A0A5K4EJP3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A3Q0KK67), UniProt , Accession A0A5K4EJP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 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
1M34.4Very low45.4Very low250 Ų250164.4 Ų164.4100%1.23282%0.823SS**  078.70-73.9-168.3-96.300111
2R39.2Very low46.6Very low248 Ų248162 Ų16294%0.93683%0.831SS**  trans-139.4108.9161.1-115.2178.3166149.7-3.6104.3Q4R2-Q4 PolarHBondContact O-N 3Å
3R44Very low48.3Very low247 Ų247155.2 Ų155.293%0.93280%0.796SS**  trans-61.1107.3179.6-73.8174.2163.4167.4-6106.8L5R3-L5 VanDerWaalsContact C-N 3.27Å; R3-L5 PolarHBondContact O-N 3.31Å
4Q40.3Very low50.3Low168 Ų168148.1 Ų148.179%0.78577%0.767SS**  trans-57.3103.2155.4-95.9171.4-29.900104.8R2 D6R2-Q4 PolarHBondContact O-N 3Å; Q4-D6 PolarHBondContact O-N 3.1Å
5L49.7Very low52.3Low166 Ų166149.3 Ų149.387%0.86977%0.767SS**  trans-67.590.8151.8-95143.1000103.2R3 G7R3-L5 VanDerWaalsContact C-N 3.27Å; R3-L5 PolarHBondContact O-N 3.31Å; L5-G7 PolarHBondContact O-N 3.07Å
6D44.4Very low54.3Low123 Ų123151.6 Ų151.666%0.65876%0.764SS**  trans-45.3129171.8-84.1-45.6000107.9Q4 F8Q4-D6 PolarHBondContact O-N 3.1Å; D6-F8 PolarHBondContact O-N 2.96Å
7G41.6Very low56Low61 Ų61148.9 Ų148.963%0.62975%0.748SS**  trans-49.1105-178.700000109.1L5 D9L5-G7 PolarHBondContact O-N 3.07Å; G7-D9 PolarHBondContact O-N 3.06Å
8F47.4Very low57.5Low193 Ų193147.1 Ų147.185%0.84673%0.732SS**  trans-63.692138.3-83.7-88.4000104D6 S10D6-F8 PolarHBondContact O-N 2.96Å; F8-S10 PolarHBondContact O-N 3.06Å
9D49.5Very low58.9Low152 Ų152143.9 Ų143.981%0.81372%0.72SS**  trans-35.495.7151.4-69.8-47.9000105.1G7 P11G7-D9 PolarHBondContact O-N 3.06Å; D9-P11 VanDerWaalsContact C-N 3.33Å; D9-P11 WeakPolarHBondContact O-CD 3.27Å
10S53.1Low60.4Low102 Ų102143.1 Ų143.171%0.71371%0.712SS**  trans-67.4107.3171.4-77.60000101.6F8 C12F8-S10 PolarHBondContact O-N 3.06Å; S10-C12 PolarHBondContact O-N 3.09Å
11P55.9Low61.6Low98 Ų98140.3 Ų140.364%0.63670%0.699SS**  trans-51.6137.6166.524.5-31.4000104.7D9 I13D9-P11 VanDerWaalsContact C-N 3.33Å; D9-P11 WeakPolarHBondContact O-CD 3.27Å; P11-I13 HydrophobicContact CG-CG2 4.08Å; P11-I13 WeakPolarHBondContact O-CG2 3.32Å; P11-I13 PolarHBondContact O-N 3.15Å
12C59.9Low64.1Low136 Ų136131.6 Ų131.692%0.91966%0.656SS**  trans-6080.6174.2-61.20000107.2S10 S14S10-C12 PolarHBondContact O-N 3.09Å; C12-S14 PolarHBondContact O-N 2.9Å
13I68.9Low66.6Low73 Ų73127.3 Ų127.337%0.37464%0.641SS.*  trans-64.9127.5178.751-178.2000104.4P11 E15 E17 Y18P11-I13 HydrophobicContact CG-CG2 4.08Å; P11-I13 WeakPolarHBondContact O-CG2 3.32Å; P11-I13 PolarHBondContact O-N 3.15Å; I13-E15 PolarHBondContact O-N 2.82Å; I13-E17 HydrophobicContact CB-CB 4.22Å; I13-Y18 HydrophobicContact CD1-CD2 3.61Å; I13-Y18 HydrophobicContact CD1-CG 4.23Å
14S76.6Confident68.7Low57 Ų57117.4 Ų117.440%0.39962%0.615SS.*  trans-54.814717462.10000108.3C12 R16 E17 Y18C12-S14 PolarHBondContact O-N 2.9Å; S14-R16 PolarHBondContact O-N 2.75Å; S14-E17 PolarHBondContact N-OE2 3.41Å; S14-E17 VanDerWaalsContact N-OE2 3.16Å; S14-E17 WeakPolarHBondContact O-CA 3.46Å; S14-E17 WeakPolarHBondContact O-CB 3.35Å; S14-E17 PolarHBondContact O-N 3.39Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.36Å; S14-E17 PolarHBondContact OG-N 2.8Å; S14-E17 PolarHBondContact OG-OE2 2.7Å; S14-E17 VanDerWaalsContact OG-OE2 3.07Å; S14-Y18 PolarHBondContact O-N 3.08Å
15E80.3Confident71.1Confident165 Ų165114.9 Ų114.977%0.77160%0.598SS**Hα-helixtrans-48.7-37.4176.8-175.2-177.5175.800111.3I13 Y18 V19I13-E15 PolarHBondContact O-N 2.82Å; E15-Y18 WeakPolarHBondContact O-CB 3.45Å; E15-Y18 PolarHBondContact O-N 2.96Å; E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.44Å; E15-V19 PolarHBondContact O-N 2.82Å
