A0A3Q0KQ80_SCHMA Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 73 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
1M62.6Low71.2Confident195 Ų195109.5 Ų109.596%0.96160%0.597SS**  0-32.40-154.9166.1-177.500113.6I3M1-I3 PolarHBondContact O-N 3.22Å
2F70.5Confident70.9Confident183 Ų183112.3 Ų112.380%0.80360%0.599SS**Hα-helixtrans-61.2-43.2-179.3-65-79.1000115.1L4 N5 S6F2-L4 PolarHBondContact O-N 3.31Å; F2-N5 PolarHBondContact O-N 3.45Å; F2-S6 PolarHBondContact O-N 2.94Å; F2-S6 VanDerWaalsContact O-N 3.14Å; F2-S6 PolarHBondContact O-OG 3.4Å
3I71.1Confident70.7Confident129 Ų129116.8 Ų116.866%0.66260%0.602SS**Hα-helixtrans-62.7-41.2-176-59.9-178.6000112.1M1 N5 S6 I7M1-I3 PolarHBondContact O-N 3.22Å; I3-N5 PolarHBondContact O-N 3.31Å; I3-S6 PolarHBondContact O-N 3.49Å; I3-I7 HydrophobicContact CG2-CD1 3.75Å; I3-I7 HydrophobicContact CG2-CG1 4.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.36Å; I3-I7 PolarHBondContact O-N 3.14Å
4L70.7Confident70.5Confident128 Ų128111.8 Ų111.867%0.6758%0.583SS**Hα-helixtrans-62.6-41.8179.6-72.5169.4000112F2 I7 A8F2-L4 PolarHBondContact O-N 3.31Å; L4-I7 PolarHBondContact O-N 2.96Å; L4-A8 WeakPolarHBondContact O-CB 3.41Å; L4-A8 PolarHBondContact O-N 3.03Å
5N77Confident70.3Confident109 Ų109111.1 Ų111.158%0.58358%0.58SS**Hα-helixtrans-64.7-40.2175.9-86.5-6.1000111.6F2 I3 A8 H9F2-N5 PolarHBondContact O-N 3.45Å; I3-N5 PolarHBondContact O-N 3.31Å; N5-A8 PolarHBondContact O-N 3.4Å; N5-H9 WeakPolarHBondContact O-CB 3.44Å; N5-H9 PolarHBondContact O-N 3.34Å
6S72.9Confident70.1Confident81 Ų81109.3 Ų109.357%0.56658%0.575SS**Hα-helixtrans-63.6-43.7176.3-61.50000112.3F2 I3 H9 A10F2-S6 PolarHBondContact O-N 2.94Å; F2-S6 VanDerWaalsContact O-N 3.14Å; F2-S6 PolarHBondContact O-OG 3.4Å; I3-S6 PolarHBondContact O-N 3.49Å; S6-H9 PolarHBondContact O-N 2.96Å; S6-A10 WeakPolarHBondContact O-CB 3.38Å; S6-A10 PolarHBondContact O-N 2.89Å
7I72.7Confident70.2Confident98 Ų98109.6 Ų109.650%0.50357%0.572SS.*Hα-helixtrans-63.5-47.8176.8-66.4170000110.2I3 L4 H9 A10 S11I3-I7 HydrophobicContact CG2-CD1 3.75Å; I3-I7 HydrophobicContact CG2-CG1 4.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.36Å; I3-I7 PolarHBondContact O-N 3.14Å; L4-I7 PolarHBondContact O-N 2.96Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.46Å; I7-A10 PolarHBondContact O-N 3.42Å; I7-A10 VanDerWaalsContact O-N 3.17Å; I7-S11 PolarHBondContact O-N 3.17Å; I7-S11 PolarHBondContact O-OG 3.48Å
8A73.5Confident70.2Confident46 Ų46109.4 Ų109.438%0.3857%0.571SS.*Hα-helixtrans-61.8-36.917900000112.6L4 N5 K12L4-A8 WeakPolarHBondContact O-CB 3.41Å; L4-A8 PolarHBondContact O-N 3.03Å; N5-A8 PolarHBondContact O-N 3.4Å; A8-K12 WeakPolarHBondContact O-CB 3.37Å; A8-K12 WeakPolarHBondContact O-CG 3.19Å; A8-K12 PolarHBondContact O-N 3.11Å
9H73.9Confident70.5Confident122 Ų122106.8 Ų106.857%0.56556%0.562SS**Hα-helixtrans-68.8-40.5174.6-116.955.2000112.5N5 S6 I7 K12 R13N5-H9 WeakPolarHBondContact O-CB 3.44Å; N5-H9 PolarHBondContact O-N 3.34Å; S6-H9 PolarHBondContact O-N 2.96Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.46Å; H9-K12 PolarHBondContact O-N 2.94Å; H9-R13 WeakPolarHBondContact O-CG 3.44Å; H9-R13 PolarHBondContact O-N 3.23Å
10A68.5Low70.8Confident59 Ų59110.4 Ų110.449%0.48857%0.567SS.*Hα-helixtrans-63.1-44.6175.600000111.3S6 I7 R13 S14S6-A10 WeakPolarHBondContact O-CB 3.38Å; S6-A10 PolarHBondContact O-N 2.89Å; I7-A10 PolarHBondContact O-N 3.42Å; I7-A10 VanDerWaalsContact O-N 3.17Å; A10-R13 PolarHBondContact O-N 3.03Å; A10-S14 PolarHBondContact O-N 2.75Å
