A0A087WTR4_HUMAN Loading...

Acyl-CoA synthetase medium chain family member 5

AlphaFold DB , UniProt , Accession A0A087WTR4, Species HUMAN (Homo sapiens, Human), Gene ACSM5, Length 74 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
1M55.6Low76.5Confident216 Ų216132.2 Ų132.2100%1.06462%0.623SS**  01220-63.9170.690.500108.1P3M1-P3 VanDerWaalsContact O-CD 3.23Å; M1-P3 WeakPolarHBondContact O-CD 3.27Å
2R75.8Confident76.4Confident177 Ų177126.2 Ų126.267%0.66861%0.612SS**  trans-89.2105-167.7-65.4169.774.8-164.94.3110.6W4 L5R2-W4 PolarHBondContact O-N 3.23Å; R2-L5 HydrophobicContact CB-CD1 4.22Å; R2-L5 PolarHBondContact O-N 2.83Å
3P72.6Confident76.4Confident107 Ų107124.3 Ų124.370%0.69561%0.606SS**Hα-helixtrans-64.7-25.4-175.225.8-34.2000112.9M1 L5 R6 H7M1-P3 VanDerWaalsContact O-CD 3.23Å; M1-P3 WeakPolarHBondContact O-CD 3.27Å; P3-L5 PolarHBondContact O-N 2.93Å; P3-R6 WeakPolarHBondContact O-CB 3.4Å; P3-R6 PolarHBondContact O-N 3.28Å; P3-H7 PolarHBondContact O-N 3.06Å
4W75.9Confident76.2Confident173 Ų173129.4 Ų129.466%0.65562%0.615SS**Hα-helixtrans-65.7-35.4177.7-169.974.9000113.4R2 R6 H7 L8R2-W4 PolarHBondContact O-N 3.23Å; W4-R6 VanDerWaalsContact C-N 3.32Å; W4-R6 PolarHBondContact O-N 2.94Å; W4-H7 PolarHBondContact O-N 3.43Å; W4-L8 HydrophobicContact CD2-CD1 3.97Å; W4-L8 HydrophobicContact CD2-CG 4.48Å; W4-L8 HydrophobicContact CE3-CD1 3.59Å; W4-L8 HydrophobicContact CH2-CD1 3.56Å; W4-L8 HydrophobicContact CZ2-CD1 3.9Å; W4-L8 HydrophobicContact CZ2-CD2 4.5Å; W4-L8 HydrophobicContact CZ2-CG 4.45Å; W4-L8 HydrophobicContact CZ3-CD1 3.38Å; W4-L8 PolarHBondContact O-N 3.19Å; W4-L8 VanDerWaalsContact O-N 3.11Å
5L76.3Confident75.6Confident83 Ų83127.5 Ų127.544%0.43561%0.61SS.*Hα-helixtrans-63.9-40.1175.5-113.2103000111.6R2 P3 H7 L8 V9R2-L5 HydrophobicContact CB-CD1 4.22Å; R2-L5 PolarHBondContact O-N 2.83Å; P3-L5 PolarHBondContact O-N 2.93Å; L5-H7 VanDerWaalsContact C-N 3.28Å; L5-H7 PolarHBondContact O-N 3.01Å; L5-L8 PolarHBondContact O-N 3.32Å; L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.12Å
6R78.1Confident74.6Confident177 Ų177123.6 Ų123.667%0.66860%0.601SS**Hα-helixtrans-62.4-39.6177.2-71.4179.7148.2-169.6-7.3111.1P3 W4 V9 L10P3-R6 WeakPolarHBondContact O-CB 3.4Å; P3-R6 PolarHBondContact O-N 3.28Å; W4-R6 VanDerWaalsContact C-N 3.32Å; W4-R6 PolarHBondContact O-N 2.94Å; R6-V9 PolarHBondContact O-N 3.39Å; R6-L10 WeakPolarHBondContact O-CB 3.4Å; R6-L10 VanDerWaalsContact O-CG 3.26Å; R6-L10 WeakPolarHBondContact O-CG 3.38Å; R6-L10 PolarHBondContact O-N 3.32Å
7H81.3Confident73.8Confident132 Ų132127.6 Ų127.661%0.61161%0.608SS**Hα-helixtrans-64.9-43.3178.5-13778.2000111.9P3 W4 L5 V9 L10 Q11P3-H7 PolarHBondContact O-N 3.06Å; W4-H7 PolarHBondContact O-N 3.43Å; L5-H7 VanDerWaalsContact C-N 3.28Å; L5-H7 PolarHBondContact O-N 3.01Å; H7-V9 PolarHBondContact O-N 3.42Å; H7-L10 PolarHBondContact O-N 2.95Å; H7-Q11 VanDerWaalsContact O-CB 3.31Å; H7-Q11 WeakPolarHBondContact O-CB 3.3Å; H7-Q11 PolarHBondContact O-N 3.12Å
8L82.6Confident72.9Confident75 Ų75124.6 Ų124.639%0.39361%0.608SS.*Hα-helixtrans-62.1-43.2175.3-73.5170.6000112.7W4 L5 Q11 A12W4-L8 HydrophobicContact CD2-CD1 3.97Å; W4-L8 HydrophobicContact CD2-CG 4.48Å; W4-L8 HydrophobicContact CE3-CD1 3.59Å; W4-L8 HydrophobicContact CH2-CD1 3.56Å; W4-L8 HydrophobicContact CZ2-CD1 3.9Å; W4-L8 HydrophobicContact CZ2-CD2 4.5Å; W4-L8 HydrophobicContact CZ2-CG 4.45Å; W4-L8 HydrophobicContact CZ3-CD1 3.38Å; W4-L8 PolarHBondContact O-N 3.19Å; W4-L8 VanDerWaalsContact O-N 3.11Å; L5-L8 PolarHBondContact O-N 3.32Å; L8-Q11 PolarHBondContact O-N 2.86Å; L8-A12 WeakPolarHBondContact O-CB 3.47Å; L8-A12 PolarHBondContact O-N 3.17Å