16R83.5Confident73.2Confident187 Ų187112.3 Ų112.371%0.70658%0.58SS**Hα-helixtrans-61.6-43174.8-169.8178.5-174.6-170.92113.6S14 K20S14-R16 PolarHBondContact O-N 2.75Å; R16-K20 WeakPolarHBondContact O-CG 3.29Å; R16-K20 PolarHBondContact O-N 2.98Å; R16-K20 VanDerWaalsContact O-N 3.14Å
17E82.9Confident75.4Confident106 Ų106110.6 Ų110.650%0.49557%0.57SS.*Hα-helixtrans-70.1-38.6176-76.8167.1155.600111.7I13 S14 V19 K20 L21I13-E17 HydrophobicContact CB-CB 4.22Å; S14-E17 PolarHBondContact N-OE2 3.41Å; S14-E17 VanDerWaalsContact N-OE2 3.16Å; S14-E17 WeakPolarHBondContact O-CA 3.46Å; S14-E17 WeakPolarHBondContact O-CB 3.35Å; S14-E17 PolarHBondContact O-N 3.39Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.36Å; S14-E17 PolarHBondContact OG-N 2.8Å; S14-E17 PolarHBondContact OG-OE2 2.7Å; S14-E17 VanDerWaalsContact OG-OE2 3.07Å; E17-V19 PolarHBondContact O-N 2.73Å; E17-K20 PolarHBondContact O-N 2.92Å; E17-L21 WeakPolarHBondContact O-CB 3.45Å; E17-L21 PolarHBondContact O-N 2.74Å
18Y83.2Confident77.7Confident116 Ų116110.7 Ų110.746%0.45557%0.565SS.*Hα-helixtrans-57.7-48.3173.2179.9-98.2000111.3I13 S14 E15 K20 L21 Q22I13-Y18 HydrophobicContact CD1-CD2 3.61Å; I13-Y18 HydrophobicContact CD1-CG 4.23Å; S14-Y18 PolarHBondContact O-N 3.08Å; E15-Y18 WeakPolarHBondContact O-CB 3.45Å; E15-Y18 PolarHBondContact O-N 2.96Å; Y18-K20 PolarHBondContact O-N 3.12Å; Y18-L21 PolarHBondContact O-N 2.6Å; Y18-Q22 HydrophobicContact CD1-CG 4.03Å; Y18-Q22 HydrophobicContact CE1-CG 3.67Å; Y18-Q22 HydrophobicContact CE2-CG 4.33Å; Y18-Q22 HydrophobicContact CG-CG 4.48Å; Y18-Q22 WeakPolarHBondContact O-CG 3.36Å; Y18-Q22 PolarHBondContact O-N 3.01Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å
19V85Confident79.8Confident86 Ų86107.9 Ų107.952%0.52155%0.554SS.*Hα-helixtrans-60.5-44.7178.2171.40000111.4E15 E17 L21 Q22 Y23E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.44Å; E15-V19 PolarHBondContact O-N 2.82Å; E17-V19 PolarHBondContact O-N 2.73Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 2.92Å; V19-Q22 PolarHBondContact O-N 2.68Å; V19-Y23 WeakPolarHBondContact O-CB 3.22Å; V19-Y23 PolarHBondContact O-N 3.04Å
20K88.1Confident81.7Confident128 Ų128103.9 Ų103.956%0.55753%0.533SS*.Hα-helixtrans-59.7-43.3175.6-75.3177.5179.6-1780112R16 E17 Y18 Y23 G24R16-K20 WeakPolarHBondContact O-CG 3.29Å; R16-K20 PolarHBondContact O-N 2.98Å; R16-K20 VanDerWaalsContact O-N 3.14Å; E17-K20 PolarHBondContact O-N 2.92Å; Y18-K20 PolarHBondContact O-N 3.12Å; K20-Y23 PolarHBondContact O-N 3.39Å; K20-G24 PolarHBondContact O-N 3.23Å
21L85.9Confident83.4Confident84 Ų84101.5 Ų101.544%0.4452%0.52SS..Hα-helixtrans-68.5-38.9-178.7-163.7146.2000111.1E17 Y18 V19 G24 R25E17-L21 WeakPolarHBondContact O-CB 3.45Å; E17-L21 PolarHBondContact O-N 2.74Å; Y18-L21 PolarHBondContact O-N 2.6Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 2.92Å; L21-G24 PolarHBondContact O-N 2.86Å; L21-R25 HydrophobicContact CD2-CG 4.43Å; L21-R25 VanDerWaalsContact CD2-NH1 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.08Å; L21-R25 PolarHBondContact O-N 3.41Å
22Q87.5Confident84.9Confident68 Ų68100.6 Ų100.632%0.31852%0.515SS..Hα-helixtrans-63.3-42.6171.6-68-60.42.700112.4Y18 V19 R25 K26Y18-Q22 HydrophobicContact CD1-CG 4.03Å; Y18-Q22 HydrophobicContact CE1-CG 3.67Å; Y18-Q22 HydrophobicContact CE2-CG 4.33Å; Y18-Q22 HydrophobicContact CG-CG 4.48Å; Y18-Q22 WeakPolarHBondContact O-CG 3.36Å; Y18-Q22 PolarHBondContact O-N 3.01Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å; V19-Q22 PolarHBondContact O-N 2.68Å; Q22-R25 PolarHBondContact O-N 2.95Å; Q22-R25 VanDerWaalsContact OE1-NE 3.16Å; Q22-K26 PolarHBondContact O-N 2.72Å
