A0A096MEM2_POEFO Loading...

HIG1 hypoxia inducible domain family member 1A

AlphaFold DB (A0A3B3URX1), UniProt , Accession A0A096MEM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 93 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
1M47Very low50.8Low238 Ų238121.5 Ų121.5100%1.17264%0.639SS**  094.10-159.3158172.600106.3
2S46.3Very low51.4Low87 Ų87119.2 Ų119.261%0.60863%0.627SS**  trans-137.511.7-165.1-168.90000113.3
3S49.8Very low51.6Low94 Ų94118.5 Ų118.566%0.65762%0.621SS**THydrogen-bonded Turntrans-96.4-8.9-161.3-46.80000115.6
4Y54Low52.2Low218 Ų218122.9 Ų122.986%0.85563%0.625SS**THydrogen-bonded Turntrans-89.9-17.8178.5-74.6-80.6000114
5E49.6Very low52.5Low139 Ų139123.6 Ų123.665%0.6562%0.622SS**Hα-helixtrans-71.5-39.1169.5-73.4-99.290.900109.2G7 N8 D9E5-G7 VanDerWaalsContact C-N 3.3Å; E5-G7 PolarHBondContact O-N 2.8Å; E5-N8 PolarHBondContact O-N 2.65Å; E5-D9 WeakPolarHBondContact CA-OD2 3.21Å; E5-D9 VanDerWaalsContact CB-OD2 3.22Å; E5-D9 WeakPolarHBondContact CB-OD2 3.22Å; E5-D9 WeakPolarHBondContact O-CB 3.48Å; E5-D9 VanDerWaalsContact O-CG 3.25Å; E5-D9 PolarHBondContact O-N 3.22Å
6E48.6Very low52.9Low113 Ų113119.4 Ų119.453%0.52860%0.604SS.*Hα-helixtrans-56.1-30.3-172.6-149.9105.658.400116S10E6-S10 WeakPolarHBondContact O-CA 3.38Å; E6-S10 WeakPolarHBondContact O-CB 3.05Å; E6-S10 PolarHBondContact O-N 3.01Å; E6-S10 PolarHBondContact O-OG 2.54Å
7G52.6Low53Low46 Ų46123.6 Ų123.647%0.47462%0.618SS.*Hα-helixtrans-81.3-38.1-177.400000113.9E5E5-G7 VanDerWaalsContact C-N 3.3Å; E5-G7 PolarHBondContact O-N 2.8Å
8N53Low53.2Low119 Ų119123.1 Ų123.164%0.63661%0.613SS**Hα-helixtrans-79.7-38172.2-84.92.9000110.2E5 S10 K11 L12E5-N8 PolarHBondContact O-N 2.65Å; N8-S10 VanDerWaalsContact C-N 3.28Å; N8-S10 PolarHBondContact O-N 3.09Å; N8-K11 PolarHBondContact O-N 3.26Å; N8-L12 WeakPolarHBondContact O-CB 3.15Å; N8-L12 VanDerWaalsContact O-CG 3.24Å; N8-L12 WeakPolarHBondContact O-CG 3.48Å; N8-L12 PolarHBondContact O-N 2.77Å
9D52.1Low53.4Low55 Ų55121.9 Ų121.929%0.29461%0.609SS.*Hα-helixtrans-58.4-38.2165.9-73.1-48.3000111E5 K11 L12 M13E5-D9 WeakPolarHBondContact CA-OD2 3.21Å; E5-D9 VanDerWaalsContact CB-OD2 3.22Å; E5-D9 WeakPolarHBondContact CB-OD2 3.22Å; E5-D9 WeakPolarHBondContact O-CB 3.48Å; E5-D9 VanDerWaalsContact O-CG 3.25Å; E5-D9 PolarHBondContact O-N 3.22Å; D9-K11 VanDerWaalsContact C-N 3.29Å; D9-K11 PolarHBondContact O-N 2.76Å; D9-L12 CarbonylContact O-C 3.49Å; D9-L12 PolarHBondContact O-N 3.24Å; D9-M13 HydrophobicContact CB-CG 4.22Å; D9-M13 HydrophobicContact CB-SD 4Å; D9-M13 WeakPolarHBondContact O-CA 3.32Å; D9-M13 WeakPolarHBondContact O-CB 2.88Å; D9-M13 WeakPolarHBondContact O-CG 3.18Å; D9-M13 PolarHBondContact O-N 3.27Å
10S51.3Low53.6Low65 Ų65119 Ų11946%0.45560%0.599SS.*Hα-helixtrans-65.9-32179.6-73.40000113.2E6 N8 R14E6-S10 WeakPolarHBondContact O-CA 3.38Å; E6-S10 WeakPolarHBondContact O-CB 3.05Å; E6-S10 PolarHBondContact O-N 3.01Å; E6-S10 PolarHBondContact O-OG 2.54Å; N8-S10 VanDerWaalsContact C-N 3.28Å; N8-S10 PolarHBondContact O-N 3.09Å; S10-R14 WeakPolarHBondContact O-CB 3.24Å; S10-R14 PolarHBondContact O-N 3.43Å; S10-R14 VanDerWaalsContact O-N 3.09Å
11K54.9Low53.8Low162 Ų162120.9 Ų120.970%0.70460%0.604SS**Hα-helixtrans-82.5-36.4173.6-74.2-178.6-179.2172.50112.1N8 D9 R14 K15N8-K11 PolarHBondContact O-N 3.26Å; D9-K11 VanDerWaalsContact C-N 3.29Å; D9-K11 PolarHBondContact O-N 2.76Å; K11-R14 WeakPolarHBondContact O-CB 3.32Å; K11-R14 PolarHBondContact O-N 3.48Å; K11-K15 PolarHBondContact O-N 2.92Å
12L57.8Low54.2Low94 Ų94114.6 Ų114.649%0.49258%0.578SS.*Hα-helixtrans-71.7-51.5174.8-70.2179.4000110.5N8 D9 R14 K15 V16N8-L12 WeakPolarHBondContact O-CB 3.15Å; N8-L12 VanDerWaalsContact O-CG 3.24Å; N8-L12 WeakPolarHBondContact O-CG 3.48Å; N8-L12 PolarHBondContact O-N 2.77Å; D9-L12 CarbonylContact O-C 3.49Å; D9-L12 PolarHBondContact O-N 3.24Å; L12-R14 CarbonylContact O-C 3.23Å; L12-R14 PolarHBondContact O-N 3.4Å; L12-K15 CarbonylContact O-C 3.23Å; L12-K15 VanDerWaalsContact O-C 3.23Å; L12-K15 WeakPolarHBondContact O-CA 3.44Å; L12-K15 VanDerWaalsContact O-CB 3.31Å; L12-K15 WeakPolarHBondContact O-CB 3.47Å; L12-K15 PolarHBondContact O-N 3.27Å; L12-V16 VanDerWaalsContact C-CG2 3.46Å; L12-V16 WeakPolarHBondContact O-CB 3.19Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 2.92Å
