G4LUX8_SCHMA Loading...

Cilia-and flagella-associated protein 96

AlphaFold DB , UniProt , Accession G4LUX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 301 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
1M45.8Very low67.2Low229 Ų229139.9 Ų139.9100%1.12872%0.721SS**  0112.20-65.1-57.8-174.600107.8T3M1-T3 PolarHBondContact O-N 3.21Å
2P60.8Low67.5Low130 Ų130132.3 Ų132.384%0.84470%0.702SS**  trans-69.1126.7170.729.6-29.4000108M4P2-M4 PolarHBondContact O-N 3.36Å
3T64.9Low67.8Low134 Ų134131.1 Ų131.182%0.82269%0.694SS**  trans-64.8122.2179.943.10000110M1 Q5M1-T3 PolarHBondContact O-N 3.21Å; T3-Q5 PolarHBondContact O-N 3.45Å
4M66.7Low68Low193 Ų193132.8 Ų132.895%0.95169%0.693SS**  trans-71.7107-179.7-161.7174.9173.900109.2P2P2-M4 PolarHBondContact O-N 3.36Å
5Q68.7Low68.5Low141 Ų141136.1 Ų136.166%0.65970%0.7SS**  trans-78144.9179.5-144.8157.7-8.100109.8T3 D9T3-Q5 PolarHBondContact O-N 3.45Å; Q5-D9 HydrophobicContact CG-CB 4.12Å
6A76.1Confident69Low59 Ų59137.3 Ų137.349%0.48870%0.701SS.*  trans-60.1143.5-177.600000111.5F8 D9 R10A6-F8 PolarHBondContact O-N 3.29Å; A6-D9 PolarHBondContact O-N 3.45Å; A6-R10 PolarHBondContact O-N 2.89Å
7D70.3Confident69.6Low95 Ų95138.9 Ų138.951%0.50871%0.708SS.*Hα-helixtrans-57.7-26.7-175.5-86.1-23.6000113.1R10 L11D7-R10 PolarHBondContact O-N 2.95Å; D7-R10 IonicContact OD1-NH1 3.67Å; D7-L11 HydrophobicContact CB-CD1 4.48Å; D7-L11 WeakPolarHBondContact O-CB 3.29Å; D7-L11 VanDerWaalsContact O-CG 3.29Å; D7-L11 WeakPolarHBondContact O-CG 3.38Å; D7-L11 PolarHBondContact O-N 3.04Å
8F70Confident70.1Confident138 Ų138137.3 Ų137.361%0.60571%0.711SS**Hα-helixtrans-62.9-39.5174.8-69-70.6000113.2A6 G12 F14A6-F8 PolarHBondContact O-N 3.29Å; F8-G12 PolarHBondContact O-N 3.17Å; F8-F14 AromaticContact CD1-CD2 3.65Å; F8-F14 HydrophobicContact CD1-CD2 3.65Å; F8-F14 AromaticContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CE1-CD2 4.3Å; F8-F14 AromaticContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CZ 4.49Å
9D70.8Confident70.7Confident111 Ų111138.1 Ų138.159%0.59471%0.705SS**Hα-helixtrans-77-31.2175.8-69.9-17.2000111.3Q5 A6Q5-D9 HydrophobicContact CG-CB 4.12Å; A6-D9 PolarHBondContact O-N 3.45Å
10R71.8Confident71.1Confident197 Ų197137.7 Ų137.774%0.74371%0.71SS**Hα-helixtrans-71.8-39.9179.3-174.8-176.5166.1-161.2-1.8112.9A6 D7A6-R10 PolarHBondContact O-N 2.89Å; D7-R10 PolarHBondContact O-N 2.95Å; D7-R10 IonicContact OD1-NH1 3.67Å
11L72.8Confident71.5Confident112 Ų112136 Ų13659%0.58671%0.706SS**Hα-helixtrans-82.8-16.1-178-66.3165.4000112.5D7 I13D7-L11 HydrophobicContact CB-CD1 4.48Å; D7-L11 WeakPolarHBondContact O-CB 3.29Å; D7-L11 VanDerWaalsContact O-CG 3.29Å; D7-L11 WeakPolarHBondContact O-CG 3.38Å; D7-L11 PolarHBondContact O-N 3.04Å; L11-I13 HydrophobicContact CB-CD1 3.53Å; L11-I13 HydrophobicContact CB-CG1 3.57Å; L11-I13 HydrophobicContact CD1-CD1 3.86Å; L11-I13 HydrophobicContact CG-CD1 4.23Å; L11-I13 WeakPolarHBondContact O-CG1 3.49Å; L11-I13 PolarHBondContact O-N 3.42Å
12G71.5Confident72.8Confident48 Ų48130.3 Ų130.350%0.49568%0.678SS.*  trans66.814.5176.600000115F8 F14F8-G12 PolarHBondContact O-N 3.17Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 3.19Å
13I70.7Confident73.6Confident117 Ų117131.5 Ų131.560%0.668%0.678SS**THydrogen-bonded Turntrans-75.5-22.1-169.3-50.2172000111.8L11L11-I13 HydrophobicContact CB-CD1 3.53Å; L11-I13 HydrophobicContact CB-CG1 3.57Å; L11-I13 HydrophobicContact CD1-CD1 3.86Å; L11-I13 HydrophobicContact CG-CD1 4.23Å; L11-I13 WeakPolarHBondContact O-CG1 3.49Å; L11-I13 PolarHBondContact O-N 3.42Å
14F70.8Confident74.1Confident155 Ų155130.5 Ų130.568%0.6867%0.668SS**THydrogen-bonded Turntrans-114.627.2-176.1-64.2-80.6000113.6F8 G12 E16F8-F14 AromaticContact CD1-CD2 3.65Å; F8-F14 HydrophobicContact CD1-CD2 3.65Å; F8-F14 AromaticContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CD1-CE2 3.51Å; F8-F14 HydrophobicContact CE1-CD2 4.3Å; F8-F14 AromaticContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CE2 3.7Å; F8-F14 HydrophobicContact CE1-CZ 4.49Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 3.19Å; F14-E16 PolarHBondContact O-N 3.3Å
15K75.1Confident74.5Confident182 Ų182130.3 Ų130.379%0.79166%0.664SS**PPolyproline II helixtrans-78.1122.5171.7-167.7174.8-178179.30109.2M17K15-M17 PolarHBondContact O-N 3.48Å
16E77.9Confident74.9Confident156 Ų156132.7 Ų132.773%0.72967%0.668SS**PPolyproline II helixtrans-53.7127.9175-170.2175.9-175.100110.3F14F14-E16 PolarHBondContact O-N 3.3Å
17M78.4Confident74.6Confident164 Ų164136.7 Ų136.781%0.80868%0.682SS**PPolyproline II helixtrans-73.2134.8177.5-73.6-178.16200109.8K15 Y19K15-M17 PolarHBondContact O-N 3.48Å; M17-Y19 PolarHBondContact O-N 3.38Å
18S79.6Confident74.5Confident110 Ų110140.9 Ų140.977%0.76970%0.696SS**PPolyproline II helixtrans-64.3128.717055.40000110
19Y81.6Confident74Confident152 Ų152142.5 Ų142.560%0.59671%0.705SS**PPolyproline II helixtrans-71131.5172.2-60-90.5000110.1M17 T21 I22M17-Y19 PolarHBondContact O-N 3.38Å; Y19-T21 PolarHBondContact O-N 3.34Å; Y19-I22 HydrophobicContact CD2-CD1 3.63Å; Y19-I22 HydrophobicContact CD2-CG1 4.5Å; Y19-I22 HydrophobicContact CG-CD1 3.99Å; Y19-I22 HydrophobicContact CG-CG1 4.42Å
20V77.1Confident73.5Confident131 Ų131143.2 Ų143.279%0.79471%0.709SS**THydrogen-bonded Turntrans-72.2-18.5-178-158.50000112
21T80Confident72.7Confident102 Ų102138.7 Ų138.763%0.62671%0.707SS**THydrogen-bonded Turntrans-107.111.3-17159.50000114Y19 N23 D24Y19-T21 PolarHBondContact O-N 3.34Å; T21-N23 PolarHBondContact O-N 3.41Å; T21-D24 PolarHBondContact O-N 3.3Å
22I73.6Confident72.2Confident109 Ų109140.1 Ų140.156%0.55971%0.711SS**THydrogen-bonded Turntrans-76.2116.2176.3-69.1169.4000108.2Y19 D24Y19-I22 HydrophobicContact CD2-CD1 3.63Å; Y19-I22 HydrophobicContact CD2-CG1 4.5Å; Y19-I22 HydrophobicContact CG-CD1 3.99Å; Y19-I22 HydrophobicContact CG-CG1 4.42Å; I22-D24 VanDerWaalsContact C-N 3.34Å
23N76.4Confident71.8Confident156 Ų156146.8 Ų146.883%0.83473%0.729SS**THydrogen-bonded Turntrans74.59.5-172.8-52.9-37.1000116.3T21 Q25T21-N23 PolarHBondContact O-N 3.41Å; N23-Q25 PolarHBondContact O-N 3.17Å
24D76.4Confident71.7Confident113 Ų113146 Ų14660%0.60473%0.725SS**PPolyproline II helixtrans-70116.2165.7-90-13.4000108.9T21 I22 Y26T21-D24 PolarHBondContact O-N 3.3Å; I22-D24 VanDerWaalsContact C-N 3.34Å; D24-Y26 PolarHBondContact O-N 3.22Å; D24-Y26 VanDerWaalsContact O-N 3.17Å
25Q75.8Confident71.9Confident188 Ų188148 Ų14888%0.87973%0.728SS**PPolyproline II helixtrans-64.2118.6171.9-68.4-165.1-19.700108.2N23 D27N23-Q25 PolarHBondContact O-N 3.17Å; Q25-D27 PolarHBondContact O-N 2.95Å; Q25-D27 VanDerWaalsContact O-N 3.09Å
26Y75.4Confident72.2Confident191 Ų191144.5 Ų144.575%0.74973%0.726SS**PPolyproline II helixtrans-59116.3171.9-175.4-95000109D24 K28D24-Y26 PolarHBondContact O-N 3.22Å; D24-Y26 VanDerWaalsContact O-N 3.17Å; Y26-K28 HydrophobicContact CD1-CG 4.47Å; Y26-K28 PolarHBondContact O-N 2.91Å
