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Isoform C1 of Cadherin-23 AlphaSync

Canonical isoform description: Cadherins are calcium-dependent cell adhesion proteins. They preferentially interact with themselves in a homophilic manner in connecting cells. CDH23 is required for establishing and/or maintaining the proper organization of the stereocilia bundle of hair cells in the cochlea and the vestibule during late embryonic/early postnatal development. It is part of the functional network formed by USH1C, USH1G, CDH23 and MYO7A that mediates mechanotransduction in cochlear hair cells. Required for normal hearing.

AlphaFold DB , UniProt , Accession Q99PF4-3 (canonical: Q99PF4), Species MOUSE (Mus musculus, Mouse), Gene Cdh23, Length 235 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
1M39.5Very low52.8Low245 Ų245145.3 Ų145.3100%1.20775%0.746SS**  094.80-90.7174176.200108.1
2L36.6Very low54.8Low174 Ų174145.8 Ų145.891%0.91173%0.732SS**  trans-113.3108.8167.6-82.3160.5000105.2
3L45.6Very low55.7Low157 Ų157141.1 Ų141.182%0.82271%0.71SS**  trans-61.6133.8170.4-76.1159.7000107.7N5L3-N5 PolarHBondContact O-N 3.38Å
4P51.1Low57.1Low75 Ų75135.1 Ų135.149%0.48768%0.681SS.*  trans-62130.5168.7-12.127.1000107.2Y6P4-Y6 HydrophobicContact CB-CD2 3.96Å; P4-Y6 HydrophobicContact CB-CE1 4.47Å; P4-Y6 HydrophobicContact CB-CE2 3.63Å; P4-Y6 HydrophobicContact CG-CD2 4.28Å; P4-Y6 HydrophobicContact CG-CE2 3.49Å; P4-Y6 VanDerWaalsContact CG-CE2 3.49Å; P4-Y6 WeakPolarHBondContact O-CD2 3.1Å; P4-Y6 PolarHBondContact O-N 3.09Å
5N51.1Low58.2Low166 Ų166131.7 Ų131.789%0.88867%0.672SS**  trans-66.179.9165.5-76.4-47000107.8L3 R7L3-N5 PolarHBondContact O-N 3.38Å; N5-R7 VanDerWaalsContact C-N 3.29Å; N5-R7 PolarHBondContact O-N 3.08Å
6Y47.3Very low59.4Low198 Ų198134.2 Ų134.278%0.77668%0.677SS**  trans-64.196.3164.3-65.1-80.8000106P4 A8P4-Y6 HydrophobicContact CB-CD2 3.96Å; P4-Y6 HydrophobicContact CB-CE1 4.47Å; P4-Y6 HydrophobicContact CB-CE2 3.63Å; P4-Y6 HydrophobicContact CG-CD2 4.28Å; P4-Y6 HydrophobicContact CG-CE2 3.49Å; P4-Y6 VanDerWaalsContact CG-CE2 3.49Å; P4-Y6 WeakPolarHBondContact O-CD2 3.1Å; P4-Y6 PolarHBondContact O-N 3.09Å; Y6-A8 VanDerWaalsContact C-N 3.26Å; Y6-A8 PolarHBondContact O-N 2.85Å
7R47.9Very low60.4Low246 Ų246129.1 Ų129.193%0.92866%0.656SS**  trans-60.9100.4161.7-98.1-171.6-169.5-178.34.2105.9N5 N9N5-R7 VanDerWaalsContact C-N 3.29Å; N5-R7 PolarHBondContact O-N 3.08Å; R7-N9 PolarHBondContact O-N 3.27Å
8A61.6Low61.3Low88 Ų88129.1 Ų129.173%0.72765%0.646SS**PPolyproline II helixtrans-55.3125.1168.600000107.7Y6Y6-A8 VanDerWaalsContact C-N 3.26Å; Y6-A8 PolarHBondContact O-N 2.85Å
9N60.3Low62.2Low98 Ų98127.6 Ų127.652%0.52464%0.641SS.*PPolyproline II helixtrans-59.9122.4166.8-170.327000106.1R7 V11 L13R7-N9 PolarHBondContact O-N 3.27Å; N9-V11 PolarHBondContact O-N 2.79Å; N9-L13 WeakPolarHBondContact ND2-CB 2.95Å; N9-L13 WeakPolarHBondContact OD1-CB 3.4Å; N9-L13 VanDerWaalsContact OD1-CD1 3.27Å; N9-L13 WeakPolarHBondContact OD1-CD1 3.24Å
10P71.9Confident63.1Low56 Ų56127.9 Ų127.936%0.36464%0.644SS.*PPolyproline II helixtrans-60.9138.5-179.329.2-38.1000108.8W12 L13P10-W12 VanDerWaalsContact CB-NE1 3.26Å; P10-W12 HydrophobicContact CG-CZ2 3.99Å; P10-W12 PolarHBondContact O-N 2.79Å; P10-L13 HydrophobicContact CG-CD1 3.78Å; P10-L13 HydrophobicContact CG-CG 4.32Å; P10-L13 WeakPolarHBondContact O-CB 3.48Å; P10-L13 PolarHBondContact O-N 2.72Å
11V68.2Low63.6Low95 Ų95126.7 Ų126.758%0.57664%0.636SS**G310 helixtrans-50.6-29.9-167.4170.70000113.4N9 L13 D14 C17N9-V11 PolarHBondContact O-N 2.79Å; V11-L13 VanDerWaalsContact C-N 3.25Å; V11-L13 PolarHBondContact O-N 2.81Å; V11-D14 WeakPolarHBondContact O-CB 3.42Å; V11-D14 PolarHBondContact O-N 3.01Å; V11-D14 VanDerWaalsContact O-N 3.11Å; V11-C17 HydrophobicContact CG1-CB 3.49Å; V11-C17 VanDerWaalsContact CG1-CB 3.49Å; V11-C17 WeakPolarHBondContact O-CB 3.29Å
12W76.5Confident65.2Low151 Ų151119.1 Ų119.157%0.57260%0.6SS**G310 helixtrans-71.4-12.5178.462.2-93.8000115.2P10 R18P10-W12 VanDerWaalsContact CB-NE1 3.26Å; P10-W12 HydrophobicContact CG-CZ2 3.99Å; P10-W12 PolarHBondContact O-N 2.79Å; W12-R18 WeakPolarHBondContact O-CD 3.14Å
13L66.1Low67.1Low85 Ų85113.5 Ų113.545%0.44558%0.579SS.*G310 helixtrans-95.7-5.1171.5-76.6171.7000112.7N9 P10 V11 P15N9-L13 WeakPolarHBondContact ND2-CB 2.95Å; N9-L13 WeakPolarHBondContact OD1-CB 3.4Å; N9-L13 VanDerWaalsContact OD1-CD1 3.27Å; N9-L13 WeakPolarHBondContact OD1-CD1 3.24Å; P10-L13 HydrophobicContact CG-CD1 3.78Å; P10-L13 HydrophobicContact CG-CG 4.32Å; P10-L13 WeakPolarHBondContact O-CB 3.48Å; P10-L13 PolarHBondContact O-N 2.72Å; V11-L13 VanDerWaalsContact C-N 3.25Å; V11-L13 PolarHBondContact O-N 2.81Å; L13-P15 WeakPolarHBondContact O-CD 2.89Å
14D75.1Confident68.5Low57 Ų57109 Ų10931%0.30556%0.564SS.*  trans-84.3115.4171.1-174.4-19.1000109.4V11 F16 C17 R18V11-D14 WeakPolarHBondContact O-CB 3.42Å; V11-D14 PolarHBondContact O-N 3.01Å; V11-D14 VanDerWaalsContact O-N 3.11Å; D14-F16 PolarHBondContact O-N 3.22Å; D14-F16 VanDerWaalsContact O-N 3.17Å; D14-F16 WeakPolarHBondContact OD1-CB 3.33Å; D14-F16 PolarHBondContact OD1-N 2.93Å; D14-C17 HydrophobicContact CB-CB 4.06Å; D14-C17 PolarHBondContact O-N 2.87Å; D14-R18 VanDerWaalsContact O-CB 3.31Å; D14-R18 WeakPolarHBondContact O-CB 3.01Å; D14-R18 PolarHBondContact O-N 3.23Å
15P74.2Confident69.2Low84 Ų84110.4 Ų110.455%0.54556%0.564SS.*Hα-helixtrans-56-31.1178.2-23.734000113.5L13 N19L13-P15 WeakPolarHBondContact O-CD 2.89Å; P15-N19 VanDerWaalsContact O-CB 3.3Å; P15-N19 WeakPolarHBondContact O-CB 3.49Å; P15-N19 PolarHBondContact O-N 2.9Å; P15-N19 VanDerWaalsContact O-N 3.07Å; P15-N19 PolarHBondContact O-ND2 3.45Å
16F77.1Confident69.9Low172 Ų172105.3 Ų105.375%0.75455%0.545SS*.Hα-helixtrans-72.7-46179.5-68.2-79.4000111.7D14 L20D14-F16 PolarHBondContact O-N 3.22Å; D14-F16 VanDerWaalsContact O-N 3.17Å; D14-F16 WeakPolarHBondContact OD1-CB 3.33Å; D14-F16 PolarHBondContact OD1-N 2.93Å; F16-L20 PolarHBondContact O-N 3.41Å; F16-L20 VanDerWaalsContact O-N 3.13Å
17C77Confident70.7Confident47 Ų47104.7 Ų104.732%0.31855%0.549SS..Hα-helixtrans-67.6-40.7177.1-62.90000111.7V11 D14 N19 L20 E21V11-C17 HydrophobicContact CG1-CB 3.49Å; V11-C17 VanDerWaalsContact CG1-CB 3.49Å; V11-C17 WeakPolarHBondContact O-CB 3.29Å; D14-C17 HydrophobicContact CB-CB 4.06Å; D14-C17 PolarHBondContact O-N 2.87Å; C17-N19 PolarHBondContact O-N 3.19Å; C17-L20 PolarHBondContact O-N 2.74Å; C17-E21 WeakPolarHBondContact O-CB 3.34Å; C17-E21 PolarHBondContact O-N 3.47Å
18R76.7Confident71.5Confident129 Ų12998.4 Ų98.449%0.48753%0.53SS..Hα-helixtrans-58.5-47.4175.1-176.2107.5176.5-142.8-0.9111.9W12 D14 E21 L22W12-R18 WeakPolarHBondContact O-CD 3.14Å; D14-R18 VanDerWaalsContact O-CB 3.31Å; D14-R18 WeakPolarHBondContact O-CB 3.01Å; D14-R18 PolarHBondContact O-N 3.23Å; R18-E21 PolarHBondContact O-N 3.42Å; R18-L22 HydrophobicContact CG-CD1 4.02Å; R18-L22 WeakPolarHBondContact O-CB 3.47Å; R18-L22 VanDerWaalsContact O-CG 3.22Å; R18-L22 WeakPolarHBondContact O-CG 3.34Å; R18-L22 PolarHBondContact O-N 3.08Å
19N78Confident71.3Confident102 Ų102101.2 Ų101.255%0.54553%0.528SS..Hα-helixtrans-69.6-35.1-178-71.6-22.1000112.4P15 C17 A23P15-N19 VanDerWaalsContact O-CB 3.3Å; P15-N19 WeakPolarHBondContact O-CB 3.49Å; P15-N19 PolarHBondContact O-N 2.9Å; P15-N19 VanDerWaalsContact O-N 3.07Å; P15-N19 PolarHBondContact O-ND2 3.45Å; C17-N19 PolarHBondContact O-N 3.19Å; N19-A23 VanDerWaalsContact O-CB 3.3Å; N19-A23 WeakPolarHBondContact O-CB 3.36Å; N19-A23 PolarHBondContact O-N 2.87Å
20L80.3Confident71.2Confident132 Ų132104 Ų10469%0.69154%0.543SS*.Hα-helixtrans-67.2-42.4174.8-176.265.1000111.6F16 C17 A23 A24F16-L20 PolarHBondContact O-N 3.41Å; F16-L20 VanDerWaalsContact O-N 3.13Å; C17-L20 PolarHBondContact O-N 2.74Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-A24 PolarHBondContact O-N 3.43Å
21E74.2Confident70.8Confident103 Ų103106.8 Ų106.848%0.48156%0.555SS.*Hα-helixtrans-64.9-43.5175.7-176.4166.7-151.100111.6C17 R18 A23 A24 Q25C17-E21 WeakPolarHBondContact O-CB 3.34Å; C17-E21 PolarHBondContact O-N 3.47Å; R18-E21 PolarHBondContact O-N 3.42Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 2.89Å; E21-A24 PolarHBondContact O-N 2.92Å; E21-Q25 WeakPolarHBondContact O-CB 3.37Å; E21-Q25 WeakPolarHBondContact O-CG 3.19Å; E21-Q25 PolarHBondContact O-N 2.79Å