11S69.5Low71.1Confident55 Ų55110 Ų11039%0.38557%0.565SS.*Hα-helixtrans-62.8-44.8175.7-63.30000112.4I7 R13 S14 D15I7-S11 PolarHBondContact O-N 3.17Å; I7-S11 PolarHBondContact O-OG 3.48Å; S11-R13 VanDerWaalsContact C-N 3.27Å; S11-R13 PolarHBondContact O-N 3.49Å; S11-S14 WeakPolarHBondContact CA-OG 3.35Å; S11-S14 PolarHBondContact O-N 3Å; S11-S14 VanDerWaalsContact O-N 3.11Å; S11-S14 PolarHBondContact O-OG 2.84Å; S11-D15 WeakPolarHBondContact O-CB 3.39Å; S11-D15 PolarHBondContact O-N 3.26Å
12K67.4Low71.8Confident143 Ų143103.9 Ų103.962%0.62254%0.542SS*.Hα-helixtrans-61.1-37.4175.4-76.8-178.5-179.4-175.50112.5A8 H9 V16A8-K12 WeakPolarHBondContact O-CB 3.37Å; A8-K12 WeakPolarHBondContact O-CG 3.19Å; A8-K12 PolarHBondContact O-N 3.11Å; H9-K12 PolarHBondContact O-N 2.94Å; K12-V16 WeakPolarHBondContact O-CG2 3.5Å; K12-V16 PolarHBondContact O-N 2.94Å
13R68.8Low72.4Confident170 Ų17099.7 Ų99.764%0.64253%0.526SS*.Hα-helixtrans-66.1-41.5174.5-75.9-177.4176.7-163.10.4111.3H9 A10 S11 V16 Q17H9-R13 WeakPolarHBondContact O-CG 3.44Å; H9-R13 PolarHBondContact O-N 3.23Å; A10-R13 PolarHBondContact O-N 3.03Å; S11-R13 VanDerWaalsContact C-N 3.27Å; S11-R13 PolarHBondContact O-N 3.49Å; R13-V16 PolarHBondContact O-N 3.31Å; R13-Q17 WeakPolarHBondContact O-CB 3.36Å; R13-Q17 WeakPolarHBondContact O-CG 3.5Å; R13-Q17 PolarHBondContact O-N 3.25Å
14S67.3Low72.8Confident47 Ų47100 Ų10033%0.32952%0.523SS..Hα-helixtrans-65-43175.759.50000112A10 S11 V16 Q17 I18A10-S14 PolarHBondContact O-N 2.75Å; S11-S14 WeakPolarHBondContact CA-OG 3.35Å; S11-S14 PolarHBondContact O-N 3Å; S11-S14 VanDerWaalsContact O-N 3.11Å; S11-S14 PolarHBondContact O-OG 2.84Å; S14-V16 PolarHBondContact O-N 2.96Å; S14-Q17 PolarHBondContact O-N 3.17Å; S14-Q17 VanDerWaalsContact O-N 3.12Å; S14-I18 WeakPolarHBondContact O-CB 3.36Å; S14-I18 WeakPolarHBondContact O-CD1 3.43Å; S14-I18 VanDerWaalsContact O-CG1 3.24Å; S14-I18 WeakPolarHBondContact O-CG1 3.48Å; S14-I18 PolarHBondContact O-N 3.23Å
15D67.7Low73.6Confident102 Ų10298.1 Ų98.155%0.54552%0.517SS..Hα-helixtrans-63.8-27.7-178.3-66.2-17.8000112.8S11 P19S11-D15 WeakPolarHBondContact O-CB 3.39Å; S11-D15 PolarHBondContact O-N 3.26Å; D15-P19 WeakPolarHBondContact O-CD 3.11Å; D15-P19 WeakPolarHBondContact O-CG 2.83Å
16V68Low74.2Confident82 Ų8297.7 Ų97.750%0.49752%0.515SS..Hα-helixtrans-87.8-31.8174.8177.30000111.9K12 R13 S14 R20K12-V16 WeakPolarHBondContact O-CG2 3.5Å; K12-V16 PolarHBondContact O-N 2.94Å; R13-V16 PolarHBondContact O-N 3.31Å; S14-V16 PolarHBondContact O-N 2.96Å; V16-R20 WeakPolarHBondContact O-CG 3.47Å
17Q71.1Confident74.8Confident114 Ų11499.7 Ų99.753%0.53352%0.515SS..Hα-helixtrans-75.4-37.8179.4-73.917729.400112.6R13 S14 R20 I21R13-Q17 WeakPolarHBondContact O-CB 3.36Å; R13-Q17 WeakPolarHBondContact O-CG 3.5Å; R13-Q17 PolarHBondContact O-N 3.25Å; S14-Q17 PolarHBondContact O-N 3.17Å; S14-Q17 VanDerWaalsContact O-N 3.12Å; Q17-R20 PolarHBondContact O-N 2.87Å; Q17-I21 WeakPolarHBondContact O-CG1 3.49Å; Q17-I21 PolarHBondContact O-N 3.12Å
18I70.9Confident75.6Confident107 Ų10797.7 Ų97.755%0.54951%0.508SS..Hα-helixtrans-58.3-48.9179.4-68.4162.2000111.5S14 R20 I21 S22S14-I18 WeakPolarHBondContact O-CB 3.36Å; S14-I18 WeakPolarHBondContact O-CD1 3.43Å; S14-I18 VanDerWaalsContact O-CG1 3.24Å; S14-I18 WeakPolarHBondContact O-CG1 3.48Å; S14-I18 PolarHBondContact O-N 3.23Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 2.92Å; I18-I21 PolarHBondContact O-N 3.43Å; I18-S22 PolarHBondContact O-N 3.28Å; I18-S22 PolarHBondContact O-OG 3Å