13M53.9Low55Low110 Ų110112.4 Ų112.454%0.54256%0.562SS.*Hα-helixtrans-48.8-36.5163.6-69.8170.179.200112.8D9 K17D9-M13 HydrophobicContact CB-CG 4.22Å; D9-M13 HydrophobicContact CB-SD 4Å; D9-M13 WeakPolarHBondContact O-CA 3.32Å; D9-M13 WeakPolarHBondContact O-CB 2.88Å; D9-M13 WeakPolarHBondContact O-CG 3.18Å; D9-M13 PolarHBondContact O-N 3.27Å; M13-K17 WeakPolarHBondContact O-CB 3.22Å; M13-K17 PolarHBondContact O-N 2.93Å
14R60.2Low55.9Low180 Ų180114.6 Ų114.668%0.67957%0.566SS**Hα-helixtrans-63-58.6167.8-131.4164.5165.3171.6-7.5108.8S10 K11 L12 V16 K17 E18S10-R14 WeakPolarHBondContact O-CB 3.24Å; S10-R14 PolarHBondContact O-N 3.43Å; S10-R14 VanDerWaalsContact O-N 3.09Å; K11-R14 WeakPolarHBondContact O-CB 3.32Å; K11-R14 PolarHBondContact O-N 3.48Å; L12-R14 CarbonylContact O-C 3.23Å; L12-R14 PolarHBondContact O-N 3.4Å; R14-V16 PolarHBondContact O-N 3.09Å; R14-V16 VanDerWaalsContact O-N 3.12Å; R14-K17 CarbonylContact O-C 3.41Å; R14-K17 VanDerWaalsContact O-CA 3.28Å; R14-K17 WeakPolarHBondContact O-CA 3.29Å; R14-K17 VanDerWaalsContact O-CB 3.31Å; R14-K17 WeakPolarHBondContact O-CB 3.43Å; R14-K17 PolarHBondContact O-N 3.49Å; R14-E18 WeakPolarHBondContact CB-OE1 2.77Å; R14-E18 WeakPolarHBondContact O-CG 3.34Å; R14-E18 PolarHBondContact O-N 3.01Å
15K56.6Low56.6Low134 Ų134106.3 Ų106.358%0.58355%0.547SS*.Hα-helixtrans-52.9-28.7172.5-103.6177.9178.2-169.80116.1K11 L12 E18 N19K11-K15 PolarHBondContact O-N 2.92Å; L12-K15 CarbonylContact O-C 3.23Å; L12-K15 VanDerWaalsContact O-C 3.23Å; L12-K15 WeakPolarHBondContact O-CA 3.44Å; L12-K15 VanDerWaalsContact O-CB 3.31Å; L12-K15 WeakPolarHBondContact O-CB 3.47Å; L12-K15 PolarHBondContact O-N 3.27Å; K15-E18 PolarHBondContact N-OE1 3.22Å; K15-N19 CarbonylContact O-C 3.59Å; K15-N19 VanDerWaalsContact O-C 3.23Å; K15-N19 WeakPolarHBondContact O-CA 3.31Å; K15-N19 PolarHBondContact O-N 2.93Å; K15-N19 VanDerWaalsContact O-O 3.1Å
16V58.5Low57.5Low56 Ų56105.2 Ų105.234%0.33955%0.545SS..Hα-helixtrans-76.1-36174.6173.60000108.9L12 R14 P20 P23L12-V16 VanDerWaalsContact C-CG2 3.46Å; L12-V16 WeakPolarHBondContact O-CB 3.19Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 2.92Å; R14-V16 PolarHBondContact O-N 3.09Å; R14-V16 VanDerWaalsContact O-N 3.12Å; V16-P20 WeakPolarHBondContact O-CA 3.31Å; V16-P20 WeakPolarHBondContact O-CB 3.28Å; V16-P20 VanDerWaalsContact O-CD 3.3Å; V16-P20 WeakPolarHBondContact O-CD 3.47Å; V16-P20 VanDerWaalsContact O-N 3.16Å; V16-P23 HydrophobicContact CB-CG 4.13Å; V16-P23 HydrophobicContact CG1-CG 4.38Å; V16-P23 HydrophobicContact CG2-CB 4.03Å; V16-P23 HydrophobicContact CG2-CG 3.38Å
17K55.7Low58.7Low191 Ų191103.3 Ų103.383%0.8355%0.549SS*.Hα-helixtrans-82.2-23.6177.8-170.5170.6177.9179.40112.7M13 R14M13-K17 WeakPolarHBondContact O-CB 3.22Å; M13-K17 PolarHBondContact O-N 2.93Å; R14-K17 CarbonylContact O-C 3.41Å; R14-K17 VanDerWaalsContact O-CA 3.28Å; R14-K17 WeakPolarHBondContact O-CA 3.29Å; R14-K17 VanDerWaalsContact O-CB 3.31Å; R14-K17 WeakPolarHBondContact O-CB 3.43Å; R14-K17 PolarHBondContact O-N 3.49Å
18E56.1Low59.7Low115 Ų115102.9 Ų102.954%0.53754%0.544SS..Hα-helixtrans-93.9-31.7172.89.3168.9159.100112.3R14 K15R14-E18 WeakPolarHBondContact CB-OE1 2.77Å; R14-E18 WeakPolarHBondContact O-CG 3.34Å; R14-E18 PolarHBondContact O-N 3.01Å; K15-E18 PolarHBondContact N-OE1 3.22Å
19N56.4Low60.5Low101 Ų101103.7 Ų103.754%0.5454%0.543SS..  trans-151.280.3177.1-81.1-51.6000112.3K15 F21K15-N19 CarbonylContact O-C 3.59Å; K15-N19 VanDerWaalsContact O-C 3.23Å; K15-N19 WeakPolarHBondContact O-CA 3.31Å; K15-N19 PolarHBondContact O-N 2.93Å; K15-N19 VanDerWaalsContact O-O 3.1Å; N19-F21 PolarHBondContact O-N 3.47Å