9V80.9Confident71.9Confident94 Ų94127.6 Ų127.657%0.5762%0.618SS**Hα-helixtrans-63.9-44.3178.2171.20000111L5 R6 H7 Q11 A12 L13L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.12Å; R6-V9 PolarHBondContact O-N 3.39Å; H7-V9 PolarHBondContact O-N 3.42Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3Å; V9-A12 PolarHBondContact O-N 2.92Å; V9-L13 WeakPolarHBondContact O-CB 3.22Å; V9-L13 PolarHBondContact O-N 3.37Å
10L80.8Confident71.1Confident111 Ų111126 Ų12658%0.58162%0.619SS**Hα-helixtrans-65.3-37.8177.7-70.7170.6000112R6 H7 L13 R14R6-L10 WeakPolarHBondContact O-CB 3.4Å; R6-L10 VanDerWaalsContact O-CG 3.26Å; R6-L10 WeakPolarHBondContact O-CG 3.38Å; R6-L10 PolarHBondContact O-N 3.32Å; H7-L10 PolarHBondContact O-N 2.95Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-R14 WeakPolarHBondContact O-CB 3.23Å; L10-R14 PolarHBondContact O-N 2.99Å
11Q81.1Confident70.2Confident109 Ų109123 Ų12351%0.50962%0.621SS.*Hα-helixtrans-68.5-40.9177.2-166.1169.14.800111.8H7 L8 V9 R14 N15H7-Q11 VanDerWaalsContact O-CB 3.31Å; H7-Q11 WeakPolarHBondContact O-CB 3.3Å; H7-Q11 PolarHBondContact O-N 3.12Å; L8-Q11 PolarHBondContact O-N 2.86Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3Å; Q11-R14 PolarHBondContact O-N 3.07Å; Q11-N15 PolarHBondContact O-N 3.01Å; Q11-N15 PolarHBondContact O-ND2 3.33Å
12A75.5Confident70.1Confident60 Ų60117.3 Ų117.350%0.49660%0.602SS.*Hα-helixtrans-62.5-43.7172.700000112L8 V9 R14 N15 S16L8-A12 WeakPolarHBondContact O-CB 3.47Å; L8-A12 PolarHBondContact O-N 3.17Å; V9-A12 PolarHBondContact O-N 2.92Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 2.65Å; A12-N15 PolarHBondContact O-N 2.79Å; A12-S16 PolarHBondContact O-N 3.45Å
13L76.2Confident69.2Low102 Ų102117 Ų11753%0.53461%0.608SS.*Hα-helixtrans-64.9-34.9177.1-160.681.5000112.3V9 L10 S16 R17V9-L13 WeakPolarHBondContact O-CB 3.22Å; V9-L13 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.3Å; L13-S16 PolarHBondContact O-OG 3.22Å; L13-R17 WeakPolarHBondContact O-CB 3.39Å; L13-R17 PolarHBondContact O-N 3.31Å; L13-R17 VanDerWaalsContact O-N 3.07Å
14R73.9Confident68.3Low195 Ų195115.1 Ų115.174%0.73661%0.608SS**Hα-helixtrans-70.5-39.6176.2-160.9174.696.8167.87.1111.7L10 Q11 A12 R17 A18L10-R14 WeakPolarHBondContact O-CB 3.23Å; L10-R14 PolarHBondContact O-N 2.99Å; Q11-R14 PolarHBondContact O-N 3.07Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 2.65Å; R14-R17 PolarHBondContact O-N 3.15Å; R14-A18 PolarHBondContact O-N 3.17Å
15N67.3Low67.5Low101 Ų101116.3 Ų116.354%0.5462%0.618SS.*Hα-helixtrans-68.8-36.5175.9-74.9-22000112.3Q11 A12 A18 F19Q11-N15 PolarHBondContact O-N 3.01Å; Q11-N15 PolarHBondContact O-ND2 3.33Å; A12-N15 PolarHBondContact O-N 2.79Å; N15-A18 PolarHBondContact O-N 3.06Å; N15-F19 PolarHBondContact O-N 3.06Å; N15-F19 VanDerWaalsContact O-N 3.14Å
16S60.5Low66.5Low65 Ų65118 Ų11846%0.45563%0.633SS.*Hα-helixtrans-68-36.2173.568.90000112.1A12 L13 A18 F19 C20A12-S16 PolarHBondContact O-N 3.45Å; L13-S16 PolarHBondContact O-OG 3.22Å; S16-A18 VanDerWaalsContact C-N 3.32Å; S16-A18 PolarHBondContact O-N 3.08Å; S16-F19 WeakPolarHBondContact O-CB 3.43Å; S16-F19 PolarHBondContact O-N 3.3Å; S16-F19 VanDerWaalsContact O-N 3.12Å; S16-C20 WeakPolarHBondContact O-CB 3.32Å; S16-C20 PolarHBondContact O-N 3.38Å
