A0A093H220_STRCA Loading...

Protein chibby 1

AlphaFold DB , UniProt , Accession A0A093H220, Species STRCA (Struthio camelus australis), Gene n/a, Length 126 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
1M50Low63.8Low228 Ų228146.4 Ų146.4100%1.12380%0.798SS**  0128.40-72.3-168.316000108.6
2P53.4Low64.7Low132 Ų132151.3 Ų151.386%0.85781%0.806SS**  trans-86.3128.5175.933.3-26.7000109.4
3L58.8Low65.6Low140 Ų140149.6 Ų149.673%0.73381%0.805SS**  trans-124.8109.9175.5-72.1173.2000108
4F60.7Low66.4Low200 Ų200146.6 Ų146.688%0.87780%0.798SS**SBendtrans82.2101.5167.2-49.6-71.9000118.9
5G58.3Low66.8Low69 Ų69145.1 Ų145.171%0.71180%0.798SS**  94.473.4126.200000117.7T7G5-T7 VanDerWaalsContact C-N 3.32Å; G5-T7 PolarHBondContact O-N 2.79Å; G5-T7 VanDerWaalsContact O-N 3.09Å
6N60.7Low67.3Low164 Ų164150.2 Ų150.288%0.87780%0.802SS**  trans-72.594.3151.2-171.225.5000107.6F8N6-F8 PolarHBondContact O-N 3.31Å
7T65.4Low67.2Low115 Ų115154.3 Ų154.371%0.70681%0.811SS**  trans-66.799.71723.50000107.6G5 S9G5-T7 VanDerWaalsContact C-N 3.32Å; G5-T7 PolarHBondContact O-N 2.79Å; G5-T7 VanDerWaalsContact O-N 3.09Å; T7-S9 VanDerWaalsContact C-N 3.33Å; T7-S9 PolarHBondContact O-N 3.3Å; T7-S9 PolarHBondContact O-OG 3.31Å
8F72.1Confident67Low177 Ų177150.6 Ų150.678%0.77680%0.8SS**  trans-49.4101.5167.3179.8-109.4000108.3N6 P10N6-F8 PolarHBondContact O-N 3.31Å; F8-P10 HydrophobicContact CD1-CG 3.93Å; F8-P10 HydrophobicContact CE1-CB 3.94Å; F8-P10 HydrophobicContact CE1-CG 3.49Å; F8-P10 VanDerWaalsContact CE1-CG 3.49Å; F8-P10 HydrophobicContact CE2-CB 4.4Å; F8-P10 HydrophobicContact CZ-CB 3.82Å; F8-P10 HydrophobicContact CZ-CG 3.93Å; F8-P10 WeakPolarHBondContact O-CD 3.33Å
9S71.3Confident66.6Low100 Ų100146.8 Ų146.870%0.69979%0.792SS**  trans-117.369.6-17733.20000107.1T7 K11T7-S9 VanDerWaalsContact C-N 3.33Å; T7-S9 PolarHBondContact O-N 3.3Å; T7-S9 PolarHBondContact O-OG 3.31Å; S9-K11 PolarHBondContact O-N 3.48Å
10P75.3Confident66.5Low83 Ų83143.5 Ų143.554%0.53978%0.78SS.*PPolyproline II helixtrans-59.3130.7-17826-33.8000108.3F8 K12F8-P10 HydrophobicContact CD1-CG 3.93Å; F8-P10 HydrophobicContact CE1-CB 3.94Å; F8-P10 HydrophobicContact CE1-CG 3.49Å; F8-P10 VanDerWaalsContact CE1-CG 3.49Å; F8-P10 HydrophobicContact CE2-CB 4.4Å; F8-P10 HydrophobicContact CZ-CB 3.82Å; F8-P10 HydrophobicContact CZ-CG 3.93Å; F8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-K12 PolarHBondContact O-N 2.95Å
11K76.3Confident66.1Low202 Ų202144.8 Ų144.888%0.87879%0.786SS**PPolyproline II helixtrans-53.5138.4177-64.9-175.8179.2-178.80108.9S9 T13S9-K11 PolarHBondContact O-N 3.48Å; K11-T13 PolarHBondContact O-N 3.49Å; K11-T13 VanDerWaalsContact O-N 3.09Å
12K73.9Confident66.9Low205 Ų205136.1 Ų136.189%0.89175%0.748SS**PPolyproline II helixtrans-49.5121175.3-70.8-82.6-176.3173.80108.3P10P10-K12 PolarHBondContact O-N 2.95Å
13T76.4Confident67.6Low130 Ų130135.3 Ų135.380%0.79874%0.736SS**PPolyproline II helixtrans-59.9130.5179.133.50000108.9K11K11-T13 PolarHBondContact O-N 3.49Å; K11-T13 VanDerWaalsContact O-N 3.09Å
14P77.1Confident68.2Low108 Ų108132.5 Ų132.570%0.70172%0.721SS**PPolyproline II helixtrans-56.3146.1177.7-22.931.8000110.6R16P14-R16 PolarHBondContact O-N 3.29Å
15P72.8Confident68.7Low124 Ų124130.2 Ų130.281%0.80571%0.713SS**PPolyproline II helixtrans-52.3127.6172.5-2231.4000109.4K17P15-K17 PolarHBondContact O-N 2.95Å
16R74.1Confident69.7Low226 Ų226133.4 Ų133.485%0.85371%0.713SS**PPolyproline II helixtrans-61.4126.4175.2-70.8-176-173.5169.32.1107.9P14 S18P14-R16 PolarHBondContact O-N 3.29Å; R16-S18 PolarHBondContact O-N 3.33Å
17K66Low70.6Confident220 Ų220128.6 Ų128.696%0.95769%0.687SS**SBendtrans-67-15.3179-64.9-172.2-179-176.70113.3P15P15-K17 PolarHBondContact O-N 2.95Å
18S62.9Low71.7Confident88 Ų88127 Ų12762%0.61567%0.674SS**  trans-109.7105.2169.247.10000109R16R16-S18 PolarHBondContact O-N 3.33Å
19A60.9Low72.3Confident78 Ų78127.6 Ų127.665%0.64567%0.671SS**  trans-57.8155146.200000107.6L21A19-L21 PolarHBondContact O-N 3.49Å
20S63.6Low73Confident80 Ų80125.8 Ų125.856%0.55966%0.659SS**  trans-27.2136.3171.7178.50000112.7S22S20-S22 VanDerWaalsContact CB-OG 3.31Å; S20-S22 WeakPolarHBondContact CB-OG 3.38Å; S20-S22 CarbonylContact O-C 3.59Å; S20-S22 PolarHBondContact O-N 2.94Å; S20-S22 VanDerWaalsContact OG-CB 3.28Å; S20-S22 WeakPolarHBondContact OG-CB 3.47Å; S20-S22 PolarHBondContact OG-N 3.32Å; S20-S22 VanDerWaalsContact OG-N 3.11Å; S20-S22 PolarHBondContact OG-OG 3.06Å
21L59Low73.4Confident172 Ų172123.8 Ų123.890%0.90165%0.645SS**SBendtrans-57.2-6.4169.6-66.9-179.7000112.5A19 N23A19-L21 PolarHBondContact O-N 3.49Å; L21-N23 PolarHBondContact O-N 2.94Å; L21-N23 VanDerWaalsContact O-N 3.16Å
22S65.5Low73.8Confident46 Ų46120.2 Ų120.232%0.32263%0.626SS.*  trans-68.2107166.175.10000110.6S20 L24S20-S22 VanDerWaalsContact CB-OG 3.31Å; S20-S22 WeakPolarHBondContact CB-OG 3.38Å; S20-S22 CarbonylContact O-C 3.59Å; S20-S22 PolarHBondContact O-N 2.94Å; S20-S22 VanDerWaalsContact OG-CB 3.28Å; S20-S22 WeakPolarHBondContact OG-CB 3.47Å; S20-S22 PolarHBondContact OG-N 3.32Å; S20-S22 VanDerWaalsContact OG-N 3.11Å; S20-S22 PolarHBondContact OG-OG 3.06Å; S22-L24 PolarHBondContact O-N 3.45Å
23N68.5Low74.3Confident114 Ų114114.9 Ų114.961%0.6160%0.604SS**G310 helixtrans-66.617164.2-65.5-42.9000113.1L21 H25 L26L21-N23 PolarHBondContact O-N 2.94Å; L21-N23 VanDerWaalsContact O-N 3.16Å; N23-H25 PolarHBondContact O-N 3.44Å; N23-L26 HydrophobicContact CB-CD1 4.44Å; N23-L26 HydrophobicContact CB-CD2 4.37Å; N23-L26 WeakPolarHBondContact O-CB 3.47Å; N23-L26 PolarHBondContact O-N 3.45Å
24L71.1Confident74.6Confident81 Ų81114.5 Ų114.542%0.42460%0.596SS.*G310 helixtrans-57.2-31.8-179.1-121.9107.3000113S22 L26 L27 L36S22-L24 PolarHBondContact O-N 3.45Å; L24-L26 VanDerWaalsContact C-N 3.28Å; L24-L27 PolarHBondContact O-N 3.19Å; L24-L36 HydrophobicContact CD1-CD1 3.97Å; L24-L36 HydrophobicContact CD2-CD1 3.53Å; L24-L36 HydrophobicContact CG-CD1 3.69Å
25H70.9Confident74.7Confident152 Ų152115 Ų11570%0.70459%0.589SS**G310 helixtrans-76.3-13.4177.1-68.3-70.7000113.6N23N23-H25 PolarHBondContact O-N 3.44Å
26L79.5Confident75.2Confident137 Ų137113.7 Ų113.772%0.71758%0.575SS**G310 helixtrans-85.3-17175.3-76.865000111.6N23 L24N23-L26 HydrophobicContact CB-CD1 4.44Å; N23-L26 HydrophobicContact CB-CD2 4.37Å; N23-L26 WeakPolarHBondContact O-CB 3.47Å; N23-L26 PolarHBondContact O-N 3.45Å; L24-L26 VanDerWaalsContact C-N 3.28Å