27D70.4Confident72.4Confident143 Ų143140.1 Ų140.177%0.76572%0.717SS**  trans-61.9102.2171.5-106.8-18.1000108.1Q25 Q29Q25-D27 PolarHBondContact O-N 2.95Å; Q25-D27 VanDerWaalsContact O-N 3.09Å; D27-Q29 PolarHBondContact O-N 3.09Å
28K68.3Low72.4Confident184 Ų184139.9 Ų139.980%0.871%0.712SS**  trans-64.6105.6175.9-71.7-177.2-177.5177.30107.8Y26Y26-K28 HydrophobicContact CD1-CG 4.47Å; Y26-K28 PolarHBondContact O-N 2.91Å
29Q60.1Low72.4Confident172 Ų172142 Ų14280%0.80471%0.707SS**SBendtrans22.398.2161.4-79.6178.4-36.200114.3D27D27-Q29 PolarHBondContact O-N 3.09Å
30D58.9Low72.5Confident126 Ų126137.6 Ų137.667%0.67471%0.708SS**  trans5069.4158.9-60.2-19.8000114.7H32D30-H32 PolarHBondContact O-N 3.01Å; D30-H32 IonicContact OD1-CD2 3.48Å
31S56.7Low73.1Confident101 Ų101140 Ų14071%0.70671%0.708SS**  trans-67.817.6155.169.80000112.7Q33S31-Q33 VanDerWaalsContact C-N 3.34Å; S31-Q33 PolarHBondContact O-N 2.7Å
32H61Low73.6Confident143 Ų143140.6 Ų140.666%0.66270%0.703SS**  trans-52.9104.6163-68.8-26.5000107D30 I34D30-H32 PolarHBondContact O-N 3.01Å; D30-H32 IonicContact OD1-CD2 3.48Å; H32-I34 VanDerWaalsContact C-N 3.29Å; H32-I34 PolarHBondContact O-N 2.81Å
33Q63.6Low74.5Confident188 Ų188144 Ų14488%0.87972%0.719SS**  trans-49.4100.1174.9-69.1176.7-0.200107.1S31 R35S31-Q33 VanDerWaalsContact C-N 3.34Å; S31-Q33 PolarHBondContact O-N 2.7Å; Q33-R35 PolarHBondContact O-N 3.2Å
34I68.8Low75Confident100 Ų100145.4 Ų145.451%0.51371%0.714SS.*  trans-57.3113179.7-66.1171.5000104.5H32 S36 F38 K39H32-I34 VanDerWaalsContact C-N 3.29Å; H32-I34 PolarHBondContact O-N 2.81Å; I34-S36 PolarHBondContact O-N 3.3Å; I34-F38 HydrophobicContact CG2-CB 3.54Å; I34-F38 HydrophobicContact CG2-CD2 4.08Å; I34-F38 HydrophobicContact CG2-CG 4.16Å; I34-K39 HydrophobicContact CG2-CG 4.25Å
35R75.2Confident75.6Confident196 Ų196145.9 Ų145.974%0.7473%0.725SS**  trans-48.6136.5-177.7-66.2-176.2178-142.80107.9Q33 A37 F38Q33-R35 PolarHBondContact O-N 3.2Å; R35-A37 PolarHBondContact O-N 2.85Å; R35-F38 HydrophobicContact CB-CD2 3.9Å; R35-F38 HydrophobicContact CB-CE2 4.09Å; R35-F38 HydrophobicContact CG-CE2 4.48Å; R35-F38 PolarHBondContact O-N 2.93Å
36S82.1Confident76Confident109 Ų109144.7 Ų144.776%0.76272%0.724SS**G310 helixtrans-51.2-28.1-178.852.30000112.6I34 F38 K39I34-S36 PolarHBondContact O-N 3.3Å; S36-F38 PolarHBondContact O-N 2.89Å; S36-K39 CarbonylContact O-C 3.42Å; S36-K39 PolarHBondContact O-N 3Å
37A82Confident76.4Confident65 Ų65138.8 Ų138.854%0.53772%0.721SS.*G310 helixtrans-54.2-30.1172.300000115.1R35 Q42R35-A37 PolarHBondContact O-N 2.85Å; A37-Q42 PolarHBondContact O-NE2 3.44Å
38F78.5Confident76.9Confident158 Ų158136.3 Ų136.369%0.69372%0.715SS**G310 helixtrans-84-14.9177.2-65.4-77.1000113.2I34 R35 S36I34-F38 HydrophobicContact CG2-CB 3.54Å; I34-F38 HydrophobicContact CG2-CD2 4.08Å; I34-F38 HydrophobicContact CG2-CG 4.16Å; R35-F38 HydrophobicContact CB-CD2 3.9Å; R35-F38 HydrophobicContact CB-CE2 4.09Å; R35-F38 HydrophobicContact CG-CE2 4.48Å; R35-F38 PolarHBondContact O-N 2.93Å; S36-F38 PolarHBondContact O-N 2.89Å
39K77.8Confident77.6Confident156 Ų156133.4 Ų133.468%0.67870%0.703SS**SBendtrans-11394.7179.1-70.8-173.8179179.90109.4I34 S36I34-K39 HydrophobicContact CG2-CG 4.25Å; S36-K39 CarbonylContact O-C 3.42Å; S36-K39 PolarHBondContact O-N 3Å
40G84.8Confident78.5Confident59 Ų59132.9 Ų132.961%0.60870%0.7SS**SBendtrans157.7168.8174.700000113.5Q42G40-Q42 PolarHBondContact O-N 3.37Å
41K90.2Very high79.5Confident182 Ų182136.8 Ų136.879%0.79171%0.711SS**PPolyproline II helixtrans-73.5121.1171.6-172.3177.5-178.6-178.30108.6Y44K41-Y44 HydrophobicContact CD-CE2 4.46Å; K41-Y44 HydrophobicContact CG-CE2 4.05Å
42Q89.3Confident80.6Confident113 Ų113134.6 Ų134.653%0.52870%0.695SS.*PPolyproline II helixtrans-73.9158.2176.4-57.9-56.5-40.500111.1A37 G40 Y44A37-Q42 PolarHBondContact O-NE2 3.44Å; G40-Q42 PolarHBondContact O-N 3.37Å; Q42-Y44 PolarHBondContact O-N 2.78Å
43M92Very high81.6Confident180 Ų180133.1 Ų133.189%0.88771%0.708SS**PPolyproline II helixtrans-64.1127167.1-64.9-170.8-63.800108.7
44Y88.7Confident82.4Confident186 Ų186129.2 Ų129.273%0.72969%0.693SS**PPolyproline II helixtrans-87.7126170.9-70.2-84.5000108.4K41 Q42K41-Y44 HydrophobicContact CD-CE2 4.46Å; K41-Y44 HydrophobicContact CG-CE2 4.05Å; Q42-Y44 PolarHBondContact O-N 2.78Å
45C88.2Confident83.1Confident123 Ų123128.8 Ų128.883%0.83169%0.69SS**PPolyproline II helixtrans-85.5132.8164.6-62.90000108.2
46D83.3Confident83.5Confident164 Ų164123.8 Ų123.888%0.87768%0.678SS**PPolyproline II helixtrans-67.6139.2172.9-75.4-32.3000110.5
47G83.6Confident83.4Confident66 Ų66121 Ų12168%0.6867%0.666SS**PPolyproline II helixtrans-82163.8174.800000112.8K49G47-K49 PolarHBondContact O-N 3.17Å
48S82.3Confident83.5Confident92 Ų92125.5 Ų125.564%0.64367%0.67SS**PPolyproline II helixtrans-69.7122.8173.849.70000111.4H50S48-H50 PolarHBondContact O-N 2.95Å; S48-H50 PolarHBondContact OG-NE2 2.89Å
49K82.2Confident83.9Confident123 Ų123129 Ų12954%0.53569%0.686SS.*  trans-87.197.9174.1-64.8-179.2178.21780109.8G47 D56G47-K49 PolarHBondContact O-N 3.17Å; K49-D56 HydrophobicContact CD-CB 3.55Å; K49-D56 IonicContact NZ-OD2 3.7Å; K49-D56 PolarHBondContact NZ-OD2 3.41Å
50H79.3Confident84.3Confident161 Ų161123.3 Ų123.375%0.74567%0.672SS**  trans-79.9-23.6-178.2-66.2-68.3000114.4S48S48-H50 PolarHBondContact O-N 2.95Å; S48-H50 PolarHBondContact OG-NE2 2.89Å
51K80.8Confident84.3Confident207 Ų207125.8 Ų125.890%0.968%0.677SS**SBendtrans-142.4105.3-178.4-63.8-177.4-176.5177.40109.7
52S79.7Confident84Confident55 Ų55123.3 Ų123.339%0.38567%0.667SS.*  trans-139.8138.6169.559.60000109.7N54S52-N54 PolarHBondContact OG-O 3.36Å
53A80.2Confident83.8Confident112 Ų112124.3 Ų124.393%0.92667%0.674SS**SBendtrans-76.8-10.5164.900000111.7
54N81.3Confident83.5Confident107 Ų107123.1 Ų123.157%0.57266%0.66SS**SBendtrans-91.3162.9175.8-62.1-6.9000110.9S52 D56S52-N54 PolarHBondContact OG-O 3.36Å; N54-D56 WeakPolarHBondContact CB-OD1 3.49Å; N54-D56 PolarHBondContact O-N 3.38Å
55M84.2Confident83.4Confident91 Ų91120.9 Ų120.945%0.44866%0.659SS.*G310 helixtrans-79.97.7-175.9-65.4171.446.500114.5G57 Y58 F62M55-G57 PolarHBondContact O-N 3.05Å; M55-Y58 HydrophobicContact CB-CD2 4.27Å; M55-Y58 PolarHBondContact O-N 2.96Å; M55-Y58 VanDerWaalsContact O-N 3.08Å; M55-F62 HydrophobicContact CE-CB 3.35Å; M55-F62 HydrophobicContact SD-CB 3.95Å
56D82.5Confident83.3Confident91 Ų91121.3 Ų121.349%0.48765%0.647SS.*G310 helixtrans-59.7-16.8-173.6-563.7000115.1K49 N54K49-D56 HydrophobicContact CD-CB 3.55Å; K49-D56 IonicContact NZ-OD2 3.7Å; K49-D56 PolarHBondContact NZ-OD2 3.41Å; N54-D56 WeakPolarHBondContact CB-OD1 3.49Å; N54-D56 PolarHBondContact O-N 3.38Å
57G81.3Confident83.2Confident49 Ų49118 Ų11851%0.50563%0.633SS.*G310 helixtrans-91.7-3.6178.700000115M55M55-G57 PolarHBondContact O-N 3.05Å