17R59.5Low65.7Low193 Ų193113.1 Ų113.173%0.72863%0.631SS**Hα-helixtrans-67.1-32.2174.3-162.2-178.9-81.4-149.3-3112.4L13 R14 F19 C20 G21L13-R17 WeakPolarHBondContact O-CB 3.39Å; L13-R17 PolarHBondContact O-N 3.31Å; L13-R17 VanDerWaalsContact O-N 3.07Å; R14-R17 PolarHBondContact O-N 3.15Å; R17-F19 VanDerWaalsContact C-N 3.3Å; R17-C20 PolarHBondContact O-N 2.84Å; R17-G21 PolarHBondContact O-N 3.27Å
18A58.1Low64.9Low73 Ų73113 Ų11360%0.60364%0.642SS**Hα-helixtrans-67.9-30.2170.900000112.5R14 N15 S16R14-A18 PolarHBondContact O-N 3.17Å; N15-A18 PolarHBondContact O-N 3.06Å; S16-A18 VanDerWaalsContact C-N 3.32Å; S16-A18 PolarHBondContact O-N 3.08Å
19F54Low63.8Low182 Ų182112.5 Ų112.580%0.79864%0.639SS**Hα-helixtrans-79.6-28.6174.9-163.2-100.6000113.1N15 S16 R17 G21N15-F19 PolarHBondContact O-N 3.06Å; N15-F19 VanDerWaalsContact O-N 3.14Å; S16-F19 WeakPolarHBondContact O-CB 3.43Å; S16-F19 PolarHBondContact O-N 3.3Å; S16-F19 VanDerWaalsContact O-N 3.12Å; R17-F19 VanDerWaalsContact C-N 3.3Å; F19-G21 VanDerWaalsContact C-N 3.34Å
20C55.9Low63.1Low94 Ų94110.5 Ų110.564%0.63563%0.628SS**THydrogen-bonded Turntrans-86.2-2.2-180-139.90000113.6S16 R17S16-C20 WeakPolarHBondContact O-CB 3.32Å; S16-C20 PolarHBondContact O-N 3.38Å; R17-C20 PolarHBondContact O-N 2.84Å
21G53.2Low62.6Low65 Ų65109.5 Ų109.567%0.6763%0.627SS**THydrogen-bonded Turntrans-98.23.3-171.200000116.1R17 F19R17-G21 PolarHBondContact O-N 3.27Å; F19-G21 VanDerWaalsContact C-N 3.34Å
22S53.2Low62.3Low96 Ų96106.5 Ų106.567%0.67162%0.617SS**  trans-125.450.2-177.560.30000111.9G24S22-G24 PolarHBondContact O-N 2.98Å
23H55.9Low62.3Low171 Ų171111.3 Ų111.379%0.79263%0.629SS**  trans-76.3106151.8-74.2-75.9000106
24G54.6Low62.3Low66 Ų66113 Ų11368%0.6863%0.632SS**  trans-49.7153.5179.500000111.4S22S22-G24 PolarHBondContact O-N 2.98Å
25K58.1Low62.4Low199 Ų199106.2 Ų106.287%0.86561%0.609SS**SBendtrans3.4110.9169-112.9175.3175.2176.70113.3A27K25-A27 PolarHBondContact O-N 3.48Å
26P56.5Low62.9Low118 Ų118105.4 Ų105.477%0.76661%0.608SS**PPolyproline II helixtrans-52.3118.8176.420.5-30.5000108
27A60.7Low63.9Low75 Ų75104.9 Ų104.962%0.6261%0.608SS**PPolyproline II helixtrans-55.1144.4173.200000107.6K25 L29K25-A27 PolarHBondContact O-N 3.48Å; A27-L29 PolarHBondContact O-N 3.4Å
28P64.5Low65Low128 Ų12897.5 Ų97.583%0.83158%0.584SS**PPolyproline II helixtrans-50117.4175.3-24.232.4000108.9
29L60.1Low66Low66 Ų66102.2 Ų102.235%0.34659%0.586SS.*PPolyproline II helixtrans-58.3129.7-175.3-72.9167.1000108.6A27 V31 R65A27-L29 PolarHBondContact O-N 3.4Å; L29-V31 PolarHBondContact O-N 3.4Å; L29-R65 VanDerWaalsContact CD1-NE 3.35Å
30P65.1Low67.4Low52 Ų5298.8 Ų98.834%0.33857%0.573SS.*PPolyproline II helixtrans-63.3129.9178.923.3-29.3000109.2K34 I35P30-K34 HydrophobicContact CB-CD 4.32Å; P30-I35 HydrophobicContact CB-CG1 4.14Å; P30-I35 HydrophobicContact CG-CD1 4.24Å; P30-I35 HydrophobicContact CG-CG1 4.11Å
31V70.7Confident68.7Low90 Ų9095.3 Ų95.355%0.54555%0.551SS.*PPolyproline II helixtrans-56.5138.7172.3179.40000108.2L29 Q33 K34 I35L29-V31 PolarHBondContact O-N 3.4Å; V31-Q33 HydrophobicContact CG1-CB 4.4Å; V31-Q33 HydrophobicContact CG1-CG 4.48Å; V31-Q33 PolarHBondContact O-N 2.81Å; V31-K34 WeakPolarHBondContact O-CA 3.26Å; V31-K34 VanDerWaalsContact O-CB 3.23Å; V31-K34 WeakPolarHBondContact O-CB 3.42Å; V31-K34 PolarHBondContact O-N 3.28Å; V31-I35 PolarHBondContact O-N 2.94Å
