A0A087XCH7_POEFO Loading...

CART prepropeptide

AlphaFold DB , UniProt , Accession A0A087XCH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 111 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
1S55.6Low70.2Confident134 Ų13497.7 Ų97.794%0.93758%0.582SS**  0-25.20-55.20000115.4T4S1-T4 PolarHBondContact O-OG1 3.12Å
2V60.1Low71.7Confident105 Ų105100 Ų10064%0.63659%0.588SS**Hα-helixtrans-70.9-41.5179.9-179.60000112.4T4 M5 V6V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.18Å; V2-M5 PolarHBondContact O-N 3.49Å; V2-V6 WeakPolarHBondContact O-CG2 3.15Å; V2-V6 PolarHBondContact O-N 2.04Å
3S58.3Low72.9Confident90 Ų90100.7 Ų100.763%0.62959%0.587SS**Hα-helixtrans-65.4-29.5-178-34.50000113.9N7S3-N7 PolarHBondContact O-N 3.44Å
4T63.3Low73.9Confident97 Ų9797.6 Ų97.660%0.59557%0.574SS**Hα-helixtrans-76.5-33.3178.151.20000112.1S1 V2 A8S1-T4 PolarHBondContact O-OG1 3.12Å; V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.18Å; T4-A8 WeakPolarHBondContact O-CB 3.4Å; T4-A8 PolarHBondContact O-N 3.24Å; T4-A8 VanDerWaalsContact O-N 3.12Å
5M61.5Low74.9Confident116 Ų11694.9 Ų94.957%0.57157%0.567SS**Hα-helixtrans-68.1-42173.4-76.6-172.4-66.200111.6V2 N7 A8 T9V2-M5 PolarHBondContact O-N 3.49Å; M5-N7 PolarHBondContact O-N 2.03Å; M5-A8 PolarHBondContact O-N 2.83Å; M5-T9 WeakPolarHBondContact O-CG2 3.04Å; M5-T9 PolarHBondContact O-N 2.94Å; M5-T9 PolarHBondContact O-OG1 2.02Å; M5-T9 VanDerWaalsContact O-OG1 3.13Å
6V69.8Low75.6Confident68 Ų6892.3 Ų92.341%0.41256%0.555SS.*Hα-helixtrans-62.2-43177.9175.20000111.2V2 T9 M10V2-V6 WeakPolarHBondContact O-CG2 3.15Å; V2-V6 PolarHBondContact O-N 2.04Å; V6-T9 WeakPolarHBondContact CA-OG1 3.13Å; V6-T9 PolarHBondContact O-N 2.83Å; V6-T9 PolarHBondContact O-OG1 3.43Å; V6-M10 WeakPolarHBondContact O-CG 3.17Å; V6-M10 PolarHBondContact O-N 3.47Å
7N72.6Confident76.1Confident107 Ų10791 Ų9157%0.57255%0.55SS**Hα-helixtrans-65.2-40.8176.7-73.52.1000112.3S3 M5 M10 L11S3-N7 PolarHBondContact O-N 3.44Å; M5-N7 PolarHBondContact O-N 2.03Å; N7-M10 PolarHBondContact O-N 2.74Å; N7-L11 VanDerWaalsContact O-CG 3.29Å; N7-L11 WeakPolarHBondContact O-CG 3.03Å; N7-L11 PolarHBondContact O-N 3.37Å; N7-L11 VanDerWaalsContact O-N 3.07Å
8A81.1Confident76.6Confident50 Ų5097.6 Ų97.641%0.41356%0.564SS.*Hα-helixtrans-63.6-42.2175.900000111.9T4 M5 M10 L11 L12T4-A8 WeakPolarHBondContact O-CB 3.4Å; T4-A8 PolarHBondContact O-N 3.24Å; T4-A8 VanDerWaalsContact O-N 3.12Å; M5-A8 PolarHBondContact O-N 2.83Å; A8-M10 PolarHBondContact O-N 3.25Å; A8-L11 PolarHBondContact O-N 2.86Å; A8-L12 WeakPolarHBondContact O-CG 3.45Å; A8-L12 PolarHBondContact O-N 2.97Å
9T79.8Confident77Confident71 Ų7198.3 Ų98.344%0.43657%0.565SS.*Hα-helixtrans-64.7-39.7176.449.90000112.4M5 V6 L11 L12 L13M5-T9 WeakPolarHBondContact O-CG2 3.04Å; M5-T9 PolarHBondContact O-N 2.94Å; M5-T9 PolarHBondContact O-OG1 2.02Å; M5-T9 VanDerWaalsContact O-OG1 3.13Å; V6-T9 WeakPolarHBondContact CA-OG1 3.13Å; V6-T9 PolarHBondContact O-N 2.83Å; V6-T9 PolarHBondContact O-OG1 3.43Å; T9-L11 VanDerWaalsContact C-N 3.33Å; T9-L11 PolarHBondContact O-N 2.94Å; T9-L12 PolarHBondContact O-N 2.94Å; T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 3.41Å; T9-L13 PolarHBondContact O-N 3.39Å
10M84Confident77.1Confident119 Ų11999.5 Ų99.559%0.58657%0.568SS**Hα-helixtrans-65-37.4177.2-73.4-64.3179.400112.3V6 N7 A8 L13 S14V6-M10 WeakPolarHBondContact O-CG 3.17Å; V6-M10 PolarHBondContact O-N 3.47Å; N7-M10 PolarHBondContact O-N 2.74Å; A8-M10 PolarHBondContact O-N 3.25Å; M10-L13 PolarHBondContact O-N 3.04Å; M10-S14 PolarHBondContact O-N 3.2Å; M10-S14 PolarHBondContact O-OG 3.47Å
11L86.2Confident77.3Confident118 Ų11899.2 Ų99.262%0.61857%0.568SS**Hα-helixtrans-68.9-36.2176-69.3171.2000112.7N7 A8 T9 S14 A15N7-L11 VanDerWaalsContact O-CG 3.29Å; N7-L11 WeakPolarHBondContact O-CG 3.03Å; N7-L11 PolarHBondContact O-N 3.37Å; N7-L11 VanDerWaalsContact O-N 3.07Å; A8-L11 PolarHBondContact O-N 2.86Å; T9-L11 VanDerWaalsContact C-N 3.33Å; T9-L11 PolarHBondContact O-N 2.94Å; L11-S14 PolarHBondContact O-OG 2.85Å; L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.02Å; L11-A15 PolarHBondContact O-N 2.61Å
12L88.4Confident78.3Confident125 Ų12595.2 Ų95.265%0.65454%0.544SS*.Hα-helixtrans-68.9-38.3174.9-70.2170000111.8A8 T9 S16A8-L12 WeakPolarHBondContact O-CG 3.45Å; A8-L12 PolarHBondContact O-N 2.97Å; T9-L12 PolarHBondContact O-N 2.94Å; L12-S16 WeakPolarHBondContact O-CB 3.48Å; L12-S16 PolarHBondContact O-N 2.77Å; L12-S16 PolarHBondContact O-OG 2.89Å
13L87.5Confident78.7Confident109 Ų10995.1 Ų95.157%0.57154%0.539SS*.Hα-helixtrans-67.6-40.2175.7-70174.7000111.8T9 M10 S16 C17T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 3.41Å; T9-L13 PolarHBondContact O-N 3.39Å; M10-L13 PolarHBondContact O-N 3.04Å; L13-S16 WeakPolarHBondContact CA-OG 2.97Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-C17 WeakPolarHBondContact O-CB 3.29Å; L13-C17 PolarHBondContact O-N 3.14Å
14S86.8Confident79.2Confident57 Ų5793 Ų9340%0.39953%0.532SS..Hα-helixtrans-68.3-42.1176.4670000112.1M10 L11 C17 W18M10-S14 PolarHBondContact O-N 3.2Å; M10-S14 PolarHBondContact O-OG 3.47Å; L11-S14 PolarHBondContact O-OG 2.85Å; S14-C17 PolarHBondContact O-N 3.43Å; S14-W18 WeakPolarHBondContact O-CB 3.32Å; S14-W18 VanDerWaalsContact O-CD1 3.24Å; S14-W18 PolarHBondContact O-N 3.38Å