27L81.2Confident75.6Confident62 Ų62104 Ų10433%0.32555%0.545SS..SBendtrans-67.6133.4172.6-62.1175.2000108.9L24 T31 R32L24-L27 PolarHBondContact O-N 3.19Å; L27-T31 HydrophobicContact CD2-CG2 4.13Å; L27-R32 HydrophobicContact CB-CB 4.45Å
28D87.8Confident76.3Confident81 Ų81101.4 Ų101.443%0.43354%0.541SS..  trans-65.5161.3171.273.8-60.8000110S30 T31 R32D28-S30 PolarHBondContact O-N 3.43Å; D28-S30 WeakPolarHBondContact OD2-CB 3.43Å; D28-S30 PolarHBondContact OD2-N 2.94Å; D28-S30 PolarHBondContact OD2-OG 3.02Å; D28-T31 PolarHBondContact O-N 3.39Å; D28-T31 WeakPolarHBondContact OD1-CB 3.42Å; D28-T31 PolarHBondContact OD1-OG1 3.39Å; D28-R32 PolarHBondContact O-N 3.11Å; D28-R32 VanDerWaalsContact O-N 3.09Å
29R84.4Confident77.4Confident190 Ų190105.7 Ų105.772%0.71755%0.551SS**Hα-helixtrans-55.9-38.9-174.3-177.7179.2175-164.5-3.9112.4E33R29-E33 IonicContact CZ-OE1 3.43Å; R29-E33 IonicContact NE-OE1 2.81Å; R29-E33 PolarHBondContact NE-OE1 3.31Å; R29-E33 IonicContact NH2-OE1 3.17Å; R29-E33 PolarHBondContact NH2-OE1 3.02Å; R29-E33 WeakPolarHBondContact O-CG 3.26Å; R29-E33 PolarHBondContact O-N 2.94Å; R29-E33 VanDerWaalsContact O-N 3.11Å
30S85.7Confident78.2Confident63 Ų63108.1 Ų108.144%0.44154%0.544SS..Hα-helixtrans-70.4-47.7-175.175.60000111.9D28 R32 E33 I34D28-S30 PolarHBondContact O-N 3.43Å; D28-S30 WeakPolarHBondContact OD2-CB 3.43Å; D28-S30 PolarHBondContact OD2-N 2.94Å; D28-S30 PolarHBondContact OD2-OG 3.02Å; S30-R32 VanDerWaalsContact C-N 3.3Å; S30-R32 PolarHBondContact O-N 3.48Å; S30-E33 PolarHBondContact O-N 3.19Å; S30-I34 WeakPolarHBondContact O-CG1 3.46Å; S30-I34 PolarHBondContact O-N 3.44Å
31T84.4Confident79.2Confident41 Ų41106.8 Ų106.825%0.25254%0.543SS..Hα-helixtrans-61.2-40.2176.5-54.40000111.4L27 D28 E33 I34 E35L27-T31 HydrophobicContact CD2-CG2 4.13Å; D28-T31 PolarHBondContact O-N 3.39Å; D28-T31 WeakPolarHBondContact OD1-CB 3.42Å; D28-T31 PolarHBondContact OD1-OG1 3.39Å; T31-E33 PolarHBondContact O-N 2.99Å; T31-I34 PolarHBondContact O-N 2.99Å; T31-E35 HydrophobicContact CG2-CG 4.18Å; T31-E35 WeakPolarHBondContact O-CB 3.42Å; T31-E35 PolarHBondContact O-N 3.25Å
32R84.6Confident80.5Confident127 Ų127102.3 Ų102.348%0.47952%0.523SS..Hα-helixtrans-63.5-40.3177.8-162.6-175.686.5175.86.5112.7L27 D28 S30 L36 G37L27-R32 HydrophobicContact CB-CB 4.45Å; D28-R32 PolarHBondContact O-N 3.11Å; D28-R32 VanDerWaalsContact O-N 3.09Å; S30-R32 VanDerWaalsContact C-N 3.3Å; S30-R32 PolarHBondContact O-N 3.48Å; R32-L36 CarbonylContact O-C 3.41Å; R32-L36 WeakPolarHBondContact O-CA 3.49Å; R32-L36 WeakPolarHBondContact O-CB 3.4Å; R32-L36 PolarHBondContact O-N 3.26Å; R32-G37 PolarHBondContact O-N 3.1Å
33E83.9Confident81.6Confident93 Ų93101.9 Ų101.944%0.43552%0.519SS..Hα-helixtrans-68.5-34.5177.8-75.7174.1-176.400111.7R29 S30 T31 G37R29-E33 IonicContact CZ-OE1 3.43Å; R29-E33 IonicContact NE-OE1 2.81Å; R29-E33 PolarHBondContact NE-OE1 3.31Å; R29-E33 IonicContact NH2-OE1 3.17Å; R29-E33 PolarHBondContact NH2-OE1 3.02Å; R29-E33 WeakPolarHBondContact O-CG 3.26Å; R29-E33 PolarHBondContact O-N 2.94Å; R29-E33 VanDerWaalsContact O-N 3.11Å; S30-E33 PolarHBondContact O-N 3.19Å; T31-E33 PolarHBondContact O-N 2.99Å; E33-G37 WeakPolarHBondContact O-CA 3.36Å; E33-G37 PolarHBondContact O-N 2.99Å
34I82.5Confident82.6Confident121 Ų121101.1 Ų101.162%0.62152%0.519SS*.Hα-helixtrans-74-48.1178.2-66.1165.2000111.9S30 T31 Y40S30-I34 WeakPolarHBondContact O-CG1 3.46Å; S30-I34 PolarHBondContact O-N 3.44Å; T31-I34 PolarHBondContact O-N 2.99Å; I34-Y40 WeakPolarHBondContact O-CB 3.48Å
35E80.1Confident83.3Confident118 Ų118100.7 Ų100.755%0.55152%0.515SS*.Hα-helixtrans-83.3-33.8-172.4-66.9-174.9173.100113.5T31T31-E35 HydrophobicContact CG2-CG 4.18Å; T31-E35 WeakPolarHBondContact O-CB 3.42Å; T31-E35 PolarHBondContact O-N 3.25Å
36L81.6Confident84.1Confident98 Ų9899.4 Ų99.451%0.51351%0.514SS..Hα-helixtrans-128.63.5-169-55.2173.9000112.7L24 R32L24-L36 HydrophobicContact CD1-CD1 3.97Å; L24-L36 HydrophobicContact CD2-CD1 3.53Å; L24-L36 HydrophobicContact CG-CD1 3.69Å; R32-L36 CarbonylContact O-C 3.41Å; R32-L36 WeakPolarHBondContact O-CA 3.49Å; R32-L36 WeakPolarHBondContact O-CB 3.4Å; R32-L36 PolarHBondContact O-N 3.26Å
37G82.4Confident84.4Confident21 Ų2198 Ų9822%0.21651%0.506CS..SBendtrans-78.2173.4176.100000112.6R32 E33 E39 Y40R32-G37 PolarHBondContact O-N 3.1Å; E33-G37 WeakPolarHBondContact O-CA 3.36Å; E33-G37 PolarHBondContact O-N 2.99Å; G37-E39 PolarHBondContact O-N 3.31Å; G37-Y40 VanDerWaalsContact O-CD1 3.31Å; G37-Y40 WeakPolarHBondContact O-CD1 3.42Å; G37-Y40 PolarHBondContact O-N 2.69Å
38L81.9Confident84.4Confident167 Ų16799.9 Ų99.987%0.87453%0.531SS*.THydrogen-bonded Turntrans-65.8-26.4176.1-113.369.8000112.7Y40L38-Y40 VanDerWaalsContact C-N 3.32Å; L38-Y40 PolarHBondContact O-N 3.48Å
39E85Confident84Confident177 Ų177100 Ų10083%0.82755%0.551SS**THydrogen-bonded Turntrans-93.121.9-176.2-57.1-60.4152.200112.9G37 G41G37-E39 PolarHBondContact O-N 3.31Å; E39-G41 PolarHBondContact O-N 2.92Å
40Y78.8Confident83.8Confident130 Ų13093.8 Ų93.851%0.5153%0.53SS..  trans-66.5-6.9-179.280-79.8000113.9I34 G37 L38 P43I34-Y40 WeakPolarHBondContact O-CB 3.48Å; G37-Y40 VanDerWaalsContact O-CD1 3.31Å; G37-Y40 WeakPolarHBondContact O-CD1 3.42Å; G37-Y40 PolarHBondContact O-N 2.69Å; L38-Y40 VanDerWaalsContact C-N 3.32Å; L38-Y40 PolarHBondContact O-N 3.48Å; Y40-P43 HydrophobicContact CE2-CB 4.35Å; Y40-P43 HydrophobicContact CE2-CG 3.91Å
41G84.8Confident83.9Confident51 Ų5192.4 Ų92.453%0.52652%0.52SS..  trans76.8-152.9177.400000113.6E39E39-G41 PolarHBondContact O-N 2.92Å
42T85.4Confident84.1Confident78 Ų7891.4 Ų91.448%0.47951%0.513SS..SBendtrans-74.4130.6178.6-55.90000110T44 F54T42-T44 PolarHBondContact O-N 2.91Å; T42-F54 WeakPolarHBondContact CG2-O 3.44Å
43P88.2Confident84.4Confident38 Ų3888.1 Ų88.125%0.24750%0.503CS..  trans-55130.4177.7-22.228.5000112.5Y40 F54 W59Y40-P43 HydrophobicContact CE2-CB 4.35Å; Y40-P43 HydrophobicContact CE2-CG 3.91Å; P43-F54 HydrophobicContact CB-CB 3.95Å; P43-F54 HydrophobicContact CG-CB 4.18Å; P43-F54 HydrophobicContact CG-CD1 4.49Å; P43-F54 PolarHBondContact O-N 2.95Å; P43-W59 HydrophobicContact CB-CH2 3.85Å; P43-W59 HydrophobicContact CB-CZ3 4.36Å; P43-W59 WeakPolarHBondContact O-CZ3 3.47Å