32P73.9Confident70.1Confident46 Ų4694.4 Ų94.430%0.29953%0.53SS..Hα-helixtrans-49.9-35.5-176.2-28.732.4000114.4K34 I35 V36 V62 L66P32-K34 VanDerWaalsContact C-N 3.27Å; P32-K34 PolarHBondContact O-N 3.12Å; P32-I35 WeakPolarHBondContact O-CB 3.18Å; P32-I35 PolarHBondContact O-N 3.13Å; P32-I35 VanDerWaalsContact O-N 3.08Å; P32-V36 PolarHBondContact O-N 3.28Å; P32-V36 VanDerWaalsContact O-N 3.07Å; P32-V62 HydrophobicContact CG-CG1 3.93Å; P32-L66 HydrophobicContact CB-CD1 4.04Å; P32-L66 HydrophobicContact CG-CD1 3.5Å; P32-L66 VanDerWaalsContact CG-CD1 3.5Å; P32-L66 HydrophobicContact CG-CD2 4.18Å; P32-L66 HydrophobicContact CG-CG 3.97Å
33Q76.3Confident71.4Confident161 Ų16193.3 Ų93.375%0.75252%0.523SS*.Hα-helixtrans-59.9-36.2175.7-62.6179.117.400112.8V31 I35 A37V31-Q33 HydrophobicContact CG1-CB 4.4Å; V31-Q33 HydrophobicContact CG1-CG 4.48Å; V31-Q33 PolarHBondContact O-N 2.81Å; Q33-I35 VanDerWaalsContact C-N 3.33Å; Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 2.88Å
34K77.1Confident72.8Confident137 Ų13790.9 Ų90.960%0.59652%0.515SS*.Hα-helixtrans-69.3-33.2176.5-168.3176.3178.6-178.90111.4P30 V31 P32 T38P30-K34 HydrophobicContact CB-CD 4.32Å; V31-K34 WeakPolarHBondContact O-CA 3.26Å; V31-K34 VanDerWaalsContact O-CB 3.23Å; V31-K34 WeakPolarHBondContact O-CB 3.42Å; V31-K34 PolarHBondContact O-N 3.28Å; P32-K34 VanDerWaalsContact C-N 3.27Å; P32-K34 PolarHBondContact O-N 3.12Å; K34-T38 VanDerWaalsContact O-CB 3.3Å; K34-T38 WeakPolarHBondContact O-CB 3.43Å; K34-T38 PolarHBondContact O-N 3.24Å; K34-T38 PolarHBondContact O-OG1 3.05Å
35I76.1Confident74.1Confident52 Ų5291 Ų9127%0.26752%0.515SS..Hα-helixtrans-68-47.3176.6-56.5175000109.9P30 V31 P32 Q33 T38 W39 V62P30-I35 HydrophobicContact CB-CG1 4.14Å; P30-I35 HydrophobicContact CG-CD1 4.24Å; P30-I35 HydrophobicContact CG-CG1 4.11Å; V31-I35 PolarHBondContact O-N 2.94Å; P32-I35 WeakPolarHBondContact O-CB 3.18Å; P32-I35 PolarHBondContact O-N 3.13Å; P32-I35 VanDerWaalsContact O-N 3.08Å; Q33-I35 VanDerWaalsContact C-N 3.33Å; I35-T38 PolarHBondContact O-N 3.17Å; I35-W39 PolarHBondContact O-N 3.16Å; I35-V62 HydrophobicContact CD1-CB 4.17Å; I35-V62 HydrophobicContact CD1-CG1 3.81Å; I35-V62 HydrophobicContact CD1-CG2 3.88Å
36V77.6Confident75.3Confident84 Ų8491.5 Ų91.551%0.50951%0.512SS..Hα-helixtrans-61-47.8177.3177.20000111.1P32 T38 W39 E40P32-V36 PolarHBondContact O-N 3.28Å; P32-V36 VanDerWaalsContact O-N 3.07Å; V36-T38 VanDerWaalsContact C-N 3.31Å; V36-T38 PolarHBondContact O-N 2.69Å; V36-W39 PolarHBondContact O-N 2.95Å; V36-W39 VanDerWaalsContact O-N 3.17Å; V36-E40 PolarHBondContact O-N 3.32Å
37A80.7Confident76.4Confident54 Ų5490.1 Ų90.145%0.44650%0.495SS..Hα-helixtrans-62.3-37.8178.300000112.7Q33 A41Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 2.88Å; A37-A41 WeakPolarHBondContact O-CB 3.47Å; A37-A41 PolarHBondContact O-N 2.92Å
38T82.1Confident77.2Confident39 Ų3994 Ų9424%0.23951%0.505CS..Hα-helixtrans-65.8-42.6175.5-58.10000110.7K34 I35 V36 A41 I42K34-T38 VanDerWaalsContact O-CB 3.3Å; K34-T38 WeakPolarHBondContact O-CB 3.43Å; K34-T38 PolarHBondContact O-N 3.24Å; K34-T38 PolarHBondContact O-OG1 3.05Å; I35-T38 PolarHBondContact O-N 3.17Å; V36-T38 VanDerWaalsContact C-N 3.31Å; V36-T38 PolarHBondContact O-N 2.69Å; T38-A41 PolarHBondContact O-N 3.1Å; T38-I42 HydrophobicContact CG2-CD1 3.89Å; T38-I42 WeakPolarHBondContact O-CD1 3.36Å; T38-I42 VanDerWaalsContact O-CG1 3.22Å; T38-I42 WeakPolarHBondContact O-CG1 3.29Å; T38-I42 PolarHBondContact O-N 3.27Å
39W79.7Confident77.7Confident171 Ų17193 Ų9365%0.64850%0.496SS*.Hα-helixtrans-63.8-45.4177.6-175.585.4000112I35 V36 A41 I42 S43I35-W39 PolarHBondContact O-N 3.16Å; V36-W39 PolarHBondContact O-N 2.95Å; V36-W39 VanDerWaalsContact O-N 3.17Å; W39-A41 VanDerWaalsContact C-N 3.34Å; W39-A41 PolarHBondContact O-N 3.48Å; W39-I42 PolarHBondContact O-N 3.33Å; W39-S43 PolarHBondContact O-N 2.91Å; W39-S43 PolarHBondContact O-OG 3.14Å; W39-S43 VanDerWaalsContact O-OG 3.12Å
