A0A2K6A054_MANLE Loading...

Spermatosis associated 45

AlphaFold DB , UniProt , Accession A0A2K6A054, Species MANLE (Mandrillus leucophaeus, Drill), Gene SPATA45, Length 98 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
1M46.6Very low56.1Low208 Ų208116 Ų116100%1.02561%0.608SS**  0-22.80-68.8175.579.900114.3S3M1-S3 PolarHBondContact O-N 3.03Å
2A45.5Very low56.7Low81 Ų81121.2 Ų121.267%0.66962%0.622SS**Hα-helixtrans-70.4-21.4-176.500000116.7
3S52.8Low57.1Low84 Ų84125.4 Ų125.459%0.58763%0.633SS**Hα-helixtrans-77.9-29.2-177.483.80000113.3M1 N5 R6 T7M1-S3 PolarHBondContact O-N 3.03Å; S3-N5 VanDerWaalsContact C-N 3.33Å; S3-N5 PolarHBondContact O-N 3.26Å; S3-R6 PolarHBondContact O-N 3.3Å; S3-T7 PolarHBondContact O-N 2.6Å; S3-T7 PolarHBondContact O-OG1 3.48Å; S3-T7 VanDerWaalsContact O-OG1 3.1Å
4I53.2Low57Low104 Ų104122.9 Ų122.953%0.53362%0.618SS.*Hα-helixtrans-66.4-40.1-179.1-62.1170.7000109.9R6 T7 I8I4-R6 PolarHBondContact O-N 3.09Å; I4-T7 PolarHBondContact O-N 2.81Å; I4-I8 HydrophobicContact CG2-CD1 3.84Å; I4-I8 WeakPolarHBondContact O-CG1 3.3Å; I4-I8 PolarHBondContact O-N 2.89Å
5N56Low56.7Low103 Ų103118.8 Ų118.855%0.55162%0.619SS**Hα-helixtrans-65.6-38.6177.7-66-10.4000111.8S3 T7 I8 E9S3-N5 VanDerWaalsContact C-N 3.33Å; S3-N5 PolarHBondContact O-N 3.26Å; N5-T7 PolarHBondContact O-N 2.91Å; N5-I8 PolarHBondContact O-N 2.95Å; N5-E9 WeakPolarHBondContact O-CG 3.43Å; N5-E9 PolarHBondContact O-N 3.4Å
6R58.7Low56.8Low192 Ų192118.8 Ų118.873%0.72563%0.626SS**Hα-helixtrans-60.2-43.5172.9-85.3-178.1176.6156.60112S3 I4 E9 I10S3-R6 PolarHBondContact O-N 3.3Å; I4-R6 PolarHBondContact O-N 3.09Å; R6-E9 PolarHBondContact O-N 3.1Å; R6-I10 WeakPolarHBondContact O-CD1 3.42Å; R6-I10 WeakPolarHBondContact O-CG1 3.13Å; R6-I10 PolarHBondContact O-N 2.66Å
7T57.6Low57.4Low78 Ų78114.9 Ų114.948%0.47961%0.61SS.*Hα-helixtrans-66.2-40.2179.3-46.60000111.6S3 I4 N5 I10 I11S3-T7 PolarHBondContact O-N 2.6Å; S3-T7 PolarHBondContact O-OG1 3.48Å; S3-T7 VanDerWaalsContact O-OG1 3.1Å; I4-T7 PolarHBondContact O-N 2.81Å; N5-T7 PolarHBondContact O-N 2.91Å; T7-I10 PolarHBondContact O-N 3.03Å; T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 WeakPolarHBondContact O-CB 3.36Å; T7-I11 WeakPolarHBondContact O-CD1 3.49Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.2Å
8I62.4Low57.9Low86 Ų86117.6 Ų117.644%0.44162%0.616SS.*Hα-helixtrans-66.4-39.3177.5-67.1167.4000111.3I4 N5 I11 K12I4-I8 HydrophobicContact CG2-CD1 3.84Å; I4-I8 WeakPolarHBondContact O-CG1 3.3Å; I4-I8 PolarHBondContact O-N 2.89Å; N5-I8 PolarHBondContact O-N 2.95Å; I8-I11 PolarHBondContact O-N 3.28Å; I8-K12 WeakPolarHBondContact O-CB 3.09Å; I8-K12 PolarHBondContact O-N 3.15Å
9E61.4Low58.2Low134 Ų134118.3 Ų118.363%0.62662%0.616SS**Hα-helixtrans-68.1-37.5175.5-74.9-162.9174.100113N5 R6 K12 K13N5-E9 WeakPolarHBondContact O-CG 3.43Å; N5-E9 PolarHBondContact O-N 3.4Å; R6-E9 PolarHBondContact O-N 3.1Å; E9-K12 PolarHBondContact O-N 2.88Å; E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 2.97Å