44T89.3Confident84.5Confident98 Ų9887.3 Ų87.360%0.60150%0.498SS*.EExtended strand (participates in β ladder)trans-122.4147.8174.260.40000111.4T42 L52 K53T42-T44 PolarHBondContact O-N 2.91Å; T44-L52 CarbonylContact C-O 3.6Å; T44-L52 WeakPolarHBondContact CA-O 3.48Å; T44-K53 HydrophobicContact CG2-CB 4.44Å
45M87.8Confident84.7Confident71 Ų7185 Ų8535%0.3548%0.484SS..EExtended strand (participates in β ladder)trans-137.8131.8179.7175.2171.368.100110.7L47 S51 L52 W59M45-L47 HydrophobicContact CE-CD2 4.46Å; M45-L47 HydrophobicContact CG-CB 4.42Å; M45-S51 CarbonylContact O-C 3.54Å; M45-L52 HydrophobicContact CB-CB 4.41Å; M45-L52 HydrophobicContact CE-CD1 3.41Å; M45-L52 VanDerWaalsContact CE-CD1 3.41Å; M45-L52 PolarHBondContact N-O 2.95Å; M45-L52 WeakPolarHBondContact O-CB 3.49Å; M45-L52 PolarHBondContact O-N 3.07Å; M45-W59 HydrophobicContact CB-CE3 4.33Å; M45-W59 HydrophobicContact CB-CH2 4.08Å; M45-W59 HydrophobicContact CB-CZ3 3.8Å; M45-W59 HydrophobicContact CE-CD2 4.45Å
46N87.1Confident85Confident126 Ų12687.4 Ų87.467%0.67450%0.501SS*.EExtended strand (participates in β ladder)trans-101.2111.7170.2-69.4-34.4000109.7Q50 S51N46-Q50 CarbonylContact C-O 3.53Å; N46-Q50 VanDerWaalsContact CA-O 3.27Å; N46-Q50 WeakPolarHBondContact CA-O 3.39Å; N46-S51 VanDerWaalsContact OD1-CA 3.29Å; N46-S51 WeakPolarHBondContact OD1-CA 3.37Å; N46-S51 WeakPolarHBondContact OD1-CB 3.41Å; N46-S51 PolarHBondContact OD1-OG 3.31Å
47L84.8Confident85.2Confident106 Ų10685.3 Ų85.356%0.55550%0.504SS*.EExtended strand (participates in β ladder)trans-128.3126.6179.1-173.665.6000109.9M45 G49 Q50 L52M45-L47 HydrophobicContact CE-CD2 4.46Å; M45-L47 HydrophobicContact CG-CB 4.42Å; L47-G49 PolarHBondContact O-N 3.12Å; L47-G49 VanDerWaalsContact O-N 3.14Å; L47-Q50 PolarHBondContact N-O 3.36Å; L47-Q50 WeakPolarHBondContact O-CB 3.3Å; L47-Q50 PolarHBondContact O-N 2.96Å; L47-L52 HydrophobicContact CB-CD1 4.38Å
48A81.3Confident85.3Confident102 Ų10291.1 Ų91.184%0.84353%0.525SS*.THydrogen-bonded Turntrans51.935.3-179.700000114.3Q50A48-Q50 VanDerWaalsContact C-N 3.29Å; A48-Q50 PolarHBondContact O-N 3.26Å
49G80.9Confident85.6Confident84 Ų8488.9 Ų88.987%0.86651%0.505SS*.THydrogen-bonded Turntrans78.77.4-178.300000114.9L47L47-G49 PolarHBondContact O-N 3.12Å; L47-G49 VanDerWaalsContact O-N 3.14Å
50Q80.3Confident85.5Confident60 Ų6083.3 Ų83.328%0.2848%0.483SS..EExtended strand (participates in β ladder)trans-104.3133174-58.2-176.3-400110.1N46 L47 A48 S65N46-Q50 CarbonylContact C-O 3.53Å; N46-Q50 VanDerWaalsContact CA-O 3.27Å; N46-Q50 WeakPolarHBondContact CA-O 3.39Å; L47-Q50 PolarHBondContact N-O 3.36Å; L47-Q50 WeakPolarHBondContact O-CB 3.3Å; L47-Q50 PolarHBondContact O-N 2.96Å; A48-Q50 VanDerWaalsContact C-N 3.29Å; A48-Q50 PolarHBondContact O-N 3.26Å; Q50-S65 PolarHBondContact NE2-O 3.39Å
51S86.1Confident85.7Confident33 Ų3377.7 Ų77.723%0.23146%0.464CS..EExtended strand (participates in β ladder)trans-90.7129.7170.8-152.30000110.4M45 N46 A61 E62M45-S51 CarbonylContact O-C 3.54Å; N46-S51 VanDerWaalsContact OD1-CA 3.29Å; N46-S51 WeakPolarHBondContact OD1-CA 3.37Å; N46-S51 WeakPolarHBondContact OD1-CB 3.41Å; N46-S51 PolarHBondContact OD1-OG 3.31Å; S51-A61 CarbonylContact O-C 3.59Å; S51-A61 WeakPolarHBondContact O-CA 3.24Å; S51-E62 PolarHBondContact O-N 2.82Å
52L89.4Confident85.3Confident20 Ų2080.9 Ų80.911%0.10547%0.465CS..EExtended strand (participates in β ladder)trans-120.7138.4-178.3-63.3156.1000108.5T44 M45 L47 W59 V60 A61T44-L52 CarbonylContact C-O 3.6Å; T44-L52 WeakPolarHBondContact CA-O 3.48Å; M45-L52 HydrophobicContact CB-CB 4.41Å; M45-L52 HydrophobicContact CE-CD1 3.41Å; M45-L52 VanDerWaalsContact CE-CD1 3.41Å; M45-L52 PolarHBondContact N-O 2.95Å; M45-L52 WeakPolarHBondContact O-CB 3.49Å; M45-L52 PolarHBondContact O-N 3.07Å; L47-L52 HydrophobicContact CB-CD1 4.38Å; L52-W59 HydrophobicContact CB-CE3 3.95Å; L52-V60 CarbonylContact C-O 3.6Å; L52-V60 WeakPolarHBondContact CA-O 3.36Å; L52-A61 HydrophobicContact CD2-CB 4.03Å
53K90.6Very high84.2Confident59 Ų5983.4 Ų83.426%0.25749%0.486SS..EExtended strand (participates in β ladder)trans-117.3141.3173.560.4179.8-174157.80110T44 E55 V60T44-K53 HydrophobicContact CG2-CB 4.44Å; K53-E55 HydrophobicContact CD-CG 4.22Å; K53-E55 VanDerWaalsContact CD-OE1 3.26Å; K53-E55 WeakPolarHBondContact CD-OE1 3.41Å; K53-E55 WeakPolarHBondContact CE-OE1 3.3Å; K53-E55 WeakPolarHBondContact CE-OE2 3.21Å; K53-E55 HydrophobicContact CG-CG 4.2Å; K53-E55 IonicContact NZ-OE1 2.7Å; K53-E55 PolarHBondContact NZ-OE1 3.49Å; K53-E55 IonicContact NZ-OE2 2.91Å; K53-E55 PolarHBondContact NZ-OE2 3.42Å; K53-V60 HydrophobicContact CG-CB 4.34Å; K53-V60 WeakPolarHBondContact CG-O 3.39Å; K53-V60 PolarHBondContact N-O 2.97Å; K53-V60 PolarHBondContact O-N 2.96Å
54F87.2Confident82.7Confident76 Ų7685.1 Ų85.133%0.33351%0.51SS..EExtended strand (participates in β ladder)trans-89.6106.1179.5-172.5-103.4000111.1T42 P43 G57 Q58 W59T42-F54 WeakPolarHBondContact CG2-O 3.44Å; P43-F54 HydrophobicContact CB-CB 3.95Å; P43-F54 HydrophobicContact CG-CB 4.18Å; P43-F54 HydrophobicContact CG-CD1 4.49Å; P43-F54 PolarHBondContact O-N 2.95Å; F54-G57 VanDerWaalsContact CE2-C 3.45Å; F54-G57 VanDerWaalsContact CZ-CA 3.45Å; F54-Q58 CarbonylContact C-O 3.52Å; F54-Q58 WeakPolarHBondContact CA-O 3.34Å; F54-W59 HydrophobicContact CB-CD2 4.26Å; F54-W59 HydrophobicContact CB-CE3 3.96Å; F54-W59 HydrophobicContact CB-CH2 4.13Å; F54-W59 HydrophobicContact CB-CZ2 4.4Å; F54-W59 HydrophobicContact CB-CZ3 3.89Å; F54-W59 AromaticContact CD2-CD2 3.98Å; F54-W59 HydrophobicContact CD2-CD2 3.98Å; F54-W59 AromaticContact CD2-CE2 3.86Å; F54-W59 HydrophobicContact CD2-CG 4.18Å; F54-W59 HydrophobicContact CD2-CZ2 4.32Å; F54-W59 AromaticContact CD2-NE1 3.94Å
55E86Confident80.9Confident71 Ų7183.6 Ų83.633%0.33250%0.503SS..EExtended strand (participates in β ladder)trans-129.9136.5-178.5-67.6-176.2164.900110.4K53 G57 Q58 V60K53-E55 HydrophobicContact CD-CG 4.22Å; K53-E55 VanDerWaalsContact CD-OE1 3.26Å; K53-E55 WeakPolarHBondContact CD-OE1 3.41Å; K53-E55 WeakPolarHBondContact CE-OE1 3.3Å; K53-E55 WeakPolarHBondContact CE-OE2 3.21Å; K53-E55 HydrophobicContact CG-CG 4.2Å; K53-E55 IonicContact NZ-OE1 2.7Å; K53-E55 PolarHBondContact NZ-OE1 3.49Å; K53-E55 IonicContact NZ-OE2 2.91Å; K53-E55 PolarHBondContact NZ-OE2 3.42Å; E55-G57 PolarHBondContact O-N 3.49Å; E55-G57 VanDerWaalsContact O-N 3.11Å; E55-Q58 PolarHBondContact N-O 3.17Å; E55-Q58 PolarHBondContact O-N 3.34Å; E55-Q58 VanDerWaalsContact O-O 3.04Å; E55-V60 HydrophobicContact CB-CG2 4.38Å