15A88.4Confident78.9Confident58 Ų5892.4 Ų92.448%0.47953%0.531SS..Hα-helixtrans-64.5-42.517700000112.2L11 W18 L19L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.02Å; L11-A15 PolarHBondContact O-N 2.61Å; A15-W18 PolarHBondContact O-N 2.9Å; A15-L19 WeakPolarHBondContact O-CB 3.06Å; A15-L19 PolarHBondContact O-N 3.09Å
16S86.9Confident78.4Confident53 Ų5390 Ų9037%0.37153%0.525SS..Hα-helixtrans-66.9-40175.2550000112.2L12 L13 L19 L20L12-S16 WeakPolarHBondContact O-CB 3.48Å; L12-S16 PolarHBondContact O-N 2.77Å; L12-S16 PolarHBondContact O-OG 2.89Å; L13-S16 WeakPolarHBondContact CA-OG 2.97Å; L13-S16 PolarHBondContact O-OG 3.36Å; S16-L19 PolarHBondContact O-N 3.28Å; S16-L20 WeakPolarHBondContact O-CB 3.18Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.28Å; S16-L20 PolarHBondContact O-N 3.41Å
17C83.9Confident77.5Confident70 Ų7092.8 Ų92.847%0.47354%0.538SS..Hα-helixtrans-63.8-42.6175-168.20000111.8L13 S14 L19 L20 V21L13-C17 WeakPolarHBondContact O-CB 3.29Å; L13-C17 PolarHBondContact O-N 3.14Å; S14-C17 PolarHBondContact O-N 3.43Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.16Å; C17-L20 PolarHBondContact O-N 3.07Å; C17-V21 WeakPolarHBondContact O-CG2 3.49Å; C17-V21 PolarHBondContact O-N 3.42Å
18W84.9Confident76.2Confident210 Ų21096.7 Ų96.780%0.79555%0.553SS**Hα-helixtrans-61.3-41.8172.6-88.652000112.3S14 A15 V21 A22S14-W18 WeakPolarHBondContact O-CB 3.32Å; S14-W18 VanDerWaalsContact O-CD1 3.24Å; S14-W18 PolarHBondContact O-N 3.38Å; A15-W18 PolarHBondContact O-N 2.9Å; W18-V21 PolarHBondContact O-N 2.91Å; W18-A22 WeakPolarHBondContact O-CB 3.33Å; W18-A22 PolarHBondContact O-N 3.39Å
19L83.6Confident74.4Confident111 Ų111105 Ų10558%0.58157%0.573SS**Hα-helixtrans-65.3-39.5177.1-167.171.5000111.6A15 S16 C17 A22 L23A15-L19 WeakPolarHBondContact O-CB 3.06Å; A15-L19 PolarHBondContact O-N 3.09Å; S16-L19 PolarHBondContact O-N 3.28Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.16Å; L19-A22 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD2-CD1 4.36Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.85Å
20L80.1Confident72.7Confident121 Ų121108.1 Ų108.163%0.63459%0.586SS**Hα-helixtrans-65.4-40.4175.3-73.2168.8000112.2S16 C17 G24S16-L20 WeakPolarHBondContact O-CB 3.18Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.28Å; S16-L20 PolarHBondContact O-N 3.41Å; C17-L20 PolarHBondContact O-N 3.07Å; L20-G24 PolarHBondContact O-N 3.33Å
21V80.1Confident70.6Confident94 Ų94110.3 Ų110.357%0.5760%0.595SS**Hα-helixtrans-67.4-41.2175.5172.40000111C17 W18 S25C17-V21 WeakPolarHBondContact O-CG2 3.49Å; C17-V21 PolarHBondContact O-N 3.42Å; W18-V21 PolarHBondContact O-N 2.91Å; V21-S25 WeakPolarHBondContact O-CB 3.46Å; V21-S25 PolarHBondContact O-N 3.49Å; V21-S25 PolarHBondContact O-OG 3.1Å
22A76.6Confident68.6Low51 Ų51113.1 Ų113.142%0.42161%0.605SS.*Hα-helixtrans-66.9-43.1176.500000112W18 L19 S25 C26W18-A22 WeakPolarHBondContact O-CB 3.33Å; W18-A22 PolarHBondContact O-N 3.39Å; L19-A22 PolarHBondContact O-N 2.79Å; A22-S25 PolarHBondContact O-N 3.25Å; A22-C26 WeakPolarHBondContact O-CB 3.4Å; A22-C26 PolarHBondContact O-N 3.41Å; A22-C26 PolarHBondContact O-SG 2.94Å; A22-C26 VanDerWaalsContact O-SG 3.33Å
23L70.1Confident66.6Low102 Ų102117.3 Ų117.353%0.53461%0.613SS.*Hα-helixtrans-65.8-43.1175-80.5161.4000111.5L19 S25 C26 D27L19-L23 HydrophobicContact CD2-CD1 4.36Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.85Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.4Å; L23-C26 CarbonylContact O-C 3.42Å; L23-C26 WeakPolarHBondContact O-CA 3.41Å; L23-C26 PolarHBondContact O-N 3.39Å; L23-D27 WeakPolarHBondContact O-CB 3.38Å; L23-D27 PolarHBondContact O-N 3.3Å
24G67.1Low64.5Low47 Ų47115 Ų11549%0.48561%0.605SS.*Hα-helixtrans-65-30.9175.600000113.2L20L20-G24 PolarHBondContact O-N 3.33Å
25S57.8Low62.8Low83 Ų83115.5 Ų115.558%0.5861%0.607SS**Hα-helixtrans-76-25.5172.4-55.90000112.5V21 A22 L23V21-S25 WeakPolarHBondContact O-CB 3.46Å; V21-S25 PolarHBondContact O-N 3.49Å; V21-S25 PolarHBondContact O-OG 3.1Å; A22-S25 PolarHBondContact O-N 3.25Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.4Å
26C51.1Low61Low66 Ų66119 Ų11945%0.44661%0.613SS.*Hα-helixtrans-86-21.8172.8-74.60000112.8A22 L23 E28 R29 L30A22-C26 WeakPolarHBondContact O-CB 3.4Å; A22-C26 PolarHBondContact O-N 3.41Å; A22-C26 PolarHBondContact O-SG 2.94Å; A22-C26 VanDerWaalsContact O-SG 3.33Å; L23-C26 CarbonylContact O-C 3.42Å; L23-C26 WeakPolarHBondContact O-CA 3.41Å; L23-C26 PolarHBondContact O-N 3.39Å; C26-E28 VanDerWaalsContact C-N 3.27Å; C26-R29 CarbonylContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-CA 3.27Å; C26-R29 WeakPolarHBondContact O-CA 3.39Å; C26-R29 WeakPolarHBondContact O-CB 3.13Å; C26-R29 PolarHBondContact O-N 2.87Å; C26-L30 WeakPolarHBondContact O-CB 3.5Å; C26-L30 PolarHBondContact O-N 3.01Å
27D49.7Very low59.3Low127 Ų127123.1 Ų123.168%0.67962%0.622SS**Hα-helixtrans-64.9-35175.4-156.3-108000110.2L23 R29 L30L23-D27 WeakPolarHBondContact O-CB 3.38Å; L23-D27 PolarHBondContact O-N 3.3Å; D27-R29 PolarHBondContact O-N 2.83Å; D27-R29 VanDerWaalsContact O-N 3.09Å; D27-L30 PolarHBondContact O-N 3.25Å
28E46.9Very low57.9Low188 Ų188124.4 Ų124.488%0.87962%0.624SS**THydrogen-bonded Turntrans-68.4-4168.3-150.7177.89800113.3C26C26-E28 VanDerWaalsContact C-N 3.27Å