10I61Low58.8Low95 Ų95117.5 Ų117.549%0.48761%0.608SS.*Hα-helixtrans-62.7-46.2172.5-69164000109.8R6 T7 K12 K13 H14R6-I10 WeakPolarHBondContact O-CD1 3.42Å; R6-I10 WeakPolarHBondContact O-CG1 3.13Å; R6-I10 PolarHBondContact O-N 2.66Å; T7-I10 PolarHBondContact O-N 3.03Å; I10-K12 PolarHBondContact O-N 2.99Å; I10-K13 PolarHBondContact O-N 2.79Å; I10-H14 WeakPolarHBondContact O-CB 3.45Å; I10-H14 PolarHBondContact O-N 2.91Å; I10-H14 PolarHBondContact O-ND1 3.3Å
11I61.6Low59.4Low111 Ų111115.1 Ų115.157%0.56960%0.596SS**Hα-helixtrans-62.8-41.4177.6-68.6164.3000111.3T7 I8 H14 G15T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 WeakPolarHBondContact O-CB 3.36Å; T7-I11 WeakPolarHBondContact O-CD1 3.49Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.2Å; I8-I11 PolarHBondContact O-N 3.28Å; I11-H14 CarbonylContact O-C 3.45Å; I11-H14 PolarHBondContact O-N 3.3Å; I11-G15 PolarHBondContact O-N 3.18Å
12K63.9Low60.5Low178 Ų178109.4 Ų109.477%0.77457%0.57SS**Hα-helixtrans-64-42.8174.6-95.7-176.1172.2-179.20112.2I8 E9 I10 H14 G15I8-K12 WeakPolarHBondContact O-CB 3.09Å; I8-K12 PolarHBondContact O-N 3.15Å; E9-K12 PolarHBondContact O-N 2.88Å; I10-K12 PolarHBondContact O-N 2.99Å; K12-H14 VanDerWaalsContact C-N 3.34Å; K12-G15 PolarHBondContact O-N 3.44Å
13K61.7Low61.6Low176 Ų176109.7 Ų109.777%0.76556%0.557SS**Hα-helixtrans-66.9-33.1175.4-85.5-167.1171.8-175.40112.9E9 I10E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 2.97Å; I10-K13 PolarHBondContact O-N 2.79Å
14H54.9Low62.4Low90 Ų90109.6 Ų109.642%0.41755%0.547SS..THydrogen-bonded Turntrans-95.612.9-179.9-6464.9000112.8I10 I11 K12 V16I10-H14 WeakPolarHBondContact O-CB 3.45Å; I10-H14 PolarHBondContact O-N 2.91Å; I10-H14 PolarHBondContact O-ND1 3.3Å; I11-H14 CarbonylContact O-C 3.45Å; I11-H14 PolarHBondContact O-N 3.3Å; K12-H14 VanDerWaalsContact C-N 3.34Å; H14-V16 PolarHBondContact O-N 3.05Å
15G53.6Low63.2Low62 Ų62109.1 Ų109.164%0.63955%0.545SS*.THydrogen-bonded Turntrans-63-14.2169.500000112.8I11 K12 S17I11-G15 PolarHBondContact O-N 3.18Å; K12-G15 PolarHBondContact O-N 3.44Å; G15-S17 VanDerWaalsContact C-N 3.28Å; G15-S17 PolarHBondContact O-N 3.03Å
16V58Low63.6Low119 Ų119107.4 Ų107.472%0.72154%0.536SS*.SBendtrans-70.291.7162.7-1770000107.9H14H14-V16 PolarHBondContact O-N 3.05Å
17S66.6Low64Low52 Ų52106.5 Ų106.536%0.36454%0.537SS..  trans53.285.5166.4179.40000113.2G15 Q19 H20 L21G15-S17 VanDerWaalsContact C-N 3.28Å; G15-S17 PolarHBondContact O-N 3.03Å; S17-Q19 CarbonylContact O-C 3.57Å; S17-Q19 PolarHBondContact O-N 3.13Å; S17-Q19 WeakPolarHBondContact OG-CB 3.4Å; S17-H20 WeakPolarHBondContact O-CA 3.35Å; S17-H20 WeakPolarHBondContact O-CB 3.47Å; S17-H20 PolarHBondContact O-N 2.96Å; S17-H20 PolarHBondContact OG-N 2.9Å; S17-L21 PolarHBondContact O-N 2.97Å
18K66.3Low64.5Low163 Ų163110.3 Ų110.371%0.70955%0.547SS*.Hα-helixtrans-41.9-30.8161.5-178.4180177.7-177.80112.1L22K18-L22 HydrophobicContact CG-CD1 4.24Å; K18-L22 WeakPolarHBondContact O-CB 3.49Å; K18-L22 WeakPolarHBondContact O-CD1 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.48Å; K18-L22 PolarHBondContact O-N 2.94Å