56N85.5Confident79.3Confident169 Ų16985 Ų8590%0.90451%0.508SS*.THydrogen-bonded Turntrans52.533.7177.4-56.7-40.9000114.8
57G86.6Confident77.9Confident55 Ų5584.7 Ų84.757%0.56751%0.51SS*.THydrogen-bonded Turntrans83.76.1179.800000114.9F54 E55F54-G57 VanDerWaalsContact CE2-C 3.45Å; F54-G57 VanDerWaalsContact CZ-CA 3.45Å; E55-G57 PolarHBondContact O-N 3.49Å; E55-G57 VanDerWaalsContact O-N 3.11Å
58Q85Confident76.7Confident142 Ų14281.9 Ų81.966%0.66451%0.507SS*.EExtended strand (participates in β ladder)trans-130.8149.3-177.9-61.8-177.3-2.700111.4F54 E55F54-Q58 CarbonylContact C-O 3.52Å; F54-Q58 WeakPolarHBondContact CA-O 3.34Å; E55-Q58 PolarHBondContact N-O 3.17Å; E55-Q58 PolarHBondContact O-N 3.34Å; E55-Q58 VanDerWaalsContact O-O 3.04Å
59W86.9Confident76.1Confident121 Ų12180.8 Ų80.846%0.45849%0.487SS..EExtended strand (participates in β ladder)trans-81.7116.9169.4-69.9101000109.3P43 M45 L52 F54P43-W59 HydrophobicContact CB-CH2 3.85Å; P43-W59 HydrophobicContact CB-CZ3 4.36Å; P43-W59 WeakPolarHBondContact O-CZ3 3.47Å; M45-W59 HydrophobicContact CB-CE3 4.33Å; M45-W59 HydrophobicContact CB-CH2 4.08Å; M45-W59 HydrophobicContact CB-CZ3 3.8Å; M45-W59 HydrophobicContact CE-CD2 4.45Å; L52-W59 HydrophobicContact CB-CE3 3.95Å; F54-W59 HydrophobicContact CB-CD2 4.26Å; F54-W59 HydrophobicContact CB-CE3 3.96Å; F54-W59 HydrophobicContact CB-CH2 4.13Å; F54-W59 HydrophobicContact CB-CZ2 4.4Å; F54-W59 HydrophobicContact CB-CZ3 3.89Å; F54-W59 AromaticContact CD2-CD2 3.98Å; F54-W59 HydrophobicContact CD2-CD2 3.98Å; F54-W59 AromaticContact CD2-CE2 3.86Å; F54-W59 HydrophobicContact CD2-CG 4.18Å; F54-W59 HydrophobicContact CD2-CZ2 4.32Å; F54-W59 AromaticContact CD2-NE1 3.94Å
60V84.6Confident75.6Confident59 Ų5985.4 Ų85.436%0.35848%0.479SS..EExtended strand (participates in β ladder)trans-111.4133180-1730000108.1L52 K53 E55 E62L52-V60 CarbonylContact C-O 3.6Å; L52-V60 WeakPolarHBondContact CA-O 3.36Å; K53-V60 HydrophobicContact CG-CB 4.34Å; K53-V60 WeakPolarHBondContact CG-O 3.39Å; K53-V60 PolarHBondContact N-O 2.97Å; K53-V60 PolarHBondContact O-N 2.96Å; E55-V60 HydrophobicContact CB-CG2 4.38Å; V60-E62 PolarHBondContact O-N 2.96Å
61A82.5Confident75.5Confident13 Ų1390.9 Ų90.911%0.10750%0.497CS..EExtended strand (participates in β ladder)trans-67.7135.5174.200000110.7S51 L52 S63 F66S51-A61 CarbonylContact O-C 3.59Å; S51-A61 WeakPolarHBondContact O-CA 3.24Å; L52-A61 HydrophobicContact CD2-CB 4.03Å; A61-S63 PolarHBondContact O-N 3.16Å; A61-F66 HydrophobicContact CB-CD2 3.87Å; A61-F66 HydrophobicContact CB-CE2 3.13Å; A61-F66 HydrophobicContact CB-CZ 3.75Å
62E75.9Confident75.3Confident118 Ų11895 Ų9555%0.55151%0.512SS*.  trans-61.6122.6165.2-156.4171.6-151.900107S51 V60 G64S51-E62 PolarHBondContact O-N 2.82Å; V60-E62 PolarHBondContact O-N 2.96Å; E62-G64 PolarHBondContact O-N 3.37Å
63S62.6Low75Confident131 Ų13198.3 Ų98.392%0.91653%0.528SS*.SBendtrans-49100-160.6-54.60000112.5A61A61-S63 PolarHBondContact O-N 3.16Å
64G56.4Low74.9Confident73 Ų73100.4 Ų100.475%0.75354%0.539SS*.SBendtrans-167.1-29.9-173.500000118.6E62E62-G64 PolarHBondContact O-N 3.37Å
65S50.8Low75.2Confident67 Ų67105.5 Ų105.547%0.46956%0.556SS.*  trans-157.859.7-169.8-169.20000116.9Q50Q50-S65 PolarHBondContact NE2-O 3.39Å
66F55.5Low75.6Confident100 Ų100106.8 Ų106.844%0.43957%0.565SS.*  trans-119.888.4161.5-67.8-66.9000111.8A61 G68 D69 R70A61-F66 HydrophobicContact CB-CD2 3.87Å; A61-F66 HydrophobicContact CB-CE2 3.13Å; A61-F66 HydrophobicContact CB-CZ 3.75Å; F66-G68 PolarHBondContact O-N 3.13Å; F66-D69 HydrophobicContact CB-CB 3.39Å; F66-D69 HydrophobicContact CG-CB 4.1Å; F66-R70 PolarHBondContact O-N 2.88Å; F66-R70 VanDerWaalsContact O-N 3.15Å
67T57.2Low76.1Confident119 Ų119107.1 Ų107.173%0.7355%0.553SS**Hα-helixtrans-66-25.4170.250.90000112.4
68G59.5Low76.6Confident48 Ų48111.2 Ų111.250%0.49556%0.556SS.*Hα-helixtrans-73.7-50.1173.200000113.4F66 R70 R71 E72F66-G68 PolarHBondContact O-N 3.13Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 3.36Å; G68-R71 PolarHBondContact O-N 2.7Å; G68-R71 VanDerWaalsContact O-N 3.12Å; G68-E72 PolarHBondContact O-N 3.37Å; G68-E72 VanDerWaalsContact O-N 3.08Å
69D68.1Low77.2Confident79 Ų79110.8 Ų110.842%0.42255%0.548SS..Hα-helixtrans-61.6-39.1178.5-172.522.6000111.7F66 R71 E72 M73F66-D69 HydrophobicContact CB-CB 3.39Å; F66-D69 HydrophobicContact CG-CB 4.1Å; D69-R71 VanDerWaalsContact C-N 3.3Å; D69-R71 PolarHBondContact O-N 2.96Å; D69-E72 PolarHBondContact O-N 2.97Å; D69-M73 WeakPolarHBondContact O-CB 3.39Å; D69-M73 PolarHBondContact O-N 3.3Å
70R71.4Confident77.7Confident180 Ų180109.4 Ų109.468%0.67955%0.549SS*.Hα-helixtrans-61.2-36.2175.5-173.5174.9170.2-172.9-1.5113F66 G68 Q74F66-R70 PolarHBondContact O-N 2.88Å; F66-R70 VanDerWaalsContact O-N 3.15Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 3.36Å; R70-Q74 WeakPolarHBondContact O-CB 3.39Å; R70-Q74 VanDerWaalsContact O-CG 3.26Å; R70-Q74 WeakPolarHBondContact O-CG 3.47Å; R70-Q74 PolarHBondContact O-N 2.96Å
71R78.1Confident78.3Confident176 Ų176111.8 Ų111.866%0.66456%0.557SS**Hα-helixtrans-73.2-42.3177.6-74.2-178.1-177.5-128.71.7111.4G68 D69 Q74 R75G68-R71 PolarHBondContact O-N 2.7Å; G68-R71 VanDerWaalsContact O-N 3.12Å; D69-R71 VanDerWaalsContact C-N 3.3Å; D69-R71 PolarHBondContact O-N 2.96Å; R71-Q74 PolarHBondContact O-N 3.31Å; R71-R75 WeakPolarHBondContact O-CG 3.39Å; R71-R75 PolarHBondContact O-N 3.04Å
72E81.9Confident79.1Confident118 Ų118116.1 Ų116.155%0.55157%0.574SS**Hα-helixtrans-64.2-47.6176.1-176.9163.5-164.300111G68 D69 Q74 R75 L76G68-E72 PolarHBondContact O-N 3.37Å; G68-E72 VanDerWaalsContact O-N 3.08Å; D69-E72 PolarHBondContact O-N 2.97Å; E72-Q74 VanDerWaalsContact C-N 3.3Å; E72-Q74 PolarHBondContact O-N 3.38Å; E72-R75 WeakPolarHBondContact O-CA 3.38Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 2.97Å; E72-L76 HydrophobicContact CG-CD1 3.78Å; E72-L76 VanDerWaalsContact O-CD1 3.28Å; E72-L76 WeakPolarHBondContact O-CD1 3.34Å; E72-L76 PolarHBondContact O-N 2.99Å