29R43.3Very low56.6Low225 Ų225118 Ų11885%0.84961%0.608SS**THydrogen-bonded Turntrans-126.7-1.9-177.8-131.1-176.8172.2-122.8-5114.3C26 D27C26-R29 CarbonylContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-CA 3.27Å; C26-R29 WeakPolarHBondContact O-CA 3.39Å; C26-R29 WeakPolarHBondContact O-CB 3.13Å; C26-R29 PolarHBondContact O-N 2.87Å; D27-R29 PolarHBondContact O-N 2.83Å; D27-R29 VanDerWaalsContact O-N 3.09Å
30L44.2Very low55.5Low136 Ų136117.4 Ų117.471%0.71261%0.605SS**  trans-11526.3177-100.5174.7000111.6C26 D27 E32C26-L30 WeakPolarHBondContact O-CB 3.5Å; C26-L30 PolarHBondContact O-N 3.01Å; D27-L30 PolarHBondContact O-N 3.25Å; L30-E32 PolarHBondContact O-N 2.92Å
31E39.3Very low54.8Low166 Ų166116 Ų11678%0.77659%0.594SS**SBendtrans-65.594.3139.8-100.6-161.198.300106.8R33E31-R33 PolarHBondContact O-N 3.42Å
32E44.1Very low54.3Low176 Ų176115.4 Ų115.482%0.82259%0.59SS**  trans-36.5101.7159.5-170173.6124.300109.7L30 S34L30-E32 PolarHBondContact O-N 2.92Å; E32-S34 PolarHBondContact O-N 2.91Å
33R46.4Very low54.2Low214 Ų214118.5 Ų118.581%0.80860%0.596SS**  trans-31.796.8160.9-174.3-173.7-171.6117.11111.4E31E31-R33 PolarHBondContact O-N 3.42Å
34S42.4Very low54.6Low60 Ų60119.2 Ų119.242%0.4260%0.596SS.*  trans-95.6103.1144.9-175.30000106.8E32 E36 Y37E32-S34 PolarHBondContact O-N 2.91Å; S34-E36 PolarHBondContact O-N 3.19Å; S34-E36 VanDerWaalsContact O-N 3.13Å; S34-Y37 PolarHBondContact O-N 3.41Å
35P51Low55.2Low68 Ų68121.6 Ų121.644%0.44260%0.595SS.*Hα-helixtrans-61.8-19.217927.2-31.3000111.8V39P35-V39 WeakPolarHBondContact O-CB 3.46Å; P35-V39 WeakPolarHBondContact O-CG2 3.26Å; P35-V39 PolarHBondContact O-N 2.94Å
36E50.7Low56.5Low130 Ų130124.4 Ų124.461%0.60760%0.597SS**Hα-helixtrans-69.5-35.2171.5-84.6116.4124.900113.6S34 I40S34-E36 PolarHBondContact O-N 3.19Å; S34-E36 VanDerWaalsContact O-N 3.13Å; E36-I40 WeakPolarHBondContact O-CB 3.34Å; E36-I40 VanDerWaalsContact O-CD1 3.23Å; E36-I40 WeakPolarHBondContact O-CD1 3.05Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.2Å
37Y51.9Low58.2Low140 Ų140127.9 Ų127.955%0.54961%0.606SS.*Hα-helixtrans-73.4-41.9-178.3178.6-107.7000112.5S34 V39 I40 K41S34-Y37 PolarHBondContact O-N 3.41Å; Y37-V39 VanDerWaalsContact C-N 3.33Å; Y37-V39 PolarHBondContact O-N 2.95Å; Y37-I40 PolarHBondContact O-N 3.37Å; Y37-K41 VanDerWaalsContact O-CB 3.26Å; Y37-K41 WeakPolarHBondContact O-CB 3.45Å; Y37-K41 PolarHBondContact O-N 3.32Å
38D54.2Low60.1Low97 Ų97126.4 Ų126.452%0.51960%0.598SS.*Hα-helixtrans-65.6-36.6174.5-80.3-45.4000111.9T42D38-T42 WeakPolarHBondContact O-CB 3.48Å; D38-T42 PolarHBondContact O-N 3.45Å; D38-T42 PolarHBondContact O-OG1 3.36Å
39V58.7Low62.3Low75 Ų75122 Ų12246%0.45558%0.579SS.*Hα-helixtrans-67.8-44.9175.7171.20000111P35 Y37 T42 E43P35-V39 WeakPolarHBondContact O-CB 3.46Å; P35-V39 WeakPolarHBondContact O-CG2 3.26Å; P35-V39 PolarHBondContact O-N 2.94Å; Y37-V39 VanDerWaalsContact C-N 3.33Å; Y37-V39 PolarHBondContact O-N 2.95Å; V39-T42 WeakPolarHBondContact CA-OG1 3.12Å; V39-T42 PolarHBondContact O-N 3.37Å; V39-T42 PolarHBondContact O-OG1 3.44Å; V39-T42 VanDerWaalsContact O-OG1 3.05Å; V39-E43 WeakPolarHBondContact O-CB 3.38Å; V39-E43 WeakPolarHBondContact O-CG 3.25Å; V39-E43 PolarHBondContact O-N 2.91Å
40I60.3Low64.6Low100 Ų100117.1 Ų117.151%0.51357%0.566SS.*Hα-helixtrans-65.1-41.9177.7-67.2162000111E36 Y37 E43 E44E36-I40 WeakPolarHBondContact O-CB 3.34Å; E36-I40 VanDerWaalsContact O-CD1 3.23Å; E36-I40 WeakPolarHBondContact O-CD1 3.05Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.2Å; Y37-I40 PolarHBondContact O-N 3.37Å; I40-E43 PolarHBondContact O-N 2.94Å; I40-E44 WeakPolarHBondContact O-CB 3.36Å; I40-E44 PolarHBondContact O-N 3.38Å
41K64.5Low66.8Low92 Ų92113 Ų11340%0.455%0.552SS.*Hα-helixtrans-64.5-40.4176.3-176.6-179.9174.1-175.20111.9Y37 E44 E45Y37-K41 VanDerWaalsContact O-CB 3.26Å; Y37-K41 WeakPolarHBondContact O-CB 3.45Å; Y37-K41 PolarHBondContact O-N 3.32Å; K41-E44 PolarHBondContact O-N 2.89Å; K41-E45 VanDerWaalsContact CE-OE1 3.29Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 WeakPolarHBondContact O-CB 3.45Å; K41-E45 VanDerWaalsContact O-CG 3.26Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 3.32Å
42T70.8Confident69.3Low80 Ų80110.3 Ų110.349%0.49154%0.542SS..Hα-helixtrans-71.4-30.5175.839.90000112.9D38 V39 K46D38-T42 WeakPolarHBondContact O-CB 3.48Å; D38-T42 PolarHBondContact O-N 3.45Å; D38-T42 PolarHBondContact O-OG1 3.36Å; V39-T42 WeakPolarHBondContact CA-OG1 3.12Å; V39-T42 PolarHBondContact O-N 3.37Å; V39-T42 PolarHBondContact O-OG1 3.44Å; V39-T42 VanDerWaalsContact O-OG1 3.05Å; T42-K46 WeakPolarHBondContact O-CB 3.41Å; T42-K46 PolarHBondContact O-N 2.9Å
43E74.6Confident71.5Confident116 Ų116107.6 Ų107.654%0.54253%0.529SS..Hα-helixtrans-66.7-47.9170.8-77.3-178.716500111.3V39 I40 K46 E47V39-E43 WeakPolarHBondContact O-CB 3.38Å; V39-E43 WeakPolarHBondContact O-CG 3.25Å; V39-E43 PolarHBondContact O-N 2.91Å; I40-E43 PolarHBondContact O-N 2.94Å; E43-K46 WeakPolarHBondContact O-CB 3.43Å; E43-K46 PolarHBondContact O-N 3.5Å; E43-E47 WeakPolarHBondContact O-CG 3.33Å; E43-E47 PolarHBondContact O-N 3.34Å