19Q64.7Low64.4Low132 Ų132112.6 Ų112.662%0.61755%0.55SS*.Hα-helixtrans-65.2-44.8174-175.5174.12.600113.2S17 L21 L22 E23S17-Q19 CarbonylContact O-C 3.57Å; S17-Q19 PolarHBondContact O-N 3.13Å; S17-Q19 WeakPolarHBondContact OG-CB 3.4Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 3.25Å; Q19-L22 WeakPolarHBondContact O-CB 3.49Å; Q19-L22 PolarHBondContact O-N 3.35Å; Q19-E23 WeakPolarHBondContact O-CG 3.41Å; Q19-E23 PolarHBondContact O-N 2.78Å
20H70.3Confident64.2Low101 Ų101113.9 Ų113.947%0.46856%0.556SS.*Hα-helixtrans-60.5-42.6174.2-174.3-87.4000112.1S17 L22 E23 E24S17-H20 WeakPolarHBondContact O-CA 3.35Å; S17-H20 WeakPolarHBondContact O-CB 3.47Å; S17-H20 PolarHBondContact O-N 2.96Å; S17-H20 PolarHBondContact OG-N 2.9Å; H20-L22 VanDerWaalsContact C-N 3.34Å; H20-L22 PolarHBondContact O-N 3.03Å; H20-E23 PolarHBondContact O-N 3.12Å; H20-E24 IonicContact CE1-OE1 3.61Å; H20-E24 PolarHBondContact O-N 3.22Å
21L70.9Confident63.9Low69 Ų69113.3 Ų113.336%0.36156%0.56SS.*Hα-helixtrans-63.3-40.4175.5179.662.8000111.9S17 Q19 E24 I25S17-L21 PolarHBondContact O-N 2.97Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 3.25Å; L21-E24 PolarHBondContact O-N 3.44Å; L21-I25 HydrophobicContact CD1-CD1 4.24Å; L21-I25 HydrophobicContact CG-CD1 4.06Å; L21-I25 WeakPolarHBondContact O-CD1 3.2Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.12Å; L21-I25 VanDerWaalsContact O-N 3.13Å
22L68.8Low63.5Low88 Ų88114.7 Ų114.746%0.46157%0.569SS.*Hα-helixtrans-65.5-39176.2-74.2167.8000111.9K18 Q19 H20 I25 N26K18-L22 HydrophobicContact CG-CD1 4.24Å; K18-L22 WeakPolarHBondContact O-CB 3.49Å; K18-L22 WeakPolarHBondContact O-CD1 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.48Å; K18-L22 PolarHBondContact O-N 2.94Å; Q19-L22 WeakPolarHBondContact O-CB 3.49Å; Q19-L22 PolarHBondContact O-N 3.35Å; H20-L22 VanDerWaalsContact C-N 3.34Å; H20-L22 PolarHBondContact O-N 3.03Å; L22-I25 PolarHBondContact O-N 3.47Å; L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 2.79Å
23E70.1Confident62.7Low87 Ų87109 Ų10941%0.40755%0.551SS.*Hα-helixtrans-63.1-43.4175.7-76174.4-161.100112.3Q19 H20 N26 K27Q19-E23 WeakPolarHBondContact O-CG 3.41Å; Q19-E23 PolarHBondContact O-N 2.78Å; H20-E23 PolarHBondContact O-N 3.12Å; E23-N26 PolarHBondContact O-N 2.95Å; E23-K27 WeakPolarHBondContact O-CG 3.45Å; E23-K27 PolarHBondContact O-N 3.19Å
24E68.9Low62.2Low82 Ų82106.9 Ų106.938%0.38355%0.548SS..Hα-helixtrans-63.3-42.1175.5-77.4-149.9179.900112.9H20 L21 N26 K27 K28H20-E24 IonicContact CE1-OE1 3.61Å; H20-E24 PolarHBondContact O-N 3.22Å; L21-E24 PolarHBondContact O-N 3.44Å; E24-N26 VanDerWaalsContact C-N 3.31Å; E24-N26 PolarHBondContact O-N 3.47Å; E24-K27 PolarHBondContact O-N 2.9Å; E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 3.28Å; E24-K28 IonicContact OE2-NZ 3.37Å; E24-K28 PolarHBondContact OE2-NZ 2.84Å