73M83.4Confident80.2Confident91 Ų91113.9 Ų113.945%0.44857%0.566SS.*Hα-helixtrans-57.9-40174.3-174.3171.4-70.600112.5D69 L76 R77D69-M73 WeakPolarHBondContact O-CB 3.39Å; D69-M73 PolarHBondContact O-N 3.3Å; M73-L76 PolarHBondContact O-N 3.07Å; M73-R77 WeakPolarHBondContact O-CB 3.41Å; M73-R77 VanDerWaalsContact O-CG 3.31Å; M73-R77 WeakPolarHBondContact O-CG 3.45Å; M73-R77 PolarHBondContact O-N 3.02Å
74Q87.9Confident81.9Confident103 Ų103113.4 Ų113.448%0.48155%0.549SS..Hα-helixtrans-65.1-39.3173.5-81.6-178.1-13.800112.8R70 R71 E72 K78R70-Q74 WeakPolarHBondContact O-CB 3.39Å; R70-Q74 VanDerWaalsContact O-CG 3.26Å; R70-Q74 WeakPolarHBondContact O-CG 3.47Å; R70-Q74 PolarHBondContact O-N 2.96Å; R71-Q74 PolarHBondContact O-N 3.31Å; E72-Q74 VanDerWaalsContact C-N 3.3Å; E72-Q74 PolarHBondContact O-N 3.38Å; Q74-K78 WeakPolarHBondContact O-CG 3.26Å; Q74-K78 PolarHBondContact O-N 3.23Å; Q74-K78 VanDerWaalsContact O-N 3.08Å
75R93.5Very high83.9Confident183 Ų183115.3 Ų115.369%0.69154%0.539SS*.Hα-helixtrans-65.6-45.2175.4-73.3173.9177.7174.3-1.8111.3R71 E72 R77 K78 R79R71-R75 WeakPolarHBondContact O-CG 3.39Å; R71-R75 PolarHBondContact O-N 3.04Å; E72-R75 WeakPolarHBondContact O-CA 3.38Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 2.97Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-R77 PolarHBondContact O-N 3.04Å; R75-K78 PolarHBondContact O-N 3.49Å; R75-R79 PolarHBondContact O-N 3.33Å
76L94.6Very high86.1Confident97 Ų97116.9 Ų116.951%0.50854%0.539SS..Hα-helixtrans-61-43.5176.7-93.973.5000111.3E72 M73 K78 R79 N80E72-L76 HydrophobicContact CG-CD1 3.78Å; E72-L76 VanDerWaalsContact O-CD1 3.28Å; E72-L76 WeakPolarHBondContact O-CD1 3.34Å; E72-L76 PolarHBondContact O-N 2.99Å; M73-L76 PolarHBondContact O-N 3.07Å; L76-K78 PolarHBondContact O-N 2.87Å; L76-R79 PolarHBondContact O-N 2.96Å; L76-N80 WeakPolarHBondContact O-CB 3.43Å; L76-N80 PolarHBondContact O-N 3.4Å
77R95.3Very high88.2Confident176 Ų176115.6 Ų115.666%0.66454%0.536SS*.Hα-helixtrans-59.2-46.9175.4-78-178.3-179.1-162.71.2112.2M73 R75 R79 N80 Q81M73-R77 WeakPolarHBondContact O-CB 3.41Å; M73-R77 VanDerWaalsContact O-CG 3.31Å; M73-R77 WeakPolarHBondContact O-CG 3.45Å; M73-R77 PolarHBondContact O-N 3.02Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-R77 PolarHBondContact O-N 3.04Å; R77-R79 VanDerWaalsContact C-N 3.33Å; R77-R79 PolarHBondContact O-N 3.33Å; R77-N80 PolarHBondContact O-N 2.91Å; R77-Q81 PolarHBondContact O-N 3.27Å
78K96.9Very high90.2Very high142 Ų142114.5 Ų114.562%0.61753%0.526SS*.Hα-helixtrans-61.2-41.8175.9-74.8-177.5178-1720112Q74 R75 L76 Q81 Q82Q74-K78 WeakPolarHBondContact O-CG 3.26Å; Q74-K78 PolarHBondContact O-N 3.23Å; Q74-K78 VanDerWaalsContact O-N 3.08Å; R75-K78 PolarHBondContact O-N 3.49Å; L76-K78 PolarHBondContact O-N 2.87Å; K78-Q81 PolarHBondContact O-N 3.31Å; K78-Q82 WeakPolarHBondContact O-CG 3.43Å; K78-Q82 PolarHBondContact O-N 3.34Å
79R97.4Very high92.1Very high133 Ų133116.4 Ų116.450%0.50252%0.524SS..Hα-helixtrans-67-41.3179.4-174.657.6-180155.65.7111.8R75 L76 R77 Q82 L83R75-R79 PolarHBondContact O-N 3.33Å; L76-R79 PolarHBondContact O-N 2.96Å; R77-R79 VanDerWaalsContact C-N 3.33Å; R77-R79 PolarHBondContact O-N 3.33Å; R79-Q82 PolarHBondContact O-N 3.04Å; R79-L83 HydrophobicContact CG-CD1 4.12Å; R79-L83 WeakPolarHBondContact O-CB 3.44Å; R79-L83 VanDerWaalsContact O-CG 3.28Å; R79-L83 WeakPolarHBondContact O-CG 3.28Å; R79-L83 PolarHBondContact O-N 3.03Å
80N97.8Very high93.5Very high91 Ų91116.8 Ų116.849%0.48753%0.526SS..Hα-helixtrans-61.3-46.2174.4-99.8-43000111.5L76 R77 Q82 L83 E84L76-N80 WeakPolarHBondContact O-CB 3.43Å; L76-N80 PolarHBondContact O-N 3.4Å; R77-N80 PolarHBondContact O-N 2.91Å; N80-Q82 VanDerWaalsContact C-N 3.33Å; N80-Q82 PolarHBondContact O-N 2.96Å; N80-L83 PolarHBondContact O-N 3.38Å; N80-L83 VanDerWaalsContact O-N 3.12Å; N80-E84 WeakPolarHBondContact O-CG 3.48Å; N80-E84 PolarHBondContact O-N 3.37Å
81Q98.3Very high94.8Very high110 Ų110115.6 Ų115.651%0.51452%0.521SS..Hα-helixtrans-57.9-45.7176.8-176.11788.600112R77 K78 L83 E84 E85R77-Q81 PolarHBondContact O-N 3.27Å; K78-Q81 PolarHBondContact O-N 3.31Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 2.93Å; Q81-E84 PolarHBondContact O-N 3.38Å; Q81-E85 PolarHBondContact NE2-OE1 3.43Å; Q81-E85 WeakPolarHBondContact O-CG 3.5Å; Q81-E85 PolarHBondContact O-N 3.44Å
82Q98.4Very high95.8Very high103 Ų103111.9 Ų111.948%0.48151%0.514SS..Hα-helixtrans-61.2-41.1175.9-73.5174.9-7.400112.5K78 R79 N80 E85 E86K78-Q82 WeakPolarHBondContact O-CG 3.43Å; K78-Q82 PolarHBondContact O-N 3.34Å; R79-Q82 PolarHBondContact O-N 3.04Å; N80-Q82 VanDerWaalsContact C-N 3.33Å; N80-Q82 PolarHBondContact O-N 2.96Å; Q82-E85 PolarHBondContact O-N 2.96Å; Q82-E86 WeakPolarHBondContact O-CB 3.35Å; Q82-E86 PolarHBondContact O-N 3.37Å
83L98.6Very high96.6Very high72 Ų72111.4 Ų111.438%0.37751%0.51SS..Hα-helixtrans-67.1-37.5178.2-74170.5000111.7R79 N80 Q81 N87R79-L83 HydrophobicContact CG-CD1 4.12Å; R79-L83 WeakPolarHBondContact O-CB 3.44Å; R79-L83 VanDerWaalsContact O-CG 3.28Å; R79-L83 WeakPolarHBondContact O-CG 3.28Å; R79-L83 PolarHBondContact O-N 3.03Å; N80-L83 PolarHBondContact O-N 3.38Å; N80-L83 VanDerWaalsContact O-N 3.12Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 2.93Å; L83-N87 VanDerWaalsContact O-CB 3.28Å; L83-N87 WeakPolarHBondContact O-CB 3.28Å; L83-N87 PolarHBondContact O-N 3.38Å
84E98.5Very high97.3Very high121 Ų121110.9 Ų110.957%0.56551%0.512SS*.Hα-helixtrans-65.3-44.2174.3-75175.4-179.700111.5N80 Q81 N87 N88N80-E84 WeakPolarHBondContact O-CG 3.48Å; N80-E84 PolarHBondContact O-N 3.37Å; Q81-E84 PolarHBondContact O-N 3.38Å; E84-N87 PolarHBondContact O-N 3.43Å; E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 VanDerWaalsContact O-CG 3.23Å; E84-N88 PolarHBondContact O-N 2.98Å; E84-N88 PolarHBondContact O-ND2 3.29Å
85E98.4Very high97.8Very high113 Ų113110.2 Ų110.253%0.52851%0.512SS..Hα-helixtrans-61.7-44.6175.4-73.2170.8-169.400111.7Q81 Q82 N88 L89Q81-E85 PolarHBondContact NE2-OE1 3.43Å; Q81-E85 WeakPolarHBondContact O-CG 3.5Å; Q81-E85 PolarHBondContact O-N 3.44Å; Q82-E85 PolarHBondContact O-N 2.96Å; E85-N88 PolarHBondContact O-N 2.93Å; E85-L89 WeakPolarHBondContact O-CB 3.41Å; E85-L89 PolarHBondContact O-N 3.48Å