22L72.1Confident70.6Confident86 Ų86108.3 Ų108.345%0.4556%0.559SS.*Hα-helixtrans-62.4-38.7173.7-73172.3000112.2R18 Q25 A26R18-L22 HydrophobicContact CG-CD1 4.02Å; R18-L22 WeakPolarHBondContact O-CB 3.47Å; R18-L22 VanDerWaalsContact O-CG 3.22Å; R18-L22 WeakPolarHBondContact O-CG 3.34Å; R18-L22 PolarHBondContact O-N 3.08Å; L22-Q25 PolarHBondContact O-N 3.5Å; L22-A26 WeakPolarHBondContact O-CB 3.1Å; L22-A26 PolarHBondContact O-N 3.37Å
23A77.4Confident70Confident56 Ų56103.9 Ų103.946%0.46355%0.55SS.*Hα-helixtrans-66.9-37.217600000112.1N19 L20 E21N19-A23 VanDerWaalsContact O-CB 3.3Å; N19-A23 WeakPolarHBondContact O-CB 3.36Å; N19-A23 PolarHBondContact O-N 2.87Å; L20-A23 PolarHBondContact O-N 3.12Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 2.89Å
24A74.3Confident70Confident62 Ų62110 Ų11051%0.51258%0.577SS.*Hα-helixtrans-70.7-36.917500000112.4L20 E21 E27L20-A24 PolarHBondContact O-N 3.43Å; E21-A24 PolarHBondContact O-N 2.92Å; A24-E27 PolarHBondContact O-N 2.91Å
25Q65.6Low69Low106 Ų106110.5 Ų110.550%0.49558%0.579SS.*Hα-helixtrans-69.3-34.1175.3-74.1178.2-9.900112.2E21 L22 E27 H28E21-Q25 WeakPolarHBondContact O-CB 3.37Å; E21-Q25 WeakPolarHBondContact O-CG 3.19Å; E21-Q25 PolarHBondContact O-N 2.79Å; L22-Q25 PolarHBondContact O-N 3.5Å; Q25-E27 PolarHBondContact O-N 3.36Å; Q25-H28 CarbonylContact O-C 3.53Å; Q25-H28 WeakPolarHBondContact O-CA 3.26Å; Q25-H28 PolarHBondContact O-N 2.83Å
26A66.3Low68.6Low59 Ų59111.8 Ų111.849%0.48858%0.581SS.*THydrogen-bonded Turntrans-66.8-18.1176.300000114L22 E29L22-A26 WeakPolarHBondContact O-CB 3.1Å; L22-A26 PolarHBondContact O-N 3.37Å; A26-E29 WeakPolarHBondContact O-CG 3.27Å
27E64.1Low68.1Low185 Ų185106.9 Ų106.986%0.86457%0.568SS**THydrogen-bonded Turntrans-80.9-4.4171.2-67.3-170.8166.400112.6A24 Q25A24-E27 PolarHBondContact O-N 2.91Å; Q25-E27 PolarHBondContact O-N 3.36Å
28H65.5Low67.3Low113 Ų113110.7 Ų110.752%0.52358%0.581SS.*  trans-129.628.1-169.6-161.2-67.5000112.2Q25 D30 D31Q25-H28 CarbonylContact O-C 3.53Å; Q25-H28 WeakPolarHBondContact O-CA 3.26Å; Q25-H28 PolarHBondContact O-N 2.83Å; H28-D30 PolarHBondContact O-N 3.35Å; H28-D31 IonicContact CD2-OD2 3.24Å; H28-D31 WeakPolarHBondContact CE1-CB 3.45Å; H28-D31 IonicContact CE1-OD2 3.26Å; H28-D31 PolarHBondContact CE1-OD2 3.16Å; H28-D31 IonicContact CG-OD2 3.18Å; H28-D31 WeakPolarHBondContact ND1-CB 3.41Å; H28-D31 IonicContact ND1-OD2 3.72Å; H28-D31 PolarHBondContact ND1-OD2 3.31Å; H28-D31 IonicContact NE2-OD2 2.73Å; H28-D31 PolarHBondContact NE2-OD2 2.9Å; H28-D31 VanDerWaalsContact NE2-OD2 3.16Å; H28-D31 PolarHBondContact O-N 3.02Å
29E56.6Low66.8Low147 Ų147108 Ų10869%0.68758%0.575SS**THydrogen-bonded Turntrans-60-5.7-175.5-68.3-78.3135.200115A26A26-E29 WeakPolarHBondContact O-CG 3.27Å
30D59Low66.1Low157 Ų157105.2 Ų105.284%0.8457%0.566SS**THydrogen-bonded Turntrans-109.3-7.9-171.9-78.8-36.9000115.9H28 L32H28-D30 PolarHBondContact O-N 3.35Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 2.86Å
31D62.7Low65.3Low115 Ų115104 Ų10462%0.61556%0.561SS**  trans-99.151.8177.3-64.3-37.5000110.9H28H28-D31 IonicContact CD2-OD2 3.24Å; H28-D31 WeakPolarHBondContact CE1-CB 3.45Å; H28-D31 IonicContact CE1-OD2 3.26Å; H28-D31 PolarHBondContact CE1-OD2 3.16Å; H28-D31 IonicContact CG-OD2 3.18Å; H28-D31 WeakPolarHBondContact ND1-CB 3.41Å; H28-D31 IonicContact ND1-OD2 3.72Å; H28-D31 PolarHBondContact ND1-OD2 3.31Å; H28-D31 IonicContact NE2-OD2 2.73Å; H28-D31 PolarHBondContact NE2-OD2 2.9Å; H28-D31 VanDerWaalsContact NE2-OD2 3.16Å; H28-D31 PolarHBondContact O-N 3.02Å
32L63Low64.7Low126 Ų126104.5 Ų104.566%0.6657%0.566SS**  trans-65.5127.6162.8-16273.2000106.6D30 E34 L36D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 2.86Å; L32-E34 PolarHBondContact O-N 3.5Å; L32-E34 VanDerWaalsContact O-N 3.13Å; L32-L36 HydrophobicContact CG-CD2 4.45Å
33P64.6Low64.3Low59 Ų59110.7 Ų110.738%0.38358%0.584SS.*  trans-53.7128.2175.617.4-27000108.7N35 I39P33-N35 PolarHBondContact O-N 3.31Å; P33-I39 HydrophobicContact CG-CD1 3.53Å
34E65.9Low63.6Low214 Ų214114 Ų114100%159%0.594SS**SBendtrans-53.7-18.3-179.6-68.4-179.5164.600112L32L32-E34 PolarHBondContact O-N 3.5Å; L32-E34 VanDerWaalsContact O-N 3.13Å
35N54.7Low62.3Low66 Ų66113.8 Ų113.835%0.35359%0.588SS.*  trans-131.2101.6179.8-162.9-7000112.4P33 S37 E38P33-N35 PolarHBondContact O-N 3.31Å; N35-S37 PolarHBondContact O-N 3.31Å; N35-S37 VanDerWaalsContact O-N 3.15Å; N35-S37 WeakPolarHBondContact OD1-CB 3.35Å; N35-S37 PolarHBondContact OD1-N 2.99Å; N35-S37 PolarHBondContact OD1-OG 3.32Å; N35-E38 HydrophobicContact CB-CG 4.34Å; N35-E38 PolarHBondContact O-N 3Å
36L66.1Low61.7Low111 Ų111114.9 Ų114.958%0.58161%0.605SS**Hα-helixtrans-64.8-11.4171.9-64.2174.8000113.4L32 I39L32-L36 HydrophobicContact CG-CD2 4.45Å; L36-I39 HydrophobicContact CD2-CD1 4.19Å
37S65.3Low61.1Low69 Ų69116.3 Ų116.348%0.48361%0.607SS.*Hα-helixtrans-73-32-179.9-39.10000112.2N35 I39 A40 D41N35-S37 PolarHBondContact O-N 3.31Å; N35-S37 VanDerWaalsContact O-N 3.15Å; N35-S37 WeakPolarHBondContact OD1-CB 3.35Å; N35-S37 PolarHBondContact OD1-N 2.99Å; N35-S37 PolarHBondContact OD1-OG 3.32Å; S37-I39 VanDerWaalsContact C-N 3.26Å; S37-I39 PolarHBondContact O-N 3.29Å; S37-A40 PolarHBondContact O-N 2.9Å; S37-D41 PolarHBondContact O-N 3.4Å
38E62Low60.5Low127 Ų127118.4 Ų118.459%0.59361%0.607SS**Hα-helixtrans-67.1-29.8178.6-67.3176-16200112.1N35 D41 L42N35-E38 HydrophobicContact CB-CG 4.34Å; N35-E38 PolarHBondContact O-N 3Å; E38-D41 PolarHBondContact O-N 2.94Å; E38-L42 PolarHBondContact O-N 3.43Å; E38-L42 VanDerWaalsContact O-N 3.16Å
39I65.2Low60.2Low73 Ų73117.3 Ų117.337%0.37461%0.608SS.*Hα-helixtrans-66.5-46.8172.9-74.1154000109.8P33 L36 S37 D41 L42 W43P33-I39 HydrophobicContact CG-CD1 3.53Å; L36-I39 HydrophobicContact CD2-CD1 4.19Å; S37-I39 VanDerWaalsContact C-N 3.26Å; S37-I39 PolarHBondContact O-N 3.29Å; I39-D41 VanDerWaalsContact C-N 3.27Å; I39-D41 PolarHBondContact O-N 2.9Å; I39-L42 WeakPolarHBondContact O-CB 3.44Å; I39-L42 PolarHBondContact O-N 3.41Å; I39-L42 VanDerWaalsContact O-N 3.1Å; I39-W43 PolarHBondContact O-N 3.26Å
40A64Low59.9Low43 Ų43119.1 Ų119.136%0.35562%0.617SS.*Hα-helixtrans-61.2-38.4177.800000111.7S37 L42 W43 N44S37-A40 PolarHBondContact O-N 2.9Å; A40-L42 VanDerWaalsContact C-N 3.29Å; A40-L42 PolarHBondContact O-N 3.01Å; A40-W43 PolarHBondContact O-N 3.38Å; A40-N44 WeakPolarHBondContact O-CB 3.41Å; A40-N44 VanDerWaalsContact O-CG 3.32Å; A40-N44 PolarHBondContact O-N 3.02Å; A40-N44 PolarHBondContact O-ND2 3.26Å
41D61.9Low59.7Low107 Ų107113.3 Ų113.357%0.57259%0.593SS**Hα-helixtrans-63.6-33175.3-72.8-22.4000112.4S37 E38 I39 N44 S45S37-D41 PolarHBondContact O-N 3.4Å; E38-D41 PolarHBondContact O-N 2.94Å; I39-D41 VanDerWaalsContact C-N 3.27Å; I39-D41 PolarHBondContact O-N 2.9Å; D41-N44 PolarHBondContact O-N 2.89Å; D41-S45 VanDerWaalsContact O-CB 3.22Å; D41-S45 WeakPolarHBondContact O-CB 3.29Å; D41-S45 PolarHBondContact O-N 3.47Å; D41-S45 PolarHBondContact O-OG 3.47Å
42L62.5Low59.3Low113 Ų113114.7 Ų114.759%0.59261%0.606SS**Hα-helixtrans-69.7-32.3174.8-171.763.1000113.1E38 I39 A40E38-L42 PolarHBondContact O-N 3.43Å; E38-L42 VanDerWaalsContact O-N 3.16Å; I39-L42 WeakPolarHBondContact O-CB 3.44Å; I39-L42 PolarHBondContact O-N 3.41Å; I39-L42 VanDerWaalsContact O-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.29Å; A40-L42 PolarHBondContact O-N 3.01Å
43W63.3Low58.8Low217 Ų217117.9 Ų117.982%0.82262%0.615SS**Hα-helixtrans-80.3-25.8175.5-71.999.7000113.1I39 A40I39-W43 PolarHBondContact O-N 3.26Å; A40-W43 PolarHBondContact O-N 3.38Å
44N63Low58.1Low126 Ų126118.5 Ų118.567%0.67463%0.632SS**Hα-helixtrans-96.9-17-179.5-68.9-45.8000113.6A40 D41 P46A40-N44 WeakPolarHBondContact O-CB 3.41Å; A40-N44 VanDerWaalsContact O-CG 3.32Å; A40-N44 PolarHBondContact O-N 3.02Å; A40-N44 PolarHBondContact O-ND2 3.26Å; D41-N44 PolarHBondContact O-N 2.89Å; N44-P46 WeakPolarHBondContact O-CD 3.39Å
45S46.9Very low57.7Low56 Ų56118.7 Ų118.739%0.39262%0.624SS.*SBendtrans-79.7126172.444.60000109.1D41 T47D41-S45 VanDerWaalsContact O-CB 3.22Å; D41-S45 WeakPolarHBondContact O-CB 3.29Å; D41-S45 PolarHBondContact O-N 3.47Å; D41-S45 PolarHBondContact O-OG 3.47Å; S45-T47 PolarHBondContact O-N 3.46Å
46P53.6Low57.6Low130 Ų130123.1 Ų123.184%0.84464%0.642SS**  trans-64.487168.2-13.527.5000107.1N44 R48N44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-R48 PolarHBondContact O-N 2.88Å
47T54.1Low57.1Low88 Ų88123.3 Ų123.354%0.5465%0.65SS.*  trans-55.2123171.8-630000105.5S45 T49S45-T47 PolarHBondContact O-N 3.46Å; T47-T49 PolarHBondContact O-N 3.3Å