25I69.6Low62Low93 Ų93109 Ų10948%0.47757%0.566SS.*Hα-helixtrans-63.3-41.1177.9-69167000110.2L21 L22 K28 R29L21-I25 HydrophobicContact CD1-CD1 4.24Å; L21-I25 HydrophobicContact CG-CD1 4.06Å; L21-I25 WeakPolarHBondContact O-CD1 3.2Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.12Å; L21-I25 VanDerWaalsContact O-N 3.13Å; L22-I25 PolarHBondContact O-N 3.47Å; I25-K28 PolarHBondContact O-N 3.05Å; I25-R29 PolarHBondContact O-N 2.76Å
26N64.6Low61.9Low68 Ų68111.3 Ų111.336%0.36456%0.561SS.*Hα-helixtrans-66.1-41.1177-72.8-24.4000112.2L22 E23 E24 K28 R29 L44L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 2.79Å; E23-N26 PolarHBondContact O-N 2.95Å; E24-N26 VanDerWaalsContact C-N 3.31Å; E24-N26 PolarHBondContact O-N 3.47Å; N26-K28 VanDerWaalsContact C-N 3.32Å; N26-K28 PolarHBondContact O-N 3.06Å; N26-R29 WeakPolarHBondContact O-CB 3.45Å; N26-R29 PolarHBondContact O-N 3.37Å; N26-L44 WeakPolarHBondContact ND2-CD1 3.45Å
27K67.9Low61.5Low172 Ų172115.6 Ų115.675%0.74856%0.564SS**Hα-helixtrans-63.2-36176.4-74.7173.7-176.9173.10112.9E23 E24 R29E23-K27 WeakPolarHBondContact O-CG 3.45Å; E23-K27 PolarHBondContact O-N 3.19Å; E24-K27 PolarHBondContact O-N 2.9Å; K27-R29 VanDerWaalsContact C-N 3.31Å
28K66.3Low60.7Low158 Ų158116.7 Ų116.769%0.68757%0.572SS**Hα-helixtrans-79.6-11.7178.1-71.9172.6179.8161.40113.3E24 I25 N26 E30E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 3.28Å; E24-K28 IonicContact OE2-NZ 3.37Å; E24-K28 PolarHBondContact OE2-NZ 2.84Å; I25-K28 PolarHBondContact O-N 3.05Å; N26-K28 VanDerWaalsContact C-N 3.32Å; N26-K28 PolarHBondContact O-N 3.06Å; K28-E30 PolarHBondContact O-N 3Å
29R61.9Low60.2Low134 Ų134116.6 Ų116.651%0.50658%0.579SS.*SBendtrans-79.2104.3179.3-161.2176.9-171.5179.4-0.6108.4I25 N26 K27 S31I25-R29 PolarHBondContact O-N 2.76Å; N26-R29 WeakPolarHBondContact O-CB 3.45Å; N26-R29 PolarHBondContact O-N 3.37Å; K27-R29 VanDerWaalsContact C-N 3.31Å; R29-S31 PolarHBondContact O-N 3.48Å
30E55.5Low59.6Low161 Ų161118.8 Ų118.875%0.75259%0.589SS**  trans-58109.2169.5-71.9-174.8179.800109.2K28 N32K28-E30 PolarHBondContact O-N 3Å; E30-N32 PolarHBondContact O-N 2.97Å; E30-N32 PolarHBondContact OE2-ND2 3.07Å
31S56.5Low58.5Low83 Ų83118.7 Ų118.758%0.5860%0.595SS**  trans-78.162.1178.9620000110.3R29 C33R29-S31 PolarHBondContact O-N 3.48Å; S31-C33 PolarHBondContact O-N 3.4Å
32N51.6Low57.7Low140 Ų140121 Ų12175%0.74962%0.617SS**  trans-76.827.5172.4-77-35.7000112.4E30E30-N32 PolarHBondContact O-N 2.97Å; E30-N32 PolarHBondContact OE2-ND2 3.07Å
33C48.7Very low56.9Low59 Ų59123.6 Ų123.640%0.39963%0.631SS.*  trans-101.8110.1169.7-1730000108.4S31 V35 E36S31-C33 PolarHBondContact O-N 3.4Å; C33-V35 PolarHBondContact O-N 3.35Å; C33-E36 PolarHBondContact O-N 3.19Å; C33-E36 VanDerWaalsContact O-N 3.12Å
34L49.8Very low56.1Low132 Ų132124.5 Ų124.569%0.69164%0.638SS**THydrogen-bonded Turntrans-58.4-12.7179.9-68.1168.1000114
35V50.8Low55.3Low134 Ų134131.8 Ų131.881%0.81266%0.662SS**THydrogen-bonded Turntrans-87.1-23.8-178.7-173.80000112.6C33C33-V35 PolarHBondContact O-N 3.35Å
36E52.9Low54.4Low111 Ų111133.4 Ų133.452%0.51968%0.676SS.*  trans-106.438.7-174.2-64.2-174.2171.800112.6C33 S38C33-E36 PolarHBondContact O-N 3.19Å; C33-E36 VanDerWaalsContact O-N 3.12Å; E36-S38 PolarHBondContact O-N 3.44Å; E36-S38 VanDerWaalsContact O-N 3.15Å