19P75.7Confident76.5Confident60 Ų6097.3 Ų97.339%0.3950%0.504SS..Hα-helixtrans-62.1-36.3175-25.134.2000113.7D15 S22 I23D15-P19 WeakPolarHBondContact O-CD 3.11Å; D15-P19 WeakPolarHBondContact O-CG 2.83Å; P19-S22 WeakPolarHBondContact CA-OG 3.24Å; P19-S22 PolarHBondContact O-N 3.33Å; P19-S22 PolarHBondContact O-OG 3.41Å; P19-I23 WeakPolarHBondContact O-CB 3.37Å; P19-I23 WeakPolarHBondContact O-CD1 3.3Å; P19-I23 WeakPolarHBondContact O-CG1 3.18Å; P19-I23 PolarHBondContact O-N 2.99Å
20R75.5Confident77.3Confident178 Ų17895.3 Ų95.367%0.67250%0.495SS*.Hα-helixtrans-66.8-41.9178-73.1-179.2-179.8-166.30111.5V16 Q17 I18 F24V16-R20 WeakPolarHBondContact O-CG 3.47Å; Q17-R20 PolarHBondContact O-N 2.87Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 2.92Å; R20-F24 WeakPolarHBondContact O-CB 3.47Å; R20-F24 PolarHBondContact O-N 2.89Å
21I78Confident78.5Confident102 Ų10295.4 Ų95.452%0.52350%0.496SS..Hα-helixtrans-65.9-41.9176.8-65.5168.2000110.1Q17 I18 F24 V25Q17-I21 WeakPolarHBondContact O-CG1 3.49Å; Q17-I21 PolarHBondContact O-N 3.12Å; I18-I21 PolarHBondContact O-N 3.43Å; I21-F24 PolarHBondContact O-N 3.19Å; I21-V25 HydrophobicContact CG2-CG2 4.28Å; I21-V25 VanDerWaalsContact O-CG2 3.3Å; I21-V25 WeakPolarHBondContact O-CG2 3.42Å; I21-V25 PolarHBondContact O-N 3.48Å
22S77.9Confident79.6Confident67 Ų6798.1 Ų98.147%0.46951%0.505SS..Hα-helixtrans-65.5-40.9179680000112.7I18 P19 V25 N26I18-S22 PolarHBondContact O-N 3.28Å; I18-S22 PolarHBondContact O-OG 3Å; P19-S22 WeakPolarHBondContact CA-OG 3.24Å; P19-S22 PolarHBondContact O-N 3.33Å; P19-S22 PolarHBondContact O-OG 3.41Å; S22-V25 PolarHBondContact O-N 3.42Å; S22-N26 WeakPolarHBondContact O-CB 3.43Å; S22-N26 PolarHBondContact O-N 3.44Å
23I81.4Confident80.8Confident94 Ų9496.9 Ų96.948%0.48250%0.499SS..Hα-helixtrans-59.5-48.5172.5-68.2164.2000110P19 V25 N26 E27P19-I23 WeakPolarHBondContact O-CB 3.37Å; P19-I23 WeakPolarHBondContact O-CD1 3.3Å; P19-I23 WeakPolarHBondContact O-CG1 3.18Å; P19-I23 PolarHBondContact O-N 2.99Å; I23-V25 PolarHBondContact O-N 2.97Å; I23-N26 PolarHBondContact O-N 2.87Å; I23-E27 HydrophobicContact CG2-CG 4.36Å; I23-E27 WeakPolarHBondContact CG2-OE1 3.32Å; I23-E27 WeakPolarHBondContact O-CG 3.29Å; I23-E27 PolarHBondContact O-N 3.42Å
24F81.2Confident82Confident135 Ų13590.1 Ų90.159%0.59248%0.48SS*.Hα-helixtrans-61-42.4179.5-179.4-99.4000112.9R20 I21 N26 T28R20-F24 WeakPolarHBondContact O-CB 3.47Å; R20-F24 PolarHBondContact O-N 2.89Å; I21-F24 PolarHBondContact O-N 3.19Å; F24-N26 VanDerWaalsContact C-N 3.35Å; F24-T28 VanDerWaalsContact O-CB 3.29Å; F24-T28 WeakPolarHBondContact O-CB 3.46Å; F24-T28 PolarHBondContact O-N 2.93Å; F24-T28 PolarHBondContact O-OG1 3.42Å
25V86.2Confident83.3Confident89 Ų8992 Ų9254%0.53948%0.484SS..Hα-helixtrans-63.6-42.3176.1169.30000110.7I21 S22 I23 T28 A29I21-V25 HydrophobicContact CG2-CG2 4.28Å; I21-V25 VanDerWaalsContact O-CG2 3.3Å; I21-V25 WeakPolarHBondContact O-CG2 3.42Å; I21-V25 PolarHBondContact O-N 3.48Å; S22-V25 PolarHBondContact O-N 3.42Å; I23-V25 PolarHBondContact O-N 2.97Å; V25-T28 PolarHBondContact O-N 2.98Å; V25-A29 VanDerWaalsContact O-CB 3.32Å; V25-A29 WeakPolarHBondContact O-CB 3.39Å; V25-A29 PolarHBondContact O-N 2.74Å
26N89Confident84.6Confident101 Ų10193.7 Ų93.754%0.5449%0.486SS..Hα-helixtrans-66.8-45.4179.5-167.152.9000111.9S22 I23 F24 T28 A29 E30S22-N26 WeakPolarHBondContact O-CB 3.43Å; S22-N26 PolarHBondContact O-N 3.44Å; I23-N26 PolarHBondContact O-N 2.87Å; F24-N26 VanDerWaalsContact C-N 3.35Å; N26-T28 VanDerWaalsContact C-N 3.32Å; N26-T28 PolarHBondContact O-N 2.87Å; N26-A29 PolarHBondContact O-N 2.91Å; N26-E30 WeakPolarHBondContact O-CG 3.33Å; N26-E30 PolarHBondContact O-N 3.32Å