58Y84Confident83.2Confident160 Ų160118.3 Ų118.363%0.62764%0.636SS**SBendtrans-99.9143.2-179.7-60.5-82.1000110.7M55 G60M55-Y58 HydrophobicContact CB-CD2 4.27Å; M55-Y58 PolarHBondContact O-N 2.96Å; M55-Y58 VanDerWaalsContact O-N 3.08Å; Y58-G60 PolarHBondContact O-N 3.2Å; Y58-G60 VanDerWaalsContact O-N 3.13Å
59F86.2Confident83.3Confident231 Ų231118.9 Ų118.9100%1.01363%0.632SS**SBendtrans-71.2-0.9177.8-67.6-75.3000114.4
60G85.5Confident83.2Confident38 Ų38120.2 Ų120.239%0.39265%0.645SS.*SBendtrans-164.9172.9-178.400000112.9Y58 F62Y58-G60 PolarHBondContact O-N 3.2Å; Y58-G60 VanDerWaalsContact O-N 3.13Å; G60-F62 PolarHBondContact O-N 3.39Å
61P86.2Confident83.3Confident111 Ų111122.1 Ų122.172%0.72165%0.651SS**  trans-63.9132176.827.8-33.6000110.1I63P61-I63 PolarHBondContact O-N 2.87Å
62F83.8Confident83.3Confident129 Ų129118.6 Ų118.657%0.56664%0.64SS**  trans-64.4112.8169.9-179.7-97.9000109.5M55 G60 R64M55-F62 HydrophobicContact CE-CB 3.35Å; M55-F62 HydrophobicContact SD-CB 3.95Å; G60-F62 PolarHBondContact O-N 3.39Å; F62-R64 HydrophobicContact CE1-CB 4Å
63I84.8Confident83.7Confident135 Ų135119.7 Ų119.769%0.69264%0.642SS**  trans-95.7113.2176.3-55.5169.1000107.3P61P61-I63 PolarHBondContact O-N 2.87Å
64R85.5Confident84.2Confident154 Ų154120 Ų12058%0.58163%0.627SS**  trans-78.6125.5173.7178.1179.5-69-167.4-0.7108.1F62 F66 T67F62-R64 HydrophobicContact CE1-CB 4Å; R64-F66 PolarHBondContact O-N 3Å; R64-T67 HydrophobicContact CB-CG2 3.75Å; R64-T67 HydrophobicContact CG-CG2 4.39Å; R64-T67 PolarHBondContact O-N 3.22Å; R64-T67 PolarHBondContact O-OG1 2.76Å
65I87.4Confident84.5Confident139 Ų139122.2 Ų122.271%0.71363%0.634SS**THydrogen-bonded Turntrans-54.7-23.4-177.856.6173.4000114.7
66F84.9Confident84.9Confident133 Ų133126.1 Ų126.158%0.58364%0.644SS**THydrogen-bonded Turntrans-101.76.9-179.7-48.2-64.5000113.9R64 G68 D69R64-F66 PolarHBondContact O-N 3Å; F66-G68 PolarHBondContact O-N 3.06Å; F66-D69 HydrophobicContact CB-CB 4.29Å; F66-D69 WeakPolarHBondContact CD1-OD2 3.49Å; F66-D69 PolarHBondContact O-N 3.47Å; F66-D69 VanDerWaalsContact O-N 3.11Å
67T81.7Confident85.2Confident95 Ų95126 Ų12658%0.58364%0.643SS**THydrogen-bonded Turntrans-69.6116.3173.744.70000109.5R64R64-T67 HydrophobicContact CB-CG2 3.75Å; R64-T67 HydrophobicContact CG-CG2 4.39Å; R64-T67 PolarHBondContact O-N 3.22Å; R64-T67 PolarHBondContact O-OG1 2.76Å
68G83.1Confident85.6Confident71 Ų71127.3 Ų127.373%0.73264%0.637SS**THydrogen-bonded Turntrans100.3-14.7-173.400000113.5F66 N70F66-G68 PolarHBondContact O-N 3.06Å; G68-N70 PolarHBondContact O-N 2.81Å
69D85.4Confident85.9Confident105 Ų105127.5 Ų127.556%0.56164%0.637SS**  trans-74.3111.7174.4-74.8-8.5000109.8F66 K71F66-D69 HydrophobicContact CB-CB 4.29Å; F66-D69 WeakPolarHBondContact CD1-OD2 3.49Å; F66-D69 PolarHBondContact O-N 3.47Å; F66-D69 VanDerWaalsContact O-N 3.11Å; D69-K71 PolarHBondContact O-N 2.71Å
70N80.3Confident86.1Confident150 Ų150119.8 Ų119.880%0.80261%0.606SS**  trans-69.1128.3168.3-72.2-41.8000108.7G68 I72G68-N70 PolarHBondContact O-N 2.81Å; N70-I72 PolarHBondContact O-N 3.08Å
71K80.1Confident86.3Confident202 Ų202123.8 Ų123.888%0.87861%0.614SS**  trans-56.9108.4172.9-175178179.5179.60109.4D69 D73D69-K71 PolarHBondContact O-N 2.71Å; K71-D73 PolarHBondContact O-N 3.08Å
72I82Confident86.3Confident133 Ų133126.4 Ų126.468%0.68261%0.61SS**  trans-73.6110.4174.5-58.7176.3000107.5N70 L74 L77N70-I72 PolarHBondContact O-N 3.08Å; I72-L74 PolarHBondContact O-N 3.32Å; I72-L77 HydrophobicContact CG2-CD1 3.35Å; I72-L77 HydrophobicContact CG2-CG 4.07Å
73D87.2Confident86.5Confident78 Ų78126.3 Ų126.342%0.41761%0.609SS.*  trans-82.9105.3169.4178.810000109.2K71 E75 R76 L77K71-D73 PolarHBondContact O-N 3.08Å; D73-E75 PolarHBondContact O-N 2.8Å; D73-E75 WeakPolarHBondContact OD1-CB 3.49Å; D73-E75 PolarHBondContact OD1-N 3.13Å; D73-R76 HydrophobicContact CB-CB 3.81Å; D73-R76 WeakPolarHBondContact O-CB 3.33Å; D73-R76 PolarHBondContact O-N 2.77Å; D73-R76 VanDerWaalsContact O-N 3.1Å; D73-L77 PolarHBondContact O-N 2.79Å
74L89.9Confident86.6Confident118 Ų118125 Ų12562%0.61860%0.6SS**Hα-helixtrans-58.5-34.4179.7-176.161.6000111.6I72 L77 I78I72-L74 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 3.26Å; L74-I78 HydrophobicContact CD1-CD1 4.42Å; L74-I78 HydrophobicContact CG-CD1 3.96Å; L74-I78 VanDerWaalsContact O-CG1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.12Å
75E88.9Confident86.5Confident153 Ų153118.7 Ų118.772%0.71558%0.58SS**Hα-helixtrans-67.6-39.7177.9-61.8-171.7172.800111.2D73 I78 R79D73-E75 PolarHBondContact O-N 2.8Å; D73-E75 WeakPolarHBondContact OD1-CB 3.49Å; D73-E75 PolarHBondContact OD1-N 3.13Å; E75-I78 PolarHBondContact O-N 3.04Å; E75-R79 WeakPolarHBondContact O-CB 3.31Å; E75-R79 PolarHBondContact O-N 2.78Å
76R91.1Very high86.2Confident174 Ų174115.2 Ų115.266%0.65757%0.567SS**Hα-helixtrans-60.1-45.6172.8-179.6180175.6171-1111D73 R79 I80D73-R76 HydrophobicContact CB-CB 3.81Å; D73-R76 WeakPolarHBondContact O-CB 3.33Å; D73-R76 PolarHBondContact O-N 2.77Å; D73-R76 VanDerWaalsContact O-N 3.1Å; R76-R79 PolarHBondContact O-N 3.39Å; R76-I80 HydrophobicContact CG-CD1 4.02Å; R76-I80 WeakPolarHBondContact O-CG1 3.33Å; R76-I80 PolarHBondContact O-N 2.91Å
77L90.8Very high86.2Confident87 Ų87116.4 Ų116.446%0.45557%0.572SS.*Hα-helixtrans-61-49177.2-71.9-178.7000111.9I72 D73 L74 R79 I80 Q81I72-L77 HydrophobicContact CG2-CD1 3.35Å; I72-L77 HydrophobicContact CG2-CG 4.07Å; D73-L77 PolarHBondContact O-N 2.79Å; L74-L77 PolarHBondContact O-N 3.26Å; L77-R79 PolarHBondContact O-N 3.22Å; L77-I80 PolarHBondContact O-N 3.09Å; L77-I80 VanDerWaalsContact O-N 3.14Å; L77-Q81 PolarHBondContact O-N 3.44Å
78I89.1Confident86Confident77 Ų77118.8 Ų118.840%0.39558%0.575SS.*Hα-helixtrans-57.9-39.2176.9-68.7165.5000110.7L74 E75 R82L74-I78 HydrophobicContact CD1-CD1 4.42Å; L74-I78 HydrophobicContact CG-CD1 3.96Å; L74-I78 VanDerWaalsContact O-CG1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.12Å; E75-I78 PolarHBondContact O-N 3.04Å; I78-R82 WeakPolarHBondContact O-CB 3.49Å; I78-R82 PolarHBondContact O-N 3.26Å
79R89.7Confident85.5Confident164 Ų164118.6 Ų118.662%0.61956%0.556SS**Hα-helixtrans-68.3-40.2178.1-171.8175.7-175.5165.6-0.5112.5E75 R76 L77 R82 K83E75-R79 WeakPolarHBondContact O-CB 3.31Å; E75-R79 PolarHBondContact O-N 2.78Å; R76-R79 PolarHBondContact O-N 3.39Å; L77-R79 PolarHBondContact O-N 3.22Å; R79-R82 PolarHBondContact O-N 2.77Å; R79-K83 WeakPolarHBondContact O-CG 3.44Å; R79-K83 PolarHBondContact O-N 3.24Å; R79-K83 VanDerWaalsContact O-N 3.08Å
80I91.5Very high84.9Confident69 Ų69119.9 Ų119.935%0.35456%0.561SS.*Hα-helixtrans-61.7-51.1174.6-69.9165.5000109.4R76 L77 R82 K83 E84R76-I80 HydrophobicContact CG-CD1 4.02Å; R76-I80 WeakPolarHBondContact O-CG1 3.33Å; R76-I80 PolarHBondContact O-N 2.91Å; L77-I80 PolarHBondContact O-N 3.09Å; L77-I80 VanDerWaalsContact O-N 3.14Å; I80-R82 VanDerWaalsContact C-N 3.3Å; I80-R82 PolarHBondContact O-N 2.87Å; I80-K83 WeakPolarHBondContact O-CB 3.48Å; I80-K83 PolarHBondContact O-N 3.11Å; I80-E84 HydrophobicContact CG2-CG 4.5Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.42Å; I80-E84 WeakPolarHBondContact O-CG 3.33Å; I80-E84 PolarHBondContact O-N 3.46Å
