A0A3Q0KSR9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KSR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 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
1M53.3Low76Confident229 Ų229130.7 Ų130.7100%1.12866%0.661SS**  057.60-69.1173.5173.600109.8
2T63.5Low77.3Confident117 Ų117131.8 Ų131.872%0.71866%0.658SS**  trans-124.7-0.4-174.437.90000113.3
3L62.4Low78.5Confident129 Ų129130.5 Ų130.568%0.67565%0.645SS**Hα-helixtrans-75-37.1-179.2-75.9157.8000111.8A5 Q6 D7L3-A5 VanDerWaalsContact C-N 3.3Å; L3-A5 PolarHBondContact O-N 3.14Å; L3-Q6 PolarHBondContact O-N 3.27Å; L3-Q6 VanDerWaalsContact O-N 3.12Å; L3-D7 PolarHBondContact O-N 3.47Å; L3-D7 VanDerWaalsContact O-N 3.1Å
4D76.4Confident79.6Confident119 Ų119128.6 Ų128.664%0.63663%0.634SS**Hα-helixtrans-61.3-36.4-177.5-52.6-29.3000113D7 E8D4-D7 PolarHBondContact O-N 3.39Å; D4-E8 PolarHBondContact O-N 2.94Å
5A78.8Confident80.6Confident67 Ų67126.5 Ų126.555%0.55463%0.626SS**Hα-helixtrans-71.3-32.1178.800000113L3 Y9L3-A5 VanDerWaalsContact C-N 3.3Å; L3-A5 PolarHBondContact O-N 3.14Å; A5-Y9 WeakPolarHBondContact O-CB 3.43Å; A5-Y9 PolarHBondContact O-N 3.45Å; A5-Y9 VanDerWaalsContact O-N 3.14Å
6Q78.6Confident81.5Confident145 Ų145124.4 Ų124.468%0.67862%0.617SS**Hα-helixtrans-72.7-39.5174.7-77.1-133.9-49.600111.4L3 Y9 K10L3-Q6 PolarHBondContact O-N 3.27Å; L3-Q6 VanDerWaalsContact O-N 3.12Å; Q6-Y9 PolarHBondContact O-N 3.1Å; Q6-K10 WeakPolarHBondContact O-CB 3.35Å; Q6-K10 PolarHBondContact O-N 2.98Å
7D80.6Confident82.4Confident102 Ų102123.7 Ų123.755%0.54561%0.612SS.*Hα-helixtrans-67.5-41.1176.7-80.7-19.5000111.7L3 D4 Y9 K10 M11L3-D7 PolarHBondContact O-N 3.47Å; L3-D7 VanDerWaalsContact O-N 3.1Å; D4-D7 PolarHBondContact O-N 3.39Å; D7-Y9 PolarHBondContact O-N 3.12Å; D7-K10 PolarHBondContact O-N 3.24Å; D7-M11 WeakPolarHBondContact O-CB 3.37Å; D7-M11 PolarHBondContact O-N 3.08Å
8E81.8Confident83.2Confident134 Ų134121.9 Ų121.963%0.62661%0.605SS**Hα-helixtrans-60.1-44.5171.9-83.4-164.8158.800112.3D4 K10 M11 K12D4-E8 PolarHBondContact O-N 2.94Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 3.35Å; E8-M11 PolarHBondContact O-N 3.47Å; E8-K12 WeakPolarHBondContact O-CG 3.39Å; E8-K12 PolarHBondContact O-N 3.01Å
9Y87.6Confident83.9Confident173 Ų173124.2 Ų124.268%0.67861%0.607SS**Hα-helixtrans-62.1-41.8178.1178.7-99.6000111.8A5 Q6 D7 K13A5-Y9 WeakPolarHBondContact O-CB 3.43Å; A5-Y9 PolarHBondContact O-N 3.45Å; A5-Y9 VanDerWaalsContact O-N 3.14Å; Q6-Y9 PolarHBondContact O-N 3.1Å; D7-Y9 PolarHBondContact O-N 3.12Å; Y9-K13 PolarHBondContact O-N 3.31Å; Y9-K13 VanDerWaalsContact O-N 3.08Å
10K87.9Confident84.5Confident121 Ų121124.2 Ų124.253%0.52660%0.603SS.*Hα-helixtrans-63.8-46.3177-171.3-177174.4-160.50111.1Q6 D7 E8 K12 K13 E14Q6-K10 WeakPolarHBondContact O-CB 3.35Å; Q6-K10 PolarHBondContact O-N 2.98Å; D7-K10 PolarHBondContact O-N 3.24Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 3.35Å; K10-K12 PolarHBondContact O-N 3.45Å; K10-K13 WeakPolarHBondContact O-CB 3.39Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-K13 VanDerWaalsContact O-N 3.12Å; K10-E14 VanDerWaalsContact CE-OE1 3.29Å; K10-E14 WeakPolarHBondContact CE-OE1 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.41Å; K10-E14 PolarHBondContact O-N 3.12Å
11M85.5Confident85.1Confident102 Ų102125.7 Ų125.750%0.50260%0.603SS.*Hα-helixtrans-63.3-42.2179.8-162.6-96.6-7200111.6D7 E8 K13 E14 D15D7-M11 WeakPolarHBondContact O-CB 3.37Å; D7-M11 PolarHBondContact O-N 3.08Å; E8-M11 PolarHBondContact O-N 3.47Å; M11-K13 VanDerWaalsContact C-N 3.3Å; M11-K13 PolarHBondContact O-N 2.94Å; M11-E14 PolarHBondContact O-N 3.35Å; M11-D15 PolarHBondContact O-N 2.89Å
12K90.8Very high87.1Confident144 Ų144118.8 Ų118.863%0.62657%0.569SS**Hα-helixtrans-61.3-37172.8-71.3-138.5178.5-176.20113.3E8 K10 I16E8-K12 WeakPolarHBondContact O-CG 3.39Å; E8-K12 PolarHBondContact O-N 3.01Å; K10-K12 PolarHBondContact O-N 3.45Å; K12-I16 WeakPolarHBondContact O-CD1 3.42Å; K12-I16 WeakPolarHBondContact O-CG1 3.19Å; K12-I16 PolarHBondContact O-N 2.9Å; K12-I16 VanDerWaalsContact O-N 3.08Å
13K93.3Very high88.6Confident114 Ų114120.1 Ų120.150%0.49656%0.561SS.*Hα-helixtrans-66.8-42.5177.7-170.2-174.4173.4-167.30111.2Y9 K10 M11 I16 E17Y9-K13 PolarHBondContact O-N 3.31Å; Y9-K13 VanDerWaalsContact O-N 3.08Å; K10-K13 WeakPolarHBondContact O-CB 3.39Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-K13 VanDerWaalsContact O-N 3.12Å; M11-K13 VanDerWaalsContact C-N 3.3Å; M11-K13 PolarHBondContact O-N 2.94Å; K13-I16 PolarHBondContact O-N 2.86Å; K13-E17 WeakPolarHBondContact CE-OE1 3.29Å; K13-E17 PolarHBondContact O-N 3Å
14E93.7Very high90.1Very high104 Ų104121 Ų12149%0.48656%0.556SS.*Hα-helixtrans-62.5-44.3176.8-70.5173.2-176.900111.3K10 M11 I16 E17 L18K10-E14 VanDerWaalsContact CE-OE1 3.29Å; K10-E14 WeakPolarHBondContact CE-OE1 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.41Å; K10-E14 PolarHBondContact O-N 3.12Å; M11-E14 PolarHBondContact O-N 3.35Å; E14-I16 PolarHBondContact O-N 3.23Å; E14-E17 PolarHBondContact O-N 3.44Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 3.36Å
15D94.5Very high90.9Very high97 Ų97120.2 Ų120.252%0.51955%0.548SS..Hα-helixtrans-60.3-43175.1-98.76.2000112.5M11 E17 L18 Y19M11-D15 PolarHBondContact O-N 2.89Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 3.08Å; D15-L18 PolarHBondContact O-N 3.37Å; D15-Y19 WeakPolarHBondContact O-CB 3.39Å; D15-Y19 PolarHBondContact O-N 3.49Å
