5Very low103 Ų103140.8 Ų140.872%0.7279%0.793SS**  trans-158.8113147.559.50000109.7L161S159-L161 PolarHBondContact O-N 3.42Å
160N28.3Very low29.9Very low156 Ų156140.6 Ų140.683%0.83480%0.799SS**  trans-55.7119.2167.7-62.6-57.9000109.6
161L31.1Very low30.1Very low149 Ų149143.9 Ų143.978%0.7881%0.809SS**  trans-137.262.1160.7-133.189.9000109.1S159S159-L161 PolarHBondContact O-N 3.42Å
162S26Very low29.7Very low89 Ų89140 Ų14062%0.62280%0.802SS**  trans-57.8147143.328.90000107.9
163H31Very low29.5Very low170 Ų170145.8 Ų145.879%0.78781%0.807SS**  trans92.658.4-179.3-51.5-84.7000117.7
164L30.5Very low29.3Very low157 Ų157147.6 Ų147.682%0.82281%0.808SS**  trans-14361.2136.9-77.1-175.8000110.4M166L164-M166 VanDerWaalsContact C-N 3.31Å; L164-M166 PolarHBondContact O-N 2.91Å
165N27.3Very low29.4Very low165 Ų165149 Ų14988%0.88281%0.806SS**  trans-79.386.5151.2-90.1-25.6000107.3
166M25.4Very low28.8Very low163 Ų163150.7 Ų150.780%0.80381%0.809SS**  trans-139.179.3165.1-94.8-95.8133.500107.1L164 P168L164-M166 VanDerWaalsContact C-N 3.31Å; L164-M166 PolarHBondContact O-N 2.91Å; M166-P168 WeakPolarHBondContact O-CD 3.28Å
167C25.8Very low29Very low123 Ų123146.3 Ų146.383%0.83180%0.8SS**PPolyproline II helixtrans-66119.2156.4-76.70000107.1K169C167-K169 PolarHBondContact O-N 3.02Å
168P30.6Very low28.7Very low123 Ų123145.8 Ų145.880%0.79979%0.794SS**PPolyproline II helixtrans-63.5126.7177.623.8-30.1000109.6M166M166-P168 WeakPolarHBondContact O-CD 3.28Å
169K26.9Very low28.8Very low199 Ų199149.6 Ų149.687%0.86580%0.8SS**PPolyproline II helixtrans-57.5144.7174.7-129.7160.9178.7171.50109.7C167 L171C167-K169 PolarHBondContact O-N 3.02Å; K169-L171 PolarHBondContact O-N 3.31Å
170P30.4Very low28.4Very low114 Ų114150.9 Ų150.974%0.7479%0.794SS**PPolyproline II helixtrans-71.6132.7-167.223.7-23.8000111.1S172P170-S172 PolarHBondContact O-N 3.4Å
171L31.1Very low28.5Very low181 Ų181148.8 Ų148.895%0.94879%0.789SS**  trans-60.2100167.7-86.7159.7000108.6K169K169-L171 PolarHBondContact O-N 3.31Å
172S27.3Very low28.3Very low97 Ų97149.1 Ų149.168%0.67879%0.787SS**  trans-59.4136.1168.849.90000111.3P170P170-S172 PolarHBondContact O-N 3.4Å
173R25.8Very low28.2Very low233 Ų233151 Ų15188%0.87980%0.798SS**  trans62.589.9148.5-65-177-175.7-175.61.5116.9
174I34.7Very low28.1Very low171 Ų171152.4 Ų152.488%0.87780%0.802SS**  -116.6118.3129.9-61.3175.5000106.1
175S27.9Very low27.8Very low100 Ų100149.8 Ų149.870%0.69980%0.797SS**  trans-61.1120.2-173.946.60000112.9
176N25Very low27.8Very low162 Ų162147.3 Ų147.387%0.86679%0.793SS**  trans-95.6112.5151.1-94.72.1000107.9
177P29.9Very low27.9Very low107 Ų107145.2 Ų145.270%0.69579%0.789SS**  trans-75.1123.3162.631-27000108.2F179P177-F179 PolarHBondContact O-N 3.24Å
178F26.3Very low27.9Very low175 Ų175146.8 Ų146.877%0.76879%0.785SS**  trans33.388.6136.8-123.8-98.4000116.1E180F178-E180 HydrophobicContact CD1-CB 4.5Å; F178-E180 HydrophobicContact CE1-CB 4.39Å
179F29.8Very low28Very low205 Ų205151.4 Ų151.490%0.89979%0.793SS**  trans-120.490.9150.3-107.1-89.9000107.3P177 P181P177-F179 PolarHBondContact O-N 3.24Å; F179-P181 WeakPolarHBondContact O-CD 3.38Å
180E25.1Very low28Very low129 Ų129149.4 Ų149.460%0.60379%0.786SS**  trans-64.8113.6163.5-164.1-179.9155.900107F178 H182F178-E180 HydrophobicContact CD1-CB 4.5Å; F178-E180 HydrophobicContact CE1-CB 4.39Å; E180-H182 PolarHBondContact O-N 3.45Å; E180-H182 VanDerWaalsContact O-N 3.1Å
181P31.4Very low27.9Very low112 Ų112148.9 Ų148.973%0.72779%0.785SS**  trans-78.6101.7177.527.6-23.7000107.5F179 C183F179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-C183 PolarHBondContact O-N 3.32Å