27E87.1Confident85.8Confident123 Ų12397.5 Ų97.558%0.57549%0.492SS*.Hα-helixtrans-60.1-42.7174.7-73.8178-178.500111.7I23 E30 A31I23-E27 HydrophobicContact CG2-CG 4.36Å; I23-E27 WeakPolarHBondContact CG2-OE1 3.32Å; I23-E27 WeakPolarHBondContact O-CG 3.29Å; I23-E27 PolarHBondContact O-N 3.42Å; E27-E30 PolarHBondContact O-N 3.35Å; E27-A31 WeakPolarHBondContact O-CB 3.39Å; E27-A31 PolarHBondContact O-N 3.38Å
28T89.2Confident86.9Confident56 Ų56100.4 Ų100.434%0.34450%0.498SS..Hα-helixtrans-65.1-42.6177.2-57.70000111.4F24 V25 N26 A31 I32F24-T28 VanDerWaalsContact O-CB 3.29Å; F24-T28 WeakPolarHBondContact O-CB 3.46Å; F24-T28 PolarHBondContact O-N 2.93Å; F24-T28 PolarHBondContact O-OG1 3.42Å; V25-T28 PolarHBondContact O-N 2.98Å; N26-T28 VanDerWaalsContact C-N 3.32Å; N26-T28 PolarHBondContact O-N 2.87Å; T28-A31 PolarHBondContact O-N 2.95Å; T28-I32 HydrophobicContact CG2-CD1 4.02Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 2.86Å
29A92.2Very high88Confident38 Ų38101.4 Ų101.431%0.31450%0.498SS..Hα-helixtrans-63.8-42.1177.500000111.8V25 N26 I32 K33V25-A29 VanDerWaalsContact O-CB 3.32Å; V25-A29 WeakPolarHBondContact O-CB 3.39Å; V25-A29 PolarHBondContact O-N 2.74Å; N26-A29 PolarHBondContact O-N 2.91Å; A29-I32 PolarHBondContact O-N 3.42Å; A29-K33 WeakPolarHBondContact O-CG 3.44Å; A29-K33 PolarHBondContact O-N 3.28Å
30E91.4Very high88.9Confident80 Ų80102.4 Ų102.437%0.37450%0.5SS..Hα-helixtrans-66.9-38.3175.6-72.1-53.6122.900112.2N26 E27 K33 A34N26-E30 WeakPolarHBondContact O-CG 3.33Å; N26-E30 PolarHBondContact O-N 3.32Å; E27-E30 PolarHBondContact O-N 3.35Å; E30-K33 PolarHBondContact O-N 2.95Å; E30-K33 WeakPolarHBondContact OE1-CD 3.35Å; E30-K33 IonicContact OE1-NZ 2.76Å; E30-K33 PolarHBondContact OE1-NZ 3.29Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 3Å
31A92.2Very high89.8Confident60 Ų6096.7 Ų96.750%0.49649%0.491SS..Hα-helixtrans-61.7-43.4173.100000112E27 T28 A34 E35E27-A31 WeakPolarHBondContact O-CB 3.39Å; E27-A31 PolarHBondContact O-N 3.38Å; T28-A31 PolarHBondContact O-N 2.95Å; A31-A34 PolarHBondContact O-N 3.33Å; A31-E35 WeakPolarHBondContact O-CB 3.4Å; A31-E35 PolarHBondContact O-N 2.9Å
32I92.7Very high90.7Very high112 Ų112100.7 Ų100.757%0.57450%0.499SS*.Hα-helixtrans-63.3-44176.4-68.6165.4000111T28 A29 E35 K36T28-I32 HydrophobicContact CG2-CD1 4.02Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 2.86Å; A29-I32 PolarHBondContact O-N 3.42Å; I32-E35 PolarHBondContact O-N 3.23Å; I32-K36 PolarHBondContact O-N 2.94Å
33K93.9Very high91.6Very high117 Ų117102 Ų10251%0.50950%0.498SS..Hα-helixtrans-63.2-41.1175.8-72.9174.9-170.9166.90112A29 E30 K36 R37A29-K33 WeakPolarHBondContact O-CG 3.44Å; A29-K33 PolarHBondContact O-N 3.28Å; E30-K33 PolarHBondContact O-N 2.95Å; E30-K33 WeakPolarHBondContact OE1-CD 3.35Å; E30-K33 IonicContact OE1-NZ 2.76Å; E30-K33 PolarHBondContact OE1-NZ 3.29Å; K33-K36 PolarHBondContact O-N 3.08Å; K33-R37 WeakPolarHBondContact O-CG 3.28Å; K33-R37 PolarHBondContact O-N 3.06Å
34A92.8Very high92.2Very high28 Ų28102.7 Ų102.723%0.23150%0.503CS..Hα-helixtrans-64-42.217700000111.5E30 A31 R37 R38E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 3Å; A31-A34 PolarHBondContact O-N 3.33Å; A34-R37 PolarHBondContact O-N 3.47Å; A34-R38 WeakPolarHBondContact O-CG 3.49Å; A34-R38 PolarHBondContact O-N 2.76Å; A34-R38 VanDerWaalsContact O-N 3.08Å
35E94.3Very high93Very high87 Ų87104.7 Ų104.741%0.40751%0.507SS..Hα-helixtrans-64.3-41.6176.2-177.257.9-159.700111.9A31 I32 R37 R38 K39A31-E35 WeakPolarHBondContact O-CB 3.4Å; A31-E35 PolarHBondContact O-N 2.9Å; I32-E35 PolarHBondContact O-N 3.23Å; E35-R37 PolarHBondContact O-N 3.37Å; E35-R38 PolarHBondContact O-N 3.09Å; E35-K39 PolarHBondContact O-N 3.07Å; E35-K39 WeakPolarHBondContact OE1-CE 3.45Å