16I95.9Very high91.5Very high94 Ų94120 Ų12048%0.48254%0.54SS..Hα-helixtrans-64.2-40.8177.2-69.9164.6000110.9K12 K13 E14 K20K12-I16 WeakPolarHBondContact O-CD1 3.42Å; K12-I16 WeakPolarHBondContact O-CG1 3.19Å; K12-I16 PolarHBondContact O-N 2.9Å; K12-I16 VanDerWaalsContact O-N 3.08Å; K13-I16 PolarHBondContact O-N 2.86Å; E14-I16 PolarHBondContact O-N 3.23Å; I16-K20 HydrophobicContact CG2-CD 4.29Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.25Å; I16-K20 PolarHBondContact O-N 3.38Å; I16-K20 VanDerWaalsContact O-N 3.07Å
17E96.2Very high92.2Very high112 Ų112117.5 Ų117.552%0.52353%0.528SS..Hα-helixtrans-67.8-40.5177.2-77.6-176.3-171.800111.8K13 E14 D15 K20 R21K13-E17 WeakPolarHBondContact CE-OE1 3.29Å; K13-E17 PolarHBondContact O-N 3Å; E14-E17 PolarHBondContact O-N 3.44Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 3.08Å; E17-K20 PolarHBondContact O-N 3.48Å; E17-R21 PolarHBondContact O-N 2.99Å
18L96.4Very high92.5Very high92 Ų92119.1 Ų119.148%0.48253%0.532SS..Hα-helixtrans-61.3-47.7174.9-178.461.2000111.1E14 D15 K20 R21 I22E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 3.36Å; D15-L18 PolarHBondContact O-N 3.37Å; L18-K20 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.14Å; L18-R21 PolarHBondContact O-N 3.37Å; L18-R21 VanDerWaalsContact O-N 3.14Å; L18-I22 HydrophobicContact CD1-CD1 3.99Å; L18-I22 HydrophobicContact CD1-CG1 4.29Å; L18-I22 HydrophobicContact CG-CD1 3.87Å; L18-I22 WeakPolarHBondContact O-CG1 3.31Å; L18-I22 PolarHBondContact O-N 2.75Å
19Y96.9Very high92.7Very high165 Ų165120.2 Ų120.265%0.64754%0.538SS*.Hα-helixtrans-59.5-42.4177.4-170.1-92.3000112D15 R21 I22 R23D15-Y19 WeakPolarHBondContact O-CB 3.39Å; D15-Y19 PolarHBondContact O-N 3.49Å; Y19-R21 PolarHBondContact O-N 3.07Å; Y19-I22 PolarHBondContact O-N 2.89Å; Y19-R23 VanDerWaalsContact O-CB 3.25Å; Y19-R23 WeakPolarHBondContact O-CB 3.45Å; Y19-R23 PolarHBondContact O-N 2.94Å
20K96.7Very high92.5Very high124 Ų124120.2 Ų120.254%0.53954%0.541SS..Hα-helixtrans-63.8-37.9176.2-75.7173.3-178176.10112.7I16 E17 L18 R24I16-K20 HydrophobicContact CG2-CD 4.29Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.25Å; I16-K20 PolarHBondContact O-N 3.38Å; I16-K20 VanDerWaalsContact O-N 3.07Å; E17-K20 PolarHBondContact O-N 3.48Å; L18-K20 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.14Å; K20-R24 WeakPolarHBondContact O-CB 3.29Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-R24 VanDerWaalsContact O-N 3.17Å
21R96.3Very high92Very high156 Ų156121.9 Ų121.959%0.58955%0.553SS**Hα-helixtrans-66-52.4176.2176.4-179-107.9164.2-4.4110.5E17 L18 Y19 R23 R24 E25E17-R21 PolarHBondContact O-N 2.99Å; L18-R21 PolarHBondContact O-N 3.37Å; L18-R21 VanDerWaalsContact O-N 3.14Å; Y19-R21 PolarHBondContact O-N 3.07Å; R21-R23 VanDerWaalsContact C-N 3.31Å; R21-R23 PolarHBondContact O-N 3.47Å; R21-R24 WeakPolarHBondContact O-CB 3.26Å; R21-R24 PolarHBondContact O-N 3.25Å; R21-E25 WeakPolarHBondContact CG-OE1 3.42Å; R21-E25 PolarHBondContact O-N 3.3Å
22I96Very high91Very high83 Ų83120.4 Ų120.443%0.42656%0.557SS.*Hα-helixtrans-58.3-46179.9-66.2169.4000110.1L18 Y19 R24 E25 V26L18-I22 HydrophobicContact CD1-CD1 3.99Å; L18-I22 HydrophobicContact CD1-CG1 4.29Å; L18-I22 HydrophobicContact CG-CD1 3.87Å; L18-I22 WeakPolarHBondContact O-CG1 3.31Å; L18-I22 PolarHBondContact O-N 2.75Å; Y19-I22 PolarHBondContact O-N 2.89Å; I22-R24 VanDerWaalsContact C-N 3.28Å; I22-R24 PolarHBondContact O-N 3.34Å; I22-E25 PolarHBondContact O-N 3.48Å; I22-V26 HydrophobicContact CG2-CG2 4.17Å; I22-V26 WeakPolarHBondContact O-CB 3.4Å; I22-V26 VanDerWaalsContact O-CG2 3.26Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 3.06Å
23R94.7Very high90Very high145 Ų145123.4 Ų123.455%0.54757%0.57SS.*Hα-helixtrans-56.2-42.5176.6178.4176.3173.1177.90.1112.2Y19 R21 E27Y19-R23 VanDerWaalsContact O-CB 3.25Å; Y19-R23 WeakPolarHBondContact O-CB 3.45Å; Y19-R23 PolarHBondContact O-N 2.94Å; R21-R23 VanDerWaalsContact C-N 3.31Å; R21-R23 PolarHBondContact O-N 3.47Å; R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 IonicContact CZ-OE1 3.76Å; R23-E27 IonicContact NE-OE1 2.75Å; R23-E27 PolarHBondContact NE-OE1 2.82Å; R23-E27 IonicContact NH2-OE1 3.3Å; R23-E27 PolarHBondContact NH2-OE1 2.8Å; R23-E27 VanDerWaalsContact O-CB 3.32Å; R23-E27 WeakPolarHBondContact O-CB 3.32Å; R23-E27 VanDerWaalsContact O-CG 3.27Å; R23-E27 WeakPolarHBondContact O-CG 3.46Å; R23-E27 PolarHBondContact O-N 2.99Å
24R94.5Very high89Confident149 Ų149123 Ų12356%0.56258%0.582SS**Hα-helixtrans-68.9-40.9-179.5-165.3-171.4-54.1137.35.9112.2K20 R21 I22 E27 Q28K20-R24 WeakPolarHBondContact O-CB 3.29Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-R24 VanDerWaalsContact O-N 3.17Å; R21-R24 WeakPolarHBondContact O-CB 3.26Å; R21-R24 PolarHBondContact O-N 3.25Å; I22-R24 VanDerWaalsContact C-N 3.28Å; I22-R24 PolarHBondContact O-N 3.34Å; R24-E27 PolarHBondContact O-N 2.81Å; R24-Q28 WeakPolarHBondContact O-CB 3.43Å; R24-Q28 PolarHBondContact O-N 2.86Å