20P57.2Low61.8Low62 Ų62105.6 Ų105.640%0.40356%0.556SS.*THydrogen-bonded Turntrans-63.8-10.8-17321.8-31.9000116V16V16-P20 WeakPolarHBondContact O-CA 3.31Å; V16-P20 WeakPolarHBondContact O-CB 3.28Å; V16-P20 VanDerWaalsContact O-CD 3.3Å; V16-P20 WeakPolarHBondContact O-CD 3.47Å; V16-P20 VanDerWaalsContact O-N 3.16Å
21F58.5Low63.1Low159 Ų159104.7 Ų104.770%0.69756%0.557SS**Hα-helixtrans-75.7-27.6-176.6-66.9-81.1000114.3N19 G25N19-F21 PolarHBondContact O-N 3.47Å; F21-G25 PolarHBondContact O-N 3.04Å
22V54.4Low63.9Low106 Ų106101.9 Ų101.964%0.64255%0.548SS*.Hα-helixtrans-75.6-48.7-172.9178.10000114G25 L26V22-G25 PolarHBondContact O-N 3.41Å; V22-L26 WeakPolarHBondContact O-CB 3.03Å; V22-L26 PolarHBondContact O-N 3.21Å
23P64.6Low64.3Low42 Ų42100.2 Ų100.227%0.27354%0.542SS..Hα-helixtrans-73.1-32.6-179.123.2-27.9000112.6V16 L26 A27V16-P23 HydrophobicContact CB-CG 4.13Å; V16-P23 HydrophobicContact CG1-CG 4.38Å; V16-P23 HydrophobicContact CG2-CB 4.03Å; V16-P23 HydrophobicContact CG2-CG 3.38Å; P23-L26 PolarHBondContact O-N 2.97Å; P23-A27 WeakPolarHBondContact O-CB 3.33Å; P23-A27 PolarHBondContact O-N 3.31Å
24L67.7Low65.4Low139 Ų13997 Ų9773%0.72854%0.537SS*.Hα-helixtrans-64.4-43.2173.5-120.4104.3000111.7G28L24-G28 PolarHBondContact O-N 2.79Å; L24-G28 VanDerWaalsContact O-N 3.09Å
25G69.2Low65.5Low45 Ų4595 Ų9546%0.46454%0.535SS..Hα-helixtrans-64.2-39.4175.400000112.6F21 V22 G28 F29F21-G25 PolarHBondContact O-N 3.04Å; V22-G25 PolarHBondContact O-N 3.41Å; G25-G28 PolarHBondContact O-N 3.45Å; G25-F29 VanDerWaalsContact O-CB 3.29Å; G25-F29 WeakPolarHBondContact O-CB 3.31Å; G25-F29 PolarHBondContact O-N 3.37Å
26L67.8Low66.1Low115 Ų11593.1 Ų93.160%0.60253%0.528SS*.Hα-helixtrans-68.3-42.3178.9-166.966.9000112.2V22 P23 F29 V30V22-L26 WeakPolarHBondContact O-CB 3.03Å; V22-L26 PolarHBondContact O-N 3.21Å; P23-L26 PolarHBondContact O-N 2.97Å; L26-F29 PolarHBondContact O-N 3.36Å; L26-V30 WeakPolarHBondContact O-CG2 2.97Å; L26-V30 PolarHBondContact O-N 2.83Å
27A74.7Confident66.3Low74 Ų7495.6 Ų95.661%0.61254%0.539SS*.Hα-helixtrans-62.3-43.2174.700000112P23 G31P23-A27 WeakPolarHBondContact O-CB 3.33Å; P23-A27 PolarHBondContact O-N 3.31Å; A27-G31 PolarHBondContact O-N 2.86Å
28G72.9Confident66.8Low37 Ų3794.2 Ų94.238%0.38153%0.53SS..Hα-helixtrans-64.4-39.9175.200000113.2L24 G25 G31 I32L24-G28 PolarHBondContact O-N 2.79Å; L24-G28 VanDerWaalsContact O-N 3.09Å; G25-G28 PolarHBondContact O-N 3.45Å; G28-G31 PolarHBondContact O-N 2.78Å; G28-I32 WeakPolarHBondContact O-CG1 3.2Å; G28-I32 PolarHBondContact O-N 3.12Å; G28-I32 VanDerWaalsContact O-N 3.1Å
29F70.3Confident67.1Low136 Ų13691.9 Ų91.960%0.59652%0.518SS*.Hα-helixtrans-70.2-42.2-178-165.1-104.5000112.5G25 L26 G31 I32 V33G25-F29 VanDerWaalsContact O-CB 3.29Å; G25-F29 WeakPolarHBondContact O-CB 3.31Å; G25-F29 PolarHBondContact O-N 3.37Å; L26-F29 PolarHBondContact O-N 3.36Å; F29-G31 VanDerWaalsContact C-N 3.33Å; F29-G31 PolarHBondContact O-N 2.9Å; F29-I32 PolarHBondContact O-N 3.27Å; F29-V33 HydrophobicContact CD1-CG2 4.07Å; F29-V33 HydrophobicContact CE1-CG2 3.82Å; F29-V33 HydrophobicContact CE2-CG2 4.48Å; F29-V33 HydrophobicContact CZ-CG2 4.04Å; F29-V33 WeakPolarHBondContact O-CB 3.45Å; F29-V33 VanDerWaalsContact O-CG2 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.29Å; F29-V33 PolarHBondContact O-N 3.47Å
30V79Confident67.1Low95 Ų9593.2 Ų93.258%0.57652%0.522SS*.Hα-helixtrans-64.8-38.8177.3173.80000111.1L26 G34L26-V30 WeakPolarHBondContact O-CG2 2.97Å; L26-V30 PolarHBondContact O-N 2.83Å; V30-G34 PolarHBondContact O-N 3.44Å
31G78.3Confident67Low46 Ų4699 Ų9947%0.47454%0.541SS..Hα-helixtrans-63-44.1174.300000113.4A27 G28 F29 H35A27-G31 PolarHBondContact O-N 2.86Å; G28-G31 PolarHBondContact O-N 2.78Å; F29-G31 VanDerWaalsContact C-N 3.33Å; F29-G31 PolarHBondContact O-N 2.9Å; G31-H35 WeakPolarHBondContact O-CB 3.33Å; G31-H35 PolarHBondContact O-N 3.34Å; G31-H35 VanDerWaalsContact O-N 3.09Å
32I71.3Confident66.8Low102 Ų10297.1 Ų97.152%0.52354%0.538SS..Hα-helixtrans-67.2-44178.9-68.7175.2000111.1G28 F29 H35 Q36G28-I32 WeakPolarHBondContact O-CG1 3.2Å; G28-I32 PolarHBondContact O-N 3.12Å; G28-I32 VanDerWaalsContact O-N 3.1Å; F29-I32 PolarHBondContact O-N 3.27Å; I32-H35 PolarHBondContact O-N 2.93Å; I32-Q36 WeakPolarHBondContact O-CB 3.39Å; I32-Q36 PolarHBondContact O-N 2.58Å