23Y90.8Very high86.2Confident158 Ų15899.2 Ų99.262%0.6250%0.498SS*.Hα-helixtrans-63.1-43.5176.7-169.7-102.5000111.9V19 K20 R25 K26 I27V19-Y23 WeakPolarHBondContact O-CB 3.22Å; V19-Y23 PolarHBondContact O-N 3.04Å; K20-Y23 PolarHBondContact O-N 3.39Å; Y23-R25 PolarHBondContact O-N 3.31Å; Y23-K26 PolarHBondContact O-N 2.74Å; Y23-I27 HydrophobicContact CD1-CD1 3.59Å; Y23-I27 HydrophobicContact CD1-CG1 4.39Å; Y23-I27 HydrophobicContact CE1-CD1 3.31Å; Y23-I27 HydrophobicContact CE1-CG1 4.15Å; Y23-I27 WeakPolarHBondContact O-CG1 3.33Å; Y23-I27 PolarHBondContact O-N 2.95Å
24G89Confident86.7Confident38 Ų38101.1 Ų101.139%0.39251%0.508SS..Hα-helixtrans-61.1-42.4174.600000112.8K20 L21 K26 I27 A28K20-G24 PolarHBondContact O-N 3.23Å; L21-G24 PolarHBondContact O-N 2.86Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 2.59Å; G24-I27 PolarHBondContact O-N 2.85Å; G24-A28 PolarHBondContact O-N 2.75Å
25R89.7Confident86.8Confident115 Ų115102.5 Ų102.543%0.43452%0.523SS..Hα-helixtrans-60.3-42.9173.8-77.6-165.7-81.9-126.8-0.2112.2L21 Q22 Y23 A28 Q29L21-R25 HydrophobicContact CD2-CG 4.43Å; L21-R25 VanDerWaalsContact CD2-NH1 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.08Å; L21-R25 PolarHBondContact O-N 3.41Å; Q22-R25 PolarHBondContact O-N 2.95Å; Q22-R25 VanDerWaalsContact OE1-NE 3.16Å; Y23-R25 PolarHBondContact O-N 3.31Å; R25-A28 PolarHBondContact O-N 2.69Å; R25-Q29 WeakPolarHBondContact O-CG 3.13Å; R25-Q29 PolarHBondContact O-N 2.99Å
26K93.4Very high86.8Confident113 Ų11399.5 Ų99.549%0.49152%0.516SS..Hα-helixtrans-61.6-46.2176.9-176.7177.8-177.8-620111.8Q22 Y23 G24 A28 Q29 D30Q22-K26 PolarHBondContact O-N 2.72Å; Y23-K26 PolarHBondContact O-N 2.74Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 2.59Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A28 PolarHBondContact O-N 2.67Å; K26-Q29 PolarHBondContact O-N 3.06Å; K26-D30 IonicContact NZ-OD2 2.67Å; K26-D30 PolarHBondContact NZ-OD2 3.04Å; K26-D30 WeakPolarHBondContact O-CB 3.45Å; K26-D30 VanDerWaalsContact O-CG 3.26Å; K26-D30 PolarHBondContact O-N 3.31Å
27I90.4Very high86.4Confident87 Ų8795.7 Ų95.745%0.44651%0.507SS..Hα-helixtrans-59.4-45.3176.5-67.5165.1000111Y23 G24 Q29 D30 A31Y23-I27 HydrophobicContact CD1-CD1 3.59Å; Y23-I27 HydrophobicContact CD1-CG1 4.39Å; Y23-I27 HydrophobicContact CE1-CD1 3.31Å; Y23-I27 HydrophobicContact CE1-CG1 4.15Å; Y23-I27 WeakPolarHBondContact O-CG1 3.33Å; Y23-I27 PolarHBondContact O-N 2.95Å; G24-I27 PolarHBondContact O-N 2.85Å; I27-Q29 VanDerWaalsContact C-N 3.31Å; I27-Q29 PolarHBondContact O-N 3.49Å; I27-D30 PolarHBondContact O-N 3.13Å; I27-A31 VanDerWaalsContact O-CB 3.3Å; I27-A31 WeakPolarHBondContact O-CB 3.3Å; I27-A31 PolarHBondContact O-N 3.38Å
28A90.6Very high86Confident62 Ų6298 Ų9851%0.51252%0.516SS..Hα-helixtrans-62.6-39.5179.900000112.1G24 R25 K26 C32G24-A28 PolarHBondContact O-N 2.75Å; R25-A28 PolarHBondContact O-N 2.69Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A28 PolarHBondContact O-N 2.67Å; A28-C32 WeakPolarHBondContact O-CB 3.48Å; A28-C32 PolarHBondContact O-N 2.89Å
29Q91.7Very high85.3Confident134 Ų13497.7 Ų97.763%0.62653%0.526SS*.Hα-helixtrans-65.6-47.3174.6-74.1175.9-14.100112R25 K26 I27 A31 C32 L33R25-Q29 WeakPolarHBondContact O-CG 3.13Å; R25-Q29 PolarHBondContact O-N 2.99Å; K26-Q29 PolarHBondContact O-N 3.06Å; I27-Q29 VanDerWaalsContact C-N 3.31Å; I27-Q29 PolarHBondContact O-N 3.49Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 2.83Å; Q29-C32 PolarHBondContact O-N 2.71Å; Q29-L33 PolarHBondContact O-N 3.35Å
30D90.3Very high84.4Confident68 Ų6897.7 Ų97.736%0.36453%0.528SS..Hα-helixtrans-61.1-42.8178.6-69.3-17.6000110.6K26 I27 L33 L34K26-D30 IonicContact NZ-OD2 2.67Å; K26-D30 PolarHBondContact NZ-OD2 3.04Å; K26-D30 WeakPolarHBondContact O-CB 3.45Å; K26-D30 VanDerWaalsContact O-CG 3.26Å; K26-D30 PolarHBondContact O-N 3.31Å; I27-D30 PolarHBondContact O-N 3.13Å; D30-L33 PolarHBondContact O-N 2.94Å; D30-L34 WeakPolarHBondContact O-CG 3.5Å; D30-L34 PolarHBondContact O-N 3.46Å