37R48.2Very low53.8Low208 Ų208135.4 Ų135.479%0.78568%0.683SS**  trans-69.4-4.4-178.1-91.9-174.1174.8132.9-4.3115.7
38S51Low52.8Low76 Ų76136.7 Ų136.753%0.53169%0.689SS.*  trans-114.6109.6176.7178.30000111E36 Q40E36-S38 PolarHBondContact O-N 3.44Å; E36-S38 VanDerWaalsContact O-N 3.15Å; S38-Q40 PolarHBondContact O-N 3.22Å
39N55.1Low52.2Low160 Ų160137 Ų13786%0.85669%0.685SS**  trans-79.59176.4-118-16.5000113.2V41N39-V41 PolarHBondContact O-N 2.99Å
40Q51.9Low51.5Low179 Ų179139.7 Ų139.784%0.83670%0.703SS**  trans-82.516.2179-70-157.6-3.200114.2S38 S42S38-Q40 PolarHBondContact O-N 3.22Å; Q40-S42 PolarHBondContact O-N 2.89Å
41V48.3Very low51.2Low98 Ų98138.7 Ų138.759%0.59470%0.696SS**  trans-94.791.4172.1-159.10000107.6N39 L43N39-V41 PolarHBondContact O-N 2.99Å; V41-L43 PolarHBondContact O-N 3.37Å
42S52.9Low51Low117 Ų117141.2 Ų141.282%0.81871%0.711SS**SBendtrans-62.1-3.5-179.250.10000114.5Q40Q40-S42 PolarHBondContact O-N 2.89Å
43L52.3Low51.1Low143 Ų143139.9 Ų139.975%0.74971%0.713SS**SBendtrans-135.988.5177.1-65.3171.3000108.9V41 R45V41-L43 PolarHBondContact O-N 3.37Å; L43-R45 PolarHBondContact O-N 3.41Å
44L53.3Low51.2Low107 Ų107140.8 Ų140.856%0.5672%0.724SS**  trans-52.5111.9161.7-71.6166.2000107.4N26 V46N26-L44 WeakPolarHBondContact ND2-CD1 3.45Å; L44-V46 PolarHBondContact O-N 2.98Å; L44-V46 VanDerWaalsContact O-N 3.13Å
45R51.9Low51.1Low235 Ų235139.6 Ų139.689%0.88773%0.726SS**  trans-49.7125.4170.3-141.1-179.4-159.8135.81.8106.2L43 Q47L43-R45 PolarHBondContact O-N 3.41Å; R45-Q47 PolarHBondContact O-N 2.85Å
46V51.1Low51.1Low127 Ų127141.7 Ų141.777%0.7773%0.727SS**  trans-52.8105.1177.2177.60000106.8L44 K48L44-V46 PolarHBondContact O-N 2.98Å; L44-V46 VanDerWaalsContact O-N 3.13Å; V46-K48 PolarHBondContact O-N 3.35Å
47Q51.6Low50.9Low109 Ų109140.7 Ų140.751%0.50973%0.732SS.*  trans-61.1117173.8-79.7-174.8-16.200104.7R45 R49R45-Q47 PolarHBondContact O-N 2.85Å; Q47-R49 PolarHBondContact O-N 2.87Å
48K47.8Very low51.1Low200 Ų200140.1 Ų140.187%0.8774%0.736SS**  trans-65.865.9-178.5-155-176.2-170.5-175.60108.6V46 H50V46-K48 PolarHBondContact O-N 3.35Å; K48-H50 PolarHBondContact O-N 3.27Å
49R51.9Low51Low165 Ų165141.7 Ų141.762%0.62374%0.742SS**  trans-63.8134.7167.1-69.4-167.6177.8-157.9-0.1105.3Q47 F51Q47-R49 PolarHBondContact O-N 2.87Å; R49-F51 HydrophobicContact CB-CD2 3.64Å; R49-F51 HydrophobicContact CB-CE2 3.81Å; R49-F51 PolarHBondContact O-N 2.76Å
50H48.6Very low50.8Low190 Ų190142 Ų14288%0.8874%0.738SS**SBendtrans-63.264.1-179.1-62.2-90.2000111.5K48K48-H50 PolarHBondContact O-N 3.27Å
51F48.3Very low50.6Low139 Ų139138.9 Ų138.961%0.6173%0.732SS**  trans-102108.2169.6-76.7-76.3000106.7R49 S53 A54R49-F51 HydrophobicContact CB-CD2 3.64Å; R49-F51 HydrophobicContact CB-CE2 3.81Å; R49-F51 PolarHBondContact O-N 2.76Å; F51-S53 PolarHBondContact O-N 3.32Å; F51-S53 VanDerWaalsContact O-N 3.09Å; F51-A54 HydrophobicContact CB-CB 4.42Å
52P53.1Low50.8Low137 Ų137138.8 Ų138.889%0.8973%0.731SS**THydrogen-bonded Turntrans-64.7-15.1-174.8-20.231.7000113.9