86E98.5Very high98.1Very high100 Ų100105.5 Ų105.547%0.46750%0.499SS..Hα-helixtrans-63.2-42.2175.3-173177.1-179.200111.5Q82 N88 L89 L90Q82-E86 WeakPolarHBondContact O-CB 3.35Å; Q82-E86 PolarHBondContact O-N 3.37Å; E86-N88 PolarHBondContact O-N 3.29Å; E86-L89 PolarHBondContact O-N 2.93Å; E86-L90 HydrophobicContact CG-CD1 4.1Å; E86-L90 HydrophobicContact CG-CG 4.46Å; E86-L90 WeakPolarHBondContact O-CB 3.26Å; E86-L90 VanDerWaalsContact O-CG 3.26Å; E86-L90 WeakPolarHBondContact O-CG 3.39Å; E86-L90 PolarHBondContact O-N 3.45Å
87N98.7Very high98.3Very high73 Ų73105.4 Ų105.439%0.3950%0.499SS..Hα-helixtrans-62.3-44.4177.4-162.3-91.3000111.7L83 E84 L90 R91L83-N87 VanDerWaalsContact O-CB 3.28Å; L83-N87 WeakPolarHBondContact O-CB 3.28Å; L83-N87 PolarHBondContact O-N 3.38Å; E84-N87 PolarHBondContact O-N 3.43Å; N87-L90 PolarHBondContact O-N 2.9Å; N87-R91 WeakPolarHBondContact O-CG 3.28Å; N87-R91 PolarHBondContact O-N 3.49Å; N87-R91 VanDerWaalsContact OD1-CZ 3.24Å; N87-R91 PolarHBondContact OD1-NE 2.86Å; N87-R91 PolarHBondContact OD1-NH2 2.88Å
88N98.7Very high98.5Very high95 Ų95101.7 Ų101.751%0.50849%0.492SS..Hα-helixtrans-63.3-42.8176.9-70.7-24.7000111.7E84 E85 E86 R91 L92E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 VanDerWaalsContact O-CG 3.23Å; E84-N88 PolarHBondContact O-N 2.98Å; E84-N88 PolarHBondContact O-ND2 3.29Å; E85-N88 PolarHBondContact O-N 2.93Å; E86-N88 PolarHBondContact O-N 3.29Å; N88-R91 PolarHBondContact O-N 3.08Å; N88-L92 PolarHBondContact O-N 3.23Å
89L98.7Very high98.5Very high89 Ų89100 Ų10047%0.46649%0.489SS..Hα-helixtrans-62.9-43175.7178.563.2000111.8E85 E86 L92 K93E85-L89 WeakPolarHBondContact O-CB 3.41Å; E85-L89 PolarHBondContact O-N 3.48Å; E86-L89 PolarHBondContact O-N 2.93Å; L89-L92 PolarHBondContact O-N 3.48Å; L89-K93 HydrophobicContact CG-CD 4.47Å; L89-K93 WeakPolarHBondContact O-CG 3.19Å; L89-K93 PolarHBondContact O-N 3.12Å
90L98.8Very high98.6Very high87 Ų8797.9 Ų97.946%0.45549%0.486SS..Hα-helixtrans-63.7-41.5178.1-74.1171.3000111.5E86 N87 K93 V94E86-L90 HydrophobicContact CG-CD1 4.1Å; E86-L90 HydrophobicContact CG-CG 4.46Å; E86-L90 WeakPolarHBondContact O-CB 3.26Å; E86-L90 VanDerWaalsContact O-CG 3.26Å; E86-L90 WeakPolarHBondContact O-CG 3.39Å; E86-L90 PolarHBondContact O-N 3.45Å; N87-L90 PolarHBondContact O-N 2.9Å; L90-K93 PolarHBondContact O-N 2.86Å; L90-V94 WeakPolarHBondContact O-CG2 3.48Å; L90-V94 PolarHBondContact O-N 2.84Å
91R98.7Very high98.6Very high155 Ų15598.7 Ų98.759%0.58549%0.49SS*.Hα-helixtrans-58.5-49.9173.7-74.1176.6-179.2175.92111.5N87 N88 K93 V94 D95N87-R91 WeakPolarHBondContact O-CG 3.28Å; N87-R91 PolarHBondContact O-N 3.49Å; N87-R91 VanDerWaalsContact OD1-CZ 3.24Å; N87-R91 PolarHBondContact OD1-NE 2.86Å; N87-R91 PolarHBondContact OD1-NH2 2.88Å; N88-R91 PolarHBondContact O-N 3.08Å; R91-K93 VanDerWaalsContact C-N 3.29Å; R91-K93 PolarHBondContact O-N 3.05Å; R91-V94 WeakPolarHBondContact O-CB 3.31Å; R91-V94 PolarHBondContact O-N 3.01Å; R91-V94 VanDerWaalsContact O-N 3.07Å; R91-D95 PolarHBondContact O-N 3.02Å
92L98.8Very high98.6Very high97 Ų9796.9 Ų96.951%0.50849%0.489SS..Hα-helixtrans-59.2-40178.1-176.865.1000112.4N88 L89 V94 D95 I96N88-L92 PolarHBondContact O-N 3.23Å; L89-L92 PolarHBondContact O-N 3.48Å; L92-V94 VanDerWaalsContact C-N 3.35Å; L92-D95 PolarHBondContact O-N 3.38Å; L92-I96 HydrophobicContact CD1-CD1 4.27Å; L92-I96 HydrophobicContact CG-CD1 3.98Å; L92-I96 VanDerWaalsContact O-CG1 3.3Å; L92-I96 WeakPolarHBondContact O-CG1 2.93Å; L92-I96 PolarHBondContact O-N 2.96Å
93K98.7Very high98.6Very high108 Ų10897.5 Ų97.547%0.4749%0.492SS..Hα-helixtrans-63.2-40.8175.7-75.7177.8178.7-179.30112.2L89 L90 R91 L97L89-K93 HydrophobicContact CG-CD 4.47Å; L89-K93 WeakPolarHBondContact O-CG 3.19Å; L89-K93 PolarHBondContact O-N 3.12Å; L90-K93 PolarHBondContact O-N 2.86Å; R91-K93 VanDerWaalsContact C-N 3.29Å; R91-K93 PolarHBondContact O-N 3.05Å; K93-L97 WeakPolarHBondContact O-CB 3.15Å; K93-L97 WeakPolarHBondContact O-CD1 3.39Å; K93-L97 WeakPolarHBondContact O-CG 3.43Å; K93-L97 PolarHBondContact O-N 3.49Å
94V98.8Very high98.6Very high80 Ų8098.1 Ų98.149%0.48550%0.499SS..Hα-helixtrans-63.4-45.3176.8169.50000110.3L90 R91 L92 I96 L97 L98L90-V94 WeakPolarHBondContact O-CG2 3.48Å; L90-V94 PolarHBondContact O-N 2.84Å; R91-V94 WeakPolarHBondContact O-CB 3.31Å; R91-V94 PolarHBondContact O-N 3.01Å; R91-V94 VanDerWaalsContact O-N 3.07Å; L92-V94 VanDerWaalsContact C-N 3.35Å; V94-I96 PolarHBondContact O-N 2.76Å; V94-L97 PolarHBondContact O-N 3.15Å; V94-L98 HydrophobicContact CG1-CD1 4.03Å; V94-L98 HydrophobicContact CG1-CG 4.42Å; V94-L98 WeakPolarHBondContact O-CG 3.08Å; V94-L98 PolarHBondContact O-N 3.12Å
95D98.7Very high98.6Very high90 Ų9095.8 Ų95.848%0.48149%0.493SS..Hα-helixtrans-60.5-48.4179.3-65.4-20.2000111.3R91 L92 L97 L98 D99R91-D95 PolarHBondContact O-N 3.02Å; L92-D95 PolarHBondContact O-N 3.38Å; D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact O-N 3.31Å; D95-L98 WeakPolarHBondContact O-CB 3.26Å; D95-L98 PolarHBondContact O-N 3.41Å; D95-L98 VanDerWaalsContact O-N 3.16Å; D95-D99 PolarHBondContact O-N 3.28Å
96I98.7Very high98.6Very high83 Ų8392.9 Ų92.943%0.42649%0.489SS..Hα-helixtrans-61.5-40.7177-65.6166.5000111.5L92 V94 L98 D99 M100L92-I96 HydrophobicContact CD1-CD1 4.27Å; L92-I96 HydrophobicContact CG-CD1 3.98Å; L92-I96 VanDerWaalsContact O-CG1 3.3Å; L92-I96 WeakPolarHBondContact O-CG1 2.93Å; L92-I96 PolarHBondContact O-N 2.96Å; V94-I96 PolarHBondContact O-N 2.76Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 2.7Å; I96-D99 PolarHBondContact O-N 2.91Å; I96-M100 HydrophobicContact CG2-CE 4.06Å; I96-M100 HydrophobicContact CG2-CG 4.46Å; I96-M100 HydrophobicContact CG2-SD 4.33Å; I96-M100 WeakPolarHBondContact O-CG 3.41Å; I96-M100 PolarHBondContact O-N 3.42Å
97L98.8Very high98.6Very high96 Ų9692.8 Ų92.850%0.50349%0.488SS..Hα-helixtrans-64.7-37.8177.4-77.5166.4000111.8K93 V94 D95 M100 L101K93-L97 WeakPolarHBondContact O-CB 3.15Å; K93-L97 WeakPolarHBondContact O-CD1 3.39Å; K93-L97 WeakPolarHBondContact O-CG 3.43Å; K93-L97 PolarHBondContact O-N 3.49Å; V94-L97 PolarHBondContact O-N 3.15Å; D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact O-N 3.31Å; L97-M100 HydrophobicContact CD2-CE 3.57Å; L97-M100 HydrophobicContact CG-CE 4.21Å; L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 VanDerWaalsContact O-CG 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 3.27Å