48R51.6Low56.6Low230 Ų230122.9 Ų122.987%0.86865%0.651SS**  trans-62.280.2-178.3-169.7-174.7-152.4-172.16.9109.3P46 H50P46-R48 PolarHBondContact O-N 2.88Å; R48-H50 PolarHBondContact O-N 2.85Å
49T58.1Low56.2Low89 Ų89121.9 Ų121.955%0.54666%0.664SS.*  trans-68.4108.2175.851.90000107.4T47 G51T47-T49 PolarHBondContact O-N 3.3Å; T49-G51 PolarHBondContact O-N 3.3Å
50H50.2Low55.6Low186 Ų186123.6 Ų123.686%0.86168%0.678SS**SBendtrans-75.845.9179.1-149.4-67.6000112R48R48-H50 PolarHBondContact O-N 2.85Å
51G54.2Low55.4Low34 Ų34130.1 Ų130.135%0.35170%0.698SS.*SBendtrans-165.4105.4-177.200000111.4T49 F53T49-G51 PolarHBondContact O-N 3.3Å; G51-F53 WeakPolarHBondContact O-CD2 3.43Å; G51-F53 PolarHBondContact O-N 3.32Å
52T55.6Low55.3Low145 Ų145130.4 Ų130.489%0.8971%0.706SS**SBendtrans40.5-6.1157.559.40000122.2G54T52-G54 PolarHBondContact O-N 3.49Å
53F52.7Low55.4Low192 Ų192131 Ų13184%0.84271%0.71SS**THydrogen-bonded Turntrans-79.769173.7-81.6-87.5000108.8G51G51-F53 WeakPolarHBondContact O-CD2 3.43Å; G51-F53 PolarHBondContact O-N 3.32Å
54G50.3Low55.8Low72 Ų72126.2 Ų126.274%0.74270%0.7SS**THydrogen-bonded Turntrans-1626.2-177.100000114.3T52 E56T52-G54 PolarHBondContact O-N 3.49Å; G54-E56 PolarHBondContact O-N 2.81Å
55R55.6Low56.7Low218 Ų218124.3 Ų124.382%0.82369%0.69SS**  trans-81.299.7164.3-166.9175.3-170.5-106.11.3106.7
56E53.1Low58.7Low160 Ų160130.9 Ų130.975%0.74871%0.706SS**  trans-41.8125.1162.9-172.1-167.3-175.500108G54 A58G54-E56 PolarHBondContact O-N 2.81Å; E56-A58 VanDerWaalsContact C-N 3.31Å; E56-A58 PolarHBondContact O-N 3.39Å
57P55.9Low60.4Low114 Ų114134.1 Ų134.174%0.7470%0.703SS**  trans-61.1103.9169.6-10.424000105.5A59P57-A59 PolarHBondContact O-N 3.27Å
58A54.5Low62.2Low61 Ų61134.6 Ų134.650%0.50470%0.702SS.*  trans-46.2123.4169.500000106.3E56 V60E56-A58 VanDerWaalsContact C-N 3.31Å; E56-A58 PolarHBondContact O-N 3.39Å; A58-V60 PolarHBondContact O-N 3.32Å
59A53.6Low64.1Low105 Ų105129.4 Ų129.487%0.86868%0.682SS**  trans-62.870.9-178.900000110P57 K61P57-A59 PolarHBondContact O-N 3.27Å; A59-K61 PolarHBondContact O-N 3.35Å
60V53.6Low65.9Low109 Ų109127.3 Ų127.366%0.66167%0.674SS**  trans-64.3122164.1174.20000103.5A58A58-V60 PolarHBondContact O-N 3.32Å
61K58.5Low68Low181 Ų181120.5 Ų120.579%0.78765%0.65SS**  trans-37.1136.1171.5-66178.3174.41770108.2A59 D63A59-K61 PolarHBondContact O-N 3.35Å; K61-D63 PolarHBondContact O-N 3.07Å
62P61.2Low69.8Low112 Ų112123.2 Ų123.273%0.72766%0.655SS**  trans-6097.5-179.326.2-32.5000106.9D64P62-D64 PolarHBondContact O-N 2.9Å
63D63.8Low71.7Confident127 Ų127121.9 Ų121.968%0.67964%0.639SS**  trans-52.7133.6161.7-91.2-32.9000104.3K61 D65K61-D63 PolarHBondContact O-N 3.07Å; D63-D65 VanDerWaalsContact C-N 3.3Å; D63-D65 VanDerWaalsContact O-CA 3.32Å; D63-D65 WeakPolarHBondContact O-CA 3.42Å; D63-D65 PolarHBondContact O-N 2.86Å
64D71.6Confident73.6Confident116 Ų116117.9 Ų117.962%0.6262%0.623SS**  trans-50.391.2-165.4-165.716.3000111.4P62 R66 R69P62-D64 PolarHBondContact O-N 2.9Å; D64-R66 PolarHBondContact O-N 2.94Å; D64-R69 VanDerWaalsContact CG-CZ 3.47Å; D64-R69 VanDerWaalsContact CG-NH2 3.34Å; D64-R69 PolarHBondContact O-NH2 3.38Å; D64-R69 VanDerWaalsContact OD1-CD 3.31Å; D64-R69 WeakPolarHBondContact OD1-CD 3.44Å; D64-R69 IonicContact OD1-CZ 3.93Å; D64-R69 IonicContact OD1-NE 2.78Å; D64-R69 PolarHBondContact OD1-NE 2.91Å; D64-R69 IonicContact OD1-NH2 3.16Å; D64-R69 IonicContact OD2-CZ 3.72Å; D64-R69 VanDerWaalsContact OD2-CZ 3.24Å; D64-R69 IonicContact OD2-NE 3.31Å; D64-R69 PolarHBondContact OD2-NE 2.93Å; D64-R69 IonicContact OD2-NH1 3.95Å; D64-R69 IonicContact OD2-NH2 3.85Å; D64-R69 PolarHBondContact OD2-NH2 3.27Å
65D81.8Confident75.7Confident85 Ų85122.8 Ų122.846%0.45562%0.62SS.*  trans-72.5102.1-160.9-96.4-21000108.4D63 Y67 L68 R69D63-D65 VanDerWaalsContact C-N 3.3Å; D63-D65 VanDerWaalsContact O-CA 3.32Å; D63-D65 WeakPolarHBondContact O-CA 3.42Å; D63-D65 PolarHBondContact O-N 2.86Å; D65-Y67 PolarHBondContact O-N 3.22Å; D65-Y67 VanDerWaalsContact O-N 3.11Å; D65-L68 HydrophobicContact CB-CB 3.61Å; D65-L68 PolarHBondContact O-N 3.39Å; D65-R69 PolarHBondContact O-N 3.38Å
66R89.9Confident77.6Confident194 Ų194116.6 Ų116.673%0.73260%0.603SS**Hα-helixtrans-52.6-36.7179-176-179.8-179.2-130.60.8111.2D64 A70D64-R66 PolarHBondContact O-N 2.94Å; R66-A70 VanDerWaalsContact O-CB 3.27Å; R66-A70 WeakPolarHBondContact O-CB 3.44Å; R66-A70 PolarHBondContact O-N 3.35Å
67Y89.2Confident79.5Confident198 Ų198111.9 Ų111.978%0.77658%0.583SS**Hα-helixtrans-67.7-44.1176.5-68.5-75.7000112.5D65 A70 A71D65-Y67 PolarHBondContact O-N 3.22Å; D65-Y67 VanDerWaalsContact O-N 3.11Å; Y67-A70 PolarHBondContact O-N 2.86Å; Y67-A71 WeakPolarHBondContact O-CB 3.48Å; Y67-A71 PolarHBondContact O-N 3.46Å
68L91Very high81Confident98 Ų98111.7 Ų111.751%0.51358%0.575SS.*Hα-helixtrans-66-43.6178.2-17760.2000111.1D65 A70 A71 I72D65-L68 HydrophobicContact CB-CB 3.61Å; D65-L68 PolarHBondContact O-N 3.39Å; L68-A70 PolarHBondContact O-N 2.89Å; L68-A71 PolarHBondContact O-N 3.38Å; L68-I72 HydrophobicContact CD1-CD1 4.17Å; L68-I72 HydrophobicContact CD1-CG1 4.4Å; L68-I72 HydrophobicContact CG-CD1 3.98Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 3Å
69R92.5Very high82.7Confident121 Ų121111.7 Ų111.746%0.45758%0.575SS.*Hα-helixtrans-60.6-44.1174.7-77.1-175.1-79.8129.4-6.2112.3D64 D65 Q73D64-R69 VanDerWaalsContact CG-CZ 3.47Å; D64-R69 VanDerWaalsContact CG-NH2 3.34Å; D64-R69 PolarHBondContact O-NH2 3.38Å; D64-R69 VanDerWaalsContact OD1-CD 3.31Å; D64-R69 WeakPolarHBondContact OD1-CD 3.44Å; D64-R69 IonicContact OD1-CZ 3.93Å; D64-R69 IonicContact OD1-NE 2.78Å; D64-R69 PolarHBondContact OD1-NE 2.91Å; D64-R69 IonicContact OD1-NH2 3.16Å; D64-R69 IonicContact OD2-CZ 3.72Å; D64-R69 VanDerWaalsContact OD2-CZ 3.24Å; D64-R69 IonicContact OD2-NE 3.31Å; D64-R69 PolarHBondContact OD2-NE 2.93Å; D64-R69 IonicContact OD2-NH1 3.95Å; D64-R69 IonicContact OD2-NH2 3.85Å; D64-R69 PolarHBondContact OD2-NH2 3.27Å; D65-R69 PolarHBondContact O-N 3.38Å; R69-Q73 WeakPolarHBondContact O-CB 3.43Å; R69-Q73 PolarHBondContact O-N 3.25Å
70A94.2Very high84.3Confident46 Ų46112.7 Ų112.738%0.3856%0.56SS.*Hα-helixtrans-63.4-43.4175.300000111.7R66 Y67 L68 Q73 E74R66-A70 VanDerWaalsContact O-CB 3.27Å; R66-A70 WeakPolarHBondContact O-CB 3.44Å; R66-A70 PolarHBondContact O-N 3.35Å; Y67-A70 PolarHBondContact O-N 2.86Å; L68-A70 PolarHBondContact O-N 2.89Å; A70-Q73 PolarHBondContact O-N 2.86Å; A70-E74 WeakPolarHBondContact O-CG 3.38Å; A70-E74 PolarHBondContact O-N 3.37Å
71A94.3Very high85.8Confident42 Ų42112.2 Ų112.235%0.34755%0.553SS.*Hα-helixtrans-61.5-47.9178.100000111.7Y67 L68 Q73 E74 Y75Y67-A71 WeakPolarHBondContact O-CB 3.48Å; Y67-A71 PolarHBondContact O-N 3.46Å; L68-A71 PolarHBondContact O-N 3.38Å; A71-Q73 VanDerWaalsContact C-N 3.3Å; A71-Q73 PolarHBondContact O-N 3.24Å; A71-E74 PolarHBondContact O-N 3.06Å; A71-Y75 WeakPolarHBondContact O-CD2 3.13Å; A71-Y75 PolarHBondContact O-N 3.41Å
72I92.2Very high87Confident91 Ų91104.4 Ų104.447%0.46752%0.524SS..Hα-helixtrans-58.6-44.2176.3-67.6166.2000110.6L68 E74 Y75 D76L68-I72 HydrophobicContact CD1-CD1 4.17Å; L68-I72 HydrophobicContact CD1-CG1 4.4Å; L68-I72 HydrophobicContact CG-CD1 3.98Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 3Å; I72-E74 PolarHBondContact O-N 3.3Å; I72-Y75 PolarHBondContact O-N 3.01Å; I72-D76 PolarHBondContact O-N 2.97Å
73Q95.5Very high88.1Confident117 Ų117102.6 Ų102.655%0.54751%0.506SS..Hα-helixtrans-61.8-40.5177.1-176.5175.93.800112.5R69 A70 A71 D76 N77R69-Q73 WeakPolarHBondContact O-CB 3.43Å; R69-Q73 PolarHBondContact O-N 3.25Å; A70-Q73 PolarHBondContact O-N 2.86Å; A71-Q73 VanDerWaalsContact C-N 3.3Å; A71-Q73 PolarHBondContact O-N 3.24Å; Q73-D76 PolarHBondContact O-N 3.22Å; Q73-N77 WeakPolarHBondContact O-CB 3.39Å; Q73-N77 PolarHBondContact O-N 3.4Å; Q73-N77 PolarHBondContact O-ND2 3.43Å; Q73-N77 PolarHBondContact O-OD1 3.45Å
74E92.6Very high88.9Confident108 Ų108100.5 Ų100.551%0.50549%0.493SS..Hα-helixtrans-64.8-40.3175.7-73-54.3128.100112.1A70 A71 I72 D76 N77 I78A70-E74 WeakPolarHBondContact O-CG 3.38Å; A70-E74 PolarHBondContact O-N 3.37Å; A71-E74 PolarHBondContact O-N 3.06Å; I72-E74 PolarHBondContact O-N 3.3Å; E74-D76 VanDerWaalsContact C-N 3.34Å; E74-D76 PolarHBondContact O-N 3.35Å; E74-N77 WeakPolarHBondContact O-CB 3.38Å; E74-N77 PolarHBondContact O-N 2.82Å; E74-N77 PolarHBondContact OE1-ND2 3.48Å; E74-I78 VanDerWaalsContact O-CG1 3.26Å; E74-I78 WeakPolarHBondContact O-CG1 3.42Å; E74-I78 PolarHBondContact O-N 2.91Å