182H26.3Very low27.9Very low157 Ų157146 Ų14673%0.72778%0.775SS**  trans-53.6107.4159.3-89.2-80.5000108.1E180 F184E180-H182 PolarHBondContact O-N 3.45Å; E180-H182 VanDerWaalsContact O-N 3.1Å; H182-F184 PolarHBondContact O-N 3.3Å
183C23.5Very low28.1Very low129 Ų129149.5 Ų149.587%0.87278%0.78SS**  trans-56.6100.6169.5-72.60000109P181 S185P181-C183 PolarHBondContact O-N 3.32Å; C183-S185 PolarHBondContact O-N 2.93Å
184F28.7Very low28.6Very low198 Ų198143.4 Ų143.487%0.86878%0.779SS**  trans-77.5118.9161.2-86.7-77.1000108.8H182H182-F184 PolarHBondContact O-N 3.3Å
185S24.9Very low28.5Very low103 Ų103140.3 Ų140.372%0.7277%0.773SS**  trans-55.4135.9179.3-176.10000112.2C183 T187C183-S185 PolarHBondContact O-N 2.93Å; S185-T187 PolarHBondContact O-N 3.43Å
186S26.8Very low28.8Very low112 Ų112144 Ų14478%0.78378%0.779SS**  trans-10.3115.9155-60.60000115.7
187T27.3Very low29.4Very low119 Ų119140.7 Ų140.773%0.7377%0.768SS**  trans-152.6112.9143.923.50000109.5S185S185-T187 PolarHBondContact O-N 3.43Å
188E26.1Very low29.6Very low157 Ų157146.7 Ų146.773%0.73478%0.777SS**  trans51.1100.6141.2-58.1-178.3131.900119.4
189F33.2Very low30.2Very low220 Ų220144.8 Ų144.897%0.96577%0.769SS**  trans-137.6104.9135.2-97.4-80.6000110.6
190H26.9Very low30.5Very low157 Ų157138.9 Ų138.973%0.72776%0.758SS**  trans-68.7152.1165.4-91.1-104.8000111.5
191S29Very low30.9Very low102 Ų102137.5 Ų137.571%0.71376%0.761SS**  trans71.1144.5155.9-73.90000117
192T30.9Very low31.4Very low122 Ų122141 Ų14175%0.74879%0.788SS**  cis-167.5152.2-0.212.40000106.8
193H30.9Very low31.6Very low170 Ų170140.2 Ų140.279%0.78779%0.791SS**  trans57.784.5159.3-95.4-99.2000118.6S195H193-S195 PolarHBondContact O-N 2.9Å
194A35.6Very low32.1Very low104 Ų104140.8 Ų140.886%0.8679%0.787SS**  trans-6597.6157.900000109.6
195S33.2Very low32.2Very low106 Ų106137.6 Ų137.674%0.74178%0.783SS**  trans-63.9135.6174.9-67.10000110.4H193 S197H193-S195 PolarHBondContact O-N 2.9Å; S195-S197 PolarHBondContact O-N 3.49Å; S195-S197 VanDerWaalsContact O-N 3.11Å
196H35Very low32.7Very low179 Ų179139.6 Ų139.683%0.82979%0.786SS**  trans-48.2113.2179-77.7-135.2000111.8R198H196-R198 PolarHBondContact O-N 3.26Å
197S36.4Very low33Very low91 Ų91141.4 Ų141.464%0.63679%0.787SS**  trans-66.898.8167.1-175.80000108.9S195 F199S195-S197 PolarHBondContact O-N 3.49Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S197-F199 PolarHBondContact O-N 3.4Å; S197-F199 WeakPolarHBondContact OG-CE2 3.34Å
198R33.5Very low33.4Very low234 Ų234142.9 Ų142.988%0.88379%0.79SS**  trans-74.399167.5-62.8-172.2-163.8-175.15.2107.5H196 A200H196-R198 PolarHBondContact O-N 3.26Å; R198-A200 VanDerWaalsContact C-N 3.26Å; R198-A200 PolarHBondContact O-N 3.1Å
199F39.3Very low34Very low135 Ų135141.9 Ų141.959%0.59279%0.794SS**  trans-72.489.4162-74.9-84.7000107.8S197S197-F199 PolarHBondContact O-N 3.4Å; S197-F199 WeakPolarHBondContact OG-CE2 3.34Å
200A36.1Very low34Very low81 Ų81135.8 Ų135.867%0.66978%0.781SS**  trans-75.5120.2164.800000107.5R198 S202R198-A200 VanDerWaalsContact C-N 3.26Å; R198-A200 PolarHBondContact O-N 3.1Å; A200-S202 PolarHBondContact O-N 2.95Å; A200-S202 VanDerWaalsContact O-N 3.16Å
201C33.2Very low34.6Very low99 Ų99134.1 Ų134.167%0.66979%0.786SS**  trans-65.7112165.7-61.30000106.4C32C32-C201 VanDerWaalsContact SG-SG 3.66Å
202S42.2Very low35.1Very low186 Ų186137 Ų137100%1.30179%0.792SS**  trans-960170-52.70000108.9A200A200-S202 PolarHBondContact O-N 2.95Å; A200-S202 VanDerWaalsContact O-N 3.16Å

Retrieved 202 of 202 residues in 170.6 ms (Link to these results)