25E92.8Very high88.2Confident102 Ų102126.2 Ų126.248%0.47760%0.596SS.*Hα-helixtrans-64-45.9176-74.1170.8-169.900110.6R21 I22 Q28 E29R21-E25 WeakPolarHBondContact CG-OE1 3.42Å; R21-E25 PolarHBondContact O-N 3.3Å; I22-E25 PolarHBondContact O-N 3.48Å; E25-Q28 PolarHBondContact O-N 3.01Å; E25-E29 PolarHBondContact O-N 3.19Å
26V91.8Very high87.7Confident63 Ų63127.5 Ų127.538%0.38261%0.61SS.*Hα-helixtrans-61.4-47.7174.5172.90000110.9I22 Q28 E29 F30I22-V26 HydrophobicContact CG2-CG2 4.17Å; I22-V26 WeakPolarHBondContact O-CB 3.4Å; I22-V26 VanDerWaalsContact O-CG2 3.26Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 3.06Å; V26-Q28 VanDerWaalsContact C-N 3.27Å; V26-Q28 PolarHBondContact O-N 3.17Å; V26-E29 PolarHBondContact O-N 2.9Å; V26-F30 HydrophobicContact CG1-CD2 3.56Å; V26-F30 HydrophobicContact CG1-CE2 3.76Å; V26-F30 WeakPolarHBondContact O-CB 3.24Å; V26-F30 VanDerWaalsContact O-CD2 3.29Å; V26-F30 WeakPolarHBondContact O-CD2 3.37Å; V26-F30 PolarHBondContact O-N 3.32Å
27E91.2Very high87.2Confident91 Ų91127.8 Ų127.843%0.42562%0.616SS.*Hα-helixtrans-59.3-37.6176.2-77.8172.7176.700111.6R23 R24 M31R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 IonicContact CZ-OE1 3.76Å; R23-E27 IonicContact NE-OE1 2.75Å; R23-E27 PolarHBondContact NE-OE1 2.82Å; R23-E27 IonicContact NH2-OE1 3.3Å; R23-E27 PolarHBondContact NH2-OE1 2.8Å; R23-E27 VanDerWaalsContact O-CB 3.32Å; R23-E27 WeakPolarHBondContact O-CB 3.32Å; R23-E27 VanDerWaalsContact O-CG 3.27Å; R23-E27 WeakPolarHBondContact O-CG 3.46Å; R23-E27 PolarHBondContact O-N 2.99Å; R24-E27 PolarHBondContact O-N 2.81Å; E27-M31 WeakPolarHBondContact O-CB 3.47Å; E27-M31 VanDerWaalsContact O-CG 3.24Å; E27-M31 WeakPolarHBondContact O-CG 3.44Å; E27-M31 PolarHBondContact O-N 2.92Å
28Q88.3Confident86.9Confident137 Ų137126.5 Ų126.564%0.6461%0.613SS**Hα-helixtrans-69.3-37.4175.2-86.5-179-22.400113.6R24 E25 V26R24-Q28 WeakPolarHBondContact O-CB 3.43Å; R24-Q28 PolarHBondContact O-N 2.86Å; E25-Q28 PolarHBondContact O-N 3.01Å; V26-Q28 VanDerWaalsContact C-N 3.27Å; V26-Q28 PolarHBondContact O-N 3.17Å
29E85.6Confident86.7Confident157 Ų157132 Ų13273%0.73463%0.629SS**Hα-helixtrans-69.2-39.4174.3-74.4-173.2167.900111.9E25 V26E25-E29 PolarHBondContact O-N 3.19Å; V26-E29 PolarHBondContact O-N 2.9Å
30F82.7Confident86.4Confident173 Ų173131.4 Ų131.476%0.75963%0.625SS**Hα-helixtrans-78.5-21.4178-85.3-86.2000113.6V26 A32V26-F30 HydrophobicContact CG1-CD2 3.56Å; V26-F30 HydrophobicContact CG1-CE2 3.76Å; V26-F30 WeakPolarHBondContact O-CB 3.24Å; V26-F30 VanDerWaalsContact O-CD2 3.29Å; V26-F30 WeakPolarHBondContact O-CD2 3.37Å; V26-F30 PolarHBondContact O-N 3.32Å; F30-A32 PolarHBondContact O-N 3.2Å
31M78.1Confident86.2Confident155 Ų155128.7 Ų128.776%0.76462%0.622SS**SBendtrans-70.166.8157.1-72.3-162.3107.900108.3E27 K33E27-M31 WeakPolarHBondContact O-CB 3.47Å; E27-M31 VanDerWaalsContact O-CG 3.24Å; E27-M31 WeakPolarHBondContact O-CG 3.44Å; E27-M31 PolarHBondContact O-N 2.92Å; M31-K33 PolarHBondContact O-N 2.6Å
32A65Low85.9Confident71 Ų71126 Ų12659%0.58762%0.623SS**  trans-45.3136.6165.500000107.3F30 S34F30-A32 PolarHBondContact O-N 3.2Å; A32-S34 PolarHBondContact O-N 3.31Å
33K70.2Confident85.7Confident208 Ų208126.6 Ų126.690%0.90463%0.63SS**  trans-56.481.1171.6-75.4174.2178.9173.30107.9M31 E35M31-K33 PolarHBondContact O-N 2.6Å; K33-E35 PolarHBondContact O-N 3.11Å
34S70.8Confident85.3Confident106 Ų106126.2 Ų126.274%0.74163%0.632SS**  trans-70.9106.6-179.9580000104.3A32A32-S34 PolarHBondContact O-N 3.31Å
35E77.9Confident85Confident170 Ų170122.6 Ų122.679%0.79463%0.627SS**PPolyproline II helixtrans-53.5137.1167.6-66.2-172.6171.200107.6K33 V37K33-E35 PolarHBondContact O-N 3.11Å; E35-V37 PolarHBondContact O-N 2.99Å; E35-V37 VanDerWaalsContact O-N 3.11Å
36P83.2Confident84.8Confident124 Ų124122.6 Ų122.681%0.80563%0.63SS**PPolyproline II helixtrans-56.3124.4179.223-31.9000108.7D38P36-D38 PolarHBondContact O-N 3.21Å
37V86Confident84.5Confident100 Ų100127 Ų12761%0.60664%0.644SS**PPolyproline II helixtrans-63.9120.9179.9178.70000108.6E35 Y39E35-V37 PolarHBondContact O-N 2.99Å; E35-V37 VanDerWaalsContact O-N 3.11Å; V37-Y39 HydrophobicContact CB-CE2 4.04Å; V37-Y39 HydrophobicContact CG1-CD1 4.44Å; V37-Y39 HydrophobicContact CG1-CE1 4.06Å; V37-Y39 HydrophobicContact CG1-CE2 4.17Å; V37-Y39 VanDerWaalsContact O-CD2 3.25Å; V37-Y39 WeakPolarHBondContact O-CD2 3.26Å; V37-Y39 WeakPolarHBondContact O-CE2 3.2Å; V37-Y39 PolarHBondContact O-N 2.79Å
38D89.2Confident83.8Confident86 Ų86127.3 Ų127.346%0.4665%0.646SS.*  trans-79.4113.8172.8-161.9-14.1000109.8P36 R40P36-D38 PolarHBondContact O-N 3.21Å; D38-R40 VanDerWaalsContact C-N 3.32Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 VanDerWaalsContact OD1-CG 3.26Å; D38-R40 WeakPolarHBondContact OD1-CG 3.25Å; D38-R40 IonicContact OD1-CZ 3.08Å; D38-R40 PolarHBondContact OD1-N 3.29Å; D38-R40 IonicContact OD1-NE 2.8Å; D38-R40 PolarHBondContact OD1-NE 2.91Å; D38-R40 IonicContact OD1-NH2 2.93Å; D38-R40 IonicContact OD2-CZ 3.35Å; D38-R40 VanDerWaalsContact OD2-CZ 3.3Å; D38-R40 IonicContact OD2-NE 3.69Å; D38-R40 PolarHBondContact OD2-NE 3.41Å; D38-R40 VanDerWaalsContact OD2-NE 3.08Å; D38-R40 IonicContact OD2-NH2 3.18Å; D38-R40 PolarHBondContact OD2-NH2 2.9Å