75Y94.7Very high89Confident175 Ų17599.8 Ų99.869%0.68649%0.489SS*.Hα-helixtrans-59.1-44.4172.6-83.4-73.8000111.8A71 I72 I78 A79A71-Y75 WeakPolarHBondContact O-CD2 3.13Å; A71-Y75 PolarHBondContact O-N 3.41Å; I72-Y75 PolarHBondContact O-N 3.01Å; Y75-I78 PolarHBondContact O-N 3.16Å; Y75-A79 PolarHBondContact O-N 3.48Å
76D95.8Very high88.7Confident88 Ų88103.4 Ų103.447%0.47150%0.496SS..Hα-helixtrans-64.3-39.1175.2-78.4-13.2000112.5I72 Q73 E74 A79 K80I72-D76 PolarHBondContact O-N 2.97Å; Q73-D76 PolarHBondContact O-N 3.22Å; E74-D76 VanDerWaalsContact C-N 3.34Å; E74-D76 PolarHBondContact O-N 3.35Å; D76-A79 PolarHBondContact O-N 3.42Å; D76-K80 WeakPolarHBondContact O-CB 3.47Å; D76-K80 VanDerWaalsContact O-CG 3.27Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.44Å
77N93.1Very high88Confident61 Ų6199.8 Ų99.833%0.32649%0.488SS..Hα-helixtrans-62.1-45.5176.5-69.3-19.5000110.9Q73 E74 K80 L81Q73-N77 WeakPolarHBondContact O-CB 3.39Å; Q73-N77 PolarHBondContact O-N 3.4Å; Q73-N77 PolarHBondContact O-ND2 3.43Å; Q73-N77 PolarHBondContact O-OD1 3.45Å; E74-N77 WeakPolarHBondContact O-CB 3.38Å; E74-N77 PolarHBondContact O-N 2.82Å; E74-N77 PolarHBondContact OE1-ND2 3.48Å; N77-K80 PolarHBondContact O-N 3.17Å; N77-L81 WeakPolarHBondContact O-CB 3.43Å; N77-L81 PolarHBondContact O-N 3.11Å
78I88.4Confident87Confident110 Ų11090.8 Ų90.856%0.56445%0.454SS*.Hα-helixtrans-63.1-43.1177.4-67.5164.5000110.6E74 Y75 L81 G82E74-I78 VanDerWaalsContact O-CG1 3.26Å; E74-I78 WeakPolarHBondContact O-CG1 3.42Å; E74-I78 PolarHBondContact O-N 2.91Å; Y75-I78 PolarHBondContact O-N 3.16Å; I78-L81 PolarHBondContact O-N 3.35Å; I78-G82 PolarHBondContact O-N 3.28Å
79A89.6Confident85.8Confident61 Ų6192.2 Ų92.250%0.50447%0.47SS..Hα-helixtrans-62.4-45.3177.200000112.1Y75 D76 G82 Q83Y75-A79 PolarHBondContact O-N 3.48Å; D76-A79 PolarHBondContact O-N 3.42Å; A79-G82 PolarHBondContact O-N 3Å; A79-Q83 PolarHBondContact O-N 3.4Å
80K87.5Confident84.3Confident127 Ų12790.8 Ų90.855%0.55247%0.47SS*.Hα-helixtrans-60.5-43.4174.5-73.7168.7-173.6166.20111.7D76 N77 Q83 I84D76-K80 WeakPolarHBondContact O-CB 3.47Å; D76-K80 VanDerWaalsContact O-CG 3.27Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.44Å; N77-K80 PolarHBondContact O-N 3.17Å; K80-Q83 WeakPolarHBondContact O-CB 3.46Å; K80-Q83 PolarHBondContact O-N 3.18Å; K80-Q83 VanDerWaalsContact O-N 3.16Å; K80-I84 WeakPolarHBondContact O-CG1 3.38Å; K80-I84 PolarHBondContact O-N 3.3Å
81L84.4Confident82.8Confident99 Ų9994.2 Ų94.252%0.51848%0.477SS..Hα-helixtrans-62-44.6176.4-178.761.9000111.2N77 I78 Q83 I84 I85N77-L81 WeakPolarHBondContact O-CB 3.43Å; N77-L81 PolarHBondContact O-N 3.11Å; I78-L81 PolarHBondContact O-N 3.35Å; L81-Q83 PolarHBondContact O-N 3.02Å; L81-I84 PolarHBondContact O-N 3.01Å; L81-I84 VanDerWaalsContact O-N 3.12Å; L81-I85 HydrophobicContact CD1-CD1 4.18Å; L81-I85 HydrophobicContact CD1-CG1 4.35Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 HydrophobicContact CG-CG1 4.47Å; L81-I85 VanDerWaalsContact O-CG1 3.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.45Å; L81-I85 PolarHBondContact O-N 3.12Å
82G84.6Confident81.4Confident17 Ų1794.4 Ų94.418%0.17548%0.483CS..Hα-helixtrans-56.8-39173.800000112.4I78 A79 I85 R86I78-G82 PolarHBondContact O-N 3.28Å; A79-G82 PolarHBondContact O-N 3Å; G82-I85 PolarHBondContact O-N 2.75Å; G82-R86 WeakPolarHBondContact O-CG 3.24Å; G82-R86 PolarHBondContact O-N 3.5Å; G82-R86 VanDerWaalsContact O-N 3.08Å
83Q83.9Confident80.4Confident74 Ų7493.5 Ų93.535%0.34648%0.484SS..Hα-helixtrans-68.5-40.6174.9-164.4647.300112.7A79 K80 L81 I85 R86 E87 G88A79-Q83 PolarHBondContact O-N 3.4Å; K80-Q83 WeakPolarHBondContact O-CB 3.46Å; K80-Q83 PolarHBondContact O-N 3.18Å; K80-Q83 VanDerWaalsContact O-N 3.16Å; L81-Q83 PolarHBondContact O-N 3.02Å; Q83-I85 VanDerWaalsContact C-N 3.32Å; Q83-I85 PolarHBondContact O-N 3.26Å; Q83-R86 PolarHBondContact O-N 3.3Å; Q83-E87 HydrophobicContact CG-CB 4.48Å; Q83-E87 PolarHBondContact NE2-OE1 3.45Å; Q83-E87 PolarHBondContact NE2-OE2 2.8Å; Q83-E87 CarbonylContact O-C 3.56Å; Q83-E87 WeakPolarHBondContact O-CA 3.36Å; Q83-E87 WeakPolarHBondContact O-CB 3.18Å; Q83-E87 PolarHBondContact O-N 3.5Å; Q83-G88 PolarHBondContact O-N 3.15Å
84I79.8Confident79.5Confident82 Ų8292.6 Ų92.642%0.42148%0.483SS..Hα-helixtrans-64.7-39.1176.3-67.1164.2000110.8K80 L81 G88K80-I84 WeakPolarHBondContact O-CG1 3.38Å; K80-I84 PolarHBondContact O-N 3.3Å; L81-I84 PolarHBondContact O-N 3.01Å; L81-I84 VanDerWaalsContact O-N 3.12Å; I84-G88 WeakPolarHBondContact O-CA 3.26Å; I84-G88 PolarHBondContact O-N 3.33Å
85I73.3Confident78.9Confident102 Ų10292.4 Ų92.452%0.52349%0.485SS..Hα-helixtrans-66.2-43.2178.4-68.1167.9000111.2L81 G82 Q83L81-I85 HydrophobicContact CD1-CD1 4.18Å; L81-I85 HydrophobicContact CD1-CG1 4.35Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 HydrophobicContact CG-CG1 4.47Å; L81-I85 VanDerWaalsContact O-CG1 3.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.45Å; L81-I85 PolarHBondContact O-N 3.12Å; G82-I85 PolarHBondContact O-N 2.75Å; Q83-I85 VanDerWaalsContact C-N 3.32Å; Q83-I85 PolarHBondContact O-N 3.26Å
86R76.7Confident78.3Confident160 Ų16090.7 Ų90.760%0.60448%0.481SS*.Hα-helixtrans-79.1-45.4-179.7-68.1-174.8-60.3-94.5-2.6113.2G82 Q83G82-R86 WeakPolarHBondContact O-CG 3.24Å; G82-R86 PolarHBondContact O-N 3.5Å; G82-R86 VanDerWaalsContact O-N 3.08Å; Q83-R86 PolarHBondContact O-N 3.3Å
87E75.4Confident77.8Confident119 Ų11990 Ų9056%0.55648%0.48SS*.Hα-helixtrans-125.7-6.6-164.4-72.3-173.8-138.300114.7Q83 K91Q83-E87 HydrophobicContact CG-CB 4.48Å; Q83-E87 PolarHBondContact NE2-OE1 3.45Å; Q83-E87 PolarHBondContact NE2-OE2 2.8Å; Q83-E87 CarbonylContact O-C 3.56Å; Q83-E87 WeakPolarHBondContact O-CA 3.36Å; Q83-E87 WeakPolarHBondContact O-CB 3.18Å; Q83-E87 PolarHBondContact O-N 3.5Å; E87-K91 WeakPolarHBondContact O-CE 3.31Å; E87-K91 PolarHBondContact O-NZ 3.12Å
88G67.7Low77.7Confident8 Ų891.2 Ų91.28%0.08249%0.489CS..SBendtrans-72.7159.9178.600000114.2Q83 I84 I90 K91Q83-G88 PolarHBondContact O-N 3.15Å; I84-G88 WeakPolarHBondContact O-CA 3.26Å; I84-G88 PolarHBondContact O-N 3.33Å; G88-I90 PolarHBondContact O-N 3.33Å; G88-I90 VanDerWaalsContact O-N 3.08Å; G88-K91 WeakPolarHBondContact O-CB 3.4Å; G88-K91 WeakPolarHBondContact O-CD 3.39Å; G88-K91 VanDerWaalsContact O-CE 3.24Å; G88-K91 WeakPolarHBondContact O-CE 3.38Å; G88-K91 WeakPolarHBondContact O-CG 3.34Å; G88-K91 PolarHBondContact O-N 2.99Å; G88-K91 VanDerWaalsContact O-N 3.09Å
89P65.2Low77.8Confident128 Ų12890.3 Ų90.383%0.83149%0.485SS*.THydrogen-bonded Turntrans-64.7-13.3178.525.9-33.1000113.6K91P89-K91 PolarHBondContact O-N 3.4Å
90I62Low77.9Confident92 Ų9293.1 Ų93.147%0.47249%0.488SS..THydrogen-bonded Turntrans-9021176.7-45.8178.7000110.6G88 G92 L94G88-I90 PolarHBondContact O-N 3.33Å; G88-I90 VanDerWaalsContact O-N 3.08Å; I90-G92 PolarHBondContact O-N 3.21Å; I90-L94 HydrophobicContact CG2-CB 3.43Å; I90-L94 VanDerWaalsContact CG2-CB 3.43Å; I90-L94 HydrophobicContact CG2-CD2 3.58Å; I90-L94 HydrophobicContact CG2-CG 4.16Å
91K62.5Low78.3Confident118 Ų11891.3 Ų91.351%0.51348%0.484SS..  trans-48.2101.7178.2-95.8151.3-164.8171.10112.3E87 G88 P89 S93E87-K91 WeakPolarHBondContact O-CE 3.31Å; E87-K91 PolarHBondContact O-NZ 3.12Å; G88-K91 WeakPolarHBondContact O-CB 3.4Å; G88-K91 WeakPolarHBondContact O-CD 3.39Å; G88-K91 VanDerWaalsContact O-CE 3.24Å; G88-K91 WeakPolarHBondContact O-CE 3.38Å; G88-K91 WeakPolarHBondContact O-CG 3.34Å; G88-K91 PolarHBondContact O-N 2.99Å; G88-K91 VanDerWaalsContact O-N 3.09Å; P89-K91 PolarHBondContact O-N 3.4Å; K91-S93 PolarHBondContact O-N 2.65Å
92G63.8Low78.8Confident46 Ų4693.6 Ų93.647%0.47449%0.487SS..SBendtrans67.5-28.2165.700000117I90 K96I90-G92 PolarHBondContact O-N 3.21Å; G92-K96 WeakPolarHBondContact O-CA 3.29Å; G92-K96 WeakPolarHBondContact O-CB 3.44Å; G92-K96 PolarHBondContact O-N 2.89Å
93S72.1Confident79.3Confident72 Ų7297.2 Ų97.250%0.50350%0.501SS..Hα-helixtrans-70.5-47.9-175.859.40000112.2K91 K96 V97K91-S93 PolarHBondContact O-N 2.65Å; S93-K96 WeakPolarHBondContact O-CB 3.27Å; S93-K96 PolarHBondContact O-N 3.01Å; S93-V97 VanDerWaalsContact O-CG2 3.29Å; S93-V97 WeakPolarHBondContact O-CG2 3.46Å; S93-V97 PolarHBondContact O-N 3.31Å