53S52.8Low50.8Low111 Ų111140.2 Ų140.278%0.77674%0.735SS**THydrogen-bonded Turntrans-117.71.5-16557.20000116.3F51F51-S53 PolarHBondContact O-N 3.32Å; F51-S53 VanDerWaalsContact O-N 3.09Å
54A50.7Low51.1Low78 Ų78141.8 Ų141.865%0.64574%0.736SS**  trans-105.66.3-171.100000115.8F51F51-A54 HydrophobicContact CB-CB 4.42Å
55C47.4Very low51.3Low107 Ų107145 Ų14572%0.72375%0.748SS**  trans-110.663.7177.8-73.90000111.8S57C55-S57 VanDerWaalsContact C-N 3.29Å
56Q51Low51.7Low178 Ų178140 Ų14083%0.83275%0.746SS**  trans-97.669.4146.1-73.1-174.85.300107F58Q56-F58 PolarHBondContact O-N 3.43Å; Q56-F58 VanDerWaalsContact O-N 3.12Å
57S50.1Low52.3Low90 Ų90141.2 Ų141.263%0.62975%0.747SS**  trans-65.1109.8160.751.60000105.7C55 T59C55-S57 VanDerWaalsContact C-N 3.29Å; S57-T59 VanDerWaalsContact C-N 3.28Å; S57-T59 PolarHBondContact O-N 3.05Å
58F52.2Low52.9Low196 Ų196141.5 Ų141.586%0.8676%0.758SS**  trans-52.396.7168.7-100-99.1000108.3Q56 H60Q56-F58 PolarHBondContact O-N 3.43Å; Q56-F58 VanDerWaalsContact O-N 3.12Å; F58-H60 PolarHBondContact O-N 2.66Å
59T49.4Very low53.8Low109 Ų109136.3 Ų136.367%0.66974%0.74SS**  trans-75.285.6166.544.40000106.1S57 T61S57-T59 VanDerWaalsContact C-N 3.28Å; S57-T59 PolarHBondContact O-N 3.05Å; T59-T61 PolarHBondContact O-N 2.86Å
60H50.1Low54.7Low166 Ų166134.2 Ų134.277%0.76975%0.75SS**  trans-69.679.7158.9-147.9-73.1000106.3F58 T62F58-H60 PolarHBondContact O-N 2.66Å; H60-T62 VanDerWaalsContact C-N 3.26Å; H60-T62 PolarHBondContact O-N 3.47Å
61T48.1Very low55.9Low115 Ų115126.8 Ų126.871%0.70673%0.726SS**  trans-68.590.9171.740.10000107T59 T63T59-T61 PolarHBondContact O-N 2.86Å; T61-T63 PolarHBondContact O-N 3.41Å
62T52Low56.8Low95 Ų95132.1 Ų132.158%0.58374%0.741SS**  trans-64.6117.4155.250.80000105.9H60 K64H60-T62 VanDerWaalsContact C-N 3.26Å; H60-T62 PolarHBondContact O-N 3.47Å; T62-K64 PolarHBondContact O-N 3.37Å
63T52.9Low57.5Low148 Ų148128.5 Ų128.591%0.90872%0.719SS**  trans-60.789.9170.416.30000107.7T61T61-T63 PolarHBondContact O-N 3.41Å
64K59.1Low58.2Low175 Ų175125.9 Ų125.976%0.76170%0.701SS**  trans-78.1138.1164.3-69.6-80.6179.9176.60107T62T62-K64 PolarHBondContact O-N 3.37Å
65E57.3Low58.7Low176 Ų176133.4 Ų133.482%0.82271%0.713SS**  trans-50.2143174.2-82.8-177.8144.400111I67E65-I67 PolarHBondContact O-N 2.93Å
66P61.3Low59.6Low128 Ų128133 Ų13383%0.83171%0.707SS**  trans-64.9111.6-18025.9-31.6000109.5
67I62.5Low60.3Low153 Ų153134 Ų13479%0.78571%0.709SS**  trans-69.7128.6171-59.2166.6000107E65 D69E65-I67 PolarHBondContact O-N 2.93Å; I67-D69 PolarHBondContact O-N 2.99Å
68P65.5Low60.8Low116 Ų116137 Ų13775%0.75372%0.717SS**  trans-62.6127.5177.921.9-29.6000110.4S70P68-S70 PolarHBondContact O-N 3.09Å; P68-S70 VanDerWaalsContact O-N 3.09Å
69D66.4Low61.3Low91 Ų91131.7 Ų131.749%0.48770%0.704SS.*  trans-70104-179.9-174.58000109.9I67 G71 S73 S74I67-D69 PolarHBondContact O-N 2.99Å; D69-G71 WeakPolarHBondContact OD1-CA 3.41Å; D69-G71 PolarHBondContact OD1-N 3.38Å; D69-S73 PolarHBondContact OD1-OG 2.95Å; D69-S73 VanDerWaalsContact OD2-CB 3.3Å; D69-S73 WeakPolarHBondContact OD2-CB 3.2Å; D69-S73 PolarHBondContact OD2-OG 3.42Å; D69-S74 WeakPolarHBondContact O-CB 3.21Å