39Y93.1Very high82.8Confident207 Ų207129.9 Ų129.981%0.81266%0.655SS**  trans-88.81.5177.2-65.1-81.1000113V37V37-Y39 HydrophobicContact CB-CE2 4.04Å; V37-Y39 HydrophobicContact CG1-CD1 4.44Å; V37-Y39 HydrophobicContact CG1-CE1 4.06Å; V37-Y39 HydrophobicContact CG1-CE2 4.17Å; V37-Y39 VanDerWaalsContact O-CD2 3.25Å; V37-Y39 WeakPolarHBondContact O-CD2 3.26Å; V37-Y39 WeakPolarHBondContact O-CE2 3.2Å; V37-Y39 PolarHBondContact O-N 2.79Å
40R90.2Very high82Confident152 Ų152129.6 Ų129.657%0.57466%0.658SS**  trans-72.7134.3176.8-66.7174.9-78.4-176.7-1109.4D38 V45D38-R40 VanDerWaalsContact C-N 3.32Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 VanDerWaalsContact OD1-CG 3.26Å; D38-R40 WeakPolarHBondContact OD1-CG 3.25Å; D38-R40 IonicContact OD1-CZ 3.08Å; D38-R40 PolarHBondContact OD1-N 3.29Å; D38-R40 IonicContact OD1-NE 2.8Å; D38-R40 PolarHBondContact OD1-NE 2.91Å; D38-R40 IonicContact OD1-NH2 2.93Å; D38-R40 IonicContact OD2-CZ 3.35Å; D38-R40 VanDerWaalsContact OD2-CZ 3.3Å; D38-R40 IonicContact OD2-NE 3.69Å; D38-R40 PolarHBondContact OD2-NE 3.41Å; D38-R40 VanDerWaalsContact OD2-NE 3.08Å; D38-R40 IonicContact OD2-NH2 3.18Å; D38-R40 PolarHBondContact OD2-NH2 2.9Å; R40-V45 HydrophobicContact CB-CG2 3.88Å
41S92Very high81.3Confident67 Ų67127.8 Ų127.847%0.46966%0.661SS.*  trans-68.5153.7171.363.40000110.3T43 K44 V45S41-T43 PolarHBondContact O-N 3.17Å; S41-K44 CarbonylContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-CA 3.28Å; S41-K44 WeakPolarHBondContact O-CA 3.08Å; S41-K44 PolarHBondContact O-N 2.8Å; S41-K44 PolarHBondContact OG-N 2.98Å; S41-V45 PolarHBondContact O-N 3.25Å
42V91.5Very high81.1Confident101 Ų101125.5 Ų125.561%0.61266%0.656SS**THydrogen-bonded Turntrans-51.7-39172.3-179.50000110.8K44 V45 D46V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 2.86Å; V42-V45 PolarHBondContact O-N 3.41Å; V42-D46 WeakPolarHBondContact CG1-OD2 3.28Å; V42-D46 PolarHBondContact O-N 3.21Å
43T90Very high81.4Confident94 Ų94133.8 Ų133.858%0.57767%0.672SS**Hα-helixtrans-61.1-35.4174.5-40.40000112.9S41 V45 F47 H48S41-T43 PolarHBondContact O-N 3.17Å; T43-V45 VanDerWaalsContact C-N 3.35Å; T43-F47 HydrophobicContact CG2-CD2 4.08Å; T43-F47 WeakPolarHBondContact O-CA 3.38Å; T43-F47 PolarHBondContact O-N 2.92Å; T43-H48 PolarHBondContact O-CE1 3.08Å; T43-H48 PolarHBondContact O-ND1 3.03Å
44K87.6Confident81.4Confident137 Ų137130.8 Ų130.860%0.59667%0.665SS**Hα-helixtrans-87.87.1174.6-171.3165.7179-176.40113.8S41 V42 H48S41-K44 CarbonylContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-CA 3.28Å; S41-K44 WeakPolarHBondContact O-CA 3.08Å; S41-K44 PolarHBondContact O-N 2.8Å; S41-K44 PolarHBondContact OG-N 2.98Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 2.86Å; K44-H48 WeakPolarHBondContact CA-CE1 3.24Å; K44-H48 PolarHBondContact O-CE1 3.44Å; K44-H48 PolarHBondContact O-NE2 3.21Å
45V88.8Confident81.8Confident74 Ų74130.5 Ų130.545%0.44866%0.663SS.*Hα-helixtrans-110.9-32.2163.9-178.50000113.1R40 S41 V42 T43 H48R40-V45 HydrophobicContact CB-CG2 3.88Å; S41-V45 PolarHBondContact O-N 3.25Å; V42-V45 PolarHBondContact O-N 3.41Å; T43-V45 VanDerWaalsContact C-N 3.35Å; V45-H48 WeakPolarHBondContact CA-CE1 3.09Å; V45-H48 WeakPolarHBondContact CA-NE2 3.19Å; V45-H48 PolarHBondContact N-CE1 3Å; V45-H48 PolarHBondContact N-NE2 3.41Å; V45-H48 PolarHBondContact O-NE2 3.07Å
46D87.8Confident81.8Confident102 Ų102128.3 Ų128.355%0.54566%0.663SS.*Hα-helixtrans-106.4-29.5-173.5-56.2-24000113.2V42 H48V42-D46 WeakPolarHBondContact CG1-OD2 3.28Å; V42-D46 PolarHBondContact O-N 3.21Å; D46-H48 PolarHBondContact N-CE1 3.43Å; D46-H48 PolarHBondContact O-N 2.84Å
47F85.9Confident81.4Confident154 Ų154133 Ų13368%0.67567%0.665SS**SBendtrans-75.4-0.8-172.942.1-165.9000118.5T43T43-F47 HydrophobicContact CG2-CD2 4.08Å; T43-F47 WeakPolarHBondContact O-CA 3.38Å; T43-F47 PolarHBondContact O-N 2.92Å
48H75.5Confident81.1Confident99 Ų99133.3 Ų133.346%0.45867%0.669SS.*  trans-111.575.6-173.48.9-53.7000105.4T43 K44 V45 D46 D50T43-H48 PolarHBondContact O-CE1 3.08Å; T43-H48 PolarHBondContact O-ND1 3.03Å; K44-H48 WeakPolarHBondContact CA-CE1 3.24Å; K44-H48 PolarHBondContact O-CE1 3.44Å; K44-H48 PolarHBondContact O-NE2 3.21Å; V45-H48 WeakPolarHBondContact CA-CE1 3.09Å; V45-H48 WeakPolarHBondContact CA-NE2 3.19Å; V45-H48 PolarHBondContact N-CE1 3Å; V45-H48 PolarHBondContact N-NE2 3.41Å; V45-H48 PolarHBondContact O-NE2 3.07Å; D46-H48 PolarHBondContact N-CE1 3.43Å; D46-H48 PolarHBondContact O-N 2.84Å; H48-D50 PolarHBondContact O-N 2.84Å
49K67.6Low80.7Confident190 Ų190137.8 Ų137.883%0.82669%0.687SS**  trans-55124.6153.5-75.2-176.2175.6-177.20106.2V51K49-V51 PolarHBondContact O-N 2.74Å
50D69.4Low79.7Confident151 Ų151133.4 Ų133.481%0.80768%0.684SS**  trans-42.9114.3167.9-66.9-50000107.1H48 V52H48-D50 PolarHBondContact O-N 2.84Å; D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.93Å
51V68.5Low78.9Confident135 Ų135132.9 Ų132.982%0.81869%0.69SS**  trans-57104177.9178.70000104.2K49 R53K49-V51 PolarHBondContact O-N 2.74Å; V51-R53 PolarHBondContact O-N 2.93Å
52V72.6Confident78.2Confident108 Ų108138.2 Ų138.266%0.65571%0.712SS**  trans-49.9119.1176.8176.10000103.9D50 L54D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.93Å; V52-L54 HydrophobicContact CG1-CD2 4.49Å; V52-L54 PolarHBondContact O-N 2.65Å
53R70.7Confident77.3Confident244 Ų244138.2 Ų138.292%0.92171%0.705SS**  trans-6291176.3-73.2-173.6177-170.30.1105.6V51 S55V51-R53 PolarHBondContact O-N 2.93Å; R53-S55 PolarHBondContact O-N 3.1Å