81Q89Confident84.6Confident122 Ų122116.8 Ų116.857%0.5757%0.565SS**Hα-helixtrans-57.2-42.1178.6-171.9-178.47.500112.1L77 E84 S85L77-Q81 PolarHBondContact O-N 3.44Å; Q81-E84 PolarHBondContact O-N 2.93Å; Q81-S85 PolarHBondContact O-N 3.06Å; Q81-S85 PolarHBondContact O-OG 3.11Å
82R86.1Confident84.1Confident167 Ų167114.6 Ų114.663%0.6356%0.556SS**Hα-helixtrans-64.1-39.3176.3-169.7-176-59.4162.33.6112.7I78 R79 I80 S85 S86I78-R82 WeakPolarHBondContact O-CB 3.49Å; I78-R82 PolarHBondContact O-N 3.26Å; R79-R82 PolarHBondContact O-N 2.77Å; I80-R82 VanDerWaalsContact C-N 3.3Å; I80-R82 PolarHBondContact O-N 2.87Å; R82-S85 WeakPolarHBondContact CA-OG 3.4Å; R82-S85 PolarHBondContact O-OG 3.12Å; R82-S85 VanDerWaalsContact O-OG 3.07Å; R82-S86 VanDerWaalsContact O-CB 3.32Å; R82-S86 WeakPolarHBondContact O-CB 3.44Å; R82-S86 PolarHBondContact O-N 2.83Å
83K88.6Confident83.7Confident126 Ų126115.9 Ų115.955%0.54856%0.564SS.*Hα-helixtrans-65.9-42.5176-77.5179.9174.1-175.20110.9R79 I80 S86 K87R79-K83 WeakPolarHBondContact O-CG 3.44Å; R79-K83 PolarHBondContact O-N 3.24Å; R79-K83 VanDerWaalsContact O-N 3.08Å; I80-K83 WeakPolarHBondContact O-CB 3.48Å; I80-K83 PolarHBondContact O-N 3.11Å; K83-S86 PolarHBondContact O-N 2.92Å; K83-K87 WeakPolarHBondContact O-CG 3.47Å; K83-K87 PolarHBondContact O-N 2.92Å
84E87.2Confident82.9Confident108 Ų108121.7 Ų121.751%0.50558%0.58SS.*Hα-helixtrans-65.6-44.8178-70.9175177.700112.4I80 Q81 S86 K87 K88I80-E84 HydrophobicContact CG2-CG 4.5Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.42Å; I80-E84 WeakPolarHBondContact O-CG 3.33Å; I80-E84 PolarHBondContact O-N 3.46Å; Q81-E84 PolarHBondContact O-N 2.93Å; E84-S86 VanDerWaalsContact C-N 3.34Å; E84-S86 PolarHBondContact O-N 2.77Å; E84-K87 PolarHBondContact O-N 3.21Å; E84-K88 WeakPolarHBondContact O-CG 3.35Å; E84-K88 PolarHBondContact O-N 2.87Å
85S82.7Confident81.8Confident22 Ų22118.9 Ų118.915%0.15457%0.574CS.*Hα-helixtrans-64.1-39.3175.963.80000111.8Q81 R82 K87 K88 I89 P97Q81-S85 PolarHBondContact O-N 3.06Å; Q81-S85 PolarHBondContact O-OG 3.11Å; R82-S85 WeakPolarHBondContact CA-OG 3.4Å; R82-S85 PolarHBondContact O-OG 3.12Å; R82-S85 VanDerWaalsContact O-OG 3.07Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact O-N 3.12Å; S85-K88 WeakPolarHBondContact O-CB 3.34Å; S85-K88 PolarHBondContact O-N 3.36Å; S85-K88 VanDerWaalsContact O-N 3.16Å; S85-I89 PolarHBondContact O-N 3.18Å; S85-P97 WeakPolarHBondContact CB-O 3.2Å
86S81.6Confident80.8Confident65 Ų65115.7 Ų115.746%0.45557%0.566SS.*Hα-helixtrans-62.5-37.2174.5-171.20000112.8R82 K83 E84 K88 I89R82-S86 VanDerWaalsContact O-CB 3.32Å; R82-S86 WeakPolarHBondContact O-CB 3.44Å; R82-S86 PolarHBondContact O-N 2.83Å; K83-S86 PolarHBondContact O-N 2.92Å; E84-S86 VanDerWaalsContact C-N 3.34Å; E84-S86 PolarHBondContact O-N 2.77Å; S86-K88 VanDerWaalsContact C-N 3.28Å; S86-K88 PolarHBondContact O-N 2.78Å; S86-I89 PolarHBondContact O-N 2.82Å
87K83.7Confident79.6Confident159 Ų159110.4 Ų110.469%0.69156%0.555SS**Hα-helixtrans-64.9-31.3175.7-74.5176.9-179.5-175.10112.5K83 E84 S85 I89K83-K87 WeakPolarHBondContact O-CG 3.47Å; K83-K87 PolarHBondContact O-N 2.92Å; E84-K87 PolarHBondContact O-N 3.21Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact O-N 3.12Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 2.89Å
88K77.9Confident78.3Confident145 Ų145112.6 Ų112.663%0.6357%0.567SS**Hα-helixtrans-69.9-26.8178.3-66.4175.5-175.6-178.90113.2E84 S85 S86E84-K88 WeakPolarHBondContact O-CG 3.35Å; E84-K88 PolarHBondContact O-N 2.87Å; S85-K88 WeakPolarHBondContact O-CB 3.34Å; S85-K88 PolarHBondContact O-N 3.36Å; S85-K88 VanDerWaalsContact O-N 3.16Å; S86-K88 VanDerWaalsContact C-N 3.28Å; S86-K88 PolarHBondContact O-N 2.78Å
89I73.5Confident77.1Confident67 Ų67111.3 Ų111.334%0.34457%0.572SS.*Hα-helixtrans-79.5-27.1-177.8-63.3168.9000111.8S85 S86 K87 G91 P97S85-I89 PolarHBondContact O-N 3.18Å; S86-I89 PolarHBondContact O-N 2.82Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 2.89Å; I89-G91 PolarHBondContact O-N 3.1Å; I89-P97 HydrophobicContact CD1-CB 4.24Å
90I71.9Confident75.6Confident131 Ų131110.6 Ų110.667%0.67259%0.587SS**THydrogen-bonded Turntrans-69.7116.8-175.7-60.3169.3000109.9K92I90-K92 PolarHBondContact O-N 2.64Å
91G73.9Confident74.4Confident85 Ų85111.8 Ų111.888%0.87659%0.591SS**THydrogen-bonded Turntrans81.55.9172.400000116.2I89I89-G91 PolarHBondContact O-N 3.1Å
92K70.3Confident73.2Confident157 Ų157114 Ų11468%0.68360%0.601SS**SBendtrans-117.9158.4177.3-65.3-177.6-178.9-177.60110.8I90 W94I90-K92 PolarHBondContact O-N 2.64Å; K92-W94 PolarHBondContact O-N 3.42Å
93N72.7Confident72.1Confident160 Ų160113.6 Ų113.686%0.85661%0.61SS**  trans-53.8137.4168.9-71.34.3000108.9A95N93-A95 PolarHBondContact O-N 3.11Å
94W71.3Confident70.9Confident200 Ų200111.6 Ų111.676%0.75861%0.605SS**  trans-53.4116.8-177.7-179.486.8000110K92K92-W94 PolarHBondContact O-N 3.42Å
95A66.4Low69.6Low58 Ų58109.1 Ų109.148%0.47961%0.608SS.*  trans-118.1141.5169.200000107.3N93N93-A95 PolarHBondContact O-N 3.11Å
96P68.7Low68.4Low87 Ų87117 Ų11757%0.56565%0.647SS**  trans-56.3136.9178.421.7-31.2000110.2N98P96-N98 PolarHBondContact O-N 3.21Å; P96-N98 VanDerWaalsContact O-N 3.16Å
97P64.3Low67.5Low63 Ų63117.5 Ų117.541%0.40966%0.663SS.*SBendtrans-70.5-10.3-172.525.4-33.6000114.3S85 I89S85-P97 WeakPolarHBondContact CB-O 3.2Å; I89-P97 HydrophobicContact CD1-CB 4.24Å
98N65.2Low66.5Low132 Ų132111.1 Ų111.171%0.70664%0.638SS**  trans-78.5130.3-178.3-67.4-1.7000108.6P96P96-N98 PolarHBondContact O-N 3.21Å; P96-N98 VanDerWaalsContact O-N 3.16Å
99G62.5Low65.9Low50 Ų50108.5 Ų108.552%0.51564%0.639SS.*  trans-63.9179171.200000111.2H101G99-H101 PolarHBondContact O-N 3.22Å
100T57.8Low65.2Low150 Ų150109.5 Ų109.592%0.9264%0.644SS**  trans-49103.6174.449.40000109.9
101H66.3Low64.6Low94 Ų94106 Ų10644%0.43563%0.626SS.*  trans-75.7153.4166.147.7-67.3000108.2G99 L103 D111G99-H101 PolarHBondContact O-N 3.22Å; H101-L103 PolarHBondContact O-N 2.88Å; H101-D111 IonicContact CD2-OD1 2.7Å; H101-D111 IonicContact CD2-OD2 3.76Å; H101-D111 PolarHBondContact CD2-OD2 3.35Å; H101-D111 IonicContact CE1-OD1 3.29Å; H101-D111 PolarHBondContact CE1-OD1 2.9Å; H101-D111 IonicContact CE1-OD2 2.86Å; H101-D111 IonicContact NE2-OD1 2.76Å; H101-D111 PolarHBondContact NE2-OD1 3.49Å; H101-D111 IonicContact NE2-OD2 3.8Å; H101-D111 PolarHBondContact NE2-OD2 2.88Å
102H65.6Low64.1Low169 Ų169105.3 Ų105.378%0.78261%0.605SS**  trans-57.7132.2173.7-66.9-75.9000108.2L104H102-L104 PolarHBondContact O-N 3.22Å
103L62Low63.7Low157 Ų157105.2 Ų105.282%0.82261%0.605SS**  trans-54.8107171.6-73163.1000107.2H101H101-L103 PolarHBondContact O-N 2.88Å