70S69.2Low61.7Low120 Ų120134.8 Ų134.884%0.83972%0.716SS**  trans-94.77.6172.4-176.10000112.3P68P68-S70 PolarHBondContact O-N 3.09Å; P68-S70 VanDerWaalsContact O-N 3.09Å
71G73.8Confident61.9Low35 Ų35133.9 Ų133.936%0.36172%0.716SS.*SBendtrans-81.2-173.9-177.500000113.6D69 S73 S74D69-G71 WeakPolarHBondContact OD1-CA 3.41Å; D69-G71 PolarHBondContact OD1-N 3.38Å; G71-S73 PolarHBondContact O-N 3.1Å; G71-S74 WeakPolarHBondContact O-CB 3.32Å; G71-S74 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-OG 2.66Å
72R69.2Low62.4Low250 Ų250131.9 Ų131.994%0.94371%0.711SS**THydrogen-bonded Turntrans-63.5-20.6176.6-69.1179.7176.3169.1-1.8113.5S74R72-S74 VanDerWaalsContact C-N 3.32Å
73S66.3Low62.5Low61 Ų61135.8 Ų135.843%0.42772%0.722SS.*THydrogen-bonded Turntrans-81.6-6.6174.741.70000113.9D69 G71 W75 V76D69-S73 PolarHBondContact OD1-OG 2.95Å; D69-S73 VanDerWaalsContact OD2-CB 3.3Å; D69-S73 WeakPolarHBondContact OD2-CB 3.2Å; D69-S73 PolarHBondContact OD2-OG 3.42Å; G71-S73 PolarHBondContact O-N 3.1Å; S73-W75 PolarHBondContact O-N 3.47Å; S73-W75 VanDerWaalsContact O-N 3.1Å; S73-V76 WeakPolarHBondContact O-CB 3.45Å; S73-V76 PolarHBondContact O-N 3.02Å
74S67.4Low62.8Low57 Ų57134.8 Ų134.840%0.39972%0.716SS.*THydrogen-bonded Turntrans-56.5-27.8-179.357.30000114.4D69 G71 R72D69-S74 WeakPolarHBondContact O-CB 3.21Å; G71-S74 WeakPolarHBondContact O-CB 3.32Å; G71-S74 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-OG 2.66Å; R72-S74 VanDerWaalsContact C-N 3.32Å
75W62.3Low63.1Low236 Ų236134.3 Ų134.389%0.89472%0.716SS**THydrogen-bonded Turntrans-88.8-10.1178-62.194.3000113.8S73 K77S73-W75 PolarHBondContact O-N 3.47Å; S73-W75 VanDerWaalsContact O-N 3.1Å; W75-K77 PolarHBondContact O-N 3.24Å
76V65.6Low63.5Low99 Ų99137.3 Ų137.360%0.672%0.72SS**  trans-81.291.1-179-175.70000108.3S73 L78S73-V76 WeakPolarHBondContact O-CB 3.45Å; S73-V76 PolarHBondContact O-N 3.02Å; V76-L78 PolarHBondContact O-N 3.34Å
77K65.1Low63.8Low197 Ų197139.7 Ų139.786%0.85772%0.718SS**  trans-67.4102.8162.4-89.1179.9177175.10107.8W75 S79W75-K77 PolarHBondContact O-N 3.24Å; K77-S79 PolarHBondContact O-N 3.48Å
78L61.5Low64.5Low153 Ų153141 Ų14180%0.80172%0.72SS**  trans-63.183.5158.6-80.2158.6000106.9V76 L80V76-L78 PolarHBondContact O-N 3.34Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 PolarHBondContact O-N 3.31Å
79S62.5Low64.9Low86 Ų86143.7 Ų143.760%0.60172%0.72SS**  trans-62.599.217056.50000106.9K77 L81K77-S79 PolarHBondContact O-N 3.48Å; S79-L81 PolarHBondContact O-N 3.46Å
80L57.1Low65.3Low173 Ų173144.5 Ų144.591%0.90673%0.73SS**  trans-60.6-7.4172.5-89.3146.1000112.6L78 A82L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 PolarHBondContact O-N 3.31Å; L80-A82 PolarHBondContact O-N 3.18Å
81L55.2Low65.5Low147 Ų147144.5 Ų144.577%0.7773%0.728SS**SBendtrans-91.396.6172.2-112.387.9000111.7S79 H83S79-L81 PolarHBondContact O-N 3.46Å; L81-H83 PolarHBondContact O-N 3.1Å