54L71.8Confident76.5Confident146 Ų146138.6 Ų138.676%0.76470%0.7SS**  trans-58.9133.5177.4-64.7176.6000105.1V52V52-L54 HydrophobicContact CG1-CD2 4.49Å; V52-L54 PolarHBondContact O-N 2.65Å
55S77.6Confident75.7Confident100 Ų100140.2 Ų140.270%0.69971%0.712SS**  trans-46.5145.317050.60000109R53 R57R53-S55 PolarHBondContact O-N 3.1Å; S55-R57 PolarHBondContact O-N 3.32Å; S55-R57 VanDerWaalsContact O-N 3.1Å
56P79.2Confident74.8Confident124 Ų124142.9 Ų142.981%0.80573%0.728SS**  trans-44.7125.7177.1-26.934000109.6
57R75.1Confident74.1Confident221 Ų221145.9 Ų145.983%0.83473%0.732SS**PPolyproline II helixtrans-55.7132.7177.1-167.1-175.4-141.9-149.43.5106.8S55 E59S55-R57 PolarHBondContact O-N 3.32Å; S55-R57 VanDerWaalsContact O-N 3.1Å; R57-E59 PolarHBondContact O-N 2.87Å
58P79.9Confident73.8Confident107 Ų107143.1 Ų143.170%0.69572%0.721SS**PPolyproline II helixtrans-53.6145.7170.722.1-32.1000109.1
59E80.3Confident73.9Confident181 Ų181142 Ų14285%0.84672%0.716SS**PPolyproline II helixtrans-53.3136.4-179.2-67.8-165.4175.500109.9R57 M61R57-E59 PolarHBondContact O-N 2.87Å; E59-M61 PolarHBondContact O-N 2.99Å
60P72.3Confident74.6Confident114 Ų114137 Ų13774%0.7470%0.703SS**  trans-60.8112.1178.124.7-31.3000108.6L62P60-L62 PolarHBondContact O-N 3.49Å
61M73.1Confident75.4Confident142 Ų142135.3 Ų135.370%0.770%0.698SS**  trans-62.2129.9167.2-91.8179.86400108.3E59 H63E59-M61 PolarHBondContact O-N 2.99Å; M61-H63 VanDerWaalsContact C-N 3.32Å; M61-H63 PolarHBondContact O-N 2.93Å
62L76.2Confident76.3Confident178 Ų178131.5 Ų131.593%0.93268%0.675SS**  trans-69.292.7171.6-109.4147.4000108.1P60P60-L62 PolarHBondContact O-N 3.49Å
63H72.7Confident77.2Confident101 Ų101131.9 Ų131.947%0.46867%0.668SS.*  trans-74.2124.7174.4-69-49.4000109.9M61 M65 E68M61-H63 VanDerWaalsContact C-N 3.32Å; M61-H63 PolarHBondContact O-N 2.93Å; H63-M65 VanDerWaalsContact C-N 3.29Å; H63-M65 PolarHBondContact O-N 3.36Å; H63-E68 VanDerWaalsContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CB-OE2 3.18Å; H63-E68 IonicContact CE1-OE1 3.74Å; H63-E68 IonicContact CG-OE2 3.31Å; H63-E68 IonicContact ND1-OE1 3.58Å; H63-E68 PolarHBondContact ND1-OE1 2.91Å; H63-E68 IonicContact ND1-OE2 3.58Å; H63-E68 PolarHBondContact ND1-OE2 3.25Å
64E74Confident77.9Confident102 Ų102127.2 Ų127.248%0.47765%0.651SS.*  trans-8083.4173.8-164.4177.6-171.600108V66 R67 E68E64-V66 PolarHBondContact O-N 3.34Å; E64-R67 HydrophobicContact CG-CB 4.33Å; E64-R67 HydrophobicContact CG-CG 4.4Å; E64-R67 PolarHBondContact O-N 3.08Å; E64-R67 WeakPolarHBondContact OE1-CD 3.35Å; E64-R67 IonicContact OE1-CZ 3.34Å; E64-R67 IonicContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH1 3.01Å; E64-R67 PolarHBondContact OE1-NH1 2.9Å; E64-R67 WeakPolarHBondContact OE2-CD 3.44Å; E64-R67 IonicContact OE2-NH1 3.79Å; E64-E68 WeakPolarHBondContact O-CB 3.4Å; E64-E68 PolarHBondContact O-N 2.88Å
65M69.7Low78.5Confident171 Ų171121.7 Ų121.784%0.84262%0.623SS**THydrogen-bonded Turntrans-53-21.8-172.2-60.8-133.378.400114.7H63H63-M65 VanDerWaalsContact C-N 3.29Å; H63-M65 PolarHBondContact O-N 3.36Å
66V71.4Confident79Confident130 Ų130122.6 Ų122.679%0.78862%0.616SS**THydrogen-bonded Turntrans-82-32.3-179.1-178.50000112.2E64E64-V66 PolarHBondContact O-N 3.34Å
67R72.8Confident79.4Confident165 Ų165119.4 Ų119.462%0.62359%0.591SS**THydrogen-bonded Turntrans-110.8-26.9-172.3-64.9-170.3179.7157.6-7.2113.3E64 Q69E64-R67 HydrophobicContact CG-CB 4.33Å; E64-R67 HydrophobicContact CG-CG 4.4Å; E64-R67 PolarHBondContact O-N 3.08Å; E64-R67 WeakPolarHBondContact OE1-CD 3.35Å; E64-R67 IonicContact OE1-CZ 3.34Å; E64-R67 IonicContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH1 3.01Å; E64-R67 PolarHBondContact OE1-NH1 2.9Å; E64-R67 WeakPolarHBondContact OE2-CD 3.44Å; E64-R67 IonicContact OE2-NH1 3.79Å; R67-Q69 PolarHBondContact O-N 3.42Å
68E78.4Confident79.7Confident97 Ų97113.5 Ų113.545%0.45357%0.568SS.*PPolyproline II helixtrans-72.1120.6-178.1-161.6167.2178.500110.1H63 E64H63-E68 VanDerWaalsContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CB-OE2 3.18Å; H63-E68 IonicContact CE1-OE1 3.74Å; H63-E68 IonicContact CG-OE2 3.31Å; H63-E68 IonicContact ND1-OE1 3.58Å; H63-E68 PolarHBondContact ND1-OE1 2.91Å; H63-E68 IonicContact ND1-OE2 3.58Å; H63-E68 PolarHBondContact ND1-OE2 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.4Å; E64-E68 PolarHBondContact O-N 2.88Å
69Q78.8Confident79.8Confident75 Ų75113.5 Ų113.535%0.3556%0.562SS.*PPolyproline II helixtrans-86.9139.3174.2-68.4-62.4-69.200109.3R67 V71 T92R67-Q69 PolarHBondContact O-N 3.42Å; Q69-V71 PolarHBondContact O-N 3.29Å; Q69-T92 WeakPolarHBondContact CG-O 3.36Å
70P82.8Confident80Confident84 Ų84112.4 Ų112.455%0.54556%0.555SS.*PPolyproline II helixtrans-64.1135.7178.327.5-34.4000110.3T72 T75P70-T72 HydrophobicContact CB-CG2 4.24Å; P70-T72 HydrophobicContact CG-CG2 4.4Å; P70-T72 PolarHBondContact O-N 3.2Å; P70-T75 PolarHBondContact O-OG1 3.19Å
71V85.2Confident80.2Confident116 Ų116109.2 Ų109.270%0.70353%0.531SS*.  trans-74.2110.9171.5-1760000108.1Q69 E76Q69-V71 PolarHBondContact O-N 3.29Å; V71-E76 HydrophobicContact CG1-CG 3.93Å; V71-E76 VanDerWaalsContact CG1-OE1 3.24Å; V71-E76 WeakPolarHBondContact CG1-OE1 3.49Å