40E83.6Confident78.7Confident110 Ų11092.7 Ų92.751%0.51450%0.498SS..Hα-helixtrans-60-43.1175.5-76.2-177.2173.700112.3V36 I42 S43 L44V36-E40 PolarHBondContact O-N 3.32Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 3.44Å; E40-S43 PolarHBondContact O-N 2.91Å; E40-L44 WeakPolarHBondContact O-CB 3.31Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.44Å; E40-L44 PolarHBondContact O-N 3.33Å
41A82.5Confident79.6Confident21 Ų2198 Ų9817%0.17452%0.518CS..Hα-helixtrans-64.3-35.9177.700000112.2A37 T38 W39 G45 R46 Q47A37-A41 WeakPolarHBondContact O-CB 3.47Å; A37-A41 PolarHBondContact O-N 2.92Å; T38-A41 PolarHBondContact O-N 3.1Å; W39-A41 VanDerWaalsContact C-N 3.34Å; W39-A41 PolarHBondContact O-N 3.48Å; A41-G45 PolarHBondContact O-N 2.94Å; A41-R46 HydrophobicContact CB-CB 4.5Å; A41-R46 WeakPolarHBondContact O-CA 3.2Å; A41-R46 PolarHBondContact O-N 3.04Å; A41-Q47 HydrophobicContact CB-CB 3.8Å; A41-Q47 PolarHBondContact O-N 3.13Å; A41-Q47 VanDerWaalsContact O-N 3.12Å
42I82.9Confident80Confident46 Ų46102.4 Ų102.424%0.23653%0.526CS..Hα-helixtrans-68.1-47.1173.8-68.2165.1000110.5T38 W39 E40 L44 G45 Q47 V49T38-I42 HydrophobicContact CG2-CD1 3.89Å; T38-I42 WeakPolarHBondContact O-CD1 3.36Å; T38-I42 VanDerWaalsContact O-CG1 3.22Å; T38-I42 WeakPolarHBondContact O-CG1 3.29Å; T38-I42 PolarHBondContact O-N 3.27Å; W39-I42 PolarHBondContact O-N 3.33Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 3.44Å; I42-L44 PolarHBondContact O-N 3.12Å; I42-G45 PolarHBondContact O-N 2.94Å; I42-Q47 HydrophobicContact CG1-CB 4.11Å; I42-Q47 HydrophobicContact CG1-CG 4.3Å; I42-V49 HydrophobicContact CG2-CG2 3.95Å
43S80.3Confident80.5Confident73 Ų73106.3 Ų106.351%0.5154%0.539SS..Hα-helixtrans-61.2-31.9178.6-63.60000112.8W39 E40 G45W39-S43 PolarHBondContact O-N 2.91Å; W39-S43 PolarHBondContact O-OG 3.14Å; W39-S43 VanDerWaalsContact O-OG 3.12Å; E40-S43 PolarHBondContact O-N 2.91Å; S43-G45 VanDerWaalsContact C-N 3.29Å
44L86.3Confident80.9Confident121 Ų121102.7 Ų102.763%0.63453%0.525SS*.THydrogen-bonded Turntrans-840.8174.6-67.5171.4000113.7E40 I42 R46E40-L44 WeakPolarHBondContact O-CB 3.31Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.44Å; E40-L44 PolarHBondContact O-N 3.33Å; I42-L44 PolarHBondContact O-N 3.12Å; L44-R46 HydrophobicContact CB-CG 4.1Å; L44-R46 PolarHBondContact O-N 3.48Å
45G82.1Confident81.2Confident67 Ų67101.9 Ų101.969%0.69152%0.521SS*.THydrogen-bonded Turntrans67.713.3-177.700000114.5A41 I42 S43A41-G45 PolarHBondContact O-N 2.94Å; I42-G45 PolarHBondContact O-N 2.94Å; S43-G45 VanDerWaalsContact C-N 3.29Å
46R82.1Confident81.6Confident211 Ų211101.7 Ų101.780%0.79653%0.528SS*.SBendtrans-82.7-17.5178.9-63.5-174.8-179.9-156.10.7112.6A41 L44A41-R46 HydrophobicContact CB-CB 4.5Å; A41-R46 WeakPolarHBondContact O-CA 3.2Å; A41-R46 PolarHBondContact O-N 3.04Å; L44-R46 HydrophobicContact CB-CG 4.1Å; L44-R46 PolarHBondContact O-N 3.48Å
47Q79.2Confident81.8Confident88 Ų88102.1 Ų102.141%0.41152%0.524SS..SBendtrans-134.6138.4-180-172.6168-700110.5A41 I42A41-Q47 HydrophobicContact CB-CB 3.8Å; A41-Q47 PolarHBondContact O-N 3.13Å; A41-Q47 VanDerWaalsContact O-N 3.12Å; I42-Q47 HydrophobicContact CG1-CB 4.11Å; I42-Q47 HydrophobicContact CG1-CG 4.3Å
48L77.4Confident81.8Confident158 Ų158101.7 Ų101.783%0.82751%0.514SS*.PPolyproline II helixtrans-72.6146.5175.1-69.3166.1000110.3