104L62.8Low63.3Low84 Ų84102.8 Ų102.844%0.4460%0.601SS.*  trans-81.7130.8175.1-70.2161.5000107.1H102 S108 I110H102-L104 PolarHBondContact O-N 3.22Å; L104-S108 VanDerWaalsContact CB-CB 3.45Å; L104-S108 WeakPolarHBondContact CB-OG 3.46Å; L104-S108 PolarHBondContact O-OG 3.2Å; L104-I110 HydrophobicContact CD1-CD1 3.36Å; L104-I110 HydrophobicContact CD1-CG1 3.56Å
105G61Low63Low56 Ų5696 Ų9658%0.57759%0.593SS**  trans-66.4-178.8-17300000113.9G107 S108G105-G107 PolarHBondContact O-N 3.26Å; G105-G107 VanDerWaalsContact O-N 3.11Å; G105-S108 PolarHBondContact O-N 3.29Å; G105-S108 PolarHBondContact O-OG 2.92Å; G105-S108 VanDerWaalsContact O-OG 3.04Å
106L56.7Low62.9Low187 Ų18799.8 Ų99.898%0.97961%0.613SS**THydrogen-bonded Turntrans-45.7118.4175.5-78.2156.6000111.4
107G63.1Low62.8Low76 Ų7698.1 Ų98.178%0.78460%0.599SS**THydrogen-bonded Turntrans111.7-7.6177.700000115.9G105G105-G107 PolarHBondContact O-N 3.26Å; G105-G107 VanDerWaalsContact O-N 3.11Å
108S63Low63Low25 Ų2598.8 Ų98.818%0.17561%0.605CS.*  trans-77.3146.4169.352.20000111.7L104 G105 I110 T112L104-S108 VanDerWaalsContact CB-CB 3.45Å; L104-S108 WeakPolarHBondContact CB-OG 3.46Å; L104-S108 PolarHBondContact O-OG 3.2Å; G105-S108 PolarHBondContact O-N 3.29Å; G105-S108 PolarHBondContact O-OG 2.92Å; G105-S108 VanDerWaalsContact O-OG 3.04Å; S108-I110 WeakPolarHBondContact CB-O 3.31Å; S108-I110 PolarHBondContact O-N 3.3Å; S108-I110 PolarHBondContact OG-O 3.15Å; S108-T112 PolarHBondContact O-OG1 3.39Å
109S64.4Low63.1Low91 Ų91102.4 Ų102.464%0.63661%0.61SS**SBendtrans-75.1-4.6175.762.90000114
110I58.9Low63.2Low88 Ų88107.4 Ų107.445%0.45162%0.618SS.*SBendtrans-125139.6178.350171.5000107.3L104 S108 T112L104-I110 HydrophobicContact CD1-CD1 3.36Å; L104-I110 HydrophobicContact CD1-CG1 3.56Å; S108-I110 WeakPolarHBondContact CB-O 3.31Å; S108-I110 PolarHBondContact O-N 3.3Å; S108-I110 PolarHBondContact OG-O 3.15Å; I110-T112 VanDerWaalsContact C-N 3.27Å; I110-T112 PolarHBondContact O-N 2.89Å
111D60.5Low63.3Low57 Ų57109.5 Ų109.531%0.30561%0.609SS.*SBendtrans64.211.7-173.3-59-21.5000118.3H101 F113H101-D111 IonicContact CD2-OD1 2.7Å; H101-D111 IonicContact CD2-OD2 3.76Å; H101-D111 PolarHBondContact CD2-OD2 3.35Å; H101-D111 IonicContact CE1-OD1 3.29Å; H101-D111 PolarHBondContact CE1-OD1 2.9Å; H101-D111 IonicContact CE1-OD2 2.86Å; H101-D111 IonicContact NE2-OD1 2.76Å; H101-D111 PolarHBondContact NE2-OD1 3.49Å; H101-D111 IonicContact NE2-OD2 3.8Å; H101-D111 PolarHBondContact NE2-OD2 2.88Å; D111-F113 PolarHBondContact O-N 2.94Å
112T61.9Low63Low71 Ų71110.5 Ų110.544%0.43662%0.624SS.*  trans-59.8-25.2178.8-24.20000113.1S108 I110S108-T112 PolarHBondContact O-OG1 3.39Å; I110-T112 VanDerWaalsContact C-N 3.27Å; I110-T112 PolarHBondContact O-N 2.89Å
113F62.6Low62.9Low154 Ų154109.8 Ų109.868%0.67563%0.625SS**  trans-107.189.8-175-69.4-52.4000110D111 I117D111-F113 PolarHBondContact O-N 2.94Å; F113-I117 HydrophobicContact CB-CD1 3.66Å; F113-I117 HydrophobicContact CD1-CD1 3.43Å; F113-I117 VanDerWaalsContact CD1-CD1 3.43Å; F113-I117 HydrophobicContact CD1-CG1 4.47Å; F113-I117 HydrophobicContact CE1-CD1 4.24Å; F113-I117 HydrophobicContact CG-CD1 3.63Å
114S64.2Low62.8Low109 Ų109108.3 Ų108.376%0.76262%0.623SS**  trans-100.2132.4171.367.70000111.1
115G65.3Low62.7Low59 Ų59115.1 Ų115.161%0.60864%0.642SS**SBendtrans91.1169.9176.300000114.6I117G115-I117 PolarHBondContact O-N 3.1Å
116P63.3Low62.9Low136 Ų136119.6 Ų119.688%0.88365%0.652SS**  trans-69.7103.3-178.927.6-32.5000110.6S118P116-S118 PolarHBondContact O-N 3.04Å
117I67.4Low63.3Low53 Ų53118.1 Ų118.127%0.27265%0.646SS.*  trans-72.8117.6174.2-58.6162.7000108.6F113 G115 Y119 F120F113-I117 HydrophobicContact CB-CD1 3.66Å; F113-I117 HydrophobicContact CD1-CD1 3.43Å; F113-I117 VanDerWaalsContact CD1-CD1 3.43Å; F113-I117 HydrophobicContact CD1-CG1 4.47Å; F113-I117 HydrophobicContact CE1-CD1 4.24Å; F113-I117 HydrophobicContact CG-CD1 3.63Å; G115-I117 PolarHBondContact O-N 3.1Å; I117-Y119 HydrophobicContact CG2-CD2 4.22Å; I117-Y119 PolarHBondContact O-N 3.27Å; I117-F120 HydrophobicContact CB-CB 4.32Å; I117-F120 HydrophobicContact CB-CD2 3.74Å; I117-F120 HydrophobicContact CD1-CD2 3.61Å; I117-F120 HydrophobicContact CD1-CE2 3.94Å; I117-F120 HydrophobicContact CG1-CD2 4.3Å; I117-F120 HydrophobicContact CG2-CD2 3.56Å; I117-F120 HydrophobicContact CG2-CE2 4.24Å; I117-F120 PolarHBondContact O-N 3.05Å
118S67.7Low63.5Low77 Ų77121 Ų12154%0.53864%0.643SS.*G310 helixtrans-51.6-33.7-177.851.40000113.6P116P116-S118 PolarHBondContact O-N 3.04Å
119Y68Low64Low208 Ų208128.3 Ų128.382%0.81667%0.674SS**G310 helixtrans-82.8-16.2-178.4-53.3-74000114.8I117I117-Y119 HydrophobicContact CG2-CD2 4.22Å; I117-Y119 PolarHBondContact O-N 3.27Å
120F64.3Low64.1Low155 Ų155135.7 Ų135.768%0.6869%0.688SS**G310 helixtrans-97.619.3176.1-75.1-72.5000112.8I117I117-F120 HydrophobicContact CB-CB 4.32Å; I117-F120 HydrophobicContact CB-CD2 3.74Å; I117-F120 HydrophobicContact CD1-CD2 3.61Å; I117-F120 HydrophobicContact CD1-CE2 3.94Å; I117-F120 HydrophobicContact CG1-CD2 4.3Å; I117-F120 HydrophobicContact CG2-CD2 3.56Å; I117-F120 HydrophobicContact CG2-CE2 4.24Å; I117-F120 PolarHBondContact O-N 3.05Å
121R60.4Low64.9Low194 Ų194139 Ų13973%0.73271%0.705SS**SBendtrans-60130.6163.6-74.3-178.3173.1-176.5-1.1107.4L123R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.2Å
122P60.3Low65.7Low115 Ų115140.8 Ų140.875%0.74772%0.722SS**  trans-57106.6163.124.9-29.3000104.3T124P122-T124 PolarHBondContact O-N 2.9Å
123L62.6Low66.3Low154 Ų154145.8 Ų145.881%0.80674%0.74SS**  trans-56.6102.1168.6-68.6171.7000103.1R121 R125R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.2Å; L123-R125 PolarHBondContact O-N 3.17Å
124T60.1Low67Low126 Ų126147.5 Ų147.577%0.77375%0.747SS**  trans-58.191.1161.535.50000102.7P122 L126P122-T124 PolarHBondContact O-N 2.9Å; T124-L126 VanDerWaalsContact C-N 3.26Å; T124-L126 PolarHBondContact O-N 3.19Å
125R61.3Low67.6Low226 Ų226151.3 Ų151.385%0.85375%0.75SS**  trans-53.8108.3167.4-68.3-171.8-175.4-168.41.1102.2L123 N127L123-R125 PolarHBondContact O-N 3.17Å; R125-N127 VanDerWaalsContact C-N 3.34Å; R125-N127 PolarHBondContact O-N 2.64Å
126L65.7Low68.2Low151 Ų151155.1 Ų155.179%0.79176%0.757SS**  trans-50.8114.5168.9-106.1114.5000103.5T124 N128T124-L126 VanDerWaalsContact C-N 3.26Å; T124-L126 PolarHBondContact O-N 3.19Å; L126-N128 PolarHBondContact O-N 3.41Å
127N63.9Low68.6Low156 Ų156158.2 Ų158.283%0.83476%0.756SS**  trans-63.890.1171.1-104-20.1000103.8R125 Q129R125-N127 VanDerWaalsContact C-N 3.34Å; R125-N127 PolarHBondContact O-N 2.64Å; N127-Q129 VanDerWaalsContact C-N 3.31Å; N127-Q129 PolarHBondContact O-N 3.3Å
128N68.4Low68.7Low136 Ų136165.9 Ų165.973%0.72778%0.784SS**  trans-55.6107.1169.2-72.4-8000104.2L126 R130L126-N128 PolarHBondContact O-N 3.41Å; N128-R130 PolarHBondContact O-N 3.13Å