72T88.5Confident80.5Confident56 Ų56111.3 Ų111.334%0.34454%0.538SS..  trans-129.6162.8176.765.50000109.3P70 W74 T75 E76P70-T72 HydrophobicContact CB-CG2 4.24Å; P70-T72 HydrophobicContact CG-CG2 4.4Å; P70-T72 PolarHBondContact O-N 3.2Å; T72-W74 PolarHBondContact O-N 2.96Å; T72-W74 VanDerWaalsContact O-N 3.13Å; T72-T75 PolarHBondContact N-OG1 2.85Å; T72-T75 PolarHBondContact O-N 3.43Å; T72-T75 VanDerWaalsContact O-N 3.13Å; T72-T75 PolarHBondContact O-OG1 3.26Å; T72-T75 PolarHBondContact OG1-N 3.35Å; T72-T75 PolarHBondContact OG1-OG1 2.94Å; T72-E76 WeakPolarHBondContact O-CG 3.48Å; T72-E76 PolarHBondContact O-N 2.89Å; T72-E76 VanDerWaalsContact O-N 3.09Å
73F89.6Confident80.5Confident116 Ų116106.9 Ų106.951%0.50954%0.536SS..Hα-helixtrans-47.9-42.8172.6176.5-104.5000112.7E76 H77 M81F73-E76 PolarHBondContact O-N 2.93Å; F73-H77 AromaticContact CD2-CE1 3.65Å; F73-H77 AromaticContact CD2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CD2-ND1 3.38Å; F73-H77 AromaticContact CE2-CE1 3.63Å; F73-H77 AromaticContact CE2-CG 3.99Å; F73-H77 AromaticContact CE2-ND1 3.58Å; F73-H77 WeakPolarHBondContact O-CB 3.46Å; F73-H77 PolarHBondContact O-N 2.91Å; F73-H77 PolarHBondContact O-ND1 3.18Å; F73-M81 HydrophobicContact CD1-CE 4Å; F73-M81 HydrophobicContact CE1-CE 3.26Å; F73-M81 HydrophobicContact CZ-CE 3.81Å
74W86.6Confident80.5Confident146 Ų146105.4 Ų105.455%0.55353%0.531SS*.Hα-helixtrans-68.5-43.7-179-58.7104.8000112.9T72 E76 H77 R78 M81 F95T72-W74 PolarHBondContact O-N 2.96Å; T72-W74 VanDerWaalsContact O-N 3.13Å; W74-E76 VanDerWaalsContact C-N 3.26Å; W74-E76 PolarHBondContact O-N 3.31Å; W74-H77 PolarHBondContact O-N 2.96Å; W74-R78 PolarHBondContact O-N 3.02Å; W74-M81 HydrophobicContact CE3-CE 3.59Å; W74-M81 HydrophobicContact CE3-SD 3.34Å; W74-M81 HydrophobicContact CH2-CE 4.35Å; W74-M81 HydrophobicContact CZ3-CE 3.5Å; W74-M81 VanDerWaalsContact CZ3-CE 3.5Å; W74-M81 HydrophobicContact CZ3-SD 3.38Å; W74-M81 WeakPolarHBondContact CZ3-SD 3.39Å; W74-F95 HydrophobicContact CB-CE1 4.49Å; W74-F95 HydrophobicContact CB-CE2 3.66Å; W74-F95 HydrophobicContact CB-CZ 3.53Å; W74-F95 WeakPolarHBondContact O-CZ 3.46Å
75T85.1Confident80.4Confident29 Ų29104.7 Ų104.718%0.17853%0.534CS..Hα-helixtrans-65.9-32179510000112.1P70 T72 P94 F95P70-T75 PolarHBondContact O-OG1 3.19Å; T72-T75 PolarHBondContact N-OG1 2.85Å; T72-T75 PolarHBondContact O-N 3.43Å; T72-T75 VanDerWaalsContact O-N 3.13Å; T72-T75 PolarHBondContact O-OG1 3.26Å; T72-T75 PolarHBondContact OG1-N 3.35Å; T72-T75 PolarHBondContact OG1-OG1 2.94Å; T75-P94 HydrophobicContact CG2-CG 4.03Å; T75-F95 HydrophobicContact CG2-CE2 3.98Å
76E88.1Confident80.4Confident120 Ų120104.5 Ų104.556%0.56153%0.531SS*.Hα-helixtrans-75.7-34.6176.9-69.5-178.5155.400113.1V71 T72 F73 W74V71-E76 HydrophobicContact CG1-CG 3.93Å; V71-E76 VanDerWaalsContact CG1-OE1 3.24Å; V71-E76 WeakPolarHBondContact CG1-OE1 3.49Å; T72-E76 WeakPolarHBondContact O-CG 3.48Å; T72-E76 PolarHBondContact O-N 2.89Å; T72-E76 VanDerWaalsContact O-N 3.09Å; F73-E76 PolarHBondContact O-N 2.93Å; W74-E76 VanDerWaalsContact C-N 3.26Å; W74-E76 PolarHBondContact O-N 3.31Å
77H87.6Confident80.3Confident57 Ų57102.2 Ų102.226%0.26451%0.509SS..Hα-helixtrans-102.56.1-173.3-65.280.6000113.8F73 W74 D79 K80 M81F73-H77 AromaticContact CD2-CE1 3.65Å; F73-H77 AromaticContact CD2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CD2-ND1 3.38Å; F73-H77 AromaticContact CE2-CE1 3.63Å; F73-H77 AromaticContact CE2-CG 3.99Å; F73-H77 AromaticContact CE2-ND1 3.58Å; F73-H77 WeakPolarHBondContact O-CB 3.46Å; F73-H77 PolarHBondContact O-N 2.91Å; F73-H77 PolarHBondContact O-ND1 3.18Å; W74-H77 PolarHBondContact O-N 2.96Å; H77-D79 PolarHBondContact O-N 3.39Å; H77-D79 VanDerWaalsContact O-N 3.09Å; H77-K80 PolarHBondContact O-N 3.35Å; H77-M81 HydrophobicContact CB-CE 3.87Å; H77-M81 HydrophobicContact CB-CG 4.35Å; H77-M81 HydrophobicContact CB-SD 4.37Å; H77-M81 WeakPolarHBondContact O-CG 3.43Å; H77-M81 PolarHBondContact O-N 3.13Å
78R80.6Confident79.9Confident96 Ų9697.3 Ų97.336%0.36250%0.5SS..G310 helixtrans-51.3-38-175.271.3-175.8-175-170.7-3.6114W74 K80 F95W74-R78 PolarHBondContact O-N 3.02Å; R78-K80 VanDerWaalsContact C-N 3.31Å; R78-F95 HydrophobicContact CB-CZ 4.36Å
79D81.2Confident79.3Confident107 Ų10799 Ų9957%0.57252%0.516SS*.G310 helixtrans-80-15.3-176.5-54.1-47.6000112.3H77 Y87H77-D79 PolarHBondContact O-N 3.39Å; H77-D79 VanDerWaalsContact O-N 3.09Å; D79-Y87 PolarHBondContact OD1-OH 3.47Å
80K84.7Confident78.7Confident158 Ų158102.5 Ų102.569%0.68754%0.538SS*.G310 helixtrans-102-7-178.5-61.8178.7-176.7172.40112.9H77 R78H77-K80 PolarHBondContact O-N 3.35Å; R78-K80 VanDerWaalsContact C-N 3.31Å
81M78.1Confident77.8Confident48 Ų48105.6 Ų105.624%0.23654%0.539CS..  trans-97.7123.7-174.5-74.6-174.7169.400112.1F73 W74 H77F73-M81 HydrophobicContact CD1-CE 4Å; F73-M81 HydrophobicContact CE1-CE 3.26Å; F73-M81 HydrophobicContact CZ-CE 3.81Å; W74-M81 HydrophobicContact CE3-CE 3.59Å; W74-M81 HydrophobicContact CE3-SD 3.34Å; W74-M81 HydrophobicContact CH2-CE 4.35Å; W74-M81 HydrophobicContact CZ3-CE 3.5Å; W74-M81 VanDerWaalsContact CZ3-CE 3.5Å; W74-M81 HydrophobicContact CZ3-SD 3.38Å; W74-M81 WeakPolarHBondContact CZ3-SD 3.39Å; H77-M81 HydrophobicContact CB-CE 3.87Å; H77-M81 HydrophobicContact CB-CG 4.35Å; H77-M81 HydrophobicContact CB-SD 4.37Å; H77-M81 WeakPolarHBondContact O-CG 3.43Å; H77-M81 PolarHBondContact O-N 3.13Å