44E77.8Confident73.5Confident117 Ų117102.3 Ų102.355%0.54751%0.514SS..Hα-helixtrans-59.6-49.5175.9-175-179170.900111.2I40 K41 K46 E47 L48I40-E44 WeakPolarHBondContact O-CB 3.36Å; I40-E44 PolarHBondContact O-N 3.38Å; K41-E44 PolarHBondContact O-N 2.89Å; E44-K46 PolarHBondContact O-N 3.31Å; E44-E47 PolarHBondContact O-N 3.05Å; E44-E47 VanDerWaalsContact O-N 3.16Å; E44-L48 HydrophobicContact CG-CD1 3.65Å; E44-L48 WeakPolarHBondContact O-CD1 3.35Å; E44-L48 PolarHBondContact O-N 2.83Å
45E78.8Confident75.7Confident98 Ų98103.3 Ų103.346%0.45852%0.518SS..Hα-helixtrans-58.2-38.2176.8-75.3177.9-17900112.2K41 L48 I49K41-E45 VanDerWaalsContact CE-OE1 3.29Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 WeakPolarHBondContact O-CB 3.45Å; K41-E45 VanDerWaalsContact O-CG 3.26Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 3.32Å; E45-L48 PolarHBondContact O-N 2.92Å; E45-I49 WeakPolarHBondContact O-CD1 3.25Å; E45-I49 WeakPolarHBondContact O-CG1 3.46Å; E45-I49 PolarHBondContact O-N 3.26Å
46K85.5Confident77.3Confident142 Ų142105.4 Ų105.462%0.61752%0.524SS*.Hα-helixtrans-67.8-42.5177.2-174.9-175.7172.3-164.50111.8T42 E43 E44 L48 I49 E50T42-K46 WeakPolarHBondContact O-CB 3.41Å; T42-K46 PolarHBondContact O-N 2.9Å; E43-K46 WeakPolarHBondContact O-CB 3.43Å; E43-K46 PolarHBondContact O-N 3.5Å; E44-K46 PolarHBondContact O-N 3.31Å; K46-L48 VanDerWaalsContact C-N 3.34Å; K46-I49 PolarHBondContact O-N 3.2Å; K46-E50 WeakPolarHBondContact O-CB 3.34Å; K46-E50 PolarHBondContact O-N 2.87Å
47E87.2Confident78.9Confident139 Ų139105.2 Ų105.265%0.6552%0.523SS*.Hα-helixtrans-61.4-41.9174.9-72.8-175173.700111.6E43 E44 E50 A51E43-E47 WeakPolarHBondContact O-CG 3.33Å; E43-E47 PolarHBondContact O-N 3.34Å; E44-E47 PolarHBondContact O-N 3.05Å; E44-E47 VanDerWaalsContact O-N 3.16Å; E47-E50 PolarHBondContact O-N 3.16Å; E47-A51 WeakPolarHBondContact O-CB 3.07Å; E47-A51 PolarHBondContact O-N 3.3Å
48L90.6Very high80.2Confident96 Ų96104 Ų10450%0.50352%0.521SS..Hα-helixtrans-63.3-43.5175.3-86.198000112.1E44 E45 K46 E50 A51 L52E44-L48 HydrophobicContact CG-CD1 3.65Å; E44-L48 WeakPolarHBondContact O-CD1 3.35Å; E44-L48 PolarHBondContact O-N 2.83Å; E45-L48 PolarHBondContact O-N 2.92Å; K46-L48 VanDerWaalsContact C-N 3.34Å; L48-E50 VanDerWaalsContact C-N 3.32Å; L48-A51 PolarHBondContact O-N 3.46Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 WeakPolarHBondContact O-CD1 3.4Å; L48-L52 PolarHBondContact O-N 3.13Å
49I91.3Very high81.1Confident94 Ų94103 Ų10348%0.48252%0.515SS..Hα-helixtrans-63.3-41.3177.8-69.4163.6000110.5E45 K46 L52 Q53E45-I49 WeakPolarHBondContact O-CD1 3.25Å; E45-I49 WeakPolarHBondContact O-CG1 3.46Å; E45-I49 PolarHBondContact O-N 3.26Å; K46-I49 PolarHBondContact O-N 3.2Å; I49-L52 WeakPolarHBondContact O-CB 3.49Å; I49-L52 PolarHBondContact O-N 2.94Å; I49-Q53 WeakPolarHBondContact O-CG 3.5Å; I49-Q53 PolarHBondContact O-N 3.05Å
50E91.8Very high81.6Confident123 Ų123106.9 Ų106.958%0.57553%0.526SS*.Hα-helixtrans-65.3-44.1177.7-169.3166.5-176.200111.5K46 E47 L48 L52 Q53 E54K46-E50 WeakPolarHBondContact O-CB 3.34Å; K46-E50 PolarHBondContact O-N 2.87Å; E47-E50 PolarHBondContact O-N 3.16Å; L48-E50 VanDerWaalsContact C-N 3.32Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-Q53 PolarHBondContact O-N 2.97Å; E50-E54 PolarHBondContact O-N 3Å
51A90.8Very high81.8Confident51 Ų51108.6 Ų108.642%0.42154%0.536SS..Hα-helixtrans-61.1-40.6174.300000112.4E47 L48 E54 V55E47-A51 WeakPolarHBondContact O-CB 3.07Å; E47-A51 PolarHBondContact O-N 3.3Å; L48-A51 PolarHBondContact O-N 3.46Å; A51-E54 PolarHBondContact O-N 3.33Å; A51-V55 WeakPolarHBondContact O-CG2 3.38Å; A51-V55 PolarHBondContact O-N 3.04Å; A51-V55 VanDerWaalsContact O-N 3.07Å
52L91.6Very high81.8Confident109 Ų109111.8 Ų111.857%0.57155%0.55SS*.Hα-helixtrans-62.6-43.4174.4-88.7154000111.8L48 I49 E50 V55 L56L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 WeakPolarHBondContact O-CD1 3.4Å; L48-L52 PolarHBondContact O-N 3.13Å; I49-L52 WeakPolarHBondContact O-CB 3.49Å; I49-L52 PolarHBondContact O-N 2.94Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-V55 PolarHBondContact O-N 2.94Å; L52-L56 WeakPolarHBondContact O-CB 3.01Å; L52-L56 WeakPolarHBondContact O-CG 3.34Å; L52-L56 PolarHBondContact O-N 3.42Å
53Q90Very high81.2Confident118 Ų118116 Ų11655%0.55156%0.564SS**Hα-helixtrans-63.7-43.6176.9-75178.910.400111.7I49 E50 V55 L56 E57I49-Q53 WeakPolarHBondContact O-CG 3.5Å; I49-Q53 PolarHBondContact O-N 3.05Å; E50-Q53 PolarHBondContact O-N 2.97Å; Q53-V55 VanDerWaalsContact C-N 3.34Å; Q53-V55 PolarHBondContact O-N 2.89Å; Q53-L56 WeakPolarHBondContact O-CB 3.44Å; Q53-L56 PolarHBondContact O-N 2.91Å; Q53-E57 WeakPolarHBondContact O-CG 3.49Å; Q53-E57 PolarHBondContact O-N 3.43Å
54E88.7Confident80.4Confident104 Ų104115.7 Ų115.749%0.48657%0.566SS.*Hα-helixtrans-60.2-43.6176.7-168.9-168.3164.400111.6E50 A51 E57 K58E50-E54 PolarHBondContact O-N 3Å; A51-E54 PolarHBondContact O-N 3.33Å; E54-E57 PolarHBondContact O-N 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.47Å; E54-K58 WeakPolarHBondContact O-CG 3.2Å; E54-K58 PolarHBondContact O-N 3.49Å; E54-K58 WeakPolarHBondContact OE1-CE 3.23Å; E54-K58 IonicContact OE1-NZ 2.61Å; E54-K58 PolarHBondContact OE1-NZ 2.74Å