94L77.2Confident79.8Confident97 Ų97101.6 Ų101.651%0.50852%0.515SS..Hα-helixtrans-65-44.4177.3-17563.9000111.1I90 K96 V97 V98I90-L94 HydrophobicContact CG2-CB 3.43Å; I90-L94 VanDerWaalsContact CG2-CB 3.43Å; I90-L94 HydrophobicContact CG2-CD2 3.58Å; I90-L94 HydrophobicContact CG2-CG 4.16Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 2.78Å; L94-V97 PolarHBondContact O-N 2.91Å; L94-V98 WeakPolarHBondContact O-CG2 3.32Å; L94-V98 PolarHBondContact O-N 3.4Å
95L79.3Confident80.6Confident104 Ų104103.1 Ų103.155%0.54552%0.523SS..Hα-helixtrans-61.8-39.7176-176.461.5000111.3V98 L99L95-V98 PolarHBondContact O-N 3.25Å; L95-L99 HydrophobicContact CD1-CD1 4.31Å; L95-L99 HydrophobicContact CD1-CG 4.47Å; L95-L99 HydrophobicContact CG-CD1 4.02Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 2.92Å
96K81.6Confident81.7Confident139 Ų139104.8 Ų104.860%0.60453%0.526SS*.Hα-helixtrans-62.6-45.1174.5-179179.9178.9-176.20111.5G92 S93 L94 L99 E100G92-K96 WeakPolarHBondContact O-CA 3.29Å; G92-K96 WeakPolarHBondContact O-CB 3.44Å; G92-K96 PolarHBondContact O-N 2.89Å; S93-K96 WeakPolarHBondContact O-CB 3.27Å; S93-K96 PolarHBondContact O-N 3.01Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 2.78Å; K96-L99 PolarHBondContact O-N 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.49Å; K96-E100 PolarHBondContact O-N 3.23Å
97V86.6Confident82.6Confident74 Ų74104.5 Ų104.545%0.44853%0.53SS..Hα-helixtrans-60.5-47.9176.6170.30000110.5S93 L94 L99 E100 D101S93-V97 VanDerWaalsContact O-CG2 3.29Å; S93-V97 WeakPolarHBondContact O-CG2 3.46Å; S93-V97 PolarHBondContact O-N 3.31Å; L94-V97 PolarHBondContact O-N 2.91Å; V97-L99 PolarHBondContact O-N 3.27Å; V97-E100 PolarHBondContact O-N 3.49Å; V97-D101 WeakPolarHBondContact O-CB 3.31Å; V97-D101 PolarHBondContact O-N 2.86Å
98V89.7Confident83.5Confident86 Ų86102.2 Ų102.252%0.52152%0.521SS..Hα-helixtrans-61-43.8178.3172.70000111.5L94 L95 Y102L94-V98 WeakPolarHBondContact O-CG2 3.32Å; L94-V98 PolarHBondContact O-N 3.4Å; L95-V98 PolarHBondContact O-N 3.25Å; V98-Y102 WeakPolarHBondContact O-CB 3.3Å; V98-Y102 PolarHBondContact O-N 3.33Å
99L90.1Very high84.7Confident91 Ų91108 Ų10848%0.47654%0.544SS..Hα-helixtrans-66.4-40.7176.3-76.7167.8000112L95 K96 V97 Y102 L103L95-L99 HydrophobicContact CD1-CD1 4.31Å; L95-L99 HydrophobicContact CD1-CG 4.47Å; L95-L99 HydrophobicContact CG-CD1 4.02Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 2.92Å; K96-L99 PolarHBondContact O-N 3.3Å; V97-L99 PolarHBondContact O-N 3.27Å; L99-Y102 PolarHBondContact O-N 3.37Å; L99-L103 WeakPolarHBondContact O-CD1 3.39Å; L99-L103 PolarHBondContact O-N 3.32Å
100E92.7Very high86Confident121 Ų121104.1 Ų104.157%0.56552%0.523SS*.Hα-helixtrans-63.7-43.7178-173.9167.8-175.100111.4K96 V97 L103 R104K96-E100 WeakPolarHBondContact O-CB 3.49Å; K96-E100 PolarHBondContact O-N 3.23Å; V97-E100 PolarHBondContact O-N 3.49Å; E100-L103 PolarHBondContact O-N 2.81Å; E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.22Å; E100-R104 PolarHBondContact O-N 2.97Å
101D95Very high87.4Confident88 Ų88104.7 Ų104.747%0.47152%0.523SS..Hα-helixtrans-63.4-43.3174.5-80.3-20.4000111.9V97 L103 R104 L105V97-D101 WeakPolarHBondContact O-CB 3.31Å; V97-D101 PolarHBondContact O-N 2.86Å; D101-L103 PolarHBondContact O-N 3.18Å; D101-R104 PolarHBondContact O-N 3.44Å; D101-L105 WeakPolarHBondContact O-CB 3.38Å; D101-L105 PolarHBondContact O-N 3.18Å
102Y95.3Very high88.8Confident148 Ų148107.1 Ų107.158%0.5853%0.529SS*.Hα-helixtrans-60.6-46174.8175.6-109.1000112V98 L99 L105 K106V98-Y102 WeakPolarHBondContact O-CB 3.3Å; V98-Y102 PolarHBondContact O-N 3.33Å; L99-Y102 PolarHBondContact O-N 3.37Å; Y102-L105 PolarHBondContact O-N 3.31Å; Y102-K106 WeakPolarHBondContact O-CB 3.37Å; Y102-K106 PolarHBondContact O-N 2.81Å
103L95.2Very high90.1Very high92 Ų92110.2 Ų110.248%0.48253%0.533SS..Hα-helixtrans-65.6-38.8177.1-92.677.9000111.9L99 E100 D101 K106 K107L99-L103 WeakPolarHBondContact O-CD1 3.39Å; L99-L103 PolarHBondContact O-N 3.32Å; E100-L103 PolarHBondContact O-N 2.81Å; D101-L103 PolarHBondContact O-N 3.18Å; L103-K106 PolarHBondContact O-N 2.93Å; L103-K107 WeakPolarHBondContact O-CG 3.29Å; L103-K107 PolarHBondContact O-N 2.99Å
104R95.3Very high90.9Very high167 Ų167111.6 Ų111.663%0.6354%0.538SS*.Hα-helixtrans-63.8-44.4176.4-176.4-179.6175.4-162.6-0.7111.1E100 D101 K107 L108E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.22Å; E100-R104 PolarHBondContact O-N 2.97Å; D101-R104 PolarHBondContact O-N 3.44Å; R104-K107 PolarHBondContact O-N 3.11Å; R104-L108 PolarHBondContact O-N 2.65Å
105L96.5Very high91.2Very high114 Ų114112 Ų11260%0.59754%0.537SS*.Hα-helixtrans-63.2-43.6176-173.762000111.3D101 Y102 K107 L108 F109D101-L105 WeakPolarHBondContact O-CB 3.38Å; D101-L105 PolarHBondContact O-N 3.18Å; Y102-L105 PolarHBondContact O-N 3.31Å; L105-K107 VanDerWaalsContact C-N 3.32Å; L105-K107 PolarHBondContact O-N 3.14Å; L105-L108 PolarHBondContact O-N 3.15Å; L105-F109 WeakPolarHBondContact O-CB 3.3Å; L105-F109 PolarHBondContact O-N 2.95Å
106K95.5Very high91.5Very high136 Ų136114.8 Ų114.859%0.59155%0.545SS*.Hα-helixtrans-57.9-42175.3-172.6178.4-179.8179.80112.1Y102 L103 A110Y102-K106 WeakPolarHBondContact O-CB 3.37Å; Y102-K106 PolarHBondContact O-N 2.81Å; L103-K106 PolarHBondContact O-N 2.93Å; K106-A110 WeakPolarHBondContact O-CB 3.46Å; K106-A110 PolarHBondContact O-N 3.06Å
107K95.2Very high91.1Very high155 Ų155110.9 Ų110.967%0.67454%0.539SS*.Hα-helixtrans-65.1-46.2175.8-74.9178.7-178.4179.80112.4L103 R104 L105 F109 A110 Q111L103-K107 WeakPolarHBondContact O-CG 3.29Å; L103-K107 PolarHBondContact O-N 2.99Å; R104-K107 PolarHBondContact O-N 3.11Å; L105-K107 VanDerWaalsContact C-N 3.32Å; L105-K107 PolarHBondContact O-N 3.14Å; K107-F109 VanDerWaalsContact C-N 3.3Å; K107-F109 PolarHBondContact O-N 3.46Å; K107-A110 PolarHBondContact O-N 3.35Å; K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 PolarHBondContact O-N 2.66Å
108L94.3Very high90.2Very high70 Ų70110.8 Ų110.837%0.36654%0.541SS..Hα-helixtrans-62.4-38.9177.3-77.6173.3000112.1R104 L105 Q111 R112R104-L108 PolarHBondContact O-N 2.65Å; L105-L108 PolarHBondContact O-N 3.15Å; L108-Q111 PolarHBondContact O-N 3.07Å; L108-R112 WeakPolarHBondContact O-CB 3.04Å; L108-R112 WeakPolarHBondContact O-CG 3.2Å; L108-R112 PolarHBondContact O-N 2.92Å
109F93.4Very high88.8Confident129 Ų129110.1 Ų110.157%0.56654%0.54SS*.Hα-helixtrans-64.3-47.3175.7-175.6-97.6000111.4L105 K107 Q111 R112 M113L105-F109 WeakPolarHBondContact O-CB 3.3Å; L105-F109 PolarHBondContact O-N 2.95Å; K107-F109 VanDerWaalsContact C-N 3.3Å; K107-F109 PolarHBondContact O-N 3.46Å; F109-Q111 PolarHBondContact O-N 3.49Å; F109-R112 PolarHBondContact O-N 3.43Å; F109-M113 HydrophobicContact CD1-CE 4.27Å; F109-M113 HydrophobicContact CD1-CG 4.28Å; F109-M113 HydrophobicContact CD1-SD 4.29Å; F109-M113 HydrophobicContact CE1-CE 3.84Å; F109-M113 HydrophobicContact CE1-CG 3.9Å; F109-M113 HydrophobicContact CE1-SD 3.49Å; F109-M113 WeakPolarHBondContact CE1-SD 3.33Å; F109-M113 HydrophobicContact CZ-CG 4.11Å; F109-M113 HydrophobicContact CZ-SD 3.85Å; F109-M113 WeakPolarHBondContact O-CG 3.27Å; F109-M113 PolarHBondContact O-N 2.89Å
110A93.2Very high86.9Confident47 Ų47109.9 Ų109.939%0.38855%0.545SS..Hα-helixtrans-59.3-45.4175.300000111.8K106 K107 R112 M113 V114K106-A110 WeakPolarHBondContact O-CB 3.46Å; K106-A110 PolarHBondContact O-N 3.06Å; K107-A110 PolarHBondContact O-N 3.35Å; A110-R112 PolarHBondContact O-N 3.35Å; A110-M113 PolarHBondContact O-N 2.92Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å; A110-V114 PolarHBondContact O-N 3.45Å
111Q91.2Very high84.8Confident104 Ų104110.9 Ų110.949%0.48655%0.55SS..Hα-helixtrans-60.3-44.4176.1-177.7179.7-14.900111.8K107 L108 F109 M113 V114 Q115K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 PolarHBondContact O-N 2.66Å; L108-Q111 PolarHBondContact O-N 3.07Å; F109-Q111 PolarHBondContact O-N 3.49Å; Q111-M113 PolarHBondContact O-N 3.04Å; Q111-V114 PolarHBondContact O-N 2.9Å; Q111-Q115 HydrophobicContact CG-CG 4.44Å; Q111-Q115 WeakPolarHBondContact O-CB 3.47Å; Q111-Q115 WeakPolarHBondContact O-CG 3.42Å; Q111-Q115 PolarHBondContact O-N 3.43Å
112R92.1Very high82.6Confident170 Ų170110.1 Ų110.164%0.64255%0.552SS**Hα-helixtrans-63.7-38.5176.5-81.9-175.5174.8133.7-2.5112.4L108 F109 A110 K116L108-R112 WeakPolarHBondContact O-CB 3.04Å; L108-R112 WeakPolarHBondContact O-CG 3.2Å; L108-R112 PolarHBondContact O-N 2.92Å; F109-R112 PolarHBondContact O-N 3.43Å; A110-R112 PolarHBondContact O-N 3.35Å; R112-K116 VanDerWaalsContact O-CB 3.24Å; R112-K116 WeakPolarHBondContact O-CB 3.46Å; R112-K116 PolarHBondContact O-N 3.37Å