98L98.8Very high98.6Very high98 Ų9892.6 Ų92.651%0.51349%0.493SS..Hα-helixtrans-66.1-42.1174.9-72.5172.7000111.5V94 D95 I96 L101 S102V94-L98 HydrophobicContact CG1-CD1 4.03Å; V94-L98 HydrophobicContact CG1-CG 4.42Å; V94-L98 WeakPolarHBondContact O-CG 3.08Å; V94-L98 PolarHBondContact O-N 3.12Å; D95-L98 WeakPolarHBondContact O-CB 3.26Å; D95-L98 PolarHBondContact O-N 3.41Å; D95-L98 VanDerWaalsContact O-N 3.16Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 2.7Å; L98-L101 PolarHBondContact O-N 2.82Å; L98-S102 WeakPolarHBondContact O-CB 3.47Å; L98-S102 PolarHBondContact O-N 2.83Å; L98-S102 PolarHBondContact O-OG 3.11Å
99D98.6Very high98.5Very high106 Ų10693.4 Ų93.457%0.56749%0.493SS*.Hα-helixtrans-59.8-50.5175.3-71.9-16.9000110.9D95 I96 L101 S102 E103D95-D99 PolarHBondContact O-N 3.28Å; I96-D99 PolarHBondContact O-N 2.91Å; D99-L101 VanDerWaalsContact C-N 3.33Å; D99-L101 PolarHBondContact O-N 3.24Å; D99-S102 PolarHBondContact O-N 3.41Å; D99-S102 VanDerWaalsContact O-N 3.13Å; D99-S102 PolarHBondContact O-OG 2.88Å; D99-E103 PolarHBondContact O-N 3.39Å
100M98.6Very high98.5Very high89 Ų8994.3 Ų94.344%0.43850%0.498SS..Hα-helixtrans-62-38.9178.4-69.6-173.3-56.600112.8I96 L97 T104I96-M100 HydrophobicContact CG2-CE 4.06Å; I96-M100 HydrophobicContact CG2-CG 4.46Å; I96-M100 HydrophobicContact CG2-SD 4.33Å; I96-M100 WeakPolarHBondContact O-CG 3.41Å; I96-M100 PolarHBondContact O-N 3.42Å; L97-M100 HydrophobicContact CD2-CE 3.57Å; L97-M100 HydrophobicContact CG-CE 4.21Å; M100-T104 WeakPolarHBondContact O-CB 3.21Å; M100-T104 PolarHBondContact O-N 3.4Å; M100-T104 PolarHBondContact O-OG1 3.08Å
101L98.7Very high98.4Very high108 Ų10896 Ų9657%0.56551%0.505SS*.Hα-helixtrans-65-41.2175.1-79.2169.7000111.3L97 L98 D99 T105L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 VanDerWaalsContact O-CG 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 3.27Å; L98-L101 PolarHBondContact O-N 2.82Å; D99-L101 VanDerWaalsContact C-N 3.33Å; D99-L101 PolarHBondContact O-N 3.24Å; L101-T105 VanDerWaalsContact O-CB 3.3Å; L101-T105 WeakPolarHBondContact O-CB 3.14Å; L101-T105 PolarHBondContact O-N 2.77Å; L101-T105 PolarHBondContact O-OG1 2.78Å
102S98.4Very high98.3Very high71 Ų7193.9 Ų93.950%0.49750%0.502SS..Hα-helixtrans-65.7-41.4177.877.10000112.1L98 D99 T105 A106L98-S102 WeakPolarHBondContact O-CB 3.47Å; L98-S102 PolarHBondContact O-N 2.83Å; L98-S102 PolarHBondContact O-OG 3.11Å; D99-S102 PolarHBondContact O-N 3.41Å; D99-S102 VanDerWaalsContact O-N 3.13Å; D99-S102 PolarHBondContact O-OG 2.88Å; S102-T105 PolarHBondContact O-N 2.99Å; S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 2.81Å
103E98.4Very high98.2Very high117 Ų11795.1 Ų95.155%0.54750%0.503SS..Hα-helixtrans-61.9-51.6175.2-177173.6-149.300110.9D99 T105 A106 E107D99-E103 PolarHBondContact O-N 3.39Å; E103-T105 VanDerWaalsContact C-N 3.25Å; E103-T105 PolarHBondContact O-N 2.77Å; E103-A106 PolarHBondContact O-N 3.32Å; E103-A106 VanDerWaalsContact O-N 3.12Å; E103-E107 WeakPolarHBondContact O-CG 3.45Å; E103-E107 PolarHBondContact O-N 2.88Å
104T98.3Very high98.1Very high84 Ų8495.6 Ų95.652%0.51551%0.507SS..Hα-helixtrans-59.1-38.2178.1-55.20000111.8M100 S108M100-T104 WeakPolarHBondContact O-CB 3.21Å; M100-T104 PolarHBondContact O-N 3.4Å; M100-T104 PolarHBondContact O-OG1 3.08Å; T104-S108 WeakPolarHBondContact O-CB 3.48Å; T104-S108 PolarHBondContact O-N 3.28Å
105T98.4Very high98Very high73 Ų7397.4 Ų97.445%0.44851%0.513SS..Hα-helixtrans-67.9-42178.3-58.80000111.1L101 S102 E103 S108 H109L101-T105 VanDerWaalsContact O-CB 3.3Å; L101-T105 WeakPolarHBondContact O-CB 3.14Å; L101-T105 PolarHBondContact O-N 2.77Å; L101-T105 PolarHBondContact O-OG1 2.78Å; S102-T105 PolarHBondContact O-N 2.99Å; E103-T105 VanDerWaalsContact C-N 3.25Å; E103-T105 PolarHBondContact O-N 2.77Å; T105-S108 PolarHBondContact O-N 3.07Å; T105-H109 PolarHBondContact O-CD2 2.77Å; T105-H109 PolarHBondContact O-N 3.06Å; T105-H109 VanDerWaalsContact O-N 3.07Å
106A98.3Very high97.8Very high52 Ų5298.5 Ų98.543%0.4352%0.515SS..Hα-helixtrans-63.9-45175.800000111.9S102 E103 S108 H109 L110S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 2.81Å; E103-A106 PolarHBondContact O-N 3.32Å; E103-A106 VanDerWaalsContact O-N 3.12Å; A106-S108 PolarHBondContact O-N 3.5Å; A106-H109 PolarHBondContact O-N 3.36Å; A106-L110 WeakPolarHBondContact O-CG 3.31Å; A106-L110 PolarHBondContact O-N 3.47Å
107E97.9Very high97.7Very high98 Ų9899.1 Ų99.146%0.45852%0.516SS..Hα-helixtrans-59.5-45174.6-71.8-173.4163.700111.9E103 H109 L110 M111E103-E107 WeakPolarHBondContact O-CG 3.45Å; E103-E107 PolarHBondContact O-N 2.88Å; E107-H109 VanDerWaalsContact C-N 3.32Å; E107-H109 PolarHBondContact O-N 3.17Å; E107-L110 PolarHBondContact O-N 2.93Å; E107-M111 WeakPolarHBondContact O-CG 3.27Å; E107-M111 PolarHBondContact O-N 2.91Å
108S97.9Very high97.4Very high69 Ų69100.5 Ų100.548%0.48352%0.524SS..Hα-helixtrans-60.1-42.4177.8-173.40000111.9T104 T105 A106 M111 E112T104-S108 WeakPolarHBondContact O-CB 3.48Å; T104-S108 PolarHBondContact O-N 3.28Å; T105-S108 PolarHBondContact O-N 3.07Å; A106-S108 PolarHBondContact O-N 3.5Å; S108-M111 PolarHBondContact O-N 2.56Å; S108-E112 WeakPolarHBondContact O-CB 3.35Å; S108-E112 PolarHBondContact O-N 3.45Å
109H98.1Very high97.2Very high111 Ų111101.3 Ų101.351%0.51452%0.523SS..Hα-helixtrans-67.3-35.6177.4-75.3-48000112.6T105 A106 E107 E112 K113T105-H109 PolarHBondContact O-CD2 2.77Å; T105-H109 PolarHBondContact O-N 3.06Å; T105-H109 VanDerWaalsContact O-N 3.07Å; A106-H109 PolarHBondContact O-N 3.36Å; E107-H109 VanDerWaalsContact C-N 3.32Å; E107-H109 PolarHBondContact O-N 3.17Å; H109-E112 IonicContact ND1-OE2 3.77Å; H109-K113 WeakPolarHBondContact O-CB 3.48Å; H109-K113 PolarHBondContact O-N 3.18Å; H109-K113 VanDerWaalsContact O-N 3.1Å
110L97.8Very high96.9Very high109 Ų109100 Ų10057%0.57152%0.516SS*.Hα-helixtrans-64.3-47.6173.9-73.6171000111.2A106 E107 E112 K113 E114A106-L110 WeakPolarHBondContact O-CG 3.31Å; A106-L110 PolarHBondContact O-N 3.47Å; E107-L110 PolarHBondContact O-N 2.93Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 3.14Å; L110-K113 PolarHBondContact O-N 3.09Å; L110-E114 WeakPolarHBondContact O-CG 3.49Å; L110-E114 PolarHBondContact O-N 3.45Å