55V89.8Confident79.4Confident81 Ų81112 Ų11249%0.49155%0.552SS.*Hα-helixtrans-64.1-43.1176.2172.40000111A51 L52 Q53 E57 K58 L59A51-V55 WeakPolarHBondContact O-CG2 3.38Å; A51-V55 PolarHBondContact O-N 3.04Å; A51-V55 VanDerWaalsContact O-N 3.07Å; L52-V55 PolarHBondContact O-N 2.94Å; Q53-V55 VanDerWaalsContact C-N 3.34Å; Q53-V55 PolarHBondContact O-N 2.89Å; V55-E57 PolarHBondContact O-N 2.62Å; V55-K58 PolarHBondContact O-N 2.85Å; V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.26Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.33Å
56L83.9Confident78.5Confident112 Ų112110.5 Ų110.559%0.58655%0.552SS**Hα-helixtrans-61.5-42.1176.5-79163.4000111.9L52 Q53 L59 K60L52-L56 WeakPolarHBondContact O-CB 3.01Å; L52-L56 WeakPolarHBondContact O-CG 3.34Å; L52-L56 PolarHBondContact O-N 3.42Å; Q53-L56 WeakPolarHBondContact O-CB 3.44Å; Q53-L56 PolarHBondContact O-N 2.91Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-K60 VanDerWaalsContact O-CB 3.25Å; L56-K60 WeakPolarHBondContact O-CB 3.18Å; L56-K60 PolarHBondContact O-N 2.94Å
57E84.1Confident77.1Confident125 Ų125108.4 Ų108.458%0.58456%0.556SS**Hα-helixtrans-66.1-43.6175.4-71.4-148.9143.800112.2Q53 E54 V55 L59 K60 N61Q53-E57 WeakPolarHBondContact O-CG 3.49Å; Q53-E57 PolarHBondContact O-N 3.43Å; E54-E57 PolarHBondContact O-N 3.3Å; V55-E57 PolarHBondContact O-N 2.62Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.83Å; E57-K60 PolarHBondContact O-N 2.84Å; E57-N61 WeakPolarHBondContact O-CB 3.36Å; E57-N61 PolarHBondContact O-N 3.09Å
58K79.8Confident75.5Confident116 Ų116110.5 Ų110.550%0.50457%0.565SS.*Hα-helixtrans-62.5-36.1175.1-75.8-174.1-176.8168.90112.3E54 V55 K62E54-K58 WeakPolarHBondContact O-CB 3.47Å; E54-K58 WeakPolarHBondContact O-CG 3.2Å; E54-K58 PolarHBondContact O-N 3.49Å; E54-K58 WeakPolarHBondContact OE1-CE 3.23Å; E54-K58 IonicContact OE1-NZ 2.61Å; E54-K58 PolarHBondContact OE1-NZ 2.74Å; V55-K58 PolarHBondContact O-N 2.85Å; K58-K62 WeakPolarHBondContact O-CD 3.26Å; K58-K62 VanDerWaalsContact O-CG 3.26Å; K58-K62 WeakPolarHBondContact O-CG 3.07Å; K58-K62 PolarHBondContact O-N 2.87Å
59L73.1Confident73.9Confident75 Ų75112.3 Ų112.339%0.39357%0.569SS.*Hα-helixtrans-74.9-37175.7-72.1174.7000112.6V55 L56 E57 K62 Q63 L64V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.26Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 2.95Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.83Å; L59-K62 CarbonylContact O-C 3.48Å; L59-K62 WeakPolarHBondContact O-CA 3.35Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-K62 VanDerWaalsContact O-N 3.14Å; L59-Q63 PolarHBondContact O-N 3.07Å; L59-L64 HydrophobicContact CB-CD1 4.48Å; L59-L64 HydrophobicContact CD2-CD1 4.14Å
60K69.7Low72.3Confident156 Ų156114.7 Ų114.768%0.67858%0.576SS**Hα-helixtrans-62-43.3173.7176.7-177.5164.3-170.20111.3L56 E57 K62 Q63L56-K60 VanDerWaalsContact O-CB 3.25Å; L56-K60 WeakPolarHBondContact O-CB 3.18Å; L56-K60 PolarHBondContact O-N 2.94Å; E57-K60 PolarHBondContact O-N 2.84Å; K60-K62 PolarHBondContact O-N 2.95Å; K60-Q63 WeakPolarHBondContact O-CA 3.37Å; K60-Q63 PolarHBondContact O-N 3.39Å
61N62.9Low70.7Confident137 Ų137117.4 Ų117.473%0.73359%0.593SS**Hα-helixtrans-68.8-21.1175.3-71.8-19.2000112.8E57 Q63E57-N61 WeakPolarHBondContact O-CB 3.36Å; E57-N61 PolarHBondContact O-N 3.09Å; N61-Q63 VanDerWaalsContact C-N 3.29Å
62K65.1Low69.7Low158 Ų158118.1 Ų118.169%0.68761%0.606SS**THydrogen-bonded Turntrans-89.611.7170.4-70.9172.9-175.6-74.50113.3K58 L59 K60 L64K58-K62 WeakPolarHBondContact O-CD 3.26Å; K58-K62 VanDerWaalsContact O-CG 3.26Å; K58-K62 WeakPolarHBondContact O-CG 3.07Å; K58-K62 PolarHBondContact O-N 2.87Å; L59-K62 CarbonylContact O-C 3.48Å; L59-K62 WeakPolarHBondContact O-CA 3.35Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-K62 VanDerWaalsContact O-N 3.14Å; K60-K62 PolarHBondContact O-N 2.95Å; K62-L64 PolarHBondContact O-N 3.38Å; K62-L64 VanDerWaalsContact O-N 3.1Å
63Q59.5Low68.9Low169 Ų169120.4 Ų120.479%0.7961%0.607SS**THydrogen-bonded Turntrans21.773176.9-164.5166.621.400113.5L59 K60 N61 P65L59-Q63 PolarHBondContact O-N 3.07Å; K60-Q63 WeakPolarHBondContact O-CA 3.37Å; K60-Q63 PolarHBondContact O-N 3.39Å; N61-Q63 VanDerWaalsContact C-N 3.29Å; Q63-P65 WeakPolarHBondContact O-CD 3.39Å
64L57.6Low68.7Low109 Ų109117.4 Ų117.457%0.57160%0.595SS**  trans-59.4122.9168.7-72.4161.3000107.7L59 K62 S66L59-L64 HydrophobicContact CB-CD1 4.48Å; L59-L64 HydrophobicContact CD2-CD1 4.14Å; K62-L64 PolarHBondContact O-N 3.38Å; K62-L64 VanDerWaalsContact O-N 3.1Å; L64-S66 PolarHBondContact O-N 2.91Å
65P56.2Low68.7Low41 Ų41115.6 Ų115.627%0.26659%0.592SS.*  trans-57.6138.2175.722.9-31.1000108.6Q63 S67 K69 W73Q63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-S67 PolarHBondContact O-N 2.73Å; P65-K69 HydrophobicContact CB-CB 4.45Å; P65-W73 HydrophobicContact CG-CG 4.17Å
66S59.5Low68.7Low66 Ų66116.8 Ų116.846%0.46260%0.601SS.*  trans-44.4134.8176.659.30000109.4L64 E68 K69L64-S66 PolarHBondContact O-N 2.91Å; S66-E68 PolarHBondContact O-N 2.87Å; S66-K69 PolarHBondContact O-N 3.3Å
67S55.7Low69Low98 Ų98112.3 Ų112.369%0.68558%0.579SS**G310 helixtrans-49.3-28.1-168.642.40000114.2P65 K69 K70P65-S67 PolarHBondContact O-N 2.73Å; S67-K69 VanDerWaalsContact C-N 3.28Å; S67-K69 PolarHBondContact O-N 3.42Å; S67-K70 PolarHBondContact O-N 3.26Å
68E54.8Low69.1Low182 Ų182110.6 Ų110.685%0.8558%0.577SS**G310 helixtrans-65.4-20175.5-65.5-176.4118.800115.1S66S66-E68 PolarHBondContact O-N 2.87Å