113M90.2Very high80.2Confident110 Ų110107.6 Ų107.654%0.54256%0.556SS.*Hα-helixtrans-64.3-42.7174.9-71.1-153.5-54.500111.8F109 A110 Q111 K116 A117F109-M113 HydrophobicContact CD1-CE 4.27Å; F109-M113 HydrophobicContact CD1-CG 4.28Å; F109-M113 HydrophobicContact CD1-SD 4.29Å; F109-M113 HydrophobicContact CE1-CE 3.84Å; F109-M113 HydrophobicContact CE1-CG 3.9Å; F109-M113 HydrophobicContact CE1-SD 3.49Å; F109-M113 WeakPolarHBondContact CE1-SD 3.33Å; F109-M113 HydrophobicContact CZ-CG 4.11Å; F109-M113 HydrophobicContact CZ-SD 3.85Å; F109-M113 WeakPolarHBondContact O-CG 3.27Å; F109-M113 PolarHBondContact O-N 2.89Å; A110-M113 PolarHBondContact O-N 2.92Å; Q111-M113 PolarHBondContact O-N 3.04Å; M113-K116 PolarHBondContact O-N 3.4Å; M113-A117 PolarHBondContact O-N 2.94Å
114V89.2Confident77.7Confident102 Ų102110 Ų11062%0.61857%0.567SS**Hα-helixtrans-65.3-44.9176.6173.80000111.3A110 Q111 K116 A117 S118A110-V114 WeakPolarHBondContact O-CG2 3.42Å; A110-V114 PolarHBondContact O-N 3.45Å; Q111-V114 PolarHBondContact O-N 2.9Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.17Å; V114-A117 PolarHBondContact O-N 3.47Å; V114-S118 PolarHBondContact O-N 2.96Å
115Q84.5Confident75.3Confident104 Ų104105.6 Ų105.649%0.48656%0.562SS.*Hα-helixtrans-63.9-37.3175.9-75.7-178.4-19.600112.2Q111 A117 S118 S119Q111-Q115 HydrophobicContact CG-CG 4.44Å; Q111-Q115 WeakPolarHBondContact O-CB 3.47Å; Q111-Q115 WeakPolarHBondContact O-CG 3.42Å; Q111-Q115 PolarHBondContact O-N 3.43Å; Q115-A117 VanDerWaalsContact C-N 3.34Å; Q115-S118 PolarHBondContact O-N 3.06Å; Q115-S118 PolarHBondContact O-OG 3.27Å; Q115-S119 WeakPolarHBondContact O-CB 3.45Å; Q115-S119 PolarHBondContact O-N 3.48Å
116K83.7Confident73.1Confident164 Ų164108.6 Ų108.671%0.71357%0.573SS**Hα-helixtrans-66-39.1175.3-170171-176.1177.10111.2R112 M113 V114 C120R112-K116 VanDerWaalsContact O-CB 3.24Å; R112-K116 WeakPolarHBondContact O-CB 3.46Å; R112-K116 PolarHBondContact O-N 3.37Å; M113-K116 PolarHBondContact O-N 3.4Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.17Å; K116-C120 PolarHBondContact O-N 3.37Å; K116-C120 PolarHBondContact O-SG 3.1Å
117A74.4Confident70.7Confident57 Ų57111.3 Ų111.347%0.47159%0.588SS.*Hα-helixtrans-67.3-41.4173.600000112.3M113 V114 Q115 C120 H121M113-A117 PolarHBondContact O-N 2.94Å; V114-A117 PolarHBondContact O-N 3.47Å; Q115-A117 VanDerWaalsContact C-N 3.34Å; A117-C120 PolarHBondContact O-N 3.41Å; A117-H121 PolarHBondContact O-CD2 2.89Å
118S66.8Low68.4Low71 Ų71110.9 Ų110.950%0.49759%0.592SS.*Hα-helixtrans-73.4-33.6179840000112.9V114 Q115 C120 H121V114-S118 PolarHBondContact O-N 2.96Å; Q115-S118 PolarHBondContact O-N 3.06Å; Q115-S118 PolarHBondContact O-OG 3.27Å; S118-C120 PolarHBondContact O-N 3.42Å; S118-H121 PolarHBondContact O-N 2.69Å
119S60.3Low66.2Low72 Ų72114.3 Ų114.350%0.50361%0.609SS.*Hα-helixtrans-63.9-25.7175.51800000112Q115 H121Q115-S119 WeakPolarHBondContact O-CB 3.45Å; Q115-S119 PolarHBondContact O-N 3.48Å; S119-H121 PolarHBondContact O-N 3.07Å
120C51.7Low63.7Low86 Ų86117.2 Ų117.258%0.58163%0.625SS**Hα-helixtrans-76.3-2.6174.5-67.40000114K116 A117 S118K116-C120 PolarHBondContact O-N 3.37Å; K116-C120 PolarHBondContact O-SG 3.1Å; A117-C120 PolarHBondContact O-N 3.41Å; S118-C120 PolarHBondContact O-N 3.42Å
121H48.5Very low61.7Low142 Ų142120.6 Ų120.666%0.65764%0.64SS**Hα-helixtrans-109.1-14.6174.8-63-64000113.8A117 S118 S119A117-H121 PolarHBondContact O-CD2 2.89Å; S118-H121 PolarHBondContact O-N 2.69Å; S119-H121 PolarHBondContact O-N 3.07Å
122S48.2Very low59.3Low73 Ų73122.8 Ų122.851%0.5166%0.655SS.*Hα-helixtrans-92.5-26.1-176.1169.80000113.7
123S44Very low57.6Low95 Ų95122.1 Ų122.166%0.66466%0.664SS**SBendtrans-936.5-175.258.10000115.7
124I42.9Very low55.6Low141 Ų141124.7 Ų124.772%0.72368%0.675SS**SBendtrans-128.2-0.1-179.9-73.5171.1000112.9
125S45.7Very low53.6Low76 Ų76127.2 Ų127.253%0.53168%0.679SS.*SBendtrans-123.9-1.1-170.5-56.80000116.3
126E49.2Very low52.1Low177 Ų177130.1 Ų130.183%0.82769%0.693SS**THydrogen-bonded Turntrans-87.8-0.3178.8-76.3-174.6174.500115
127E45.2Very low50.2Low193 Ų193127.3 Ų127.390%0.90269%0.691SS**THydrogen-bonded Turntrans-105.1-0.4-179.3-147.7179.1-178.500114.6
128L48.1Very low48.5Very low146 Ų146127.4 Ų127.476%0.76470%0.698SS**SBendtrans-125.1-1.7-164.9-84.3175.8000118.9
129I48.4Very low47Very low141 Ų141131.7 Ų131.772%0.72372%0.715SS**  trans-138.380-173.2-46.1178.6000111.6
130H40.1Very low46.4Very low191 Ų191136.8 Ų136.888%0.88473%0.731SS**  trans-91.580.3159.9-159.789.9000107.7
131T50.6Low45.8Very low117 Ų117138.5 Ų138.572%0.71874%0.744SS**  trans-158.7119.3165.739.30000110.2
132D42.2Very low46.1Very low150 Ų150138 Ų13880%0.80275%0.753SS**  trans-52.4144.1176.2-50.9-74000114.2
133L56.2Low45.9Very low157 Ų157138 Ų13882%0.82276%0.764SS**  158130.5119.7-125.990.9000111.5
134E48.4Very low46.1Very low164 Ų164143 Ų14377%0.76678%0.778SS**  trans13.5152.9141.6-63.1-153.3153.400120.8
135E46.1Very low46.1Very low154 Ų154139.9 Ų139.972%0.7278%0.78SS**  cis-175.8152.4-2.2164.8177.1138.100105.4
136E52.7Low45.9Very low165 Ų165141.1 Ų141.177%0.77179%0.789SS**  trans78.7139.5162.5-87-80.311500123
137P44.1Very low46.2Very low105 Ų105139.3 Ų139.368%0.68278%0.784SS**  trans-95.8133.5-17037.6-26000112.5
138G39.8Very low46.4Very low59 Ų59140.1 Ų140.161%0.60878%0.779SS**  trans-137.6127.7177.700000112.1H140G138-H140 PolarHBondContact O-N 3.15Å
139D35.3Very low46.5Very low161 Ų161140 Ų14086%0.86177%0.772SS**  trans-37.7110176.7-79.1-47.2000115.6
140H46.6Very low46.4Very low180 Ų180144.3 Ų144.383%0.83378%0.78SS**  trans-135.5104161.9-66.8-45.7000111.4G138G138-H140 PolarHBondContact O-N 3.15Å
141S39.6Very low46.9Very low121 Ų121142.9 Ų142.985%0.84677%0.773SS**PPolyproline II helixtrans-70.2124.6166-61.60000109.9G143S141-G143 PolarHBondContact O-N 2.86Å
142P55.7Low47.2Very low131 Ų131146.7 Ų146.785%0.85178%0.78SS**PPolyproline II helixtrans-82.1119.4170.730.1-27.6000109.7
143G44.1Very low47.7Very low73 Ų73144.9 Ų144.975%0.75378%0.776SS**PPolyproline II helixtrans-62.2160.7-171.400000116.5S141 G145S141-G143 PolarHBondContact O-N 2.86Å; G143-G145 PolarHBondContact O-N 3.13Å; G143-G145 VanDerWaalsContact O-N 3.12Å
144Q46.5Very low47.7Very low202 Ų202143.4 Ų143.494%0.94478%0.776SS**  trans-48.2108.1176.5-70.1170.7-49.700112.8S146Q144-S146 PolarHBondContact O-N 3.29Å
145G42.9Very low48.1Very low75 Ų75143 Ų14377%0.77378%0.775SS**  trans-78101.1167.600000111G143 L147G143-G145 PolarHBondContact O-N 3.13Å; G143-G145 VanDerWaalsContact O-N 3.12Å; G145-L147 PolarHBondContact O-N 3.28Å
146S42.2Very low48.6Very low102 Ų102143 Ų14371%0.71378%0.775SS**  trans-71.7106.6168.6-1770000109.8Q144 R148Q144-S146 PolarHBondContact O-N 3.29Å; S146-R148 PolarHBondContact O-N 3.44Å
147L54.6Low48.9Very low138 Ų138140.9 Ų140.972%0.72377%0.769SS**  trans-74.690172.6-100.5159.7000109.7G145 F149G145-L147 PolarHBondContact O-N 3.28Å; L147-F149 HydrophobicContact CB-CD2 4.45Å; L147-F149 HydrophobicContact CB-CE2 3.96Å; L147-F149 HydrophobicContact CD1-CE2 4.5Å; L147-F149 HydrophobicContact CD1-CZ 4.45Å; L147-F149 HydrophobicContact CD2-CE1 4.22Å; L147-F149 HydrophobicContact CD2-CE2 4.03Å; L147-F149 HydrophobicContact CD2-CZ 3.75Å; L147-F149 HydrophobicContact CG-CE2 4.39Å; L147-F149 HydrophobicContact CG-CZ 4.47Å; L147-F149 PolarHBondContact O-N 2.78Å
148R51.2Low49.4Very low210 Ų210144.4 Ų144.479%0.79277%0.774SS**  trans-84.596171.9-61.7-176.792170.18.6109.4S146 R150S146-R148 PolarHBondContact O-N 3.44Å; R148-R150 PolarHBondContact O-N 2.62Å
149F48.9Very low50Low145 Ų145143.4 Ų143.464%0.63676%0.763SS**  trans-74.4114.7169.7-65.2-84.1000110.1L147 H151L147-F149 HydrophobicContact CB-CD2 4.45Å; L147-F149 HydrophobicContact CB-CE2 3.96Å; L147-F149 HydrophobicContact CD1-CE2 4.5Å; L147-F149 HydrophobicContact CD1-CZ 4.45Å; L147-F149 HydrophobicContact CD2-CE1 4.22Å; L147-F149 HydrophobicContact CD2-CE2 4.03Å; L147-F149 HydrophobicContact CD2-CZ 3.75Å; L147-F149 HydrophobicContact CG-CE2 4.39Å; L147-F149 HydrophobicContact CG-CZ 4.47Å; L147-F149 PolarHBondContact O-N 2.78Å; F149-H151 VanDerWaalsContact CB-NE2 3.29Å; F149-H151 WeakPolarHBondContact CB-NE2 3.48Å
150R47.3Very low51.3Low231 Ų231145.8 Ų145.887%0.87277%0.769SS**  trans-89100167.6-71.1-76.1-161.8176.83.7107.9R148R148-R150 PolarHBondContact O-N 2.62Å