82A57.6Low65.5Low73 Ų73152 Ų15260%0.60375%0.75SS**  50.165.1118.400000116.7L80 T84L80-A82 PolarHBondContact O-N 3.18Å; A82-T84 PolarHBondContact O-N 3.24Å; A82-T84 VanDerWaalsContact O-N 3.1Å
83H53.9Low65.6Low178 Ų178147 Ų14782%0.82474%0.742SS**  trans-75.285.6142.8-8368.5000107.2L81 E85L81-H83 PolarHBondContact O-N 3.1Å; H83-E85 PolarHBondContact O-N 2.85Å
84T60.4Low65.6Low126 Ų126150.4 Ų150.477%0.77376%0.756SS**  trans-66.495.9159.446.90000106.1A82 R86A82-T84 PolarHBondContact O-N 3.24Å; A82-T84 VanDerWaalsContact O-N 3.1Å; T84-R86 PolarHBondContact O-N 3.41Å
85E64.7Low65.5Low165 Ų165151.1 Ų151.177%0.77177%0.765SS**  trans-46.5130.4169.7-66.2178.8171.900108.4H83 K87H83-E85 PolarHBondContact O-N 2.85Å; E85-K87 PolarHBondContact O-N 3.49Å
86R65.3Low65.6Low240 Ų240146.3 Ų146.391%0.90676%0.756SS**  trans-62.999.6177.2-83.3-176.1162-172.5-4.4108.1T84 H88T84-R86 PolarHBondContact O-N 3.41Å; R86-H88 PolarHBondContact O-N 3.25Å
87K69.3Low65.4Low177 Ų177150.9 Ų150.977%0.7777%0.768SS**  trans-70.8126.2173.6-64.6-175.3-179.6-179.60108.2E85 F89E85-K87 PolarHBondContact O-N 3.49Å; K87-F89 PolarHBondContact O-N 3.41Å
88H75.8Confident64.5Low181 Ų181148.9 Ų148.984%0.83880%0.803SS**SBendtrans-62.9-21.9174.7-75.8-81000113R86R86-H88 PolarHBondContact O-N 3.25Å
89F73.4Confident64.7Low172 Ų172148.7 Ų148.775%0.75480%0.803SS**SBendtrans-115.9139.9-178.4-60.1-75.1000110.6K87K87-F89 PolarHBondContact O-N 3.41Å
90P76.1Confident64.8Low108 Ų108151.9 Ų151.970%0.70181%0.813SS**PPolyproline II helixtrans-61.1149.3172.925.1-31.4000110.3K92P90-K92 PolarHBondContact O-N 3.11Å
91P73.1Confident65.2Low121 Ų121150.8 Ų150.879%0.78681%0.808SS**PPolyproline II helixtrans-58.4128.4175.323.1-30.4000109.5N93P91-N93 PolarHBondContact O-N 3.28Å; P91-N93 VanDerWaalsContact O-N 3.11Å
92K73Confident65.8Low191 Ų191151 Ų15183%0.8381%0.81SS**PPolyproline II helixtrans-59.1117.4176.6-76.1-175.8176.3-177.80108.8P90 N94P90-K92 PolarHBondContact O-N 3.11Å; K92-N94 PolarHBondContact O-N 3.27Å
93N71.8Confident66.3Low145 Ų145155.9 Ų155.978%0.77582%0.823SS**  trans-75.9106171.4-169.58.7000108.1P91 A95P91-N93 PolarHBondContact O-N 3.28Å; P91-N93 VanDerWaalsContact O-N 3.11Å; N93-A95 PolarHBondContact O-N 3.03Å
94N66.5Low67.2Low134 Ų134154.4 Ų154.472%0.71782%0.823SS**  trans-82.851.6175.3-64.9-26000110.4K92 I96K92-N94 PolarHBondContact O-N 3.27Å; N94-I96 VanDerWaalsContact C-N 3.32Å; N94-I96 PolarHBondContact O-N 3.06Å
95A65.8Low67.6Low71 Ų71156.4 Ų156.459%0.58783%0.827SS**  trans-7887.3171.400000108.1N93 F97N93-A95 PolarHBondContact O-N 3.03Å; A95-F97 VanDerWaalsContact C-N 3.28Å
96I62.9Low67.9Low136 Ų136155.8 Ų155.870%0.69783%0.831SS**  trans-85.2-5.3178.5-46.5175.8000111.1N94N94-I96 VanDerWaalsContact C-N 3.32Å; N94-I96 PolarHBondContact O-N 3.06Å
97F61.7Low68.1Low195 Ų195148.8 Ų148.886%0.85583%0.825SS**  trans-127.7108.9176.3-58.5-75.1000108.9A95A95-F97 VanDerWaalsContact C-N 3.28Å
98G47.6Very low68Low154 Ų154146.2 Ų146.2100%1.58883%0.83SS**  trans-98.70160.100000109.5

Retrieved 98 of 98 residues in 35.5 ms (Link to these results)