69K56.3Low69.1Low134 Ų134110 Ų11058%0.58359%0.594SS**G310 helixtrans-97.33.9-178.7-61.7-174.4-178.6178.30114.1P65 S66 S67 L71P65-K69 HydrophobicContact CB-CB 4.45Å; S66-K69 PolarHBondContact O-N 3.3Å; S67-K69 VanDerWaalsContact C-N 3.28Å; S67-K69 PolarHBondContact O-N 3.42Å; K69-L71 VanDerWaalsContact C-N 3.32Å; K69-L71 PolarHBondContact O-N 3.48Å
70K57.8Low69.3Low145 Ų145109.9 Ų109.963%0.6361%0.611SS**  trans-67-27.8-173.3-83.1-173.8174-175.20114S67 G72S67-K70 PolarHBondContact O-N 3.26Å; K70-G72 PolarHBondContact O-N 2.92Å
71L57.8Low70.1Confident179 Ų179107.6 Ų107.694%0.93760%0.603SS**THydrogen-bonded Turntrans-86.8100.1176.2-138.479.5000109.6K69K69-L71 VanDerWaalsContact C-N 3.32Å; K69-L71 PolarHBondContact O-N 3.48Å
72G69.8Low71.5Confident67 Ų67106 Ų10669%0.69159%0.591SS**THydrogen-bonded Turntrans96.221.4-179.800000115.1K70 L74K70-G72 PolarHBondContact O-N 2.92Å; G72-L74 PolarHBondContact O-N 2.96Å
73W76Confident72.9Confident156 Ų15698.5 Ų98.559%0.59156%0.558SS**  trans-63.8128.4167-176.183.8000110.1P65P65-W73 HydrophobicContact CG-CG 4.17Å
74L85.4Confident74.6Confident56 Ų5690.5 Ų90.529%0.29352%0.521SS..  trans-127.1149.4176.8-68.6173000108.7G72 K93G72-L74 PolarHBondContact O-N 2.96Å; L74-K93 HydrophobicContact CD1-CB 3.37Å; L74-K93 HydrophobicContact CD1-CD 4.33Å
75P88.4Confident76.3Confident65 Ų6588.2 Ų88.242%0.42251%0.511SS..PPolyproline II helixtrans-58.5152.2173.527.4-35.5000110.5C95 G96P75-C95 CarbonylContact O-C 3.41Å; P75-C95 WeakPolarHBondContact O-CA 3.29Å; P75-C95 WeakPolarHBondContact O-CB 3.34Å; P75-G96 PolarHBondContact O-N 3.38Å
76P88.6Confident78.1Confident107 Ų10794 Ų9470%0.69553%0.527SS*.BIsolated β-bridgetrans-64.8145.8176.428.3-34.3000111.2G96P76-G96 CarbonylContact C-O 3.54Å; P76-G96 VanDerWaalsContact CA-O 3.32Å; P76-G96 WeakPolarHBondContact CA-O 3.26Å
77C91.3Very high79.8Confident17 Ų1799.8 Ų99.812%0.11555%0.545CS..PPolyproline II helixtrans-72142.1175.2-60.30000111.4C95 G96 C110C77-C95 WeakPolarHBondContact CA-SG 3.28Å; C77-C95 HydrophobicContact CB-CB 3.92Å; C77-C95 WeakPolarHBondContact CB-SG 3.37Å; C77-C95 WeakPolarHBondContact SG-CB 3.34Å; C77-C95 CovalentContact SG-SG 2.03Å; C77-C95 PolarHBondContact SG-SG 2.99Å; C77-G96 PolarHBondContact N-O 2.82Å; C77-C110 VanDerWaalsContact SG-SG 3.65Å
78V84.8Confident81.5Confident89 Ų8998.1 Ų98.154%0.53954%0.542SS..PPolyproline II helixtrans-74.1146.4165.6-173.10000108.6G80 E81V78-G80 PolarHBondContact O-N 2.98Å; V78-E81 HydrophobicContact CB-CB 4.5Å; V78-E81 HydrophobicContact CB-CG 3.89Å; V78-E81 PolarHBondContact O-N 3.46Å; V78-E81 VanDerWaalsContact O-N 3.12Å
79A80.8Confident83.3Confident105 Ų10594.1 Ų94.187%0.86854%0.541SS*.THydrogen-bonded Turntrans-57.3122.4179.100000110.7
80G77Confident85Confident72 Ų7297.8 Ų97.874%0.74255%0.551SS**THydrogen-bonded Turntrans89.7-2.3179.800000116V78V78-G80 PolarHBondContact O-N 2.98Å
81E85.8Confident86.8Confident108 Ų10894.2 Ų94.251%0.50554%0.538SS..SBendtrans-82.4161.3176-73.5-170165.300113.7V78 C83V78-E81 HydrophobicContact CB-CB 4.5Å; V78-E81 HydrophobicContact CB-CG 3.89Å; V78-E81 PolarHBondContact O-N 3.46Å; V78-E81 VanDerWaalsContact O-N 3.12Å; E81-C83 PolarHBondContact O-N 2.88Å
82Q92.4Very high88.4Confident104 Ų10487.3 Ų87.349%0.48651%0.51SS..BIsolated β-bridgetrans-72.9125.3173.9-73.1-179-23.100111.1L108Q82-L108 CarbonylContact C-O 3.57Å; Q82-L108 WeakPolarHBondContact CA-O 3.38Å
83C94.6Very high89.5Confident0 Ų090 Ų900%050%0.503CS..SBendtrans-85.8-16.917961.80000113.5E81 K93 L94 C103 L108 Q109E81-C83 PolarHBondContact O-N 2.88Å; C83-K93 WeakPolarHBondContact O-CA 3.26Å; C83-L94 PolarHBondContact O-N 3.06Å; C83-C103 VanDerWaalsContact C-SG 3.51Å; C83-C103 HydrophobicContact CB-CB 3.72Å; C83-C103 WeakPolarHBondContact CB-SG 3.46Å; C83-C103 WeakPolarHBondContact SG-CA 3.46Å; C83-C103 WeakPolarHBondContact SG-CB 3.43Å; C83-C103 CovalentContact SG-SG 2.02Å; C83-C103 PolarHBondContact SG-SG 3.38Å; C83-L108 PolarHBondContact N-O 2.94Å; C83-L108 VanDerWaalsContact SG-C 3.52Å; C83-L108 PolarHBondContact SG-O 3.12Å; C83-Q109 VanDerWaalsContact SG-CA 3.58Å; C83-Q109 PolarHBondContact SG-O 2.93Å
84A95.1Very high90.3Very high0 Ų086.7 Ų86.70%050%0.496CS..EExtended strand (participates in β ladder)trans-149.9163178.600000112I91 G92 C103 F105 L108A84-I91 HydrophobicContact CB-CG2 3.96Å; A84-G92 CarbonylContact C-O 3.41Å; A84-G92 WeakPolarHBondContact CA-O 3.27Å; A84-G92 WeakPolarHBondContact CB-O 3.48Å; A84-C103 VanDerWaalsContact CB-SG 3.55Å; A84-F105 HydrophobicContact CB-CD1 3.89Å; A84-F105 HydrophobicContact CB-CE1 3.92Å; A84-L108 HydrophobicContact CB-CD2 4.08Å; A84-L108 WeakPolarHBondContact O-CB 3.35Å
85V94.2Very high90.6Very high61 Ų6184.5 Ų84.537%0.3749%0.485SS..EExtended strand (participates in β ladder)trans-128.4145.1174.6-69.20000110.5I91 G92 L94V85-I91 WeakPolarHBondContact O-CA 3.43Å; V85-G92 PolarHBondContact N-O 2.94Å; V85-G92 PolarHBondContact O-N 3.31Å; V85-L94 HydrophobicContact CG1-CD1 3.66Å; V85-L94 HydrophobicContact CG1-CD2 4.25Å; V85-L94 HydrophobicContact CG1-CG 4.08Å; V85-L94 HydrophobicContact CG2-CD2 4.05Å; V85-L94 HydrophobicContact CG2-CG 4.45Å
86R94.9Very high90.7Very high162 Ų16282.8 Ų82.861%0.61148%0.479SS*.EExtended strand (participates in β ladder)trans-107.7125.2177.8-170.6171.9-173.9142.6-2.1110.3G88 I91R86-G88 WeakPolarHBondContact CG-O 3.35Å; R86-G88 PolarHBondContact NE-O 2.97Å; R86-I91 HydrophobicContact CG-CG1 4.29Å