31A88Confident83Confident53 Ų5397.2 Ų97.244%0.43853%0.531SS..Hα-helixtrans-65.6-40177.100000112.7I27 Q29 L34 A35I27-A31 VanDerWaalsContact O-CB 3.3Å; I27-A31 WeakPolarHBondContact O-CB 3.3Å; I27-A31 PolarHBondContact O-N 3.38Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 2.83Å; A31-L34 PolarHBondContact O-N 3.25Å; A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.42Å
32C86.4Confident81.7Confident79 Ų79103.2 Ų103.253%0.53455%0.548SS..Hα-helixtrans-63.8-44.6174.7-172.50000110.9A28 Q29 L34 A35 T36A28-C32 WeakPolarHBondContact O-CB 3.48Å; A28-C32 PolarHBondContact O-N 2.89Å; Q29-C32 PolarHBondContact O-N 2.71Å; C32-L34 PolarHBondContact O-N 3.27Å; C32-A35 PolarHBondContact O-N 3.19Å; C32-T36 WeakPolarHBondContact O-CG2 3.37Å; C32-T36 PolarHBondContact O-N 3.47Å; C32-T36 PolarHBondContact O-OG1 3.45Å
33L87.7Confident80.1Confident107 Ų107104.8 Ų104.856%0.5657%0.567SS**Hα-helixtrans-58.9-48.6176.1-178.264.1000111.2Q29 D30 A35 T36 M37Q29-L33 PolarHBondContact O-N 3.35Å; D30-L33 PolarHBondContact O-N 2.94Å; L33-A35 VanDerWaalsContact C-N 3.3Å; L33-A35 PolarHBondContact O-N 2.95Å; L33-T36 WeakPolarHBondContact CA-OG1 3.46Å; L33-T36 PolarHBondContact O-N 3.36Å; L33-T36 VanDerWaalsContact O-N 3.13Å; L33-T36 PolarHBondContact O-OG1 2.93Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.38Å
34L79.2Confident78.2Confident113 Ų113106.6 Ų106.659%0.59258%0.58SS**Hα-helixtrans-60.2-38.1176.2-72.8171.4000112.6D30 A31 C32 T36 M37D30-L34 WeakPolarHBondContact O-CG 3.5Å; D30-L34 PolarHBondContact O-N 3.46Å; A31-L34 PolarHBondContact O-N 3.25Å; C32-L34 PolarHBondContact O-N 3.27Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 2.97Å; L34-M37 HydrophobicContact CD2-CE 3.96Å; L34-M37 HydrophobicContact CD2-SD 3.91Å; L34-M37 WeakPolarHBondContact O-CB 3.42Å; L34-M37 PolarHBondContact O-N 3.02Å
35A79.7Confident76.1Confident86 Ų86106.7 Ų106.771%0.71158%0.582SS**Hα-helixtrans-69.4-29.117700000112.9A31 C32 L33A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.42Å; C32-A35 PolarHBondContact O-N 3.19Å; L33-A35 VanDerWaalsContact C-N 3.3Å; L33-A35 PolarHBondContact O-N 2.95Å
36T79.2Confident74Confident101 Ų101105.1 Ų105.162%0.6259%0.589SS**Hα-helixtrans-82.3-16.517561.20000113.5C32 L33 L34 K38C32-T36 WeakPolarHBondContact O-CG2 3.37Å; C32-T36 PolarHBondContact O-N 3.47Å; C32-T36 PolarHBondContact O-OG1 3.45Å; L33-T36 WeakPolarHBondContact CA-OG1 3.46Å; L33-T36 PolarHBondContact O-N 3.36Å; L33-T36 VanDerWaalsContact O-N 3.13Å; L33-T36 PolarHBondContact O-OG1 2.93Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 2.97Å; T36-K38 PolarHBondContact O-N 2.88Å
37M75.4Confident72Confident107 Ų107106.5 Ų106.553%0.52761%0.609SS.*SBendtrans-65.8128.2172.5-75.5173.424.600109L33 L34 T39L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.38Å; L34-M37 HydrophobicContact CD2-CE 3.96Å; L34-M37 HydrophobicContact CD2-SD 3.91Å; L34-M37 WeakPolarHBondContact O-CB 3.42Å; L34-M37 PolarHBondContact O-N 3.02Å; M37-T39 PolarHBondContact O-N 3.44Å
38K74.5Confident69.8Low156 Ų156104.8 Ų104.868%0.67861%0.608SS**PPolyproline II helixtrans-52.2120.7173-172179.4175.2-170.90107.7T36 P40 D41T36-K38 PolarHBondContact O-N 2.88Å; K38-P40 VanDerWaalsContact O-N 3.13Å; K38-D41 WeakPolarHBondContact CE-OD2 3.35Å; K38-D41 IonicContact NZ-OD2 2.83Å; K38-D41 PolarHBondContact NZ-OD2 3.48Å
39T68.2Low67.3Low109 Ų109111.4 Ų111.467%0.66963%0.625SS**PPolyproline II helixtrans-51.5124.9169.247.60000106.2M37 D41M37-T39 PolarHBondContact O-N 3.44Å; T39-D41 PolarHBondContact O-N 3.35Å