49V76.7Confident81.8Confident106 Ų106101.2 Ų101.264%0.64251%0.511SS*.PPolyproline II helixtrans-60.8132.3173.2-177.70000108.4I42I42-V49 HydrophobicContact CG2-CG2 3.95Å
50P79.9Confident82Confident59 Ų5997.2 Ų97.238%0.38350%0.502SS..PPolyproline II helixtrans-55.8144.5176.7-24.733.5000111.7Y52P50-Y52 PolarHBondContact O-N 3.33Å
51E83.4Confident82Confident163 Ų16395.4 Ų95.476%0.76250%0.496SS*.SBendtrans-60.1-29.8176.5-167.4-176.2155.100112
52Y80.8Confident82.1Confident183 Ų18394.9 Ų94.972%0.71849%0.491SS*.  trans-127.8118.2176.6-55.8-80.1000109.4P50P50-Y52 PolarHBondContact O-N 3.33Å
53F83.3Confident82Confident128 Ų128101.3 Ų101.356%0.56151%0.512SS*.  trans-131125.3172.8175.3-102.4000108.4F55 D58 V59F53-F55 HydrophobicContact CE1-CB 4.38Å; F53-D58 HydrophobicContact CD2-CB 4.49Å; F53-D58 HydrophobicContact CE2-CB 4.26Å; F53-V59 HydrophobicContact CZ-CG2 4.18Å
54N84.4Confident82.1Confident86 Ų86100.7 Ų100.746%0.4651%0.507SS..  trans-126.6114.6175.9-174.4-68.8000109.8A56 H57 D58N54-A56 VanDerWaalsContact C-N 3.27Å; N54-A56 PolarHBondContact O-N 3.39Å; N54-A56 WeakPolarHBondContact OD1-CA 3.4Å; N54-A56 VanDerWaalsContact OD1-CB 3.31Å; N54-A56 WeakPolarHBondContact OD1-CB 3.5Å; N54-A56 PolarHBondContact OD1-N 3.07Å; N54-H57 HydrophobicContact CB-CB 4.25Å; N54-H57 PolarHBondContact O-N 2.92Å; N54-H57 PolarHBondContact OD1-N 3.32Å; N54-D58 PolarHBondContact N-OD2 3.44Å; N54-D58 VanDerWaalsContact O-CB 3.29Å; N54-D58 WeakPolarHBondContact O-CB 3.49Å; N54-D58 PolarHBondContact O-N 3.02Å
55F83.6Confident81.6Confident119 Ų119101.2 Ų101.252%0.52250%0.501SS..Hα-helixtrans-59.4-35.9-177.8-175.6-98.4000113.5F53 V59 L60F53-F55 HydrophobicContact CE1-CB 4.38Å; F55-V59 HydrophobicContact CD2-CB 3.92Å; F55-V59 HydrophobicContact CD2-CG1 4.4Å; F55-V59 HydrophobicContact CD2-CG2 3.72Å; F55-V59 HydrophobicContact CE2-CB 3.83Å; F55-V59 HydrophobicContact CE2-CG1 3.79Å; F55-V59 HydrophobicContact CE2-CG2 3.89Å; F55-V59 HydrophobicContact CG-CB 4.46Å; F55-V59 HydrophobicContact CZ-CB 4.29Å; F55-V59 HydrophobicContact CZ-CG1 4.06Å; F55-V59 VanDerWaalsContact O-CB 3.32Å; F55-V59 WeakPolarHBondContact O-CB 3.44Å; F55-V59 PolarHBondContact O-N 2.93Å; F55-V59 VanDerWaalsContact O-N 3.13Å; F55-L60 HydrophobicContact CD1-CD1 4.05Å; F55-L60 HydrophobicContact CD1-CG 4Å; F55-L60 HydrophobicContact CE1-CD1 3.91Å; F55-L60 HydrophobicContact CE1-CD2 3.74Å; F55-L60 HydrophobicContact CE1-CG 3.68Å; F55-L60 HydrophobicContact CZ-CD2 4.22Å; F55-L60 HydrophobicContact CZ-CG 4.47Å; F55-L60 PolarHBondContact O-N 3.35Å; F55-L60 VanDerWaalsContact O-N 3.12Å
56A85Confident81.3Confident49 Ų49102.4 Ų102.441%0.40549%0.491SS..Iπ-helixtrans-67.1-48.7179.500000111.2N54 L60 D61N54-A56 VanDerWaalsContact C-N 3.27Å; N54-A56 PolarHBondContact O-N 3.39Å; N54-A56 WeakPolarHBondContact OD1-CA 3.4Å; N54-A56 VanDerWaalsContact OD1-CB 3.31Å; N54-A56 WeakPolarHBondContact OD1-CB 3.5Å; N54-A56 PolarHBondContact OD1-N 3.07Å; A56-L60 WeakPolarHBondContact O-CB 3.47Å; A56-L60 PolarHBondContact O-N 3.44Å; A56-D61 PolarHBondContact O-N 2.91Å
57H81.4Confident80.8Confident92 Ų9299.8 Ų99.843%0.42649%0.488SS..Iπ-helixtrans-75.1-42.7-178.3-176.9-91.4000113N54 D61N54-H57 HydrophobicContact CB-CB 4.25Å; N54-H57 PolarHBondContact O-N 2.92Å; N54-H57 PolarHBondContact OD1-N 3.32Å; H57-D61 IonicContact CD2-OD2 3.69Å; H57-D61 WeakPolarHBondContact O-CB 3.25Å
58D80.8Confident80.4Confident45 Ų45102.7 Ų102.724%0.24150%0.502CS..Iπ-helixtrans-90.3-18.7-168.6-57-38000113.1F53 N54F53-D58 HydrophobicContact CD2-CB 4.49Å; F53-D58 HydrophobicContact CE2-CB 4.26Å; N54-D58 PolarHBondContact N-OD2 3.44Å; N54-D58 VanDerWaalsContact O-CB 3.29Å; N54-D58 WeakPolarHBondContact O-CB 3.49Å; N54-D58 PolarHBondContact O-N 3.02Å