36K95Very high93.4Very high138 Ų138103.4 Ų103.460%0.650%0.496SS*.Hα-helixtrans-58.5-47.9173.9-172.9176.9178.3-179.20111.6I32 K33 R38 K39 D40I32-K36 PolarHBondContact O-N 2.94Å; K33-K36 PolarHBondContact O-N 3.08Å; K36-R38 VanDerWaalsContact C-N 3.28Å; K36-R38 PolarHBondContact O-N 3.06Å; K36-K39 WeakPolarHBondContact O-CB 3.47Å; K36-K39 PolarHBondContact O-N 3.05Å; K36-K39 VanDerWaalsContact O-N 3.09Å; K36-D40 VanDerWaalsContact O-CG 3.3Å; K36-D40 PolarHBondContact O-N 3.34Å
37R93.9Very high93.8Very high162 Ų162102 Ų10261%0.61149%0.489SS*.Hα-helixtrans-58.5-37.4176.9-74.9-173.6-73.2157.5-7.5113.1K33 A34 E35 A41K33-R37 WeakPolarHBondContact O-CG 3.28Å; K33-R37 PolarHBondContact O-N 3.06Å; A34-R37 PolarHBondContact O-N 3.47Å; E35-R37 PolarHBondContact O-N 3.37Å; R37-A41 WeakPolarHBondContact O-CB 3.35Å; R37-A41 PolarHBondContact O-N 3.43Å
38R94.1Very high94.2Very high175 Ų175103.7 Ų103.766%0.6649%0.491SS*.Hα-helixtrans-66.9-39.3176.1-71.3172.9178.7-177.8-1.3112.1A34 E35 K36 R42A34-R38 WeakPolarHBondContact O-CG 3.49Å; A34-R38 PolarHBondContact O-N 2.76Å; A34-R38 VanDerWaalsContact O-N 3.08Å; E35-R38 PolarHBondContact O-N 3.09Å; K36-R38 VanDerWaalsContact C-N 3.28Å; K36-R38 PolarHBondContact O-N 3.06Å; R38-R42 WeakPolarHBondContact O-CB 3.46Å; R38-R42 PolarHBondContact O-N 2.95Å
39K94.8Very high94.4Very high127 Ų127104.7 Ų104.755%0.55249%0.493SS*.Hα-helixtrans-65.9-44.6175.7-71.3-179.7179.3-179.70111.5E35 K36 R42 E43E35-K39 PolarHBondContact O-N 3.07Å; E35-K39 WeakPolarHBondContact OE1-CE 3.45Å; K36-K39 WeakPolarHBondContact O-CB 3.47Å; K36-K39 PolarHBondContact O-N 3.05Å; K36-K39 VanDerWaalsContact O-N 3.09Å; K39-R42 WeakPolarHBondContact O-CB 3.49Å; K39-R42 PolarHBondContact O-N 2.98Å; K39-R42 VanDerWaalsContact O-N 3.16Å; K39-E43 PolarHBondContact O-N 2.95Å
40D94.6Very high94.5Very high82 Ų82109 Ų10944%0.43951%0.505SS..Hα-helixtrans-61.2-47.3178.2-62.8-18000110.7K36 R42 E43 D44K36-D40 VanDerWaalsContact O-CG 3.3Å; K36-D40 PolarHBondContact O-N 3.34Å; D40-R42 VanDerWaalsContact C-N 3.27Å; D40-R42 PolarHBondContact O-N 3.32Å; D40-E43 WeakPolarHBondContact O-CB 3.44Å; D40-E43 PolarHBondContact O-N 3.14Å; D40-E43 VanDerWaalsContact O-N 3.11Å; D40-D44 PolarHBondContact O-N 3.11Å
41A94.7Very high94.5Very high58 Ų58110.9 Ų110.948%0.47951%0.514SS..Hα-helixtrans-62-32.617600000113.5R37 R45R37-A41 WeakPolarHBondContact O-CB 3.35Å; R37-A41 PolarHBondContact O-N 3.43Å; A41-R45 PolarHBondContact O-N 2.94Å; A41-R45 VanDerWaalsContact O-N 3.14Å
42R95.9Very high94.5Very high186 Ų186110.2 Ų110.270%0.70250%0.503SS*.Hα-helixtrans-68.5-42.6174.5-176.2-179.1-178.2-178.10.6111R38 K39 D40 R45 I46R38-R42 WeakPolarHBondContact O-CB 3.46Å; R38-R42 PolarHBondContact O-N 2.95Å; K39-R42 WeakPolarHBondContact O-CB 3.49Å; K39-R42 PolarHBondContact O-N 2.98Å; K39-R42 VanDerWaalsContact O-N 3.16Å; D40-R42 VanDerWaalsContact C-N 3.27Å; D40-R42 PolarHBondContact O-N 3.32Å; R42-R45 PolarHBondContact O-N 3.27Å; R42-I46 HydrophobicContact CG-CD1 4.16Å; R42-I46 WeakPolarHBondContact O-CG1 3.43Å; R42-I46 PolarHBondContact O-N 3.16Å
43E96.8Very high94.4Very high93 Ų93110.2 Ų110.244%0.43550%0.503SS..Hα-helixtrans-63.6-43.9177.8-170.958.7-153.500111K39 D40 R45 I46 N47K39-E43 PolarHBondContact O-N 2.95Å; D40-E43 WeakPolarHBondContact O-CB 3.44Å; D40-E43 PolarHBondContact O-N 3.14Å; D40-E43 VanDerWaalsContact O-N 3.11Å; E43-R45 VanDerWaalsContact C-N 3.3Å; E43-R45 PolarHBondContact O-N 3.5Å; E43-I46 WeakPolarHBondContact O-CB 3.49Å; E43-I46 PolarHBondContact O-N 3.29Å; E43-I46 VanDerWaalsContact O-N 3.12Å; E43-N47 PolarHBondContact O-N 2.89Å; E43-N47 PolarHBondContact O-ND2 3.23Å