151H49.9Very low51.6Low160 Ų160144.1 Ų144.174%0.74177%0.766SS**PPolyproline II helixtrans-83.9125.9172.4-64.6-107.2000109.2F149F149-H151 VanDerWaalsContact CB-NE2 3.29Å; F149-H151 WeakPolarHBondContact CB-NE2 3.48Å
152K57.1Low52.3Low198 Ų198141 Ų14186%0.86175%0.753SS**PPolyproline II helixtrans-85.8130.7166.8-83.3-178.1174.7179.20108.4
153P52.4Low51.9Low112 Ų112140.9 Ų140.973%0.72774%0.744SS**PPolyproline II helixtrans-60.1149.2173.124.4-31.3000110.4M155P153-M155 PolarHBondContact O-N 3.04Å; P153-M155 VanDerWaalsContact O-N 3.13Å
154P56.3Low52.4Low126 Ų126142.9 Ų142.982%0.81873%0.733SS**PPolyproline II helixtrans-56.1120.3177.3-19.230.1000109.8E156P154-E156 PolarHBondContact O-N 3.11Å
155M56.9Low52.5Low154 Ų154141.4 Ų141.476%0.75973%0.728SS**PPolyproline II helixtrans-78.7116.5177179.516359.700108.9P153 L157P153-M155 PolarHBondContact O-N 3.04Å; P153-M155 VanDerWaalsContact O-N 3.13Å; M155-L157 HydrophobicContact CE-CD2 4.13Å; M155-L157 HydrophobicContact CG-CD2 4.19Å; M155-L157 PolarHBondContact O-N 2.84Å; M155-L157 HydrophobicContact SD-CD2 4.38Å
156E57.3Low53.1Low154 Ų154143.2 Ų143.272%0.7273%0.725SS**  trans-70.2110.2170.5-67.2-169.6-171.900109.6P154 H164P154-E156 PolarHBondContact O-N 3.11Å; E156-H164 IonicContact OE2-CE1 3.52Å
157L57.4Low53.7Low122 Ų122146.8 Ų146.864%0.63973%0.729SS**  trans-90.7114.5170-67.1178.3000109.2M155 G159M155-L157 HydrophobicContact CE-CD2 4.13Å; M155-L157 HydrophobicContact CG-CD2 4.19Å; M155-L157 PolarHBondContact O-N 2.84Å; M155-L157 HydrophobicContact SD-CD2 4.38Å; L157-G159 PolarHBondContact O-N 3.31Å; L157-G159 VanDerWaalsContact O-N 3.16Å
158K55.4Low53.4Low179 Ų179142.6 Ų142.678%0.77872%0.72SS**  trans-70.7102.2174-166.589.3176.8-177.70109.1
159G52.3Low53Low37 Ų37138 Ų13838%0.38172%0.72SS.*  trans-70.1147.4169.500000111.7L157 D161 G162L157-G159 PolarHBondContact O-N 3.31Å; L157-G159 VanDerWaalsContact O-N 3.16Å; G159-D161 PolarHBondContact O-N 2.92Å; G159-G162 PolarHBondContact O-N 2.87Å
160Q62.4Low52.8Low211 Ų211136.6 Ų136.699%0.98672%0.723SS**THydrogen-bonded Turntrans-61.4-6.3-175.1-81176.2-22.200115.5
161D53.9Low52.6Low146 Ų146129.2 Ų129.278%0.78172%0.719SS**THydrogen-bonded Turntrans-121.515.1-176.8-116-10000114.2G159 I163G159-D161 PolarHBondContact O-N 2.92Å; D161-I163 PolarHBondContact O-N 2.9Å
162G54.5Low52.3Low55 Ų55126.6 Ų126.657%0.56772%0.715SS**SBendtrans73.54.5177.400000115.4G159 H164G159-G162 PolarHBondContact O-N 2.87Å; G162-H164 PolarHBondContact O-N 3.23Å
163I45.5Very low51.8Low129 Ų129125.7 Ų125.766%0.66272%0.718SS**  trans-86.4111.8176-50.2176.2000108.9D161 M165D161-I163 PolarHBondContact O-N 2.9Å; I163-M165 PolarHBondContact O-N 3.13Å
164H55.4Low51.7Low114 Ų114127.1 Ų127.153%0.52872%0.719SS.*  trans-69.8118.3173.9-82.1-101.4000109.9E156 G162E156-H164 IonicContact OE2-CE1 3.52Å; G162-H164 PolarHBondContact O-N 3.23Å
165M47.9Very low51.2Low171 Ų171126 Ų12684%0.84272%0.721SS**  trans-99.192.9171.8-133.7-179.766.700108.5I163I163-M165 PolarHBondContact O-N 3.13Å
166V56.1Low51.1Low114 Ų114123.9 Ų123.969%0.69172%0.716SS**  trans-97.5108.7169.7178.10000106.8G168V166-G168 PolarHBondContact O-N 3.17Å
167H54.8Low51.3Low176 Ų176121.2 Ų121.282%0.81571%0.707SS**  trans-71.677.7174.4-173.2-88.2000109.4S169H167-S169 PolarHBondContact O-N 2.96Å
168G48.1Very low51.5Low51 Ų51120.4 Ų120.453%0.52670%0.703SS.*  trans-81.9104.4166.200000108.1V166 T170V166-G168 PolarHBondContact O-N 3.17Å; G168-T170 VanDerWaalsContact C-N 3.3Å; G168-T170 PolarHBondContact O-N 2.97Å; G168-T170 PolarHBondContact O-OG1 3.35Å
169S44.2Very low52.1Low112 Ų112117.9 Ų117.978%0.78370%0.698SS**  trans-56.193.5175.3-169.70000109.6H167H167-S169 PolarHBondContact O-N 2.96Å
170T44.6Very low52.8Low116 Ų116120 Ų12071%0.71271%0.707SS**  trans-84.4112.2173.1-580000105.9G168 T172G168-T170 VanDerWaalsContact C-N 3.3Å; G168-T170 PolarHBondContact O-N 2.97Å; G168-T170 PolarHBondContact O-OG1 3.35Å; T170-T172 VanDerWaalsContact C-N 3.31Å; T170-T172 PolarHBondContact O-N 3.39Å
171G41.6Very low52.8Low77 Ų77112.6 Ų112.679%0.79467%0.674SS**  trans-64.193.5171.200000109.5L173G171-L173 PolarHBondContact O-N 2.83Å
172T43.5Very low53.8Low105 Ų105109.3 Ų109.364%0.64466%0.661SS**  trans-78.3109.9162.342.10000107.3T170 L174T170-T172 VanDerWaalsContact C-N 3.31Å; T170-T172 PolarHBondContact O-N 3.39Å; T172-L174 VanDerWaalsContact C-N 3.26Å; T172-L174 PolarHBondContact O-N 3.46Å
173L47.6Very low54.8Low178 Ų178114.1 Ų114.193%0.93267%0.668SS**  trans-67.995.2161.1-69.4176000106.4G171 A175G171-L173 PolarHBondContact O-N 2.83Å; L173-A175 PolarHBondContact O-N 2.95Å
174L49.5Very low56.3Low142 Ų142114.6 Ų114.674%0.74367%0.672SS**  trans-58.8133.6167.8-65.4175.6000107.4T172 T176T172-L174 VanDerWaalsContact C-N 3.26Å; T172-L174 PolarHBondContact O-N 3.46Å; L174-T176 VanDerWaalsContact C-N 3.34Å; L174-T176 PolarHBondContact O-N 3.21Å
175A46.9Very low56.8Low104 Ų104113.2 Ų113.286%0.8667%0.669SS**  trans-54.198.6172.100000108.7L173 D177L173-A175 PolarHBondContact O-N 2.95Å; A175-D177 PolarHBondContact O-N 3.21Å
176T54.3Low57.8Low108 Ų108108.2 Ų108.266%0.66364%0.643SS**  trans-62.9117.1170.138.90000106.8L174 L178L174-T176 VanDerWaalsContact C-N 3.34Å; L174-T176 PolarHBondContact O-N 3.21Å; T176-L178 PolarHBondContact O-N 3.25Å; T176-L178 VanDerWaalsContact O-N 3.12Å
177D60.8Low58.2Low98 Ų98109.2 Ų109.252%0.52464%0.638SS.*  trans-39.1116.3173.9-177.48.8000110.1A175 N179 S180A175-D177 PolarHBondContact O-N 3.21Å; D177-N179 PolarHBondContact O-N 3.16Å; D177-N179 WeakPolarHBondContact OD1-CB 3.47Å; D177-N179 PolarHBondContact OD1-N 2.73Å; D177-N179 PolarHBondContact OD1-ND2 3.26Å; D177-S180 WeakPolarHBondContact O-CB 3.37Å; D177-S180 PolarHBondContact O-N 3Å; D177-S180 PolarHBondContact O-OG 2.87Å
178L63.1Low58.5Low106 Ų106102.8 Ų102.856%0.55562%0.62SS**G310 helixtrans-56.4-20.7-179.5-69.4165.8000111.6T176 S180 L189T176-L178 PolarHBondContact O-N 3.25Å; T176-L178 VanDerWaalsContact O-N 3.12Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.16Å; L178-L189 HydrophobicContact CD2-CD1 4.32Å
179N66.7Low58.9Low126 Ų126104.3 Ų104.367%0.67462%0.615SS**G310 helixtrans-76.3-7.9176.6-56.8-59.5000114.1D177D177-N179 PolarHBondContact O-N 3.16Å; D177-N179 WeakPolarHBondContact OD1-CB 3.47Å; D177-N179 PolarHBondContact OD1-N 2.73Å; D177-N179 PolarHBondContact OD1-ND2 3.26Å
180S67.7Low59.2Low82 Ų82103.8 Ų103.857%0.57360%0.604SS**G310 helixtrans-88.8-9.1177.866.30000113.7D177 L178D177-S180 WeakPolarHBondContact O-CB 3.37Å; D177-S180 PolarHBondContact O-N 3Å; D177-S180 PolarHBondContact O-OG 2.87Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.16Å
181L63.2Low59.8Low54 Ų54107.5 Ų107.528%0.28361%0.605SS.*SBendtrans-90.1147.1-178.8-67.9169.5000111.5D185 Q186 L189L181-D185 HydrophobicContact CB-CB 4.28Å; L181-Q186 HydrophobicContact CB-CG 4.14Å; L181-Q186 PolarHBondContact O-NE2 3.25Å; L181-L189 HydrophobicContact CD1-CD1 3.71Å
182P74.4Confident60.4Low78 Ų78107.6 Ų107.651%0.50659%0.593SS.*  trans-52.4147.9169.9-22.131.5000112.3D184 D185 Q186P182-D184 PolarHBondContact O-N 2.84Å; P182-D184 VanDerWaalsContact O-N 3.07Å; P182-D185 WeakPolarHBondContact CD-OD2 3.15Å; P182-D185 WeakPolarHBondContact CG-OD2 3.33Å; P182-D185 PolarHBondContact O-N 2.94Å; P182-Q186 PolarHBondContact O-N 2.82Å
183E75.6Confident60.7Low156 Ų156108 Ų10873%0.72959%0.591SS**Hα-helixtrans-55.7-29.8-177.2-68.7-178.9135.300113.6
184D75.8Confident60.8Low138 Ų138105.7 Ų105.774%0.73858%0.575SS**Hα-helixtrans-70.1-32.8176.5-79.3-24.1000112.7P182P182-D184 PolarHBondContact O-N 2.84Å; P182-D184 VanDerWaalsContact O-N 3.07Å
185D67.5Low60.7Low86 Ų86104.3 Ų104.346%0.4657%0.573SS.*Hα-helixtrans-83.6-27-176.6-67.7-27.1000112.2L181 P182 G188 L189L181-D185 HydrophobicContact CB-CB 4.28Å; P182-D185 WeakPolarHBondContact CD-OD2 3.15Å; P182-D185 WeakPolarHBondContact CG-OD2 3.33Å; P182-D185 PolarHBondContact O-N 2.94Å; D185-G188 PolarHBondContact O-N 3.25Å; D185-L189 PolarHBondContact O-N 3.13Å
186Q68.6Low60.6Low66 Ų66105 Ų10531%0.30856%0.562SS.*Hα-helixtrans-63-42.5174.5-64.7177.127.900111.3L181 P182 G188 L189 D190L181-Q186 HydrophobicContact CB-CG 4.14Å; L181-Q186 PolarHBondContact O-NE2 3.25Å; P182-Q186 PolarHBondContact O-N 2.82Å; Q186-G188 VanDerWaalsContact C-N 3.26Å; Q186-G188 PolarHBondContact O-N 3.34Å; Q186-L189 PolarHBondContact O-N 2.88Å; Q186-D190 PolarHBondContact O-N 2.68Å