87K93.8Very high90.8Very high189 Ų18979.1 Ų79.182%0.82246%0.456SS*.EExtended strand (participates in β ladder)trans-124.196.2171.5-166.1171.2-177.61750108.4A89 R90K87-A89 PolarHBondContact O-N 3.45Å; K87-R90 PolarHBondContact N-O 2.99Å; K87-R90 PolarHBondContact O-N 3.01Å
88G91.4Very high90.7Very high62 Ų6281.8 Ų81.864%0.63947%0.473SS*.THydrogen-bonded Turntrans64.7-122.4-172.400000112.2R86R86-G88 WeakPolarHBondContact CG-O 3.35Å; R86-G88 PolarHBondContact NE-O 2.97Å
89A92.1Very high90.7Very high99 Ų9989.6 Ų89.682%0.81849%0.493SS*.THydrogen-bonded Turntrans-83.4-10.6176.800000113.9K87K87-A89 PolarHBondContact O-N 3.45Å
90R93.8Very high90.8Very high211 Ų21188.4 Ų88.480%0.79649%0.491SS*.EExtended strand (participates in β ladder)trans-96.3144.5-176.6-60.5-173.8-173.8-148.92.1111.2K87K87-R90 PolarHBondContact N-O 2.99Å; K87-R90 PolarHBondContact O-N 3.01Å
91I93.8Very high91.4Very high69 Ų6987.1 Ų87.135%0.35447%0.469SS..EExtended strand (participates in β ladder)trans-124.8126.1177-55.7-178.2000108.8A84 V85 R86 F105A84-I91 HydrophobicContact CB-CG2 3.96Å; V85-I91 WeakPolarHBondContact O-CA 3.43Å; R86-I91 HydrophobicContact CG-CG1 4.29Å; I91-F105 HydrophobicContact CD1-CB 3.98Å; I91-F105 HydrophobicContact CD1-CD1 4.42Å; I91-F105 HydrophobicContact CD1-CG 4.31Å; I91-F105 HydrophobicContact CG2-CD1 3.43Å; I91-F105 VanDerWaalsContact CG2-CD1 3.43Å; I91-F105 HydrophobicContact CG2-CE1 3.69Å; I91-F105 HydrophobicContact CG2-CG 4.31Å
92G92.6Very high91.6Very high34 Ų3488.6 Ų88.635%0.35148%0.479SS..EExtended strand (participates in β ladder)trans-114.5134.817600000110.7A84 V85A84-G92 CarbonylContact C-O 3.41Å; A84-G92 WeakPolarHBondContact CA-O 3.27Å; A84-G92 WeakPolarHBondContact CB-O 3.48Å; V85-G92 PolarHBondContact N-O 2.94Å; V85-G92 PolarHBondContact O-N 3.31Å
93K92.8Very high91.6Very high124 Ų12484.6 Ų84.654%0.53946%0.462SS..EExtended strand (participates in β ladder)trans-80.4139.8173.5-69.4-177-178.5179.90110.3L74 C83 F105L74-K93 HydrophobicContact CD1-CB 3.37Å; L74-K93 HydrophobicContact CD1-CD 4.33Å; C83-K93 WeakPolarHBondContact O-CA 3.26Å; K93-F105 HydrophobicContact CG-CE1 4.19Å; K93-F105 HydrophobicContact CG-CZ 4.43Å
94L92Very high91.6Very high87 Ų8787.5 Ų87.546%0.45548%0.478SS..  trans-98-39.9177.3-63.6-177.6000112C83 V85C83-L94 PolarHBondContact O-N 3.06Å; V85-L94 HydrophobicContact CG1-CD1 3.66Å; V85-L94 HydrophobicContact CG1-CD2 4.25Å; V85-L94 HydrophobicContact CG1-CG 4.08Å; V85-L94 HydrophobicContact CG2-CD2 4.05Å; V85-L94 HydrophobicContact CG2-CG 4.45Å
95C92.6Very high91.4Very high9 Ų991.9 Ų91.96%0.06150%0.497CS..SBendtrans-146162.6-175.355.40000110.8P75 C77P75-C95 CarbonylContact O-C 3.41Å; P75-C95 WeakPolarHBondContact O-CA 3.29Å; P75-C95 WeakPolarHBondContact O-CB 3.34Å; C77-C95 WeakPolarHBondContact CA-SG 3.28Å; C77-C95 HydrophobicContact CB-CB 3.92Å; C77-C95 WeakPolarHBondContact CB-SG 3.37Å; C77-C95 WeakPolarHBondContact SG-CB 3.34Å; C77-C95 CovalentContact SG-SG 2.03Å; C77-C95 PolarHBondContact SG-SG 2.99Å
96G90.8Very high91.3Very high29 Ų2994.3 Ų94.330%0.29952%0.517SS..BIsolated β-bridgetrans-89.1123.4172.900000111.2P75 P76 C77P75-G96 PolarHBondContact O-N 3.38Å; P76-G96 CarbonylContact C-O 3.54Å; P76-G96 VanDerWaalsContact CA-O 3.32Å; P76-G96 WeakPolarHBondContact CA-O 3.26Å; C77-G96 PolarHBondContact N-O 2.82Å
97C90.9Very high91.2Very high31 Ų3191 Ų9121%0.20951%0.511CS..PPolyproline II helixtrans-63144.7174.3-65.50000111.3T101 C103 C110C97-T101 WeakPolarHBondContact CB-O 3.49Å; C97-T101 WeakPolarHBondContact CB-OG1 3.36Å; C97-C103 PolarHBondContact SG-N 3.41Å; C97-C103 VanDerWaalsContact SG-N 3.43Å; C97-C110 WeakPolarHBondContact CA-SG 3.29Å; C97-C110 HydrophobicContact CB-CB 3.78Å; C97-C110 WeakPolarHBondContact CB-SG 3.32Å; C97-C110 VanDerWaalsContact SG-CA 3.53Å; C97-C110 WeakPolarHBondContact SG-CB 3.34Å; C97-C110 CovalentContact SG-SG 2.04Å; C97-C110 PolarHBondContact SG-SG 3.31Å
98P87.7Confident91.2Very high73 Ų7383.4 Ų83.447%0.47448%0.479SS..PPolyproline II helixtrans-62.1161.8178.226.5-34000111.6G100 T101P98-G100 PolarHBondContact O-N 3.13Å; P98-T101 WeakPolarHBondContact CD-OG1 3.31Å; P98-T101 WeakPolarHBondContact CG-OG1 3.34Å; P98-T101 PolarHBondContact O-N 2.75Å; P98-T101 VanDerWaalsContact O-N 3.09Å; P98-T101 PolarHBondContact O-OG1 3.46Å
99R84.6Confident91.3Very high253 Ų25384.7 Ų84.796%0.95547%0.468SS*.THydrogen-bonded Turntrans-52.1130.3-178.6-71.5-177.2173.2163-1.8110.8
100G84.7Confident91.3Very high80 Ų8082 Ų8283%0.82544%0.443SS*.THydrogen-bonded Turntrans92.7-4.8179.500000115.1P98P98-G100 PolarHBondContact O-N 3.13Å
101T88.6Confident91Very high45 Ų4576.3 Ų76.328%0.27644%0.441SS..  trans-122.8147.9174.5600000110.6C97 P98 A111C97-T101 WeakPolarHBondContact CB-O 3.49Å; C97-T101 WeakPolarHBondContact CB-OG1 3.36Å; P98-T101 WeakPolarHBondContact CD-OG1 3.31Å; P98-T101 WeakPolarHBondContact CG-OG1 3.34Å; P98-T101 PolarHBondContact O-N 2.75Å; P98-T101 VanDerWaalsContact O-N 3.09Å; P98-T101 PolarHBondContact O-OG1 3.46Å; T101-A111 CarbonylContact C-O 3.4Å; T101-A111 WeakPolarHBondContact CA-O 3.49Å