44D95.4Very high94.2Very high110 Ų110106.2 Ų106.259%0.58850%0.495SS*.Hα-helixtrans-57.7-43.6174.4-73.2-18.4000111.9D40 I46 N47 Y48D40-D44 PolarHBondContact O-N 3.11Å; D44-I46 PolarHBondContact O-N 2.88Å; D44-N47 PolarHBondContact O-N 3.28Å; D44-Y48 WeakPolarHBondContact O-CB 3.41Å; D44-Y48 PolarHBondContact O-N 2.9Å
45R96Very high93.9Very high177 Ų177107.9 Ų107.967%0.66850%0.5SS*.Hα-helixtrans-64.6-39.3176.7-174173.5176.6-115.4-0.5112.2A41 R42 E43 L49A41-R45 PolarHBondContact O-N 2.94Å; A41-R45 VanDerWaalsContact O-N 3.14Å; R42-R45 PolarHBondContact O-N 3.27Å; E43-R45 VanDerWaalsContact C-N 3.3Å; E43-R45 PolarHBondContact O-N 3.5Å; R45-L49 HydrophobicContact CG-CD1 4.46Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.42Å; R45-L49 PolarHBondContact O-N 3.02Å
46I96.4Very high93.4Very high61 Ų61109 Ų10931%0.31351%0.509SS..Hα-helixtrans-63.7-44.6175.4-71.5166.6000110.2R42 E43 D44 Y48 L49 K50R42-I46 HydrophobicContact CG-CD1 4.16Å; R42-I46 WeakPolarHBondContact O-CG1 3.43Å; R42-I46 PolarHBondContact O-N 3.16Å; E43-I46 WeakPolarHBondContact O-CB 3.49Å; E43-I46 PolarHBondContact O-N 3.29Å; E43-I46 VanDerWaalsContact O-N 3.12Å; D44-I46 PolarHBondContact O-N 2.88Å; I46-Y48 PolarHBondContact O-N 3.48Å; I46-L49 PolarHBondContact O-N 3.12Å; I46-K50 HydrophobicContact CG2-CD 4.26Å; I46-K50 HydrophobicContact CG2-CG 4.5Å; I46-K50 WeakPolarHBondContact O-CG 3.32Å; I46-K50 PolarHBondContact O-N 3.35Å
47N95.9Very high92.9Very high73 Ų73107.4 Ų107.439%0.3951%0.506SS..Hα-helixtrans-64-41.1179-72.5-31.8000112.1E43 D44 K50 H51E43-N47 PolarHBondContact O-N 2.89Å; E43-N47 PolarHBondContact O-ND2 3.23Å; D44-N47 PolarHBondContact O-N 3.28Å; N47-K50 PolarHBondContact O-N 3.26Å; N47-H51 PolarHBondContact O-N 2.95Å
48Y95.4Very high92.1Very high157 Ų157107.9 Ų107.962%0.61651%0.508SS*.Hα-helixtrans-59.1-47.3171.9178.7-99.6000112D44 I46 K50 H51 V52D44-Y48 WeakPolarHBondContact O-CB 3.41Å; D44-Y48 PolarHBondContact O-N 2.9Å; I46-Y48 PolarHBondContact O-N 3.48Å; Y48-K50 PolarHBondContact O-N 3.41Å; Y48-H51 WeakPolarHBondContact O-CB 3.48Å; Y48-H51 PolarHBondContact O-N 3.48Å; Y48-V52 HydrophobicContact CD1-CG2 4.18Å; Y48-V52 HydrophobicContact CE1-CG2 3.72Å; Y48-V52 HydrophobicContact CE2-CG2 4.24Å; Y48-V52 WeakPolarHBondContact O-CG2 3.5Å; Y48-V52 PolarHBondContact O-N 3.4Å
49L94.5Very high91.2Very high77 Ų77108.6 Ų108.640%0.40351%0.511SS..Hα-helixtrans-63.8-41.4179-72.1173.1000112.4R45 I46 H51 V52 I53R45-L49 HydrophobicContact CG-CD1 4.46Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.42Å; R45-L49 PolarHBondContact O-N 3.02Å; I46-L49 PolarHBondContact O-N 3.12Å; L49-H51 VanDerWaalsContact C-N 3.28Å; L49-H51 PolarHBondContact O-N 2.9Å; L49-V52 PolarHBondContact O-N 3.18Å; L49-I53 WeakPolarHBondContact O-CB 3.28Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3.15Å
50K94.2Very high89.8Confident130 Ų130104.6 Ų104.657%0.56551%0.506SS*.Hα-helixtrans-57.5-42.9173.1-75175.9-179.8170.60111.3I46 N47 Y48 I53 G54I46-K50 HydrophobicContact CG2-CD 4.26Å; I46-K50 HydrophobicContact CG2-CG 4.5Å; I46-K50 WeakPolarHBondContact O-CG 3.32Å; I46-K50 PolarHBondContact O-N 3.35Å; N47-K50 PolarHBondContact O-N 3.26Å; Y48-K50 PolarHBondContact O-N 3.41Å; K50-I53 PolarHBondContact O-N 3.34Å; K50-G54 PolarHBondContact O-N 3.21Å
51H92.2Very high88.3Confident119 Ų119106 Ų10655%0.55151%0.513SS*.Hα-helixtrans-63.8-45.1177.2-174.174.9000112.2N47 Y48 L49 G54 N55N47-H51 PolarHBondContact O-N 2.95Å; Y48-H51 WeakPolarHBondContact O-CB 3.48Å; Y48-H51 PolarHBondContact O-N 3.48Å; L49-H51 VanDerWaalsContact C-N 3.28Å; L49-H51 PolarHBondContact O-N 2.9Å; H51-G54 PolarHBondContact O-N 3.48Å; H51-N55 PolarHBondContact CD2-ND2 3.31Å; H51-N55 VanDerWaalsContact CD2-ND2 3.33Å; H51-N55 PolarHBondContact NE2-ND2 2.87Å; H51-N55 PolarHBondContact O-N 3.33Å; H51-N55 PolarHBondContact O-ND2 3.4Å