33V66.9Low66.7Low59 Ų5997.3 Ų97.336%0.35853%0.527SS..Hα-helixtrans-68.5-41.1-179.1171.80000111.4F29 H35 Q36 L37F29-V33 HydrophobicContact CD1-CG2 4.07Å; F29-V33 HydrophobicContact CE1-CG2 3.82Å; F29-V33 HydrophobicContact CE2-CG2 4.48Å; F29-V33 HydrophobicContact CZ-CG2 4.04Å; F29-V33 WeakPolarHBondContact O-CB 3.45Å; F29-V33 VanDerWaalsContact O-CG2 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.29Å; F29-V33 PolarHBondContact O-N 3.47Å; V33-H35 VanDerWaalsContact C-N 3.35Å; V33-H35 PolarHBondContact O-N 3.46Å; V33-Q36 PolarHBondContact O-N 3.06Å; V33-L37 HydrophobicContact CG1-CD1 3.87Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 PolarHBondContact O-N 2.97Å
34G77.5Confident66Low42 Ų4298.3 Ų98.343%0.43355%0.545SS..Hα-helixtrans-60.3-44.2174.100000112.1V30 Q36 Y38V30-G34 PolarHBondContact O-N 3.44Å; G34-Q36 PolarHBondContact O-N 3.39Å; G34-Y38 WeakPolarHBondContact O-CB 3.34Å; G34-Y38 PolarHBondContact O-N 3.03Å
35H62.8Low65.4Low138 Ų13899.1 Ų99.164%0.63955%0.551SS**Hα-helixtrans-68.3-33.6177.6-169.5-93.5000112.7G31 I32 V33 K39G31-H35 WeakPolarHBondContact O-CB 3.33Å; G31-H35 PolarHBondContact O-N 3.34Å; G31-H35 VanDerWaalsContact O-N 3.09Å; I32-H35 PolarHBondContact O-N 2.93Å; V33-H35 VanDerWaalsContact C-N 3.35Å; V33-H35 PolarHBondContact O-N 3.46Å; H35-K39 VanDerWaalsContact O-CB 3.31Å; H35-K39 WeakPolarHBondContact O-CB 3.31Å; H35-K39 PolarHBondContact O-N 2.93Å
36Q67.7Low64.6Low95 Ų95100.4 Ų100.444%0.44455%0.549SS..Hα-helixtrans-71.6-45.1177.4-145.7-78.9103.500111.6I32 V33 G34 Y38 K39 M40I32-Q36 WeakPolarHBondContact O-CB 3.39Å; I32-Q36 PolarHBondContact O-N 2.58Å; V33-Q36 PolarHBondContact O-N 3.06Å; G34-Q36 PolarHBondContact O-N 3.39Å; Q36-Y38 VanDerWaalsContact C-N 3.34Å; Q36-Y38 PolarHBondContact O-N 3.5Å; Q36-K39 PolarHBondContact O-N 3.24Å; Q36-M40 WeakPolarHBondContact O-CB 3.39Å; Q36-M40 PolarHBondContact O-N 3.46Å
37L63.6Low63.6Low108 Ų108104.8 Ų104.857%0.56556%0.564SS**Hα-helixtrans-62.3-40.6174.9-98.4146.7000112.1V33 M40 K41V33-L37 HydrophobicContact CG1-CD1 3.87Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 PolarHBondContact O-N 2.97Å; L37-M40 PolarHBondContact O-N 3.1Å; L37-K41 WeakPolarHBondContact O-CB 3.11Å; L37-K41 PolarHBondContact O-N 3.09Å
38Y65.1Low62.2Low162 Ų162109.8 Ų109.864%0.63558%0.576SS**Hα-helixtrans-63.3-42.8174.7-165.5-101.6000111.6G34 Q36 M40 N42G34-Y38 WeakPolarHBondContact O-CB 3.34Å; G34-Y38 PolarHBondContact O-N 3.03Å; Q36-Y38 VanDerWaalsContact C-N 3.34Å; Q36-Y38 PolarHBondContact O-N 3.5Å; Y38-M40 VanDerWaalsContact C-N 3.32Å; Y38-M40 PolarHBondContact O-N 2.96Å; Y38-N42 PolarHBondContact O-N 3.33Å
39K62.6Low61Low67 Ų67109.4 Ų109.429%0.29157%0.568SS.*Hα-helixtrans-67.4-28.4176.8-163.2178.998.1-1770113.3H35 Q36 R43H35-K39 VanDerWaalsContact O-CB 3.31Å; H35-K39 WeakPolarHBondContact O-CB 3.31Å; H35-K39 PolarHBondContact O-N 2.93Å; Q36-K39 PolarHBondContact O-N 3.24Å; K39-R43 VanDerWaalsContact O-CD 3.31Å; K39-R43 WeakPolarHBondContact O-CD 3.18Å; K39-R43 WeakPolarHBondContact O-CG 3.37Å
40M56Low60.1Low128 Ų128106.9 Ų106.963%0.63156%0.563SS**Hα-helixtrans-84.5-34.3-179.8-152173.186.900112Q36 L37 Y38 R43Q36-M40 WeakPolarHBondContact O-CB 3.39Å; Q36-M40 PolarHBondContact O-N 3.46Å; L37-M40 PolarHBondContact O-N 3.1Å; Y38-M40 VanDerWaalsContact C-N 3.32Å; Y38-M40 PolarHBondContact O-N 2.96Å; M40-R43 PolarHBondContact O-N 3.5Å
41K55.8Low58.6Low185 Ų185110.3 Ų110.380%0.80457%0.573SS**Hα-helixtrans-72.2-30.7176.8-167.4162.9179.1-172.50113.1L37L37-K41 WeakPolarHBondContact O-CB 3.11Å; L37-K41 PolarHBondContact O-N 3.09Å
42N55.5Low57.4Low118 Ų118114.8 Ų114.863%0.63159%0.585SS**THydrogen-bonded Turntrans-83.9-2.2175.7-92.143.2000114.9Y38 G44Y38-N42 PolarHBondContact O-N 3.33Å; N42-G44 PolarHBondContact O-N 3Å
43R50.5Low56.9Low110 Ų110112.3 Ų112.342%0.41557%0.572SS.*  trans-9752.7-178.1-81.9178.2-176.3-115.21.2112.9K39 M40K39-R43 VanDerWaalsContact O-CD 3.31Å; K39-R43 WeakPolarHBondContact O-CD 3.18Å; K39-R43 WeakPolarHBondContact O-CG 3.37Å; M40-R43 PolarHBondContact O-N 3.5Å