40P66.3Low65Low86 Ų86111.5 Ų111.556%0.55863%0.629SS**PPolyproline II helixtrans-50.9124.6177.517.7-28.5000106.7K38 W42K38-P40 VanDerWaalsContact O-N 3.13Å; P40-W42 HydrophobicContact CG-CZ2 4.25Å; P40-W42 PolarHBondContact O-N 3.01Å
41D59.3Low62.7Low117 Ų117110.6 Ų110.663%0.62664%0.636SS**  trans-64.983.8166.8-65.6-32.4000103.7K38 T39 S43K38-D41 WeakPolarHBondContact CE-OD2 3.35Å; K38-D41 IonicContact NZ-OD2 2.83Å; K38-D41 PolarHBondContact NZ-OD2 3.48Å; T39-D41 PolarHBondContact O-N 3.35Å; D41-S43 PolarHBondContact O-N 3.01Å
42W57.2Low60.4Low210 Ų210117.2 Ų117.280%0.79565%0.654SS**  trans-5897.4154.4-57.7100.5000101.2P40 H44P40-W42 HydrophobicContact CG-CZ2 4.25Å; P40-W42 PolarHBondContact O-N 3.01Å; W42-H44 VanDerWaalsContact C-N 3.35Å; W42-H44 PolarHBondContact O-N 3.48Å
43S55.2Low58.4Low102 Ų102120.6 Ų120.671%0.71366%0.662SS**  trans-42.3118.9162.353.80000102.7D41 G45D41-S43 PolarHBondContact O-N 3.01Å; S43-G45 PolarHBondContact O-N 3.23Å
44H49.9Very low56.3Low195 Ų195122.3 Ų122.390%0.90367%0.672SS**  trans-62.169.6159.1-70.9-97.1000103.7W42 S46W42-H44 VanDerWaalsContact C-N 3.35Å; W42-H44 PolarHBondContact O-N 3.48Å; H44-S46 PolarHBondContact O-N 3.43Å
45G46.5Very low54.9Low41 Ų41123.5 Ų123.542%0.42368%0.677SS.*  trans-55.9109.5168.80000099.8S43 P47S43-G45 PolarHBondContact O-N 3.23Å; G45-P47 VanDerWaalsContact O-N 3.15Å
46S45.4Very low53.4Low82 Ų82122.2 Ų122.257%0.57366%0.661SS**  trans-39.1129.7169.2-164.50000105.6H44 A48H44-S46 PolarHBondContact O-N 3.43Å; S46-A48 CarbonylContact O-C 3.19Å; S46-A48 PolarHBondContact O-N 2.87Å
47P51.3Low51.9Low141 Ų141121 Ų12192%0.91665%0.654SS**SBendtrans-58.4-3.7-175.518.3-29.1000113.1G45G45-P47 VanDerWaalsContact O-N 3.15Å
48A42.9Very low50.8Low52 Ų52117.8 Ų117.843%0.4364%0.642SS.*SBendtrans-95.3121.9160.200000110.7S46S46-A48 CarbonylContact O-C 3.19Å; S46-A48 PolarHBondContact O-N 2.87Å
49F38.8Very low49.5Very low200 Ų200112.8 Ų112.888%0.87763%0.625SS**  trans94.732.4168.1-52.8-82.4000118.6G51F49-G51 PolarHBondContact O-N 3.33Å
50I43.1Very low48.7Very low137 Ų137111.2 Ų111.270%0.70362%0.615SS**SBendtrans-67.296.9136.5-61.1173.7000104.4K52I50-K52 VanDerWaalsContact C-N 3.35Å; I50-K52 PolarHBondContact O-N 2.9Å
51G41.5Very low48Very low49 Ų49110.2 Ų110.251%0.50561%0.607SS.*  trans-55.597.6-175.100000110.2F49 H53F49-G51 PolarHBondContact O-N 3.33Å; G51-H53 PolarHBondContact O-CD2 2.98Å; G51-H53 PolarHBondContact O-N 3.32Å
52K40.6Very low47.7Very low191 Ų191109.9 Ų109.983%0.8361%0.609SS**SBendtrans33.618.8162.6-71.5-174.1177.5-179.50119.2I50 N54I50-K52 VanDerWaalsContact C-N 3.35Å; I50-K52 PolarHBondContact O-N 2.9Å; K52-N54 PolarHBondContact O-N 2.98Å
53H44.8Very low47.5Very low150 Ų150105 Ų10569%0.69460%0.599SS**  trans-8085.4161.9-63.9-65.1000104.2G51 I55G51-H53 PolarHBondContact O-CD2 2.98Å; G51-H53 PolarHBondContact O-N 3.32Å; H53-I55 HydrophobicContact CB-CG1 4.16Å; H53-I55 PolarHBondContact O-N 3.14Å
54N42.5Very low47.4Very low143 Ų143106.5 Ų106.577%0.76561%0.609SS**  trans-58.577.8162.9-70.4-30.7000106.7K52 V56K52-N54 PolarHBondContact O-N 2.98Å; N54-V56 PolarHBondContact O-N 3.33Å
55I50.2Low47.6Very low138 Ų138100.6 Ų100.671%0.70860%0.602SS**  trans-74.680169.5-57.8172.1000104.1H53H53-I55 HydrophobicContact CB-CG1 4.16Å; H53-I55 PolarHBondContact O-N 3.14Å
56V48.9Very low47.7Very low59 Ų59103.6 Ų103.636%0.35861%0.608SS.*  trans-57.5127.9165.6-176.60000104.9N54 C58 P73N54-V56 PolarHBondContact O-N 3.33Å; V56-C58 PolarHBondContact O-N 3.31Å; V56-C58 PolarHBondContact O-SG 3.45Å; V56-P73 HydrophobicContact CB-CB 4.21Å; V56-P73 HydrophobicContact CG1-CB 3.73Å