111M97Very high96.4Very high122 Ų122100.9 Ų100.960%0.60152%0.519SS*.Hα-helixtrans-61.7-41.1177.4-69.7-176.1-174.100112.3E107 S108 K113 E114 L115E107-M111 WeakPolarHBondContact O-CG 3.27Å; E107-M111 PolarHBondContact O-N 2.91Å; S108-M111 PolarHBondContact O-N 2.56Å; M111-K113 VanDerWaalsContact C-N 3.34Å; M111-K113 PolarHBondContact O-N 3.27Å; M111-E114 PolarHBondContact O-N 2.93Å; M111-L115 WeakPolarHBondContact O-CB 3.2Å; M111-L115 PolarHBondContact O-N 3.38Å
112E97.1Very high95.8Very high111 Ų11199.6 Ų99.652%0.51952%0.519SS..Hα-helixtrans-60.4-44.9176.9-174.6171.9-154.200111.2S108 H109 L110 L115 E116S108-E112 WeakPolarHBondContact O-CB 3.35Å; S108-E112 PolarHBondContact O-N 3.45Å; H109-E112 IonicContact ND1-OE2 3.77Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 3.14Å; E112-L115 PolarHBondContact O-N 2.57Å; E112-E116 WeakPolarHBondContact O-CG 3.12Å; E112-E116 PolarHBondContact O-N 3.26Å
113K97Very high95Very high122 Ų122103.9 Ų103.953%0.5352%0.524SS..Hα-helixtrans-62.8-45.8176.8-173.6-175.8175.5-169.50112.5H109 L110 M111 L115 E116 E117H109-K113 WeakPolarHBondContact O-CB 3.48Å; H109-K113 PolarHBondContact O-N 3.18Å; H109-K113 VanDerWaalsContact O-N 3.1Å; L110-K113 PolarHBondContact O-N 3.09Å; M111-K113 VanDerWaalsContact C-N 3.34Å; M111-K113 PolarHBondContact O-N 3.27Å; K113-L115 VanDerWaalsContact C-N 3.28Å; K113-L115 PolarHBondContact O-N 3.05Å; K113-E116 PolarHBondContact O-N 3.37Å; K113-E117 VanDerWaalsContact CE-OE1 3.26Å; K113-E117 WeakPolarHBondContact CE-OE1 3.38Å; K113-E117 WeakPolarHBondContact O-CG 3.5Å; K113-E117 PolarHBondContact O-N 3.11Å
114E96.4Very high94.1Very high119 Ų119108.4 Ų108.456%0.55654%0.536SS*.Hα-helixtrans-59.5-40.4176.8-72.6-179.8175.300111.7L110 M111 E117 L118L110-E114 WeakPolarHBondContact O-CG 3.49Å; L110-E114 PolarHBondContact O-N 3.45Å; M111-E114 PolarHBondContact O-N 2.93Å; E114-E117 PolarHBondContact O-N 2.81Å; E114-L118 WeakPolarHBondContact O-CG 3.31Å; E114-L118 PolarHBondContact O-N 3.18Å
115L96.1Very high92.9Very high118 Ų118115.3 Ų115.362%0.61855%0.553SS**Hα-helixtrans-66.2-40.9178-161.4152.6000111.6M111 E112 K113 L118 K119M111-L115 WeakPolarHBondContact O-CB 3.2Å; M111-L115 PolarHBondContact O-N 3.38Å; E112-L115 PolarHBondContact O-N 2.57Å; K113-L115 VanDerWaalsContact C-N 3.28Å; K113-L115 PolarHBondContact O-N 3.05Å; L115-L118 PolarHBondContact O-N 2.9Å; L115-K119 WeakPolarHBondContact O-CB 3.5Å; L115-K119 PolarHBondContact O-N 3.22Å
116E95.4Very high90.8Very high113 Ų113123.5 Ų123.553%0.52858%0.582SS.*Hα-helixtrans-61.6-44.5172.5-74.3-167.6160.600112.3E112 K113 K119 N120E112-E116 WeakPolarHBondContact O-CG 3.12Å; E112-E116 PolarHBondContact O-N 3.26Å; K113-E116 PolarHBondContact O-N 3.37Å; E116-K119 PolarHBondContact O-N 2.86Å; E116-N120 WeakPolarHBondContact O-CB 3.17Å; E116-N120 PolarHBondContact O-N 3.11Å; E116-N120 PolarHBondContact O-ND2 3.24Å
117E95.1Very high90.4Very high95 Ų95127.1 Ų127.144%0.44459%0.59SS.*Hα-helixtrans-61.3-45.2177.5-73.7-179.1-172.400111.6K113 E114 K119 N120 H121K113-E117 VanDerWaalsContact CE-OE1 3.26Å; K113-E117 WeakPolarHBondContact CE-OE1 3.38Å; K113-E117 WeakPolarHBondContact O-CG 3.5Å; K113-E117 PolarHBondContact O-N 3.11Å; E114-E117 PolarHBondContact O-N 2.81Å; E117-K119 PolarHBondContact O-N 3.17Å; E117-N120 PolarHBondContact O-N 3.47Å; E117-H121 PolarHBondContact O-N 2.92Å; E117-H121 PolarHBondContact O-ND1 3.41Å
118L94Very high90Very high126 Ų126128.6 Ų128.666%0.6660%0.597SS**Hα-helixtrans-61.9-42.8176-73.7171.4000112.1E114 L115 N120 H121 S122E114-L118 WeakPolarHBondContact O-CG 3.31Å; E114-L118 PolarHBondContact O-N 3.18Å; L115-L118 PolarHBondContact O-N 2.9Å; L118-N120 VanDerWaalsContact C-N 3.32Å; L118-N120 PolarHBondContact O-N 3.16Å; L118-H121 PolarHBondContact O-N 3.24Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 3.09Å
119K92.9Very high89.6Confident114 Ų114131.9 Ų131.950%0.49660%0.603SS.*Hα-helixtrans-62.5-40.2176.8-173.4177.6-179.1179.40111.5L115 E116 E117 S122 R123L115-K119 WeakPolarHBondContact O-CB 3.5Å; L115-K119 PolarHBondContact O-N 3.22Å; E116-K119 PolarHBondContact O-N 2.86Å; E117-K119 PolarHBondContact O-N 3.17Å; K119-S122 PolarHBondContact O-N 3.25Å; K119-R123 WeakPolarHBondContact O-CG 3.28Å; K119-R123 PolarHBondContact O-N 2.8Å
120N92.2Very high89.1Confident80 Ų80133.1 Ų133.143%0.42861%0.608SS.*Hα-helixtrans-67.9-40.2176.9-70.8-26.1000112.1E116 E117 L118 R123 R124E116-N120 WeakPolarHBondContact O-CB 3.17Å; E116-N120 PolarHBondContact O-N 3.11Å; E116-N120 PolarHBondContact O-ND2 3.24Å; E117-N120 PolarHBondContact O-N 3.47Å; L118-N120 VanDerWaalsContact C-N 3.32Å; L118-N120 PolarHBondContact O-N 3.16Å; N120-R123 PolarHBondContact O-N 2.8Å; N120-R124 PolarHBondContact O-N 3.45Å; N120-R124 VanDerWaalsContact O-N 3.11Å
121H89.4Confident88.6Confident107 Ų107134.6 Ų134.650%0.49561%0.611SS.*Hα-helixtrans-64.1-42.5174-7987000112.6E117 L118 R124 R125E117-H121 PolarHBondContact O-N 2.92Å; E117-H121 PolarHBondContact O-ND1 3.41Å; L118-H121 PolarHBondContact O-N 3.24Å; H121-R124 PolarHBondContact O-N 3.2Å; H121-R125 PolarHBondContact O-N 2.95Å
122S85.2Confident88Confident80 Ų80135.5 Ų135.556%0.55961%0.611SS**Hα-helixtrans-62-42.5176.2179.60000112.1L118 K119 R124 R125L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 3.09Å; K119-S122 PolarHBondContact O-N 3.25Å; S122-R124 VanDerWaalsContact C-N 3.35Å; S122-R124 PolarHBondContact O-N 2.87Å; S122-R125 PolarHBondContact O-N 3.09Å
123R82.8Confident87.4Confident161 Ų161137.2 Ų137.261%0.60862%0.618SS**Hα-helixtrans-63.3-36175.4-77175172.7177.8-5.9113.5K119 N120 R125K119-R123 WeakPolarHBondContact O-CG 3.28Å; K119-R123 PolarHBondContact O-N 2.8Å; N120-R123 PolarHBondContact O-N 2.8Å; R123-R125 VanDerWaalsContact C-N 3.31Å
124R79Confident86.6Confident213 Ų213138.4 Ų138.480%0.80463%0.625SS**Hα-helixtrans-73-19.3178.2-78.8179.7166.8172-3114.2N120 H121 S122N120-R124 PolarHBondContact O-N 3.45Å; N120-R124 VanDerWaalsContact O-N 3.11Å; H121-R124 PolarHBondContact O-N 3.2Å; S122-R124 VanDerWaalsContact C-N 3.35Å; S122-R124 PolarHBondContact O-N 2.87Å
125R72.6Confident85.8Confident229 Ų229140 Ų14086%0.86463%0.63SS**THydrogen-bonded Turntrans-93-7.7-179.3-74-171.2173.6-172-0.1114.1H121 S122 R123H121-R125 PolarHBondContact O-N 2.95Å; S122-R125 PolarHBondContact O-N 3.09Å; R123-R125 VanDerWaalsContact C-N 3.31Å
126K54.9Low84.9Confident244 Ų244142 Ų142100%1.06163%0.631SS**  trans-94.90170.3-100-176.9174.4-178.90110

Retrieved 126 of 126 residues in 172.4 ms (Link to these results)