44G51.7Low56.3Low63 Ų63115.5 Ų115.565%0.64958%0.583SS**  trans-59.9134.8157.300000109.8N42N42-G44 PolarHBondContact O-N 3Å
45D55Low55.2Low157 Ų157120.5 Ų120.584%0.8460%0.597SS**SBendtrans67.768.2165.7-113.1-63.9000118.8
46T51.3Low54.9Low71 Ų71121.7 Ų121.744%0.43660%0.596SS.*  trans-145.460.5171-28.90000115.2M48 S49T46-M48 PolarHBondContact O-N 2.93Å; T46-S49 PolarHBondContact O-N 3.25Å
47K47.6Very low54.5Low207 Ų207120.1 Ų120.190%0.959%0.593SS**THydrogen-bonded Turntrans-57.6-4171.6-70176.9179.31710114.9
48M44.8Very low54.5Low179 Ų179117.6 Ų117.688%0.88259%0.588SS**THydrogen-bonded Turntrans-106.5-5172.5-159.6134.378.600115T46T46-M48 PolarHBondContact O-N 2.93Å
49S48.5Very low54.4Low29 Ų29112.3 Ų112.320%0.20358%0.577CS.*THydrogen-bonded Turntrans-95.8-11.6-173.2-168.40000114.2T46 H51 L52 I53T46-S49 PolarHBondContact O-N 3.25Å; S49-H51 VanDerWaalsContact C-N 3.29Å; S49-H51 PolarHBondContact O-N 3.03Å; S49-L52 PolarHBondContact O-N 2.69Å; S49-I53 WeakPolarHBondContact O-CB 3.28Å; S49-I53 WeakPolarHBondContact O-CD1 3.19Å; S49-I53 WeakPolarHBondContact O-CG1 3.47Å; S49-I53 PolarHBondContact O-N 2.76Å; S49-I53 WeakPolarHBondContact OG-CD1 3.15Å; S49-I53 VanDerWaalsContact OG-CG1 3.28Å; S49-I53 WeakPolarHBondContact OG-CG1 3.3Å
50V51.5Low54.5Low83 Ų83113.4 Ų113.450%0.50358%0.583SS.*Hα-helixtrans-62.6-33.5-176.9-173.90000112.6H54V50-H54 WeakPolarHBondContact CG1-ND1 3.16Å; V50-H54 VanDerWaalsContact O-CB 3.26Å; V50-H54 WeakPolarHBondContact O-CB 3.35Å; V50-H54 PolarHBondContact O-N 3.38Å; V50-H54 PolarHBondContact O-ND1 2.81Å
51H47.3Very low55Low168 Ų168109.5 Ų109.578%0.77858%0.576SS**Hα-helixtrans-73.6-27.7-179.2-146111.5000112.9S49S49-H51 VanDerWaalsContact C-N 3.29Å; S49-H51 PolarHBondContact O-N 3.03Å
52L53.4Low56.1Low139 Ų139108.2 Ų108.273%0.72857%0.571SS**Hα-helixtrans-96-27175.5-66.3175.1000112.9S49 R56S49-L52 PolarHBondContact O-N 2.69Å; L52-R56 PolarHBondContact O-N 2.98Å
53I60.6Low56.3Low50 Ų50106.2 Ų106.226%0.25656%0.563SS.*Hα-helixtrans-71.5-41.5170.8-63.5160.6000110.2S49 M55 R56 V57S49-I53 WeakPolarHBondContact O-CB 3.28Å; S49-I53 WeakPolarHBondContact O-CD1 3.19Å; S49-I53 WeakPolarHBondContact O-CG1 3.47Å; S49-I53 PolarHBondContact O-N 2.76Å; S49-I53 WeakPolarHBondContact OG-CD1 3.15Å; S49-I53 VanDerWaalsContact OG-CG1 3.28Å; S49-I53 WeakPolarHBondContact OG-CG1 3.3Å; I53-M55 VanDerWaalsContact C-N 3.3Å; I53-M55 PolarHBondContact O-N 3.32Å; I53-R56 PolarHBondContact O-N 3.39Å; I53-R56 VanDerWaalsContact O-N 3.11Å; I53-V57 HydrophobicContact CG2-CB 4.11Å; I53-V57 HydrophobicContact CG2-CG2 3.78Å; I53-V57 VanDerWaalsContact O-CB 3.31Å; I53-V57 WeakPolarHBondContact O-CB 3.38Å; I53-V57 PolarHBondContact O-N 3.47Å
54H54.6Low57.1Low126 Ų126104.3 Ų104.358%0.58356%0.563SS**Hα-helixtrans-56.2-45.6-179-109.2103.4000111.3V50 R56 A58V50-H54 WeakPolarHBondContact CG1-ND1 3.16Å; V50-H54 VanDerWaalsContact O-CB 3.26Å; V50-H54 WeakPolarHBondContact O-CB 3.35Å; V50-H54 PolarHBondContact O-N 3.38Å; V50-H54 PolarHBondContact O-ND1 2.81Å; H54-R56 PolarHBondContact O-N 2.74Å; H54-A58 WeakPolarHBondContact O-CA 3.36Å; H54-A58 WeakPolarHBondContact O-CB 3.31Å; H54-A58 PolarHBondContact O-N 3.11Å
55M54.4Low58.2Low148 Ų148102.8 Ų102.873%0.72955%0.547SS*.Hα-helixtrans-63.5-42.2177.1-81.8-67.4-166.900112.7I53 A59I53-M55 VanDerWaalsContact C-N 3.3Å; I53-M55 PolarHBondContact O-N 3.32Å; M55-A59 WeakPolarHBondContact O-CB 2.9Å; M55-A59 PolarHBondContact O-N 3.45Å
56R55.1Low59.2Low163 Ų16397.8 Ų97.862%0.61553%0.528SS*.Hα-helixtrans-80.1-35.2-175.5-150.8-173.3-168.9-75.72.6113.6L52 I53 H54 Q60L52-R56 PolarHBondContact O-N 2.98Å; I53-R56 PolarHBondContact O-N 3.39Å; I53-R56 VanDerWaalsContact O-N 3.11Å; H54-R56 PolarHBondContact O-N 2.74Å; R56-Q60 WeakPolarHBondContact O-CB 3.41Å; R56-Q60 VanDerWaalsContact O-CG 3.23Å; R56-Q60 WeakPolarHBondContact O-CG 3.34Å; R56-Q60 PolarHBondContact O-N 3.22Å