52V91.9Very high86.7Confident46 Ų46106.6 Ų106.628%0.27952%0.518SS..Hα-helixtrans-60.9-47.1176.6172.90000111.2Y48 L49 G54 N55 L56Y48-V52 HydrophobicContact CD1-CG2 4.18Å; Y48-V52 HydrophobicContact CE1-CG2 3.72Å; Y48-V52 HydrophobicContact CE2-CG2 4.24Å; Y48-V52 WeakPolarHBondContact O-CG2 3.5Å; Y48-V52 PolarHBondContact O-N 3.4Å; L49-V52 PolarHBondContact O-N 3.18Å; V52-G54 PolarHBondContact O-N 3.48Å; V52-N55 PolarHBondContact O-N 3.39Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.41Å; V52-L56 WeakPolarHBondContact O-CG 3.45Å; V52-L56 PolarHBondContact O-N 2.95Å
53I89.8Confident84.8Confident111 Ų111102.6 Ų102.657%0.56952%0.515SS*.Hα-helixtrans-60.9-45.8178.4-68.2164.9000110.7L49 K50 N55 L56 D57L49-I53 WeakPolarHBondContact O-CB 3.28Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3.15Å; K50-I53 PolarHBondContact O-N 3.34Å; I53-N55 VanDerWaalsContact C-N 3.28Å; I53-N55 PolarHBondContact O-N 2.91Å; I53-L56 PolarHBondContact O-N 3.02Å; I53-L56 VanDerWaalsContact O-N 3.15Å; I53-D57 PolarHBondContact O-N 2.93Å
54G89.3Confident82.7Confident33 Ų33103.7 Ų103.734%0.3453%0.528SS..Hα-helixtrans-60.9-35.7177.100000113.3K50 H51 V52 R58K50-G54 PolarHBondContact O-N 3.21Å; H51-G54 PolarHBondContact O-N 3.48Å; V52-G54 PolarHBondContact O-N 3.48Å; G54-R58 WeakPolarHBondContact O-CB 3.37Å; G54-R58 PolarHBondContact O-N 2.99Å; G54-R58 VanDerWaalsContact O-N 3.09Å
55N86.8Confident80.6Confident63 Ų63103.4 Ų103.434%0.33753%0.532SS..Hα-helixtrans-72-36.7174.6-72-24.9000112.6H51 V52 I53 R58 R59H51-N55 PolarHBondContact CD2-ND2 3.31Å; H51-N55 VanDerWaalsContact CD2-ND2 3.33Å; H51-N55 PolarHBondContact NE2-ND2 2.87Å; H51-N55 PolarHBondContact O-N 3.33Å; H51-N55 PolarHBondContact O-ND2 3.4Å; V52-N55 PolarHBondContact O-N 3.39Å; I53-N55 VanDerWaalsContact C-N 3.28Å; I53-N55 PolarHBondContact O-N 2.91Å; N55-R58 PolarHBondContact OD1-NH1 3.09Å; N55-R59 WeakPolarHBondContact O-CB 3.49Å; N55-R59 PolarHBondContact O-N 3Å
56L84.4Confident78.8Confident111 Ų11197.9 Ų97.958%0.58153%0.53SS*.Hα-helixtrans-65.2-45.2175.3-71.9173000111.4V52 I53 R59 G60V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.41Å; V52-L56 WeakPolarHBondContact O-CG 3.45Å; V52-L56 PolarHBondContact O-N 2.95Å; I53-L56 PolarHBondContact O-N 3.02Å; I53-L56 VanDerWaalsContact O-N 3.15Å; L56-R59 PolarHBondContact O-N 3.34Å; L56-G60 PolarHBondContact O-N 3.02Å
57D83Confident76.7Confident104 Ų104101 Ų10156%0.55655%0.552SS**Hα-helixtrans-60.6-45.8176.1-175.346000111.3I53 R59 G60 N61I53-D57 PolarHBondContact O-N 2.93Å; D57-R59 VanDerWaalsContact C-N 3.31Å; D57-R59 PolarHBondContact O-N 3.15Å; D57-G60 PolarHBondContact O-N 3.34Å; D57-N61 WeakPolarHBondContact O-CB 3.44Å; D57-N61 VanDerWaalsContact O-CG 3.3Å; D57-N61 PolarHBondContact O-N 3Å; D57-N61 PolarHBondContact O-ND2 3.2Å; D57-N61 VanDerWaalsContact O-ND2 3.15Å; D57-N61 PolarHBondContact OD1-ND2 3.43Å
58R77.7Confident74.7Confident173 Ų173102.5 Ų102.565%0.65357%0.568SS**Hα-helixtrans-59.2-40.5174.6-169.2-176.7-63.11362.3112.5G54 N55 A62G54-R58 WeakPolarHBondContact O-CB 3.37Å; G54-R58 PolarHBondContact O-N 2.99Å; G54-R58 VanDerWaalsContact O-N 3.09Å; N55-R58 PolarHBondContact OD1-NH1 3.09Å; R58-A62 WeakPolarHBondContact O-CB 3.48Å; R58-A62 PolarHBondContact O-N 3.09Å; R58-A62 VanDerWaalsContact O-N 3.11Å