129Q71.9Confident68.6Low179 Ų179168.2 Ų168.284%0.83680%0.795SS**  trans-52.3120.1176.5-69.3-177.4-3.600105.6N127 I131N127-Q129 VanDerWaalsContact C-N 3.31Å; N127-Q129 PolarHBondContact O-N 3.3Å; Q129-I131 VanDerWaalsContact C-N 3.33Å; Q129-I131 PolarHBondContact O-N 3.41Å
130R67.9Low68.5Low245 Ų245163.5 Ų163.593%0.92579%0.792SS**  trans-62.6100.3-179.8-78.8-175172.4-175-4.4107.4N128 S132N128-R130 PolarHBondContact O-N 3.13Å; R130-S132 PolarHBondContact O-N 2.97Å; R130-S132 VanDerWaalsContact O-N 3.08Å
131I75Confident68.7Low158 Ų158161.4 Ų161.481%0.8179%0.794SS**  trans-64.5111.5169.7-56.2171.8000105.4Q129 H133Q129-I131 VanDerWaalsContact C-N 3.33Å; Q129-I131 PolarHBondContact O-N 3.41Å; I131-H133 PolarHBondContact O-N 2.99Å
132S77.2Confident68.7Low95 Ų95156.1 Ų156.166%0.66479%0.792SS**PPolyproline II helixtrans-65.3120.2174.4102.80000107.3R130 K134R130-S132 PolarHBondContact O-N 2.97Å; R130-S132 VanDerWaalsContact O-N 3.08Å; S132-K134 PolarHBondContact O-N 3.05Å; S132-K134 VanDerWaalsContact O-N 3.17Å
133H75.4Confident68.7Low175 Ų175160.3 Ų160.381%0.8180%0.798SS**PPolyproline II helixtrans-59.1119.8170.835-90.9000108.2I131I131-H133 PolarHBondContact O-N 2.99Å
134K76.5Confident68.3Low190 Ų190162.7 Ų162.783%0.82680%0.802SS**PPolyproline II helixtrans-62.1144.8170.7-68.2-178.9179.7178.60108S132 N136S132-K134 PolarHBondContact O-N 3.05Å; S132-K134 VanDerWaalsContact O-N 3.17Å; K134-N136 PolarHBondContact O-N 2.7Å
135K77.4Confident67.9Low190 Ų190159.2 Ų159.283%0.82679%0.791SS**PPolyproline II helixtrans-53.8135.1176.6-73.7-179.3178178.90109.3F137K135-F137 PolarHBondContact O-N 2.61Å
136N77.8Confident67Low138 Ų138155.1 Ų155.174%0.73880%0.796SS**PPolyproline II helixtrans-55.6137169.1-67.3-19000108.9K134 Y138K134-N136 PolarHBondContact O-N 2.7Å; N136-Y138 PolarHBondContact O-N 3.27Å; N136-Y138 VanDerWaalsContact O-N 3.13Å
137F70.3Confident66.2Low201 Ų201150.9 Ų150.988%0.88279%0.789SS**  trans-63.5115.1169.5-71.6-80.8000108K135 T139K135-F137 PolarHBondContact O-N 2.61Å; F137-T139 PolarHBondContact O-N 3.06Å
138Y69.5Low65.7Low214 Ų214148.7 Ų148.784%0.83979%0.786SS**  trans-74.4104.1169.5-70.6-81.7000107.8N136N136-Y138 PolarHBondContact O-N 3.27Å; N136-Y138 VanDerWaalsContact O-N 3.13Å
139T66Low65.4Low127 Ų127151.6 Ų151.678%0.77979%0.788SS**  trans-87.6105158.451.20000106.1F137 P141F137-T139 PolarHBondContact O-N 3.06Å; T139-P141 VanDerWaalsContact C-CD 3.45Å; T139-P141 WeakPolarHBondContact O-CD 3.47Å
140S66.4Low65.1Low109 Ų109148.4 Ų148.476%0.76278%0.776SS**  trans-85.991.4158.951.80000106A142S140-A142 PolarHBondContact O-N 3.27Å
141P67.8Low64.9Low110 Ų110142.2 Ų142.271%0.71476%0.761SS**  trans-56.2130.9171.526-33.4000107.1T139 K143T139-P141 VanDerWaalsContact C-CD 3.45Å; T139-P141 WeakPolarHBondContact O-CD 3.47Å; P141-K143 PolarHBondContact O-N 2.92Å; P141-K143 VanDerWaalsContact O-N 3.07Å
142A61.6Low64.4Low83 Ų83140.7 Ų140.769%0.68675%0.753SS**  trans-54122.817700000107.8S140 K144S140-A142 PolarHBondContact O-N 3.27Å; A142-K144 PolarHBondContact O-N 2.94Å
143K59.3Low64Low203 Ų203141.2 Ų141.288%0.88375%0.752SS**  trans-68.674-179.3-157.5-179.2-173.4-172.20109.2P141 G145P141-K143 PolarHBondContact O-N 2.92Å; P141-K143 VanDerWaalsContact O-N 3.07Å; K143-G145 PolarHBondContact O-N 3.44Å
144K55.4Low64Low204 Ų204141.9 Ų141.989%0.88776%0.76SS**  trans-89.677.9166.6-69.2-165.2178.3-1730107.3A142A142-K144 PolarHBondContact O-N 2.94Å
145G51.3Low64.2Low53 Ų53135 Ų13555%0.54674%0.742SS.*SBendtrans169.3106.7177.500000115.3K143K143-G145 PolarHBondContact O-N 3.44Å
146C41.6Very low64.3Low141 Ų141134.8 Ų134.895%0.95374%0.741SS**  trans52.2105.3144.9-150.30000118.7
147G50.2Low64.3Low62 Ų62134.3 Ų134.364%0.63973%0.73SS**  trans162.187.1164.100000112.7
148S52.6Low64.7Low110 Ų110129.5 Ų129.577%0.76972%0.719SS**  trans38.697.2159.959.30000117
149Y62.1Low65.3Low197 Ų197125.6 Ų125.677%0.77371%0.713SS**  trans-70.1136.8164.9-61.9-79.9000110.4I152Y149-I152 WeakPolarHBondContact O-CD1 3.25Å; Y149-I152 VanDerWaalsContact O-CG1 3.3Å; Y149-I152 WeakPolarHBondContact O-CG1 3.47Å
150I65.8Low65.9Low112 Ų112128.7 Ų128.757%0.57471%0.712SS**SBendtrans-71.4131.7160.5-62.6164.4000104.9Y157I150-Y157 HydrophobicContact CG2-CD1 3.64Å; I150-Y157 HydrophobicContact CG2-CD2 3.64Å; I150-Y157 HydrophobicContact CG2-CE1 3.95Å; I150-Y157 HydrophobicContact CG2-CE2 3.95Å; I150-Y157 HydrophobicContact CG2-CG 3.46Å; I150-Y157 VanDerWaalsContact CG2-CG 3.46Å
151D63Low66.5Low114 Ų114132.5 Ų132.561%0.6171%0.714SS**  trans91.235.7-169.9-59.1-26.3000118.2Y157D151-Y157 WeakPolarHBondContact OD1-CB 3.33Å
152I64.7Low67Low127 Ų127131.3 Ų131.365%0.65171%0.708SS**  trans-86.9-14.4172.5-60.9166.3000112.8Y149Y149-I152 WeakPolarHBondContact O-CD1 3.25Å; Y149-I152 VanDerWaalsContact O-CG1 3.3Å; Y149-I152 WeakPolarHBondContact O-CG1 3.47Å
153T68.8Low67.8Low105 Ų105131.2 Ų131.264%0.64470%0.696SS**SBendtrans-100.6153.8-176.4500000112.4G155T153-G155 PolarHBondContact O-N 3.3Å; T153-G155 PolarHBondContact OG1-O 2.96Å
154I76.6Confident68.4Low190 Ų190126 Ų12697%0.97468%0.683SS**SBendtrans-59.1-20.6178.5-58.9169.9000112.5
155G79.2Confident69.2Low44 Ų44126 Ų12645%0.45468%0.679SS.*SBendtrans-92.4142.1175.700000113.5T153 Y157T153-G155 PolarHBondContact O-N 3.3Å; T153-G155 PolarHBondContact OG1-O 2.96Å; G155-Y157 PolarHBondContact O-N 2.89Å
156K80Confident69.7Low186 Ų186128.9 Ų128.981%0.80968%0.682SS**PPolyproline II helixtrans-57.6129.2173.7-170174.1-175.4174.70110.8
157Y77.5Confident70.7Confident128 Ų128130 Ų13050%0.50267%0.671SS.*PPolyproline II helixtrans-60.4131.9177-161.7-97.6000110.6I150 D151 G155 N159I150-Y157 HydrophobicContact CG2-CD1 3.64Å; I150-Y157 HydrophobicContact CG2-CD2 3.64Å; I150-Y157 HydrophobicContact CG2-CE1 3.95Å; I150-Y157 HydrophobicContact CG2-CE2 3.95Å; I150-Y157 HydrophobicContact CG2-CG 3.46Å; I150-Y157 VanDerWaalsContact CG2-CG 3.46Å; D151-Y157 WeakPolarHBondContact OD1-CB 3.33Å; G155-Y157 PolarHBondContact O-N 2.89Å; Y157-N159 PolarHBondContact O-N 3.49Å
158P78.4Confident71.3Confident100 Ų100134.3 Ų134.365%0.64968%0.679SS**PPolyproline II helixtrans-63.5131.8-17923.4-31.2000110.7Y160P158-Y160 PolarHBondContact O-N 3.27Å
159N82.1Confident71.7Confident133 Ų133138.9 Ų138.971%0.71169%0.685SS**PPolyproline II helixtrans-60.1129.2175.5-69.1-20.7000109.8Y157 K161Y157-N159 PolarHBondContact O-N 3.49Å; N159-K161 PolarHBondContact O-N 3.26Å
160Y80.2Confident71.6Confident192 Ų192138.7 Ų138.775%0.75369%0.688SS**PPolyproline II helixtrans-53.8122.7172.7176.6-99.9000110.4P158P158-Y160 PolarHBondContact O-N 3.27Å
161K79.1Confident71.2Confident189 Ų189138.6 Ų138.682%0.82270%0.695SS**  trans-112.3117.9168-70.3-174.7178.2-179.40107.2N159 D163N159-K161 PolarHBondContact O-N 3.26Å; K161-D163 PolarHBondContact O-N 2.69Å
162S78.4Confident70.9Confident84 Ų84135.9 Ų135.959%0.58769%0.685SS**  trans-59.5131.4173.256.70000110.3