57V60.7Low60.3Low62 Ų62100.8 Ų100.838%0.37654%0.539SS..Hα-helixtrans-76-36.2173.3149.60000110.8I53 Q60 G61I53-V57 HydrophobicContact CG2-CB 4.11Å; I53-V57 HydrophobicContact CG2-CG2 3.78Å; I53-V57 VanDerWaalsContact O-CB 3.31Å; I53-V57 WeakPolarHBondContact O-CB 3.38Å; I53-V57 PolarHBondContact O-N 3.47Å; V57-Q60 PolarHBondContact O-N 2.9Å; V57-G61 PolarHBondContact O-N 2.88Å
58A63Low61.5Low55 Ų5595 Ų9546%0.45552%0.521SS..Hα-helixtrans-64.2-44170.600000110.3H54 Q60 G61 F62H54-A58 WeakPolarHBondContact O-CA 3.36Å; H54-A58 WeakPolarHBondContact O-CB 3.31Å; H54-A58 PolarHBondContact O-N 3.11Å; A58-Q60 PolarHBondContact O-N 2.79Å; A58-G61 PolarHBondContact O-N 3.5Å; A58-F62 WeakPolarHBondContact O-CA 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.26Å; A58-F62 PolarHBondContact O-N 3.27Å
59A63.4Low63.1Low51 Ų5191 Ų9142%0.42151%0.507SS..Hα-helixtrans-62.4-42.9174.200000112.2M55 F62 V63M55-A59 WeakPolarHBondContact O-CB 2.9Å; M55-A59 PolarHBondContact O-N 3.45Å; A59-F62 PolarHBondContact O-N 2.91Å; A59-V63 VanDerWaalsContact O-CB 3.32Å; A59-V63 WeakPolarHBondContact O-CB 3.45Å; A59-V63 WeakPolarHBondContact O-CG2 3.49Å; A59-V63 PolarHBondContact O-N 3.43Å
60Q63.9Low64.1Low89 Ų8991.6 Ų91.642%0.41652%0.517SS..Hα-helixtrans-66-41.5176.6-77.4-179.6-31.400112.4R56 V57 A58 V64R56-Q60 WeakPolarHBondContact O-CB 3.41Å; R56-Q60 VanDerWaalsContact O-CG 3.23Å; R56-Q60 WeakPolarHBondContact O-CG 3.34Å; R56-Q60 PolarHBondContact O-N 3.22Å; V57-Q60 PolarHBondContact O-N 2.9Å; A58-Q60 PolarHBondContact O-N 2.79Å; Q60-V64 WeakPolarHBondContact O-CB 3.41Å; Q60-V64 WeakPolarHBondContact O-CG2 3.27Å; Q60-V64 PolarHBondContact O-N 3.27Å
61G67.5Low64.9Low47 Ų4791.8 Ų91.849%0.48552%0.518SS..Hα-helixtrans-70-34.8176.500000112.6V57 A58 G65V57-G61 PolarHBondContact O-N 2.88Å; A58-G61 PolarHBondContact O-N 3.5Å; G61-G65 WeakPolarHBondContact O-CA 3.32Å; G61-G65 PolarHBondContact O-N 2.87Å
62F77.2Confident66Low157 Ų15788.8 Ų88.869%0.68951%0.507SS*.Hα-helixtrans-71.1-41.6175.5-174.4-101.6000111.6A58 A59 G65 A66A58-F62 WeakPolarHBondContact O-CA 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.26Å; A58-F62 PolarHBondContact O-N 3.27Å; A59-F62 PolarHBondContact O-N 2.91Å; F62-G65 PolarHBondContact O-N 2.79Å; F62-A66 WeakPolarHBondContact O-CB 3.41Å; F62-A66 PolarHBondContact O-N 3.35Å
63V61Low66.6Low77 Ų7790.1 Ų90.147%0.46750%0.503SS..Hα-helixtrans-67-44.7176.6166.90000111.3A59 G65 A66 M67A59-V63 VanDerWaalsContact O-CB 3.32Å; A59-V63 WeakPolarHBondContact O-CB 3.45Å; A59-V63 WeakPolarHBondContact O-CG2 3.49Å; A59-V63 PolarHBondContact O-N 3.43Å; V63-G65 VanDerWaalsContact C-N 3.32Å; V63-A66 PolarHBondContact O-N 2.94Å; V63-M67 WeakPolarHBondContact O-CB 3.43Å; V63-M67 WeakPolarHBondContact O-CG 3.24Å; V63-M67 PolarHBondContact O-N 3.4Å
64V66.5Low66.7Low70 Ų7091 Ų9142%0.42451%0.514SS..Hα-helixtrans-66-38.1175.2175.20000110.7Q60 T68Q60-V64 WeakPolarHBondContact O-CB 3.41Å; Q60-V64 WeakPolarHBondContact O-CG2 3.27Å; Q60-V64 PolarHBondContact O-N 3.27Å; V64-T68 WeakPolarHBondContact O-CB 3.16Å; V64-T68 PolarHBondContact O-N 3.39Å; V64-T68 PolarHBondContact O-OG1 3.49Å
65G74.4Confident67.2Low30 Ų3090.7 Ų90.731%0.30952%0.515SS..Hα-helixtrans-63.7-46.9174.100000112.5G61 F62 V63 T68 V69G61-G65 WeakPolarHBondContact O-CA 3.32Å; G61-G65 PolarHBondContact O-N 2.87Å; F62-G65 PolarHBondContact O-N 2.79Å; V63-G65 VanDerWaalsContact C-N 3.32Å; G65-T68 PolarHBondContact O-N 2.81Å; G65-V69 WeakPolarHBondContact O-CB 3.39Å; G65-V69 VanDerWaalsContact O-CG2 3.24Å; G65-V69 WeakPolarHBondContact O-CG2 3.2Å; G65-V69 PolarHBondContact O-N 2.83Å
66A77.3Confident67.6Low53 Ų5391.3 Ų91.344%0.43851%0.51SS..Hα-helixtrans-64.2-40.5177.300000111.9F62 V63 V69 G70F62-A66 WeakPolarHBondContact O-CB 3.41Å; F62-A66 PolarHBondContact O-N 3.35Å; V63-A66 PolarHBondContact O-N 2.94Å; A66-V69 PolarHBondContact O-N 3.24Å; A66-G70 PolarHBondContact O-N 2.92Å
67M73.1Confident68Low133 Ų13386.3 Ų86.366%0.65550%0.495SS*.Hα-helixtrans-63.3-43.1173.1-79.2-176.7167.800111.8V63 G70 V71V63-M67 WeakPolarHBondContact O-CB 3.43Å; V63-M67 WeakPolarHBondContact O-CG 3.24Å; V63-M67 PolarHBondContact O-N 3.4Å; M67-G70 PolarHBondContact O-N 2.98Å; M67-V71 VanDerWaalsContact O-CG2 3.32Å; M67-V71 WeakPolarHBondContact O-CG2 3.32Å; M67-V71 PolarHBondContact O-N 2.92Å