59V82.5Confident79.7Confident29 Ų29100.7 Ų100.718%0.17650%0.496CS..Iπ-helixtrans-116.6-59.1178.2-174.40000110.9F53 F55 V62 W63F53-V59 HydrophobicContact CZ-CG2 4.18Å; F55-V59 HydrophobicContact CD2-CB 3.92Å; F55-V59 HydrophobicContact CD2-CG1 4.4Å; F55-V59 HydrophobicContact CD2-CG2 3.72Å; F55-V59 HydrophobicContact CE2-CB 3.83Å; F55-V59 HydrophobicContact CE2-CG1 3.79Å; F55-V59 HydrophobicContact CE2-CG2 3.89Å; F55-V59 HydrophobicContact CG-CB 4.46Å; F55-V59 HydrophobicContact CZ-CB 4.29Å; F55-V59 HydrophobicContact CZ-CG1 4.06Å; F55-V59 VanDerWaalsContact O-CB 3.32Å; F55-V59 WeakPolarHBondContact O-CB 3.44Å; F55-V59 PolarHBondContact O-N 2.93Å; F55-V59 VanDerWaalsContact O-N 3.13Å; V59-V62 PolarHBondContact O-N 3.45Å; V59-W63 WeakPolarHBondContact O-CB 3.38Å; V59-W63 PolarHBondContact O-N 2.93Å
60L83.8Confident78.8Confident88 Ų88103.1 Ų103.146%0.46150%0.497SS..Iπ-helixtrans-67.7-44-171.8-61.1178.8000112.8F55 A56 V62 W63 S64F55-L60 HydrophobicContact CD1-CD1 4.05Å; F55-L60 HydrophobicContact CD1-CG 4Å; F55-L60 HydrophobicContact CE1-CD1 3.91Å; F55-L60 HydrophobicContact CE1-CD2 3.74Å; F55-L60 HydrophobicContact CE1-CG 3.68Å; F55-L60 HydrophobicContact CZ-CD2 4.22Å; F55-L60 HydrophobicContact CZ-CG 4.47Å; F55-L60 PolarHBondContact O-N 3.35Å; F55-L60 VanDerWaalsContact O-N 3.12Å; A56-L60 WeakPolarHBondContact O-CB 3.47Å; A56-L60 PolarHBondContact O-N 3.44Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 2.89Å; L60-W63 PolarHBondContact O-N 3.47Å; L60-S64 WeakPolarHBondContact O-CB 3.43Å; L60-S64 PolarHBondContact O-N 3.39Å
61D84Confident77.6Confident71 Ų71104.5 Ų104.538%0.3851%0.506SS..Hα-helixtrans-65-35.8178.9-73.1-9.4000112A56 H57 R65A56-D61 PolarHBondContact O-N 2.91Å; H57-D61 IonicContact CD2-OD2 3.69Å; H57-D61 WeakPolarHBondContact O-CB 3.25Å; D61-R65 WeakPolarHBondContact O-CD 3.32Å; D61-R65 VanDerWaalsContact O-CG 3.25Å; D61-R65 WeakPolarHBondContact O-CG 3.39Å; D61-R65 PolarHBondContact O-N 3Å; D61-R65 VanDerWaalsContact O-N 3.13Å
62V83.8Confident76.4Confident10 Ų10103 Ų1036%0.06151%0.508CS..Hα-helixtrans-68.9-41.1176.8178.90000110.7P32 I35 V59 L60 R65 L66P32-V62 HydrophobicContact CG-CG1 3.93Å; I35-V62 HydrophobicContact CD1-CB 4.17Å; I35-V62 HydrophobicContact CD1-CG1 3.81Å; I35-V62 HydrophobicContact CD1-CG2 3.88Å; V59-V62 PolarHBondContact O-N 3.45Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 2.89Å; V62-R65 PolarHBondContact O-N 3.39Å; V62-L66 PolarHBondContact O-N 3.42Å
63W81.9Confident75.3Confident182 Ų182102 Ų10269%0.68951%0.514SS*.Hα-helixtrans-66.5-43.8176.7-81.639.9000112.1V59 L60 R65 L66 E67V59-W63 WeakPolarHBondContact O-CB 3.38Å; V59-W63 PolarHBondContact O-N 2.93Å; L60-W63 PolarHBondContact O-N 3.47Å; W63-R65 VanDerWaalsContact C-N 3.3Å; W63-R65 PolarHBondContact O-N 3.35Å; W63-L66 WeakPolarHBondContact O-CB 3.42Å; W63-L66 PolarHBondContact O-N 3.02Å; W63-E67 PolarHBondContact O-N 3.11Å
64S81.8Confident73.8Confident59 Ų59104.2 Ų104.241%0.41355%0.546SS..Hα-helixtrans-58.5-42176.3176.30000111.6L60 E67 E68L60-S64 WeakPolarHBondContact O-CB 3.43Å; L60-S64 PolarHBondContact O-N 3.39Å; S64-E67 WeakPolarHBondContact O-CB 3.31Å; S64-E67 PolarHBondContact O-N 3.25Å; S64-E68 PolarHBondContact O-N 3.43Å; S64-E68 VanDerWaalsContact O-N 3.1Å