57P47.9Very low48.2Very low76 Ų76105.6 Ų105.649%0.49462%0.622SS.*  trans-52.3138.5175.718.8-28.4000107.9P73 Y74P57-P73 CarbonylContact O-C 3.36Å; P57-Y74 VanDerWaalsContact C-CD2 3.49Å; P57-Y74 HydrophobicContact CB-CD2 3.87Å; P57-Y74 HydrophobicContact CG-CD2 4.48Å; P57-Y74 WeakPolarHBondContact O-CB 3.46Å; P57-Y74 WeakPolarHBondContact O-CD2 3.33Å; P57-Y74 PolarHBondContact O-N 2.91Å
58C50.9Low48.2Very low39 Ų39102.5 Ų102.526%0.26460%0.601SS.*EExtended strand (participates in β ladder)trans-125.2148.8-179.8-42.90000112.3V56 M71 Y72 Y74V56-C58 PolarHBondContact O-N 3.31Å; V56-C58 PolarHBondContact O-SG 3.45Å; C58-M71 HydrophobicContact CB-CB 4.42Å; C58-M71 HydrophobicContact CB-CE 3.5Å; C58-M71 VanDerWaalsContact CB-CE 3.5Å; C58-M71 HydrophobicContact CB-CG 3.13Å; C58-M71 HydrophobicContact CB-SD 4.07Å; C58-M71 WeakPolarHBondContact SG-CE 3.36Å; C58-M71 VanDerWaalsContact SG-CG 3.56Å; C58-Y72 CarbonylContact C-O 3.58Å; C58-Y72 WeakPolarHBondContact CA-O 3.41Å; C58-Y72 VanDerWaalsContact CB-O 3.29Å; C58-Y72 WeakPolarHBondContact CB-O 3.3Å; C58-Y74 VanDerWaalsContact C-CE2 3.43Å
59T48.4Very low48.4Very low51 Ų51105.9 Ų105.931%0.31361%0.611SS.*EExtended strand (participates in β ladder)trans-86.9122.3164.5-47.50000109T61 M71 Y72 Y74T59-T61 HydrophobicContact CG2-CG2 4.47Å; T59-M71 CarbonylContact O-C 3.6Å; T59-M71 WeakPolarHBondContact O-CA 3.47Å; T59-Y72 PolarHBondContact N-O 2.97Å; T59-Y72 PolarHBondContact O-N 3.33Å; T59-Y74 WeakPolarHBondContact OG1-CE1 3.41Å; T59-Y74 WeakPolarHBondContact OG1-CE2 3.28Å; T59-Y74 PolarHBondContact OG1-OH 3.31Å
60V52Low49.1Very low76 Ų76102 Ų10246%0.46159%0.594SS.*EExtended strand (participates in β ladder)trans-94.6119.4171.9-176.90000108.1L69 K70 M71V60-L69 HydrophobicContact CG1-CB 4.34Å; V60-L69 HydrophobicContact CG1-CD2 3.83Å; V60-K70 WeakPolarHBondContact CA-O 3.34Å; V60-M71 HydrophobicContact CG2-CB 4.39Å; V60-M71 HydrophobicContact CG2-CG 4.03Å; V60-M71 HydrophobicContact CG2-SD 4.31Å
61T50.9Low49.3Very low65 Ų65100.9 Ų100.940%0.39959%0.587SS.*EExtended strand (participates in β ladder)trans-106.8119168.460.90000109T59 K70 Y72T59-T61 HydrophobicContact CG2-CG2 4.47Å; T61-K70 PolarHBondContact N-O 3.34Å; T61-K70 PolarHBondContact O-N 2.86Å; T61-Y72 HydrophobicContact CG2-CD2 4.48Å; T61-Y72 HydrophobicContact CG2-CE2 4.36Å; T61-Y72 WeakPolarHBondContact OG1-CE2 3.49Å
62T53.3Low49.7Very low110 Ų110104.3 Ų104.368%0.67559%0.585SS**EExtended strand (participates in β ladder)trans-76.8114.8165.241.30000108L69T62-L69 HydrophobicContact CG2-CD2 3.27Å
63N51.9Low50.3Low108 Ų10899.4 Ų99.458%0.57857%0.573SS**  trans-81.6118.5168.5-166.4-11.6000107.7G65 N66N63-G65 PolarHBondContact O-N 3.42Å; N63-N66 PolarHBondContact O-N 2.93Å; N63-N66 VanDerWaalsContact O-O 3.05Å
64S54.6Low50.3Low133 Ų13398.4 Ų98.493%0.9356%0.564SS**THydrogen-bonded Turntrans-66.70.9-174.4530000114.7
65G53.3Low50.8Low72 Ų7296.5 Ų96.574%0.74256%0.562SS**THydrogen-bonded Turntrans-109.4-5.317600000116.1N63N63-G65 PolarHBondContact O-N 3.42Å
66N49.3Very low50.4Low103 Ų10395.4 Ų95.455%0.55156%0.561SS**SBendtrans-153131.8179.4-156.4-8.2000109.6N63 T68N63-N66 PolarHBondContact O-N 2.93Å; N63-N66 VanDerWaalsContact O-O 3.05Å; N66-T68 PolarHBondContact O-N 3.47Å
67S55.3Low50Low125 Ų125103.3 Ų103.387%0.87459%0.586SS**SBendtrans-68.617.4-173.154.40000114.8
68T51.6Low49.7Very low76 Ų76103.2 Ų103.247%0.46659%0.588SS.*  trans-94.3108.7178.223.90000110.3N66 K70N66-T68 PolarHBondContact O-N 3.47Å; T68-K70 PolarHBondContact O-N 3.19Å
69L46.8Very low49Very low123 Ų123106.4 Ų106.464%0.64461%0.61SS**EExtended strand (participates in β ladder)trans-66.5121.2168.7-68.5170000109.1V60 T62V60-L69 HydrophobicContact CG1-CB 4.34Å; V60-L69 HydrophobicContact CG1-CD2 3.83Å; T62-L69 HydrophobicContact CG2-CD2 3.27Å