82H78.8Confident76.9Confident185 Ų185104.6 Ų104.686%0.85653%0.533SS*.THydrogen-bonded Turntrans-77.6156.2173.3-4.882.2000111.4N84H82-N84 VanDerWaalsContact C-N 3.31Å; H82-N84 PolarHBondContact O-N 2.83Å
83G76.2Confident76.2Confident85 Ų85104.8 Ų104.888%0.87653%0.534SS*.THydrogen-bonded Turntrans83.70.5176.600000115.1
84N72.9Confident75.3Confident71 Ų71100.1 Ų100.138%0.3852%0.515SS..PPolyproline II helixtrans-75.2137174.2-72.5-17.7000110.9H82H82-N84 VanDerWaalsContact C-N 3.31Å; H82-N84 PolarHBondContact O-N 2.83Å
85T71.3Confident74.9Confident86 Ų8698 Ų9853%0.52851%0.51SS..PPolyproline II helixtrans-62.7141.1169.351.50000109.9Y87 N98T85-Y87 PolarHBondContact O-N 3.06Å; T85-N98 HydrophobicContact CG2-CB 4.32Å
86H69.4Low74.5Confident168 Ų16897.7 Ų97.778%0.77851%0.513SS*.PPolyproline II helixtrans-52.3118.5180-159.9-67000110.3N98H86-N98 PolarHBondContact O-ND2 2.96Å
87Y69.4Low73.9Confident82 Ų82103.4 Ų103.432%0.32253%0.529SS..PPolyproline II helixtrans-89.4148.217255-80000108.5D79 T85D79-Y87 PolarHBondContact OD1-OH 3.47Å; T85-Y87 PolarHBondContact O-N 3.06Å
88S64.5Low73.3Confident62 Ų62104.1 Ų104.143%0.43454%0.535SS..PPolyproline II helixtrans-87.81311701800000107.8N90 R91S88-N90 PolarHBondContact O-N 3.09Å; S88-N90 PolarHBondContact OG-N 3.13Å; S88-R91 PolarHBondContact O-N 2.83Å
89T66.2Low73.3Confident131 Ų131102 Ų10280%0.80454%0.537SS*.THydrogen-bonded Turntrans-56.1-22.7172.2-41.60000112R91T89-R91 VanDerWaalsContact C-N 3.34Å
90N64.8Low73Confident150 Ų15099.5 Ų99.580%0.80253%0.532SS*.THydrogen-bonded Turntrans-84-3.9179.5-62-12.3000113.7S88S88-N90 PolarHBondContact O-N 3.09Å; S88-N90 PolarHBondContact OG-N 3.13Å
91R64.7Low72.7Confident149 Ų149101.3 Ų101.356%0.56254%0.54SS*.  trans-90.7132.7175.5-99.3-172179.3-174.3-0.1110.9S88 T89 T93 R97S88-R91 PolarHBondContact O-N 2.83Å; T89-R91 VanDerWaalsContact C-N 3.34Å; R91-T93 PolarHBondContact O-N 3.5Å; R91-R97 PolarHBondContact NH1-O 3.3Å
92T66.9Low72.9Confident95 Ų95104.1 Ų104.158%0.58356%0.56SS**SBendtrans-62.5-26.2175.1-450000112.8Q69Q69-T92 WeakPolarHBondContact CG-O 3.36Å
93T73.3Confident73.1Confident60 Ų6097.2 Ų97.237%0.36853%0.531SS..  trans-111.4120.4-176.757.10000111.4R91 F95R91-T93 PolarHBondContact O-N 3.5Å; T93-F95 VanDerWaalsContact C-N 3.29Å; T93-F95 PolarHBondContact O-N 3.24Å
94P70.9Confident73.5Confident18 Ų1896.7 Ų96.712%0.11751%0.512CS..THydrogen-bonded Turntrans-68.5-25.9-176.923.2-30.3000113.4T75T75-P94 HydrophobicContact CG2-CG 4.03Å
95F78Confident73.9Confident102 Ų10299.6 Ų99.645%0.44753%0.527SS..THydrogen-bonded Turntrans-111.235.1-175.3-56.2-65.7000113.7W74 T75 R78 T93W74-F95 HydrophobicContact CB-CE1 4.49Å; W74-F95 HydrophobicContact CB-CE2 3.66Å; W74-F95 HydrophobicContact CB-CZ 3.53Å; W74-F95 WeakPolarHBondContact O-CZ 3.46Å; T75-F95 HydrophobicContact CG2-CE2 3.98Å; R78-F95 HydrophobicContact CB-CZ 4.36Å; T93-F95 VanDerWaalsContact C-N 3.29Å; T93-F95 PolarHBondContact O-N 3.24Å
96G76.3Confident74.4Confident22 Ų2298.8 Ų98.823%0.22754%0.535CS..  trans-64.7141.1175.700000112.1N98G96-N98 PolarHBondContact O-N 2.63Å
97R75.4Confident75Confident240 Ų24096.8 Ų96.891%0.90653%0.526SS*.  trans-54.9128.9174.8-64.5-176.1-168.1165.23.8109.9R91R91-R97 PolarHBondContact NH1-O 3.3Å
98N76.7Confident75.4Confident71 Ų7194.8 Ų94.838%0.3852%0.518SS..  trans-118.5113.8172-175.1-15.1000107.9T85 H86 G96 A100T85-N98 HydrophobicContact CG2-CB 4.32Å; H86-N98 PolarHBondContact O-ND2 2.96Å; G96-N98 PolarHBondContact O-N 2.63Å; N98-A100 WeakPolarHBondContact OD1-CB 3.48Å; N98-A100 PolarHBondContact OD1-N 2.94Å
99A79.8Confident75.4Confident51 Ų5198.6 Ų98.642%0.42153%0.533SS..  trans-109.212.3177.900000112.1F101 T102 T103A99-F101 PolarHBondContact O-N 3.35Å; A99-T102 PolarHBondContact O-N 3.35Å; A99-T102 PolarHBondContact O-OG1 3.1Å; A99-T103 PolarHBondContact O-N 3.28Å; A99-T103 PolarHBondContact O-OG1 3.49Å
100A75.3Confident75.4Confident55 Ų55100.6 Ų100.646%0.45554%0.539SS..THydrogen-bonded Turntrans-59.3-21.4-169.700000114.6N98 Y108N98-A100 WeakPolarHBondContact OD1-CB 3.48Å; N98-A100 PolarHBondContact OD1-N 2.94Å; A100-Y108 PolarHBondContact O-OH 3.32Å
101F77.1Confident75.6Confident196 Ų19696.5 Ų96.586%0.8652%0.522SS*.THydrogen-bonded Turntrans-93.7-28.5175-178.3-99.6000113.6A99A99-F101 PolarHBondContact O-N 3.35Å
102T83.2Confident75.7Confident108 Ų10895.6 Ų95.666%0.66352%0.518SS*.THydrogen-bonded Turntrans-96.6-10.7-175.554.30000113.2A99 P104A99-T102 PolarHBondContact O-N 3.35Å; A99-T102 PolarHBondContact O-OG1 3.1Å; T102-P104 WeakPolarHBondContact O-CD 3.26Å
103T82.4Confident75.7Confident40 Ų4094.7 Ų94.725%0.24551%0.509CS..SBendtrans-61.7123.4172.6-60.20000109.7A99 Q107 Y108A99-T103 PolarHBondContact O-N 3.28Å; A99-T103 PolarHBondContact O-OG1 3.49Å; T103-Q107 HydrophobicContact CG2-CB 3.69Å; T103-Y108 HydrophobicContact CG2-CD2 4.2Å; T103-Y108 HydrophobicContact CG2-CE2 3.84Å; T103-Y108 VanDerWaalsContact O-CE2 3.26Å; T103-Y108 WeakPolarHBondContact O-CE2 3.46Å; T103-Y108 PolarHBondContact O-OH 2.98Å
104P85.9Confident75.1Confident74 Ų7495.4 Ų95.448%0.48151%0.514SS..  trans-60.8145.9174.7-23.733.6000112.2T102 G106 Q107T102-P104 WeakPolarHBondContact O-CD 3.26Å; P104-G106 PolarHBondContact O-N 3.25Å; P104-G106 VanDerWaalsContact O-N 3.08Å; P104-Q107 WeakPolarHBondContact O-CB 3.18Å; P104-Q107 PolarHBondContact O-N 3.09Å