187K63.7Low60.3Low134 Ų134103.1 Ų103.158%0.58355%0.55SS**Hα-helixtrans-71.7-18.7-179.3-59.6-177.4-161.7-64.40113.5
188G60.5Low59.5Low41 Ų41102.7 Ų102.742%0.42356%0.56SS.*Hα-helixtrans-81.1-30.2177.800000113.6D185 Q186 S192D185-G188 PolarHBondContact O-N 3.25Å; Q186-G188 VanDerWaalsContact C-N 3.26Å; Q186-G188 PolarHBondContact O-N 3.34Å; G188-S192 PolarHBondContact O-OG 2.75Å
189L56.7Low58.7Low83 Ų83102.5 Ų102.544%0.43557%0.568SS.*Hα-helixtrans-79-36.9177.7-82161.4000112.5L178 L181 D185 Q186 R191 S192 L193L178-L189 HydrophobicContact CD2-CD1 4.32Å; L181-L189 HydrophobicContact CD1-CD1 3.71Å; D185-L189 PolarHBondContact O-N 3.13Å; Q186-L189 PolarHBondContact O-N 2.88Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 2.68Å; L189-S192 PolarHBondContact O-N 2.59Å; L189-S192 VanDerWaalsContact O-N 3.11Å; L189-L193 PolarHBondContact O-N 3.39Å
190D51.7Low57.7Low101 Ų101101.3 Ų101.354%0.5456%0.558SS.*Hα-helixtrans-57.4-43.1177.2-73.6-22.6000112Q186 E194Q186-D190 PolarHBondContact O-N 2.68Å; D190-E194 WeakPolarHBondContact O-CG 3.41Å; D190-E194 PolarHBondContact O-N 3.06Å
191R56.3Low56.6Low195 Ų195101.4 Ų101.474%0.73656%0.564SS**Hα-helixtrans-73.7-27.2177.8-68.1179.3175.6152.8-0.3113.7L189L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 2.68Å
192S54Low55.7Low79 Ų79105.1 Ų105.155%0.55259%0.589SS**Hα-helixtrans-79.3-25.5178.3-68.10000112.6G188 L189G188-S192 PolarHBondContact O-OG 2.75Å; L189-S192 PolarHBondContact O-N 2.59Å; L189-S192 VanDerWaalsContact O-N 3.11Å
193L50.9Low54.4Low112 Ų112104.5 Ų104.559%0.58659%0.59SS**Hα-helixtrans-83.4-28.4179.3-150.981.7000113L189 T195 L196 T197L189-L193 PolarHBondContact O-N 3.39Å; L193-T195 VanDerWaalsContact C-N 3.26Å; L193-T195 PolarHBondContact O-N 3.23Å; L193-L196 PolarHBondContact O-N 2.95Å; L193-T197 HydrophobicContact CG-CG2 4.4Å; L193-T197 WeakPolarHBondContact O-CG2 3.22Å; L193-T197 PolarHBondContact O-N 3.42Å; L193-T197 VanDerWaalsContact O-N 3.15Å; L193-T197 PolarHBondContact O-OG1 2.64Å
194E49.5Very low53.2Low131 Ų131104.7 Ų104.761%0.61259%0.589SS**Hα-helixtrans-66.5-24.6178.4-74.6172.5165.400113.3D190 T197 A198D190-E194 WeakPolarHBondContact O-CG 3.41Å; D190-E194 PolarHBondContact O-N 3.06Å; E194-T197 WeakPolarHBondContact CA-OG1 3.18Å; E194-T197 PolarHBondContact O-OG1 3.06Å; E194-A198 PolarHBondContact O-N 3.33Å
195T47.3Very low51.9Low113 Ų113106.9 Ų106.969%0.69360%0.595SS**Hα-helixtrans-81.9-24179.7-47.50000112.5L193L193-T195 VanDerWaalsContact C-N 3.26Å; L193-T195 PolarHBondContact O-N 3.23Å
196L44.2Very low51.1Low119 Ų119112.8 Ų112.862%0.62361%0.61SS**Hα-helixtrans-89.9-29177.3-64.4174.7000112L193L193-L196 PolarHBondContact O-N 2.95Å
197T47.5Very low50Low68 Ų68117.3 Ų117.342%0.41764%0.637SS.*Hα-helixtrans-84.3-24.2-176.249.10000114.2L193 E194 S199 E200 A201L193-T197 HydrophobicContact CG-CG2 4.4Å; L193-T197 WeakPolarHBondContact O-CG2 3.22Å; L193-T197 PolarHBondContact O-N 3.42Å; L193-T197 VanDerWaalsContact O-N 3.15Å; L193-T197 PolarHBondContact O-OG1 2.64Å; E194-T197 WeakPolarHBondContact CA-OG1 3.18Å; E194-T197 PolarHBondContact O-OG1 3.06Å; T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.16Å; T197-E200 PolarHBondContact O-N 2.85Å; T197-A201 WeakPolarHBondContact O-CB 3.45Å; T197-A201 PolarHBondContact O-N 3.5Å
198A44.5Very low49.2Very low89 Ų89114.5 Ų114.574%0.73664%0.638SS**THydrogen-bonded Turntrans-70.6-18.5179.400000114.5E194E194-A198 PolarHBondContact O-N 3.33Å
199S45.7Very low48.9Very low102 Ų102124 Ų12471%0.71366%0.662SS**THydrogen-bonded Turntrans-101.2-12176.2-175.90000113.7T197T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.16Å
200E46.7Very low48.3Very low101 Ų101126.5 Ų126.547%0.47268%0.68SS.*THydrogen-bonded Turntrans-105.5-14.5-176.8-99.6-179.9150.100113.7T197 T202 A203 F204T197-E200 PolarHBondContact O-N 2.85Å; E200-T202 PolarHBondContact O-N 3.27Å; E200-T202 VanDerWaalsContact O-N 3.14Å; E200-A203 PolarHBondContact O-N 3.2Å; E200-A203 VanDerWaalsContact O-N 3.15Å; E200-F204 HydrophobicContact CB-CD2 4.32Å; E200-F204 HydrophobicContact CG-CD2 4.3Å; E200-F204 HydrophobicContact CG-CE2 4.14Å
201A43.8Very low48.5Very low84 Ų84131 Ų13169%0.69470%0.698SS**THydrogen-bonded Turntrans-67.4-12.6-174.700000115.7T197T197-A201 WeakPolarHBondContact O-CB 3.45Å; T197-A201 PolarHBondContact O-N 3.5Å
202T45.4Very low47.8Very low131 Ų131127.5 Ų127.580%0.80470%0.704SS**THydrogen-bonded Turntrans-104.2-2.4174.856.70000114.1E200E200-T202 PolarHBondContact O-N 3.27Å; E200-T202 VanDerWaalsContact O-N 3.14Å
203A47.4Very low48Very low65 Ų65128.6 Ų128.654%0.53772%0.717SS.*THydrogen-bonded Turntrans-110.6-6.2-173.500000114.3E200E200-A203 PolarHBondContact O-N 3.2Å; E200-A203 VanDerWaalsContact O-N 3.15Å
204F49.6Very low47.9Very low161 Ų161133.2 Ų133.271%0.70673%0.732SS**SBendtrans-99.44.4-167.9-108.1-89.9000116.8E200E200-F204 HydrophobicContact CB-CD2 4.32Å; E200-F204 HydrophobicContact CG-CD2 4.3Å; E200-F204 HydrophobicContact CG-CE2 4.14Å
205E47.8Very low48.2Very low183 Ų183132.6 Ų132.686%0.85574%0.743SS**SBendtrans-121.630.8-171.3-151.8176.1179.800115.2
206R52Low48.3Very low210 Ų210133.7 Ų133.779%0.79275%0.749SS**  trans-137.4-0176.2-72.6-168179.578.83.8117.7A208R206-A208 PolarHBondContact O-N 2.96Å
207N44.9Very low48.5Very low161 Ų161134.3 Ų134.386%0.86176%0.76SS**  trans-89.948.4-174-64.8-24.1000113.6
208A47.8Very low49.2Very low75 Ų75139.2 Ų139.262%0.6278%0.783SS**  trans-140.467.7172.700000109.8R206R206-A208 PolarHBondContact O-N 2.96Å
209R53.5Low49.4Very low242 Ų242142.8 Ų142.891%0.91378%0.784SS**  trans-178.2134.7154.6-99150.4-174.3110.6-5.1111.4
210T43.5Very low49.5Very low134 Ų134146.2 Ų146.282%0.82279%0.786SS**  trans-71.2143.2175.250.10000111.9
211E56.1Low49.7Very low197 Ų197147.3 Ų147.392%0.92180%0.795SS**  trans-165.2147.3134.157.5-173.8174.600112.8
212S41.8Very low49.9Very low121 Ų121153.2 Ų153.285%0.84680%0.799SS**  trans-89.4138.2-170.4-177.30000110.5
213A57.6Low50.2Low101 Ų101153.6 Ų153.684%0.83580%0.797SS**  trans-137.2109166.300000111.4
214K48.5Very low50Low209 Ų209156.6 Ų156.691%0.90981%0.808SS**  trans-69.9136.4156.6-86.5172.8169.4172.70108.5
215S57.7Low50.3Low118 Ų118156.7 Ų156.783%0.82581%0.814SS**  trans-147.6133.6152.466.50000112
216T48.9Very low50.7Low136 Ų136156.3 Ų156.383%0.83481%0.814SS**  trans-88.6137.7177.137.30000110.7
217P49Very low50.6Low132 Ų132154.7 Ų154.786%0.85782%0.816SS**  trans-94.1125.1174.932.5-26.7000111.9
218L60.6Low50.7Low172 Ų172152.3 Ų152.390%0.90181%0.812SS**  trans-104.1114.4171.8-170.573.9000108.8
219H49.2Very low50.8Low163 Ų163153.6 Ų153.676%0.75581%0.814SS**  trans-96.9135.2174.9159.7-76.1000110.4
220K48.1Very low50.8Low174 Ų174149.8 Ų149.876%0.75781%0.811SS**  trans-151.3132.6157.2-81.4-145179.6-174.10113.2
221L50.2Low51.4Low124 Ų124152.4 Ų152.465%0.64981%0.813SS**  trans76.2141.6151.8-59.5159.5000116.2
222R47.8Very low51.7Low208 Ų208150.8 Ų150.879%0.78581%0.81SS**  cis163.6165.7-15.4-113.6-171.7-166166.4-0.3103.9
223D52.4Low52.6Low140 Ų140151.4 Ų151.475%0.74981%0.808SS**  trans91.896.1166-49.4-24.4000114.7
224V43.7Very low53.2Low128 Ų128155.6 Ų155.678%0.77681%0.811SS**  65.691.669.9-176.40000112.5
225I56.5Low53.5Low163 Ų163157.4 Ų157.484%0.83683%0.829SS**  trans-15294148.8-54.5-175.2000106.2
226M55.6Low53.3Low174 Ų174159.4 Ų159.486%0.85783%0.829SS**  66.9106.9103.9-83.8-158.458.200115.7
227E48.9Very low53.5Low177 Ų177160.6 Ų160.683%0.82783%0.829SS**  trans-71.9139.4177.1-174-179.8-172.600112.2
228S46.9Very low53.7Low110 Ų110162.2 Ų162.277%0.76983%0.827SS**  trans-135.8113.3159.4-176.70000107.1
229P49.7Very low53.3Low103 Ų103161.6 Ų161.667%0.66982%0.823SS**PPolyproline II helixtrans-94125.4176.131.5-24.1000109.7
230L54.4Low53.6Low162 Ų162161.5 Ų161.585%0.84883%0.827SS**PPolyproline II helixtrans-100.7116.5166-83.1163.6000108.7
231E55.9Low54Low188 Ų188160.7 Ų160.788%0.87983%0.832SS**PPolyproline II helixtrans-60.1138.4166.5-65.5169.9147.500110.4
232I62.2Low54.2Low164 Ų164163.3 Ų163.384%0.84185%0.845SS**  trans-134123.2162.2-35.4174.8000107.9
233T59.8Low54.7Low134 Ų134159.8 Ų159.882%0.82285%0.85SS**  trans-68.7142.2-178.1-530000112.6
234E71.5Confident54.9Low188 Ų188161.5 Ų161.588%0.87986%0.858SS**  trans-80.4151.3172.9-63.2-162.5158.600112.7
235L53.7Low55.9Low247 Ų247164.5 Ų164.5100%1.29387%0.865SS**  trans-86.60165.5-89.1167.4000110.7

Retrieved 235 of 235 residues in 177.6 ms (Link to these results)

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