70K53.2Low48.5Very low119 Ų119112.2 Ų112.252%0.51763%0.631SS.*EExtended strand (participates in β ladder)trans-104.9126.6171.5-67.6-173.1179.6-176.80109.3V60 T61 T68 Y72V60-K70 WeakPolarHBondContact CA-O 3.34Å; T61-K70 PolarHBondContact N-O 3.34Å; T61-K70 PolarHBondContact O-N 2.86Å; T68-K70 PolarHBondContact O-N 3.19Å; K70-Y72 HydrophobicContact CB-CE2 4.07Å
71M47.3Very low47.6Very low113 Ų113119 Ų11956%0.55765%0.649SS**EExtended strand (participates in β ladder)trans-111119.6-177.2-170.3164.417900108.4C58 T59 V60C58-M71 HydrophobicContact CB-CB 4.42Å; C58-M71 HydrophobicContact CB-CE 3.5Å; C58-M71 VanDerWaalsContact CB-CE 3.5Å; C58-M71 HydrophobicContact CB-CG 3.13Å; C58-M71 HydrophobicContact CB-SD 4.07Å; C58-M71 WeakPolarHBondContact SG-CE 3.36Å; C58-M71 VanDerWaalsContact SG-CG 3.56Å; T59-M71 CarbonylContact O-C 3.6Å; T59-M71 WeakPolarHBondContact O-CA 3.47Å; V60-M71 HydrophobicContact CG2-CB 4.39Å; V60-M71 HydrophobicContact CG2-CG 4.03Å; V60-M71 HydrophobicContact CG2-SD 4.31Å
72Y51.3Low46.9Very low120 Ų120122.2 Ų122.247%0.47167%0.671SS.*EExtended strand (participates in β ladder)trans-109.3124.9-179.5-61.3-81000109.6C58 T59 T61 K70 Y74C58-Y72 CarbonylContact C-O 3.58Å; C58-Y72 WeakPolarHBondContact CA-O 3.41Å; C58-Y72 VanDerWaalsContact CB-O 3.29Å; C58-Y72 WeakPolarHBondContact CB-O 3.3Å; T59-Y72 PolarHBondContact N-O 2.97Å; T59-Y72 PolarHBondContact O-N 3.33Å; T61-Y72 HydrophobicContact CG2-CD2 4.48Å; T61-Y72 HydrophobicContact CG2-CE2 4.36Å; T61-Y72 WeakPolarHBondContact OG1-CE2 3.49Å; K70-Y72 HydrophobicContact CB-CE2 4.07Å; Y72-Y74 PolarHBondContact O-N 2.95Å
73P52.9Low46.1Very low88 Ų88124.5 Ų124.557%0.57168%0.678SS**EExtended strand (participates in β ladder)trans-62.3134.8176.525-31.7000110.2V56 P57 S75V56-P73 HydrophobicContact CB-CB 4.21Å; V56-P73 HydrophobicContact CG1-CB 3.73Å; P57-P73 CarbonylContact O-C 3.36Å; P73-S75 PolarHBondContact O-N 3.07Å; P73-S75 VanDerWaalsContact O-N 3.12Å
74Y44Very low45.4Very low130 Ų130128.3 Ų128.351%0.5169%0.692SS.*  trans-62.6113.7165.1-78.8-84.9000106.7P57 C58 T59 Y72 V76P57-Y74 VanDerWaalsContact C-CD2 3.49Å; P57-Y74 HydrophobicContact CB-CD2 3.87Å; P57-Y74 HydrophobicContact CG-CD2 4.48Å; P57-Y74 WeakPolarHBondContact O-CB 3.46Å; P57-Y74 WeakPolarHBondContact O-CD2 3.33Å; P57-Y74 PolarHBondContact O-N 2.91Å; C58-Y74 VanDerWaalsContact C-CE2 3.43Å; T59-Y74 WeakPolarHBondContact OG1-CE1 3.41Å; T59-Y74 WeakPolarHBondContact OG1-CE2 3.28Å; T59-Y74 PolarHBondContact OG1-OH 3.31Å; Y72-Y74 PolarHBondContact O-N 2.95Å; Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-V76 PolarHBondContact O-N 3.26Å
75S52.8Low44.4Very low102 Ų102127.8 Ų127.871%0.71368%0.683SS**  trans-62.1102.9164.853.20000107P73 Y77P73-S75 PolarHBondContact O-N 3.07Å; P73-S75 VanDerWaalsContact O-N 3.12Å; S75-Y77 PolarHBondContact O-N 2.83Å
76V43.1Very low43.7Very low116 Ų116134.3 Ų134.370%0.70369%0.691SS**  trans-56.3113.9165.9-172.20000104.6Y74 S78Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-V76 PolarHBondContact O-N 3.26Å; V76-S78 PolarHBondContact O-N 3.01Å
77Y40.5Very low43Very low224 Ų224138.1 Ų138.188%0.87870%0.703SS**  trans-65.580.6173.8-138.3-91.3000105.7S75 S79S75-Y77 PolarHBondContact O-N 2.83Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.47Å
78S40.5Very low42Very low75 Ų75140.7 Ų140.752%0.52470%0.701SS.*  trans-62.8107.3171.4-170.40000103.8V76 F80V76-S78 PolarHBondContact O-N 3.01Å; S78-F80 VanDerWaalsContact O-CD2 3.32Å; S78-F80 WeakPolarHBondContact O-CD2 3.47Å; S78-F80 PolarHBondContact O-N 2.93Å
79S36.8Very low41.4Very low105 Ų105142.1 Ų142.173%0.73471%0.712SS**  trans-63.685.2172.737.30000106.4Y77 R81Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.47Å; S79-R81 PolarHBondContact O-N 3.16Å