105I80.6Confident74.7Confident132 Ų132101 Ų10168%0.67755%0.552SS**G310 helixtrans-56.5-32.3-172.7-161160.6000114.3Q107 Y108 M113I105-Q107 PolarHBondContact O-N 2.92Å; I105-Y108 WeakPolarHBondContact O-CD2 3.24Å; I105-Y108 PolarHBondContact O-N 3.07Å; I105-M113 HydrophobicContact CD1-CE 4.2Å; I105-M113 HydrophobicContact CD1-SD 4.25Å; I105-M113 HydrophobicContact CG1-SD 3.98Å
106G81.4Confident74.1Confident68 Ų68101.1 Ų101.170%0.70155%0.554SS**G310 helixtrans-71.3-9.1177.300000115.1P104P104-G106 PolarHBondContact O-N 3.25Å; P104-G106 VanDerWaalsContact O-N 3.08Å
107Q82.6Confident73.2Confident126 Ų126108.3 Ų108.359%0.58958%0.584SS**G310 helixtrans-97.8-3.7-178.7-64.3-176.1-1.400113.6T103 P104 I105 L109T103-Q107 HydrophobicContact CG2-CB 3.69Å; P104-Q107 WeakPolarHBondContact O-CB 3.18Å; P104-Q107 PolarHBondContact O-N 3.09Å; I105-Q107 PolarHBondContact O-N 2.92Å; Q107-L109 PolarHBondContact O-N 3.27Å
108Y77.4Confident72.5Confident40 Ų40102.5 Ų102.516%0.15757%0.567CS.*  trans-78.564.6172.2-63.8-99.4000109.6A100 T103 I105 N110 S111 P114A100-Y108 PolarHBondContact O-OH 3.32Å; T103-Y108 HydrophobicContact CG2-CD2 4.2Å; T103-Y108 HydrophobicContact CG2-CE2 3.84Å; T103-Y108 VanDerWaalsContact O-CE2 3.26Å; T103-Y108 WeakPolarHBondContact O-CE2 3.46Å; T103-Y108 PolarHBondContact O-OH 2.98Å; I105-Y108 WeakPolarHBondContact O-CD2 3.24Å; I105-Y108 PolarHBondContact O-N 3.07Å; Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 VanDerWaalsContact O-N 3.1Å; Y108-S111 WeakPolarHBondContact CA-OG 3.46Å; Y108-S111 WeakPolarHBondContact CD1-OG 3.4Å; Y108-P114 HydrophobicContact CE1-CG 3.91Å
109L65Low71.6Confident143 Ų143105.8 Ų105.875%0.74959%0.589SS**SBendtrans-68.1-12.6-166.1-97.4155.9000115.2Q107Q107-L109 PolarHBondContact O-N 3.27Å
110N67Low70.5Confident173 Ų173111.3 Ų111.393%0.92560%0.604SS**SBendtrans-170.220.6171-79.6-46.7000111.4Y108Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 VanDerWaalsContact O-N 3.1Å
111S68.4Low69.7Low64 Ų64114.2 Ų114.245%0.44862%0.621SS.*SBendtrans-102.7147.2-177.345.50000110Y108 M113Y108-S111 WeakPolarHBondContact CA-OG 3.46Å; Y108-S111 WeakPolarHBondContact CD1-OG 3.4Å; S111-M113 PolarHBondContact O-N 3.06Å
112R66Low68.3Low129 Ų129120 Ų12049%0.48764%0.637SS.*PPolyproline II helixtrans-54.2127.9177.8-172.1174.9174.5-166.6-2.2110.1E116R112-E116 HydrophobicContact CG-CB 3.9Å; R112-E116 PolarHBondContact NE-O 2.83Å; R112-E116 PolarHBondContact NH2-O 2.68Å
113M66.3Low67.6Low77 Ų77120.7 Ų120.738%0.37964%0.636SS.*PPolyproline II helixtrans-68.6144.5-179.5-69.8-117-74.500110.1I105 S111 C115 E116I105-M113 HydrophobicContact CD1-CE 4.2Å; I105-M113 HydrophobicContact CD1-SD 4.25Å; I105-M113 HydrophobicContact CG1-SD 3.98Å; S111-M113 PolarHBondContact O-N 3.06Å; M113-C115 PolarHBondContact O-N 3.08Å; M113-C115 VanDerWaalsContact O-N 3.11Å; M113-E116 HydrophobicContact CB-CG 4.03Å; M113-E116 PolarHBondContact N-OE2 3.08Å; M113-E116 PolarHBondContact O-N 2.6Å; M113-E116 VanDerWaalsContact O-N 3.08Å
114P61.9Low66.8Low75 Ų75124.9 Ų124.949%0.48766%0.657SS.*THydrogen-bonded Turntrans-56.3121167.7-16.729.4000107.9Y108Y108-P114 HydrophobicContact CE1-CG 3.91Å
115C62.2Low65.7Low136 Ų136127.7 Ų127.792%0.91967%0.667SS**THydrogen-bonded Turntrans92.8-4.1-174.6-54.50000118.7M113 M117M113-C115 PolarHBondContact O-N 3.08Å; M113-C115 VanDerWaalsContact O-N 3.11Å; C115-M117 PolarHBondContact O-N 3.11Å; C115-M117 VanDerWaalsContact O-N 3.08Å
116E66.2Low64.9Low104 Ų104127.5 Ų127.549%0.48667%0.666SS.*  trans-68.2110.5169.9-87.4175162.700110R112 M113R112-E116 HydrophobicContact CG-CB 3.9Å; R112-E116 PolarHBondContact NE-O 2.83Å; R112-E116 PolarHBondContact NH2-O 2.68Å; M113-E116 HydrophobicContact CB-CG 4.03Å; M113-E116 PolarHBondContact N-OE2 3.08Å; M113-E116 PolarHBondContact O-N 2.6Å; M113-E116 VanDerWaalsContact O-N 3.08Å
117M57.5Low63.8Low172 Ų172131.2 Ų131.285%0.84766%0.664SS**  trans-64.9142175.7-103.6176.769.300111C115 V119C115-M117 PolarHBondContact O-N 3.11Å; C115-M117 VanDerWaalsContact O-N 3.08Å; M117-V119 PolarHBondContact O-N 3.07Å
118Q59Low62.6Low119 Ų119131.5 Ų131.556%0.55667%0.669SS**  trans-75.2103.6179.7-129.2166.215.500106.9F120Q118-F120 HydrophobicContact CB-CD2 4.33Å; Q118-F120 HydrophobicContact CB-CE2 4.03Å; Q118-F120 HydrophobicContact CG-CE2 4.49Å; Q118-F120 PolarHBondContact O-N 3.45Å
119V58.4Low61.5Low140 Ų140138.1 Ų138.185%0.84871%0.705SS**  trans-7498.3170.8-165.50000106.2M117 S121M117-V119 PolarHBondContact O-N 3.07Å; V119-S121 PolarHBondContact O-N 3.23Å
120F55.8Low61.2Low166 Ų166137.7 Ų137.773%0.72870%0.702SS**  trans-70.6111169.6-78.3-85.7000107.9Q118 R122Q118-F120 HydrophobicContact CB-CD2 4.33Å; Q118-F120 HydrophobicContact CB-CE2 4.03Å; Q118-F120 HydrophobicContact CG-CE2 4.49Å; Q118-F120 PolarHBondContact O-N 3.45Å; F120-R122 PolarHBondContact O-N 3.06Å
121S59.2Low60.8Low116 Ų116134.8 Ų134.881%0.81168%0.683SS**  trans-68.6124.9163.659.60000108.1V119V119-S121 PolarHBondContact O-N 3.23Å
122R48.2Very low60.1Low319 Ų319141.2 Ų141.2100%1.20471%0.705SS**  trans-710171-73.7-173.1178.2-1670.2111.4F120F120-R122 PolarHBondContact O-N 3.06Å

Retrieved 122 of 122 residues in 94.3 ms (Link to these results)