102L91Very high90.9Very high139 Ų13976.7 Ų76.773%0.72845%0.445SS*.  trans-117.7155172.7-75.1103.1000110.4N104 C110 A111L102-N104 PolarHBondContact O-N 3.07Å; L102-N104 VanDerWaalsContact O-N 3.16Å; L102-C110 WeakPolarHBondContact O-CA 3.5Å; L102-A111 PolarHBondContact N-O 3.35Å; L102-A111 PolarHBondContact O-N 3.26Å; L102-A111 VanDerWaalsContact O-O 3.13Å
103C92.4Very high90.8Very high19 Ų1978.9 Ų78.913%0.12845%0.45CS..EExtended strand (participates in β ladder)trans-72.6111.4174.4-174.60000109.5C83 A84 C97 F105C83-C103 VanDerWaalsContact C-SG 3.51Å; C83-C103 HydrophobicContact CB-CB 3.72Å; C83-C103 WeakPolarHBondContact CB-SG 3.46Å; C83-C103 WeakPolarHBondContact SG-CA 3.46Å; C83-C103 WeakPolarHBondContact SG-CB 3.43Å; C83-C103 CovalentContact SG-SG 2.02Å; C83-C103 PolarHBondContact SG-SG 3.38Å; A84-C103 VanDerWaalsContact CB-SG 3.55Å; C97-C103 PolarHBondContact SG-N 3.41Å; C97-C103 VanDerWaalsContact SG-N 3.43Å; C103-F105 PolarHBondContact O-N 2.97Å
104N93.1Very high90.7Very high62 Ų6276.4 Ų76.433%0.33245%0.445SS..EExtended strand (participates in β ladder)trans-79.5111.3174.3-176.5-40000109.1L102 S106 I107 L108 Q109 A111L102-N104 PolarHBondContact O-N 3.07Å; L102-N104 VanDerWaalsContact O-N 3.16Å; N104-S106 PolarHBondContact O-N 3.5Å; N104-S106 WeakPolarHBondContact OD1-CA 3.41Å; N104-S106 VanDerWaalsContact OD1-CB 3.28Å; N104-S106 WeakPolarHBondContact OD1-CB 3.19Å; N104-S106 PolarHBondContact OD1-N 3.36Å; N104-I107 HydrophobicContact CB-CD1 4.17Å; N104-I107 HydrophobicContact CB-CG1 3.68Å; N104-I107 PolarHBondContact O-N 3.37Å; N104-I107 PolarHBondContact OD1-N 3.2Å; N104-L108 WeakPolarHBondContact O-CA 3.29Å; N104-L108 PolarHBondContact O-N 3.47Å; N104-Q109 WeakPolarHBondContact CB-O 3.45Å; N104-Q109 PolarHBondContact N-O 2.93Å; N104-Q109 PolarHBondContact O-N 3.26Å; N104-A111 HydrophobicContact CB-CB 4.38Å
105F92.6Very high90.6Very high91 Ų9175.8 Ų75.840%0.39945%0.445SS..THydrogen-bonded Turntrans-73.3-8.4-176.2-64.8-59.8000115A84 I91 K93 C103 L108A84-F105 HydrophobicContact CB-CD1 3.89Å; A84-F105 HydrophobicContact CB-CE1 3.92Å; I91-F105 HydrophobicContact CD1-CB 3.98Å; I91-F105 HydrophobicContact CD1-CD1 4.42Å; I91-F105 HydrophobicContact CD1-CG 4.31Å; I91-F105 HydrophobicContact CG2-CD1 3.43Å; I91-F105 VanDerWaalsContact CG2-CD1 3.43Å; I91-F105 HydrophobicContact CG2-CE1 3.69Å; I91-F105 HydrophobicContact CG2-CG 4.31Å; K93-F105 HydrophobicContact CG-CE1 4.19Å; K93-F105 HydrophobicContact CG-CZ 4.43Å; C103-F105 PolarHBondContact O-N 2.97Å; F105-L108 WeakPolarHBondContact O-CD2 3.34Å
106S91.7Very high90.5Very high113 Ų11379.9 Ų79.979%0.7947%0.469SS*.THydrogen-bonded Turntrans-83.1-42.7175-560000111.6N104N104-S106 PolarHBondContact O-N 3.5Å; N104-S106 WeakPolarHBondContact OD1-CA 3.41Å; N104-S106 VanDerWaalsContact OD1-CB 3.28Å; N104-S106 WeakPolarHBondContact OD1-CB 3.19Å; N104-S106 PolarHBondContact OD1-N 3.36Å
107I92.4Very high90.5Very high92 Ų9283.3 Ų83.347%0.47248%0.48SS..THydrogen-bonded Turntrans-100.6-6178.160.8169.4000113.2N104 Q109N104-I107 HydrophobicContact CB-CD1 4.17Å; N104-I107 HydrophobicContact CB-CG1 3.68Å; N104-I107 PolarHBondContact O-N 3.37Å; N104-I107 PolarHBondContact OD1-N 3.2Å; I107-Q109 HydrophobicContact CD1-CB 4.04Å; I107-Q109 HydrophobicContact CG1-CB 4.13Å; I107-Q109 PolarHBondContact O-N 3.28Å
108L93.7Very high90.4Very high30 Ų3087.1 Ų87.116%0.15750%0.499CS..THydrogen-bonded Turntrans58.725.9-179-56.8177.5000114.1Q82 C83 A84 N104 F105Q82-L108 CarbonylContact C-O 3.57Å; Q82-L108 WeakPolarHBondContact CA-O 3.38Å; C83-L108 PolarHBondContact N-O 2.94Å; C83-L108 VanDerWaalsContact SG-C 3.52Å; C83-L108 PolarHBondContact SG-O 3.12Å; A84-L108 HydrophobicContact CB-CD2 4.08Å; A84-L108 WeakPolarHBondContact O-CB 3.35Å; N104-L108 WeakPolarHBondContact O-CA 3.29Å; N104-L108 PolarHBondContact O-N 3.47Å; F105-L108 WeakPolarHBondContact O-CD2 3.34Å
109Q92.8Very high90.7Very high88 Ų8888.2 Ų88.241%0.41150%0.501SS..EExtended strand (participates in β ladder)trans-127.3158.9-177.5-72.1177.2-16.200111.2C83 N104 I107C83-Q109 VanDerWaalsContact SG-CA 3.58Å; C83-Q109 PolarHBondContact SG-O 2.93Å; N104-Q109 WeakPolarHBondContact CB-O 3.45Å; N104-Q109 PolarHBondContact N-O 2.93Å; N104-Q109 PolarHBondContact O-N 3.26Å; I107-Q109 HydrophobicContact CD1-CB 4.04Å; I107-Q109 HydrophobicContact CG1-CB 4.13Å; I107-Q109 PolarHBondContact O-N 3.28Å
110C92.3Very high91.2Very high42 Ų4274.4 Ų74.428%0.28446%0.464SS..EExtended strand (participates in β ladder)trans-73.2127.2173.6-61.40000110.2C77 C97 L102C77-C110 VanDerWaalsContact SG-SG 3.65Å; C97-C110 WeakPolarHBondContact CA-SG 3.29Å; C97-C110 HydrophobicContact CB-CB 3.78Å; C97-C110 WeakPolarHBondContact CB-SG 3.32Å; C97-C110 VanDerWaalsContact SG-CA 3.53Å; C97-C110 WeakPolarHBondContact SG-CB 3.34Å; C97-C110 CovalentContact SG-SG 2.04Å; C97-C110 PolarHBondContact SG-SG 3.31Å; L102-C110 WeakPolarHBondContact O-CA 3.5Å
111A88.6Confident91.7Very high92 Ų9273.9 Ų73.976%0.7643%0.431SS*.  trans-138.40176.700000110.9T101 L102 N104T101-A111 CarbonylContact C-O 3.4Å; T101-A111 WeakPolarHBondContact CA-O 3.49Å; L102-A111 PolarHBondContact N-O 3.35Å; L102-A111 PolarHBondContact O-N 3.26Å; L102-A111 VanDerWaalsContact O-O 3.13Å; N104-A111 HydrophobicContact CB-CB 4.38Å

Retrieved 111 of 111 residues in 153.2 ms (Link to these results)