80F37.3Very low40.6Very low173 Ų173141.4 Ų141.476%0.75972%0.716SS**  trans-62.793.5169-85-88.1000106.4S78S78-F80 VanDerWaalsContact O-CD2 3.32Å; S78-F80 WeakPolarHBondContact O-CD2 3.47Å; S78-F80 PolarHBondContact O-N 2.93Å
81R32.1Very low39.7Very low219 Ų219143.9 Ų143.983%0.82673%0.734SS**  trans-55.3136.9159.6-72.3-169.1-175.9-133.43.8107.2S79 L83S79-R81 PolarHBondContact O-N 3.16Å; R81-L83 PolarHBondContact O-N 3.28Å
82P37.7Very low39.1Very low132 Ų132144.4 Ų144.486%0.85774%0.743SS**  trans-75.491.8-175.230.9-32000108.7
83L36.3Very low38.3Very low158 Ų158149.6 Ų149.683%0.82776%0.762SS**  trans-103.5110.4153.8-98.3140.7000105.7R81 T85R81-L83 PolarHBondContact O-N 3.28Å; L83-T85 PolarHBondContact O-N 2.58Å
84E36.5Very low37.6Very low189 Ų189153.4 Ų153.488%0.88377%0.772SS**SBendtrans-28104.3179.5-62.9177.8134.200113
85T34.8Very low37.1Very low121 Ų121154.8 Ų154.874%0.74278%0.783SS**  trans-172.9121.214516.20000109.3L83 F87L83-T85 PolarHBondContact O-N 2.58Å; T85-F87 PolarHBondContact O-N 3.19Å
86K36.9Very low36Very low209 Ų209155.6 Ų155.691%0.90979%0.787SS**  trans-65.992.3178.7-62.4-178.9179.3-178.40110.1
87F34.9Very low35.4Very low183 Ų183160.4 Ų160.480%0.80379%0.793SS**  trans-134.3102165.2-84.8-82.5000110.2T85 P89T85-F87 PolarHBondContact O-N 3.19Å; F87-P89 VanDerWaalsContact O-CD 3.27Å; F87-P89 WeakPolarHBondContact O-CD 2.91Å
88H34.2Very low35.4Very low179 Ų179157.3 Ų157.383%0.82979%0.79SS**  trans-55116.2167-100-90.7000109.5C90H88-C90 VanDerWaalsContact C-N 3.34Å; H88-C90 PolarHBondContact O-N 2.9Å
89P38.7Very low35.1Very low107 Ų107164.4 Ų164.470%0.69582%0.822SS**  trans-78.888.2172.429.9-28.5000108.6F87 L91F87-P89 VanDerWaalsContact O-CD 3.27Å; F87-P89 WeakPolarHBondContact O-CD 2.91Å; P89-L91 PolarHBondContact O-N 2.71Å
90C29.8Very low35Very low107 Ų107167.4 Ų167.472%0.72383%0.826SS**  trans-68.2102.9168.7-88.10000109.8H88 V92H88-C90 VanDerWaalsContact C-N 3.34Å; H88-C90 PolarHBondContact O-N 2.9Å; C90-V92 PolarHBondContact O-N 3.26Å; C90-V92 VanDerWaalsContact O-N 3.1Å
91L35.5Very low34.9Very low172 Ų172167.1 Ų167.190%0.90183%0.83SS**  trans-13.397153.7-67.7156.7000114.3P89 R93P89-L91 PolarHBondContact O-N 2.71Å; L91-R93 PolarHBondContact O-N 2.85Å
92V34.3Very low35Very low124 Ų124164.2 Ų164.275%0.75283%0.83SS**  trans-84.3102.3166.6-177.20000107.8C90 Q94C90-V92 PolarHBondContact O-N 3.26Å; C90-V92 VanDerWaalsContact O-N 3.1Å; V92-Q94 PolarHBondContact O-N 3Å; V92-Q94 VanDerWaalsContact O-N 3.09Å
93R35.2Very low34.9Very low228 Ų228166.1 Ų166.186%0.8683%0.828SS**  trans-52.5107.3164.5-82.4178.7168.8-170.5-1.9108.9L91L91-R93 PolarHBondContact O-N 2.85Å
94Q37.6Very low34.8Very low169 Ų169166.6 Ų166.679%0.7983%0.829SS**  trans-109.1105.8159-87.4-177.4-7.100108.2V92 C96V92-Q94 PolarHBondContact O-N 3Å; V92-Q94 VanDerWaalsContact O-N 3.09Å; Q94-C96 PolarHBondContact O-N 2.99Å; Q94-C96 VanDerWaalsContact O-N 3.15Å
95E33.3Very low34.7Very low159 Ų159165.1 Ų165.174%0.74383%0.825SS**  trans-69.998.5170.9-69-178.7164.200108.4R97E95-R97 PolarHBondContact O-N 3.02Å
96C30Very low34.7Very low118 Ų118168.2 Ų168.280%0.79783%0.831SS**  trans-71.6100169.9-69.60000108.7Q94Q94-C96 PolarHBondContact O-N 2.99Å; Q94-C96 VanDerWaalsContact O-N 3.15Å
97R30.4Very low34.5Very low218 Ų218165.1 Ų165.182%0.82383%0.825SS**  trans-72.4124.6166.5-79.6-174.9178.2-179.8-0.7109.1E95E95-R97 PolarHBondContact O-N 3.02Å
98I39.7Very low34.5Very low158 Ų158163.6 Ų163.681%0.8183%0.827SS**  trans-82112.3167.7-59.3169.4000105.8
99N34.9Very low34.5Very low224 Ų224162.2 Ų162.2100%1.19883%0.826SS**  trans-85.50161.4-79.7-15.7000109

Retrieved 99 of 99 residues in 81.8 ms (Link to these results)