68T72.9Confident68.2Low87 Ų8786 Ų8653%0.53449%0.49SS..Hα-helixtrans-64.8-44.6178.3-560000111.2V64 G65 L72V64-T68 WeakPolarHBondContact O-CB 3.16Å; V64-T68 PolarHBondContact O-N 3.39Å; V64-T68 PolarHBondContact O-OG1 3.49Å; G65-T68 PolarHBondContact O-N 2.81Å; T68-L72 VanDerWaalsContact O-CB 3.27Å; T68-L72 WeakPolarHBondContact O-CB 3.23Å; T68-L72 PolarHBondContact O-N 2.75Å
69V79.8Confident68.1Low95 Ų9592.2 Ų92.258%0.57650%0.503SS*.Hα-helixtrans-67.5-38.5177.5172.20000111.1G65 A66 L72 Y73G65-V69 WeakPolarHBondContact O-CB 3.39Å; G65-V69 VanDerWaalsContact O-CG2 3.24Å; G65-V69 WeakPolarHBondContact O-CG2 3.2Å; G65-V69 PolarHBondContact O-N 2.83Å; A66-V69 PolarHBondContact O-N 3.24Å; V69-L72 PolarHBondContact O-N 3.39Å; V69-Y73 WeakPolarHBondContact O-CB 3.44Å; V69-Y73 PolarHBondContact O-N 2.83Å
70G69.5Low68Low40 Ų4095.6 Ų95.641%0.41251%0.513SS..Hα-helixtrans-64.9-42.7176.700000112.8A66 M67 S74A66-G70 PolarHBondContact O-N 2.92Å; M67-G70 PolarHBondContact O-N 2.98Å; G70-S74 VanDerWaalsContact O-CB 3.27Å; G70-S74 WeakPolarHBondContact O-CB 3.07Å; G70-S74 PolarHBondContact O-N 2.87Å
71V67.5Low67.5Low87 Ų8797.6 Ų97.653%0.52752%0.516SS..Hα-helixtrans-66.3-43.3174.4172.30000110.8M67 S74 M75M67-V71 VanDerWaalsContact O-CG2 3.32Å; M67-V71 WeakPolarHBondContact O-CG2 3.32Å; M67-V71 PolarHBondContact O-N 2.92Å; V71-S74 PolarHBondContact O-N 3.42Å; V71-M75 HydrophobicContact CG1-SD 4.49Å; V71-M75 WeakPolarHBondContact O-CB 3.5Å; V71-M75 WeakPolarHBondContact O-CG 3.21Å; V71-M75 PolarHBondContact O-N 3.44Å
72L69.6Low66.9Low106 Ų106100.7 Ų100.756%0.55552%0.518SS*.Hα-helixtrans-64.4-42178.2-173.963.2000111.7T68 V69 M75 Y76T68-L72 VanDerWaalsContact O-CB 3.27Å; T68-L72 WeakPolarHBondContact O-CB 3.23Å; T68-L72 PolarHBondContact O-N 2.75Å; V69-L72 PolarHBondContact O-N 3.39Å; L72-M75 PolarHBondContact O-N 2.75Å; L72-Y76 WeakPolarHBondContact O-CB 3.06Å; L72-Y76 PolarHBondContact O-N 2.93Å
73Y66.6Low65.6Low166 Ų16697.9 Ų97.965%0.65152%0.515SS*.Hα-helixtrans-67.2-41.6176.5-172.4-97.1000111.5V69 Y76 N77V69-Y73 WeakPolarHBondContact O-CB 3.44Å; V69-Y73 PolarHBondContact O-N 2.83Å; Y73-Y76 PolarHBondContact O-N 2.92Å; Y73-N77 VanDerWaalsContact O-CB 3.27Å; Y73-N77 WeakPolarHBondContact O-CB 3.17Å; Y73-N77 PolarHBondContact O-N 2.8Å
74S62.8Low65.2Low69 Ų69101.7 Ų101.748%0.48353%0.526SS..Hα-helixtrans-62-43.9174.8-159.50000111G70 V71 Y76 N77 E78G70-S74 VanDerWaalsContact O-CB 3.27Å; G70-S74 WeakPolarHBondContact O-CB 3.07Å; G70-S74 PolarHBondContact O-N 2.87Å; V71-S74 PolarHBondContact O-N 3.42Å; S74-Y76 PolarHBondContact O-N 3.12Å; S74-N77 PolarHBondContact O-N 2.88Å; S74-E78 WeakPolarHBondContact O-CB 3.26Å; S74-E78 PolarHBondContact O-N 2.86Å
75M65.2Low64.5Low120 Ų120103 Ų10359%0.59153%0.527SS*.Hα-helixtrans-64.7-37.5174.4-76.9-174.771.700113V71 L72 Y79V71-M75 HydrophobicContact CG1-SD 4.49Å; V71-M75 WeakPolarHBondContact O-CB 3.5Å; V71-M75 WeakPolarHBondContact O-CG 3.21Å; V71-M75 PolarHBondContact O-N 3.44Å; L72-M75 PolarHBondContact O-N 2.75Å; M75-Y79 VanDerWaalsContact O-CB 3.26Å; M75-Y79 WeakPolarHBondContact O-CB 3.38Å; M75-Y79 PolarHBondContact O-N 3.49Å
76Y62.4Low63.4Low161 Ų161109.9 Ų109.963%0.63155%0.551SS**Hα-helixtrans-69.4-38.5177.9-131.5-92.3000111.8L72 Y73 S74 I80L72-Y76 WeakPolarHBondContact O-CB 3.06Å; L72-Y76 PolarHBondContact O-N 2.93Å; Y73-Y76 PolarHBondContact O-N 2.92Å; S74-Y76 PolarHBondContact O-N 3.12Å; Y76-I80 HydrophobicContact CD1-CD1 4.38Å; Y76-I80 WeakPolarHBondContact O-CG1 3.27Å; Y76-I80 PolarHBondContact O-N 3.36Å
77N64.5Low62Low58 Ų58113.7 Ų113.731%0.3156%0.56SS.*Hα-helixtrans-72.3-38.4176.1-162.136.9000111.4Y73 S74 I80 R81Y73-N77 VanDerWaalsContact O-CB 3.27Å; Y73-N77 WeakPolarHBondContact O-CB 3.17Å; Y73-N77 PolarHBondContact O-N 2.8Å; S74-N77 PolarHBondContact O-N 2.88Å; N77-I80 PolarHBondContact O-N 3.2Å; N77-R81 PolarHBondContact ND2-NH1 2.86Å; N77-R81 VanDerWaalsContact O-CB 3.24Å; N77-R81 WeakPolarHBondContact O-CB 3.21Å; N77-R81 VanDerWaalsContact O-CG 3.27Å; N77-R81 WeakPolarHBondContact O-CG 3.27Å; N77-R81 PolarHBondContact O-N 2.79Å