59R75.1Confident72.8Confident190 Ų190102.6 Ų102.672%0.71757%0.574SS**Hα-helixtrans-70.8-41.2179.1-170.1178.3-177.1-171.20.6112N55 L56 D57 N61 A62 T63N55-R59 WeakPolarHBondContact O-CB 3.49Å; N55-R59 PolarHBondContact O-N 3Å; L56-R59 PolarHBondContact O-N 3.34Å; D57-R59 VanDerWaalsContact C-N 3.31Å; D57-R59 PolarHBondContact O-N 3.15Å; R59-N61 VanDerWaalsContact C-N 3.29Å; R59-N61 PolarHBondContact O-N 3.38Å; R59-A62 PolarHBondContact O-N 3.48Å; R59-T63 PolarHBondContact O-N 3.47Å; R59-T63 PolarHBondContact O-OG1 3.45Å
60G66.2Low71.2Confident43 Ų43107.7 Ų107.744%0.44359%0.593SS.*Hα-helixtrans-59.9-39.8175.100000112.1L56 D57 T63L56-G60 PolarHBondContact O-N 3.02Å; D57-G60 PolarHBondContact O-N 3.34Å; G60-T63 PolarHBondContact O-OG1 3.22Å; G60-T63 VanDerWaalsContact O-OG1 3.09Å
61N62.5Low69.6Low110 Ų110107.4 Ų107.459%0.58860%0.602SS**Hα-helixtrans-73.7-26.1176.9-67.1-30.1000113.6D57 R59 T63D57-N61 WeakPolarHBondContact O-CB 3.44Å; D57-N61 VanDerWaalsContact O-CG 3.3Å; D57-N61 PolarHBondContact O-N 3Å; D57-N61 PolarHBondContact O-ND2 3.2Å; D57-N61 VanDerWaalsContact O-ND2 3.15Å; D57-N61 PolarHBondContact OD1-ND2 3.43Å; R59-N61 VanDerWaalsContact C-N 3.29Å; R59-N61 PolarHBondContact O-N 3.38Å; N61-T63 VanDerWaalsContact C-N 3.34Å
62A61Low68Low71 Ų71109.7 Ų109.759%0.58762%0.619SS**Hα-helixtrans-75.1-19.7178.700000113.6R58 R59 T64R58-A62 WeakPolarHBondContact O-CB 3.48Å; R58-A62 PolarHBondContact O-N 3.09Å; R58-A62 VanDerWaalsContact O-N 3.11Å; R59-A62 PolarHBondContact O-N 3.48Å; A62-T64 PolarHBondContact O-N 3.11Å
63T55.5Low66.6Low102 Ų102114.6 Ų114.663%0.62668%0.679SS**THydrogen-bonded Turntrans-89.314.7-173.746.70000115.8R59 G60 N61 P65R59-T63 PolarHBondContact O-N 3.47Å; R59-T63 PolarHBondContact O-OG1 3.45Å; G60-T63 PolarHBondContact O-OG1 3.22Å; G60-T63 VanDerWaalsContact O-OG1 3.09Å; N61-T63 VanDerWaalsContact C-N 3.34Å; T63-P65 VanDerWaalsContact C-CD 3.48Å
64T54.2Low65.4Low116 Ų116114.8 Ų114.871%0.71268%0.684SS**  trans-126.170.1164.828.70000112.1A62 G66A62-T64 PolarHBondContact O-N 3.11Å; T64-G66 VanDerWaalsContact C-N 3.27Å; T64-G66 PolarHBondContact O-N 2.92Å; T64-G66 VanDerWaalsContact O-N 3.14Å
65P51.5Low64.1Low104 Ų104119.1 Ų119.168%0.67570%0.703SS**  trans-65.5103.91406.611.4000104.7T63 T67T63-P65 VanDerWaalsContact C-CD 3.48Å; P65-T67 PolarHBondContact O-N 2.98Å
66G56.8Low62.9Low61 Ų61122.2 Ų122.263%0.62972%0.723SS**  trans-44.1117.917600000108.8T64 S68T64-G66 VanDerWaalsContact C-N 3.27Å; T64-G66 PolarHBondContact O-N 2.92Å; T64-G66 VanDerWaalsContact O-N 3.14Å; G66-S68 PolarHBondContact O-N 3.01Å
67T51.8Low61.6Low126 Ų126122.9 Ų122.977%0.77373%0.731SS**  trans-63.177.2161.2-33.30000105.5P65 E69P65-T67 PolarHBondContact O-N 2.98Å; T67-E69 HydrophobicContact CG2-CG 4.25Å; T67-E69 PolarHBondContact O-N 3.14Å
68S55.3Low60.3Low105 Ų105124.1 Ų124.173%0.73474%0.742SS**  trans-72.775.7158.2-740000105G66 K70G66-S68 PolarHBondContact O-N 3.01Å; S68-K70 PolarHBondContact O-N 2.86Å
69E55.2Low59.1Low159 Ų159120.8 Ų120.874%0.74375%0.748SS**  trans-56.191.5147-88.9176.6165.700105.1T67 T71T67-E69 HydrophobicContact CG2-CG 4.25Å; T67-E69 PolarHBondContact O-N 3.14Å; E69-T71 PolarHBondContact O-N 2.73Å
70K60.9Low58Low185 Ų185115.9 Ų115.980%0.80475%0.75SS**  trans-68.893.5150.8-72.5-172.7178.3-1770103.8S68 D72S68-K70 PolarHBondContact O-N 2.86Å; K70-D72 PolarHBondContact O-N 3.31Å
71T59.5Low57.4Low123 Ų123121.5 Ų121.576%0.75577%0.774SS**  trans-52.7118.3161.545.20000107.1E69 G73E69-T71 PolarHBondContact O-N 2.73Å; T71-G73 PolarHBondContact O-N 3.18Å
72D58.8Low56.9Low168 Ų168122.4 Ų122.490%0.89879%0.789SS**  trans-55123.8173.9-59.2-41.6000109.5K70K70-D72 PolarHBondContact O-N 3.31Å
73G62.6Low56.6Low149 Ų149127.1 Ų127.1100%1.53681%0.808SS**  trans-152.50168.600000108.5T71T71-G73 PolarHBondContact O-N 3.18Å

Retrieved 73 of 73 residues in 55.5 ms (Link to these results)