65R76Confident73.3Confident133 Ų133105.2 Ų105.250%0.50255%0.55SS.*Hα-helixtrans-69-35.4176.4-70.9170.7-174.9-87.71.8113.3L29 D61 V62 W63 E67 E68 V69L29-R65 VanDerWaalsContact CD1-NE 3.35Å; D61-R65 WeakPolarHBondContact O-CD 3.32Å; D61-R65 VanDerWaalsContact O-CG 3.25Å; D61-R65 WeakPolarHBondContact O-CG 3.39Å; D61-R65 PolarHBondContact O-N 3Å; D61-R65 VanDerWaalsContact O-N 3.13Å; V62-R65 PolarHBondContact O-N 3.39Å; W63-R65 VanDerWaalsContact C-N 3.3Å; W63-R65 PolarHBondContact O-N 3.35Å; R65-E67 VanDerWaalsContact C-N 3.27Å; R65-E67 PolarHBondContact O-N 3.5Å; R65-E68 PolarHBondContact O-N 3.23Å; R65-V69 WeakPolarHBondContact O-CB 3.26Å; R65-V69 WeakPolarHBondContact O-CG2 3.47Å; R65-V69 PolarHBondContact O-N 3.3Å
66L75.4Confident72.8Confident91 Ų91104.4 Ų104.448%0.47655%0.552SS.*Hα-helixtrans-62.7-37.1173.9-93164.3000111.8P32 V62 W63 K70P32-L66 HydrophobicContact CB-CD1 4.04Å; P32-L66 HydrophobicContact CG-CD1 3.5Å; P32-L66 VanDerWaalsContact CG-CD1 3.5Å; P32-L66 HydrophobicContact CG-CD2 4.18Å; P32-L66 HydrophobicContact CG-CG 3.97Å; V62-L66 PolarHBondContact O-N 3.42Å; W63-L66 WeakPolarHBondContact O-CB 3.42Å; W63-L66 PolarHBondContact O-N 3.02Å; L66-K70 PolarHBondContact O-N 3.34Å; L66-K70 VanDerWaalsContact O-N 3.15Å
67E72.5Confident72.1Confident156 Ų156107.5 Ų107.573%0.72956%0.56SS**Hα-helixtrans-66.9-42.2174.7-172.2167.9-154.100111.7W63 S64 R65 K70W63-E67 PolarHBondContact O-N 3.11Å; S64-E67 WeakPolarHBondContact O-CB 3.31Å; S64-E67 PolarHBondContact O-N 3.25Å; R65-E67 VanDerWaalsContact C-N 3.27Å; R65-E67 PolarHBondContact O-N 3.5Å; E67-K70 VanDerWaalsContact O-CB 3.26Å; E67-K70 WeakPolarHBondContact O-CB 3.49Å; E67-K70 PolarHBondContact O-N 3.45Å
68E71.1Confident71.5Confident150 Ų150108.4 Ų108.470%0.70157%0.568SS**Hα-helixtrans-66.3-35.8175.6-71.2-176.6165.700113.6S64 R65 K70S64-E68 PolarHBondContact O-N 3.43Å; S64-E68 VanDerWaalsContact O-N 3.1Å; R65-E68 PolarHBondContact O-N 3.23Å; E68-K70 VanDerWaalsContact C-N 3.27Å
69V62.7Low71Confident116 Ų116112.4 Ų112.470%0.70359%0.588SS**THydrogen-bonded Turntrans-82.8-6.3-179.9178.50000111.7R65 P71R65-V69 WeakPolarHBondContact O-CB 3.26Å; R65-V69 WeakPolarHBondContact O-CG2 3.47Å; R65-V69 PolarHBondContact O-N 3.3Å; V69-P71 WeakPolarHBondContact O-CD 3.23Å
70K57.5Low70.2Confident156 Ų156117.9 Ų117.968%0.67862%0.616SS**SBendtrans-58.4111172.2-169.7174-178.9175.10107.3L66 E67 E68 V72L66-K70 PolarHBondContact O-N 3.34Å; L66-K70 VanDerWaalsContact O-N 3.15Å; E67-K70 VanDerWaalsContact O-CB 3.26Å; E67-K70 WeakPolarHBondContact O-CB 3.49Å; E67-K70 PolarHBondContact O-N 3.45Å; E68-K70 VanDerWaalsContact C-N 3.27Å; K70-V72 PolarHBondContact O-N 3.48Å; K70-V72 VanDerWaalsContact O-N 3.16Å
71P54Low69.2Low88 Ų88120.1 Ų120.157%0.57163%0.627SS**  trans-60.8130.9179.325.9-30000106V69 L73V69-P71 WeakPolarHBondContact O-CD 3.23Å; P71-L73 HydrophobicContact CB-CG 4.34Å; P71-L73 HydrophobicContact CG-CD1 4.27Å; P71-L73 HydrophobicContact CG-CG 4.17Å; P71-L73 PolarHBondContact O-N 3.23Å
72V58.5Low68.1Low133 Ų133123.8 Ų123.881%0.80665%0.646SS**  trans-6081.6164.5-1790000106.1K70 S74K70-V72 PolarHBondContact O-N 3.48Å; K70-V72 VanDerWaalsContact O-N 3.16Å; V72-S74 PolarHBondContact O-N 3.22Å
73L58Low66.8Low161 Ų161133.3 Ų133.384%0.84370%0.695SS**  trans-82.874161.5-69.4172.5000105.2P71P71-L73 HydrophobicContact CB-CG 4.34Å; P71-L73 HydrophobicContact CG-CD1 4.27Å; P71-L73 HydrophobicContact CG-CG 4.17Å; P71-L73 PolarHBondContact O-N 3.23Å
74S52Low65.4Low175 Ų175128.9 Ų128.9100%1.22470%0.695SS**  trans-118.70157.6-94.60000107.8V72V72-S74 PolarHBondContact O-N 3.22Å

Retrieved 74 of 74 residues in 95 ms (Link to these results)