78E63.5Low60.9Low54 Ų54113.8 Ų113.825%0.25256%0.563SS.*Hα-helixtrans-57.7-49170.7-166.172.5-158.900110S74 I80 R81 H82 E85S74-E78 WeakPolarHBondContact O-CB 3.26Å; S74-E78 PolarHBondContact O-N 2.86Å; E78-I80 VanDerWaalsContact C-N 3.28Å; E78-I80 PolarHBondContact O-N 3.29Å; E78-R81 CarbonylContact O-C 3.16Å; E78-R81 VanDerWaalsContact O-CA 3.24Å; E78-R81 WeakPolarHBondContact O-CA 3.27Å; E78-R81 WeakPolarHBondContact O-CB 3.24Å; E78-R81 PolarHBondContact O-N 3.4Å; E78-H82 PolarHBondContact O-CD2 3.26Å; E78-H82 PolarHBondContact O-N 2.86Å; E78-E85 VanDerWaalsContact CD-CD 3.41Å; E78-E85 WeakPolarHBondContact OE1-CB 3.43Å; E78-E85 WeakPolarHBondContact OE1-CG 3.16Å; E78-E85 VanDerWaalsContact OE2-CD 3.23Å
79Y61.8Low59.6Low187 Ų187114.3 Ų114.373%0.73358%0.576SS**Hα-helixtrans-61.1-33.4179.3-170.1-103.6000113.5M75M75-Y79 VanDerWaalsContact O-CB 3.26Å; M75-Y79 WeakPolarHBondContact O-CB 3.38Å; M75-Y79 PolarHBondContact O-N 3.49Å
80I61.1Low57.8Low122 Ų122112.9 Ų112.963%0.62658%0.581SS**Hα-helixtrans-79.3-25.9171.7-64172.4000111.2Y76 N77 E78Y76-I80 HydrophobicContact CD1-CD1 4.38Å; Y76-I80 WeakPolarHBondContact O-CG1 3.27Å; Y76-I80 PolarHBondContact O-N 3.36Å; N77-I80 PolarHBondContact O-N 3.2Å; E78-I80 VanDerWaalsContact C-N 3.28Å; E78-I80 PolarHBondContact O-N 3.29Å
81R53.7Low56.7Low130 Ų130118.4 Ų118.449%0.49159%0.593SS.*Hα-helixtrans-88.41.9174.8-78.2-179.2137.4128.8-2.6114.8N77 E78 P83 K84N77-R81 PolarHBondContact ND2-NH1 2.86Å; N77-R81 VanDerWaalsContact O-CB 3.24Å; N77-R81 WeakPolarHBondContact O-CB 3.21Å; N77-R81 VanDerWaalsContact O-CG 3.27Å; N77-R81 WeakPolarHBondContact O-CG 3.27Å; N77-R81 PolarHBondContact O-N 2.79Å; E78-R81 CarbonylContact O-C 3.16Å; E78-R81 VanDerWaalsContact O-CA 3.24Å; E78-R81 WeakPolarHBondContact O-CA 3.27Å; E78-R81 WeakPolarHBondContact O-CB 3.24Å; E78-R81 PolarHBondContact O-N 3.4Å; R81-P83 VanDerWaalsContact O-CD 3.26Å; R81-P83 WeakPolarHBondContact O-CD 3.24Å; R81-K84 PolarHBondContact O-N 2.74Å
82H53.8Low55.4Low112 Ų112123.3 Ų123.352%0.51961%0.61SS.*THydrogen-bonded Turntrans-68.131.3178.7-103-93.3000115.2E78E78-H82 PolarHBondContact O-CD2 3.26Å; E78-H82 PolarHBondContact O-N 2.86Å
83P51.2Low53.9Low98 Ų98126.8 Ų126.864%0.63664%0.643SS**THydrogen-bonded Turntrans-111.46.7139.733.1-34000115.9R81R81-P83 VanDerWaalsContact O-CD 3.26Å; R81-P83 WeakPolarHBondContact O-CD 3.24Å
84K51.2Low53.3Low158 Ų158124.9 Ų124.969%0.68764%0.643SS**THydrogen-bonded Turntrans-121.3-19.3-171.6-70.8-160.7169.61070117.5R81R81-K84 PolarHBondContact O-N 2.74Å
85E52.5Low52.8Low97 Ų97127.8 Ų127.845%0.45365%0.652SS.*SBendtrans-90.5-30.1-174.6-54.2-127.8168.700112.9E78 Q87E78-E85 VanDerWaalsContact CD-CD 3.41Å; E78-E85 WeakPolarHBondContact OE1-CB 3.43Å; E78-E85 WeakPolarHBondContact OE1-CG 3.16Å; E78-E85 VanDerWaalsContact OE2-CD 3.23Å; E85-Q87 PolarHBondContact O-N 3.06Å
86E50.7Low52.1Low174 Ų174128.2 Ų128.281%0.81366%0.655SS**THydrogen-bonded Turntrans-69.4-13.4167.7-74.5-178.2111.600113.4
87Q48.5Very low51.5Low134 Ų134126.3 Ų126.363%0.62666%0.656SS**THydrogen-bonded Turntrans-94.5-10.7-178.3-137.8-17385.300114.3E85E85-Q87 PolarHBondContact O-N 3.06Å
88N49.8Very low50.7Low135 Ų135130.6 Ų130.672%0.72268%0.678SS**SBendtrans-109.71.9-176.9-143.9-10.9000114.6
89A46.6Very low49.8Very low97 Ų97135.7 Ų135.780%0.80271%0.706SS**SBendtrans-92.5-3.6166.700000113.1
90G42Very low49Very low65 Ų65132 Ų13267%0.6770%0.704SS**SBendtrans-110.85.3-178.300000116.3
91K44.8Very low48.1Very low156 Ų156132.8 Ų132.868%0.67871%0.71SS**  trans-109.532.8-177.5-74.1-171.2179.6177.10114.4
92H41.9Very low47.6Very low190 Ų190133 Ų13388%0.8873%0.729SS**  trans-129.651.8164.4-154.8-84.6000111.3
93S37.9Very low47Very low180 Ų180134.9 Ų134.9100%1.25975%0.748SS**  trans-142.30151.9-173.70000110

Retrieved 93 of 93 residues in 85.8 ms (Link to these results)