163D77.4Confident70.6Confident81 Ų81136.8 Ų136.843%0.43369%0.689SS.*  trans-62.9133175.6-166.3-34.9000109.9K161 Y165 D166K161-D163 PolarHBondContact O-N 2.69Å; D163-Y165 PolarHBondContact O-N 2.96Å; D163-Y165 WeakPolarHBondContact OD1-CD2 3.32Å; D163-Y165 PolarHBondContact OD1-N 3.08Å; D163-D166 HydrophobicContact CB-CB 4.36Å; D163-D166 PolarHBondContact O-N 3.29Å
164P72.6Confident69.9Low93 Ų93140.9 Ų140.960%0.60470%0.698SS**THydrogen-bonded Turntrans-53.5-19.8172.120.1-33.2000114.7
165Y70.5Confident68.7Low205 Ų205139.7 Ų139.780%0.80469%0.689SS**THydrogen-bonded Turntrans-87.1-15176.4-62.3-72.6000114.5D163 K167D163-Y165 PolarHBondContact O-N 2.96Å; D163-Y165 WeakPolarHBondContact OD1-CD2 3.32Å; D163-Y165 PolarHBondContact OD1-N 3.08Å; Y165-K167 PolarHBondContact O-N 3.49Å
166D63.8Low67.4Low113 Ų113141.7 Ų141.760%0.60470%0.695SS**  trans-78.929.3175.1-87-19.5000113.1D163 N168D163-D166 HydrophobicContact CB-CB 4.36Å; D163-D166 PolarHBondContact O-N 3.29Å; D166-N168 PolarHBondContact O-N 3.14Å
167K61.2Low66Low166 Ų166137 Ų13772%0.72269%0.686SS**  trans-78.191.3168.3-67.4179-170.9174.70107.9Y165 K169Y165-K167 PolarHBondContact O-N 3.49Å; K167-K169 PolarHBondContact O-N 2.92Å
168N63Low64.7Low151 Ų151134.6 Ų134.681%0.80769%0.688SS**  trans-42.6115.7159.3-78.1-33.9000108D166 K170D166-N168 PolarHBondContact O-N 3.14Å; N168-K170 PolarHBondContact O-N 3.08Å
169K61.7Low63.2Low206 Ų206133.9 Ų133.990%0.89669%0.691SS**  trans-53.4101.5177.9-78.8-179178175.60107.4K167 P171K167-K169 PolarHBondContact O-N 2.92Å; K169-P171 WeakPolarHBondContact O-CD 3.13Å; K169-P171 VanDerWaalsContact O-N 3.14Å
170K59.5Low61.9Low194 Ų194131.8 Ų131.884%0.84370%0.7SS**PPolyproline II helixtrans-58.2120.7173.2-71.1-175.6179.8178.80105.9N168 S172N168-K170 PolarHBondContact O-N 3.08Å; K170-S172 PolarHBondContact O-N 3.04Å
171P57.6Low60.7Low110 Ų110129.6 Ų129.671%0.71470%0.695SS**PPolyproline II helixtrans-56.3131.7175.423.9-32000107.3K169 I173K169-P171 WeakPolarHBondContact O-CD 3.13Å; K169-P171 VanDerWaalsContact O-N 3.14Å; P171-I173 PolarHBondContact O-N 3.07Å; P171-I173 VanDerWaalsContact O-N 3.1Å
172S56.1Low60.1Low56 Ų56128.9 Ų128.939%0.39269%0.691SS.*PPolyproline II helixtrans-56.3123.2-17683.20000108.4K170 K174 E175K170-S172 PolarHBondContact O-N 3.04Å; S172-K174 PolarHBondContact O-N 2.96Å; S172-E175 PolarHBondContact O-N 3Å
173I58.5Low59.2Low147 Ų147133.6 Ų133.675%0.75470%0.702SS**THydrogen-bonded Turntrans-59.2-13.1-178.9-67.3167.3000111.2P171 S176P171-I173 PolarHBondContact O-N 3.07Å; P171-I173 VanDerWaalsContact O-N 3.1Å; I173-S176 PolarHBondContact O-OG 3.35Å
174K54.6Low58.6Low191 Ų191136.1 Ų136.183%0.8371%0.706SS**THydrogen-bonded Turntrans-85.5-13.8177.2-68.9-174.4176.8-179.30114.9S172 S177S172-K174 PolarHBondContact O-N 2.96Å; K174-S177 PolarHBondContact O-OG 3.21Å
175E52.2Low58.3Low165 Ų165138.7 Ų138.777%0.77171%0.714SS**THydrogen-bonded Turntrans-98.5-19.2172.1-74.7177168.300112.9S172S172-E175 PolarHBondContact O-N 3Å
176S50.5Low58.1Low85 Ų85134.4 Ų134.459%0.59471%0.705SS**SBendtrans-882.7177.457.90000114.6I173I173-S176 PolarHBondContact O-OG 3.35Å
177S50.9Low58.1Low89 Ų89135.6 Ų135.662%0.62271%0.708SS**  trans-96.810.3-172.359.20000115.1K174 A179K174-S177 PolarHBondContact O-OG 3.21Å; S177-A179 VanDerWaalsContact C-N 3.3Å; S177-A179 PolarHBondContact O-N 3.06Å; S177-A179 VanDerWaalsContact O-N 3.09Å
178S49.6Very low58Low77 Ų77134.3 Ų134.354%0.53871%0.705SS.*SBendtrans-82.976.616463.40000110.6G180S178-G180 PolarHBondContact O-N 2.91Å
179A47.5Very low58Low85 Ų85132.4 Ų132.470%0.70270%0.701SS**THydrogen-bonded Turntrans34.770.4154.900000117.4S177 K181S177-A179 VanDerWaalsContact C-N 3.3Å; S177-A179 PolarHBondContact O-N 3.06Å; S177-A179 VanDerWaalsContact O-N 3.09Å; A179-K181 PolarHBondContact O-N 3.41Å
180G54.3Low58.2Low88 Ų88126.2 Ų126.291%0.90768%0.675SS**THydrogen-bonded Turntrans53.610.3146.900000119.7S178S178-G180 PolarHBondContact O-N 2.91Å
181K56.3Low58.4Low147 Ų147124.3 Ų124.364%0.63967%0.669SS**  trans-113.9111.2-179.5-79.8175.4-178.1165.60108.8A179 F183A179-K181 PolarHBondContact O-N 3.41Å; K181-F183 PolarHBondContact O-N 3.24Å
182K65.3Low58.8Low173 Ų173128.2 Ų128.275%0.75267%0.671SS**  trans-53114.5163.5-67.2179.6178.8-177.30107.6Y184K182-Y184 HydrophobicContact CB-CE2 4.31Å; K182-Y184 WeakPolarHBondContact O-CD2 3.39Å; K182-Y184 PolarHBondContact O-N 3.45Å
183F60.8Low59Low184 Ų184134.9 Ų134.981%0.80769%0.693SS**PPolyproline II helixtrans-66.2121.7169.5-75-87.6000107.8K181K181-F183 PolarHBondContact O-N 3.24Å
184Y64.3Low59.3Low134 Ų134134 Ų13453%0.52569%0.69SS.*PPolyproline II helixtrans-95.7120.7168.3-66.5-82.4000107.6K182 N186 V201K182-Y184 HydrophobicContact CB-CE2 4.31Å; K182-Y184 WeakPolarHBondContact O-CD2 3.39Å; K182-Y184 PolarHBondContact O-N 3.45Å; Y184-N186 PolarHBondContact O-N 3.02Å; Y184-V201 HydrophobicContact CD1-CG1 3.96Å; Y184-V201 HydrophobicContact CE1-CG1 3.53Å
185L65.5Low59.9Low147 Ų147131.3 Ų131.377%0.7768%0.679SS**PPolyproline II helixtrans-62.9116.3173.2-161.188.2000108.3
186N67.5Low60.9Low115 Ų115127.7 Ų127.762%0.61566%0.664SS**  trans-105.622.8-179.3-16539000112.4Y184Y184-N186 PolarHBondContact O-N 3.02Å
187M63.6Low61.9Low137 Ų137129 Ų12968%0.67567%0.671SS**PPolyproline II helixtrans-99.9136.8178.9-65.4-63.8-72.400110.2
188H57.7Low63Low139 Ų139134.8 Ų134.864%0.64468%0.68SS**SBendtrans-86.9149.1164.9-102.3-91000109.6
189P64.2Low63.8Low112 Ų112137.5 Ų137.573%0.72768%0.684SS**PPolyproline II helixcis-82.6130.5730.4-31.9000113.3
190Q65.1Low64.9Low75 Ų75140.4 Ų140.435%0.3568%0.683SS.*PPolyproline II helixtrans-67.4141.6162.5-79.3-177.5-19.300108.9Y192Q190-Y192 PolarHBondContact O-N 3.27Å; Q190-Y192 VanDerWaalsContact O-N 3.08Å
191Q65.2Low65.6Low154 Ų154140.1 Ų140.172%0.7266%0.664SS**PPolyproline II helixtrans-54.6117172.2-77172-4100109.1F193Q191-F193 VanDerWaalsContact C-N 3.27Å; Q191-F193 PolarHBondContact O-N 3.48Å
192Y64.2Low66Low192 Ų192142.8 Ų142.875%0.75367%0.67SS**SBendtrans-68.7-22.1-173.6-91.1-93.6000113.5Q190Q190-Y192 PolarHBondContact O-N 3.27Å; Q190-Y192 VanDerWaalsContact O-N 3.08Å
193F61.6Low66Low196 Ų196138.5 Ų138.586%0.8665%0.654SS**SBendtrans-113.2-10.7-162.6-67.1-76.4000116.6Q191Q191-F193 VanDerWaalsContact C-N 3.27Å; Q191-F193 PolarHBondContact O-N 3.48Å
194D64.9Low66Low129 Ų129139.3 Ų139.369%0.6966%0.657SS**  trans-111.88.6-176.3-68.2-37.2000114.4N196D194-N196 PolarHBondContact O-N 2.82Å; D194-N196 VanDerWaalsContact O-N 3.09Å
195K66.6Low65.7Low135 Ų135142.8 Ų142.859%0.58767%0.669SS**  trans-78.4104.1-179.1-145.1174-174.1179.20108.8P197K195-P197 VanDerWaalsContact O-CD 3.23Å; K195-P197 WeakPolarHBondContact O-CD 3.27Å
196N73.3Confident65.4Low89 Ų89145.7 Ų145.748%0.47667%0.67SS.*  trans-51.4111.8172.9-179.3-14.8000109.1D194 Y198 H199D194-N196 PolarHBondContact O-N 2.82Å; D194-N196 VanDerWaalsContact O-N 3.09Å; N196-Y198 PolarHBondContact O-N 3.12Å; N196-Y198 VanDerWaalsContact O-N 3.11Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.48Å; N196-Y198 WeakPolarHBondContact OD1-CD2 3.37Å; N196-Y198 PolarHBondContact OD1-N 3.24Å; N196-H199 HydrophobicContact CB-CB 4.18Å; N196-H199 PolarHBondContact O-N 3.04Å
197P70.6Confident64.9Low111 Ų111144.9 Ų144.972%0.72167%0.671SS**THydrogen-bonded Turntrans-66.6-17-172.626.2-34000112.6K195K195-P197 VanDerWaalsContact O-CD 3.23Å; K195-P197 WeakPolarHBondContact O-CD 3.27Å
198Y74.6Confident64.4Low212 Ų212147.7 Ų147.783%0.83168%0.68SS**THydrogen-bonded Turntrans-87.4-7177.8-54.9-70.9000113.5N196N196-Y198 PolarHBondContact O-N 3.12Å; N196-Y198 VanDerWaalsContact O-N 3.11Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.48Å; N196-Y198 WeakPolarHBondContact OD1-CD2 3.37Å; N196-Y198 PolarHBondContact OD1-N 3.24Å
199H66.7Low64.1Low134 Ų134146.9 Ų146.962%0.6269%0.685SS**  trans-113.588-174.2-141.1-63.4000112.1N196 V201N196-H199 HydrophobicContact CB-CB 4.18Å; N196-H199 PolarHBondContact O-N 3.04Å; H199-V201 PolarHBondContact O-N 3.26Å; H199-V201 VanDerWaalsContact O-N 3.13Å
200E70.1Confident63.6Low146 Ų146143.5 Ų143.568%0.68267%0.67SS**  trans-70.9103.9170.4-71.2-174.917600110.9R202E200-R202 PolarHBondContact O-N 2.72Å; E200-R202 IonicContact OE2-NE 3.73Å; E200-R202 IonicContact OE2-NH2 2.68Å
201V69.5Low63.2Low81 Ų81145.4 Ų145.449%0.49169%0.687SS.*  trans-74.693.4167.9-177.80000108.8Y184 H199 I203Y184-V201 HydrophobicContact CD1-CG1 3.96Å; Y184-V201 HydrophobicContact CE1-CG1 3.53Å; H199-V201 PolarHBondContact O-N 3.26Å; H199-V201 VanDerWaalsContact O-N 3.13Å; V201-I203 HydrophobicContact CG1-CG1 4.49Å; V201-I203 PolarHBondContact O-N 2.89Å
202R64.9Low62.7Low203 Ų203145.3 Ų145.377%0.76669%0.69SS**  trans-71.496172.1-68.1-174.6-179.5-171.1-0.8110E200 K204E200-R202 PolarHBondContact O-N 2.72Å; E200-R202 IonicContact OE2-NE 3.73Å; E200-R202 IonicContact OE2-NH2 2.68Å; R202-K204 PolarHBondContact O-N 3.32Å
203I65.5Low62.4Low83 Ų83146.5 Ų146.543%0.42669%0.693SS.*  trans-66.2105.1167.8-58.9166.8000106.7V201 R205V201-I203 HydrophobicContact CG1-CG1 4.49Å; V201-I203 PolarHBondContact O-N 2.89Å; I203-R205 PolarHBondContact O-N 2.68Å
204K60.7Low62.3Low201 Ų201143.5 Ų143.587%0.87469%0.686SS**  trans-64.387170.9-70.7-172.8-179.1-1780108.3R202 R206R202-K204 PolarHBondContact O-N 3.32Å; K204-R206 PolarHBondContact O-N 3.48Å
205R57.7Low61.9Low207 Ų207141.9 Ų141.978%0.78168%0.683SS**PPolyproline II helixtrans-59.8124.8162-74.6-175.5151161.1-4.5106.3I203I203-R205 PolarHBondContact O-N 2.68Å
206R59.2Low61.6Low208 Ų208141.8 Ų141.879%0.78569%0.693SS**PPolyproline II helixtrans-54.4134168.7-76.1-178173.1-174.3-5.4106.8K204 F208K204-R206 PolarHBondContact O-N 3.48Å; R206-F208 PolarHBondContact O-N 2.85Å
207P57.7Low61Low98 Ų98144.9 Ų144.964%0.63671%0.705SS**PPolyproline II helixtrans-52.7141.9169.123.9-31.3000107.4T209P207-T209 HydrophobicContact CB-CG2 4.29Å; P207-T209 HydrophobicContact CG-CG2 4.22Å; P207-T209 PolarHBondContact O-N 3.16Å
208F51.9Low60.6Low197 Ų197144.7 Ų144.786%0.86470%0.703SS**  trans-68.670.5175.4-165.9-92.2000108.3R206 G210R206-F208 PolarHBondContact O-N 2.85Å; F208-G210 PolarHBondContact O-N 3.34Å
209T52.5Low59.9Low122 Ų122144.7 Ų144.775%0.74871%0.708SS**  trans-88.554.1167.254.70000107.4P207P207-T209 HydrophobicContact CB-CG2 4.29Å; P207-T209 HydrophobicContact CG-CG2 4.22Å; P207-T209 PolarHBondContact O-N 3.16Å
210G52.9Low59.5Low40 Ų40142.5 Ų142.541%0.41271%0.707SS.*  trans-85.9104.7158.900000105.8F208 I212F208-G210 PolarHBondContact O-N 3.34Å; G210-I212 PolarHBondContact O-N 3.47Å; G210-I212 VanDerWaalsContact O-N 3.08Å
211T57.4Low59.4Low116 Ų116141.4 Ų141.471%0.71271%0.711SS**  trans-49.8121.1154.440.10000105.9R213T211-R213 PolarHBondContact O-N 3.49Å
212I54.3Low59.6Low151 Ų151146.8 Ų146.877%0.77473%0.728SS**  trans-63.788.1172.7-62167.8000104.9G210 N214G210-I212 PolarHBondContact O-N 3.47Å; G210-I212 VanDerWaalsContact O-N 3.08Å; I212-N214 PolarHBondContact O-N 3.44Å; I212-N214 VanDerWaalsContact O-N 3.12Å
213R57.9Low59.8Low218 Ų218145.9 Ų145.982%0.82373%0.729SS**  trans-68.9107.6165.1-69.5-174.2178.7-164.1-1.7104T211T211-R213 PolarHBondContact O-N 3.49Å
214N58.7Low60.3Low133 Ų133146.2 Ų146.271%0.71174%0.737SS**  trans-43.3129.8168.5-67.5-32.1000107.6I212 T216I212-N214 PolarHBondContact O-N 3.44Å; I212-N214 VanDerWaalsContact O-N 3.12Å; N214-T216 PolarHBondContact O-N 3.16Å
215P57.8Low61.2Low95 Ų95143.2 Ų143.262%0.61774%0.741SS**  trans-60.3105.3-178.823.9-31.8000108H217P215-H217 PolarHBondContact O-N 3.08Å
216T60.3Low62.1Low132 Ų132137.4 Ų137.481%0.8173%0.732SS**  trans-68.189.3159.2460000104.9N214 P218N214-T216 PolarHBondContact O-N 3.16Å; T216-P218 WeakPolarHBondContact O-CD 3.49Å
217H60Low63Low155 Ų155132 Ų13272%0.71873%0.732SS**  trans-56.6113.2166-67.6-72000106.1P215 K219P215-H217 PolarHBondContact O-N 3.08Å; H217-K219 PolarHBondContact O-N 2.71Å
218P61.5Low63.8Low106 Ų106132.9 Ų132.969%0.68874%0.741SS**  trans-56.6137.5163.626.8-31.2000105.3T216 S220T216-P218 WeakPolarHBondContact O-CD 3.49Å; P218-S220 PolarHBondContact O-N 3.11Å
219K60.4Low64.8Low212 Ų212129.5 Ų129.592%0.92273%0.726SS**  trans-6467.9165.8-69.3178.2-179.7176.40107.6H217 V221H217-K219 PolarHBondContact O-N 2.71Å; K219-V221 PolarHBondContact O-N 2.61Å
220S58Low65.7Low88 Ų88130.9 Ų130.962%0.61573%0.727SS**  trans-79.2100.8178.1-175.50000106.2P218 F222P218-S220 PolarHBondContact O-N 3.11Å; S220-F222 PolarHBondContact O-N 3.3Å
221V69.4Low66.5Low124 Ų124137.6 Ų137.675%0.75275%0.75SS**  trans-49.8136.6161.9-174.40000107.6K219 K223K219-V221 PolarHBondContact O-N 2.61Å; V221-K223 PolarHBondContact O-N 3.32Å
222F72Confident67.2Low194 Ų194136 Ų13685%0.85176%0.758SS**  trans-51.8104.6-179.9-159.2-91.3000109.2S220 P224S220-F222 PolarHBondContact O-N 3.3Å; F222-P224 WeakPolarHBondContact O-CD 3.45Å
223K70.1Confident67.9Low183 Ų183130.5 Ų130.580%0.79674%0.737SS**  trans-86.9115.2170.9-76.8-173.3176.3-175.70107V221V221-K223 PolarHBondContact O-N 3.32Å
224P76.7Confident68.5Low91 Ų91124.5 Ų124.559%0.59173%0.728SS**  trans-59.1150.6174.525.4-32.8000110.1F222 S226F222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-S226 PolarHBondContact O-N 2.69Å
225S79.7Confident68.9Low138 Ų138125.3 Ų125.397%0.96573%0.725SS**SBendtrans-67.7-13.1-178.353.40000114.1
226S76.7Confident69.1Low84 Ų84127.7 Ų127.759%0.58773%0.733SS**SBendtrans-121.9149-179.563.80000112P224P224-S226 PolarHBondContact O-N 2.69Å
227A77.5Confident69.1Low94 Ų94124 Ų12478%0.77772%0.721SS**PPolyproline II helixtrans-57.7150.917000000111.2
228S73.7Confident69Low117 Ų117121.9 Ų121.982%0.81872%0.723SS**PPolyproline II helixtrans-60.4141.4174.536.90000111.1L230S228-L230 PolarHBondContact O-N 2.86Å
229K73.5Confident68.9Low127 Ų127127.1 Ų127.155%0.55274%0.735SS**PPolyproline II helixtrans-57.3136.1172.7-67.4-171.3174.9-167.50109.5C234K229-C234 PolarHBondContact NZ-O 3.03Å; K229-C234 VanDerWaalsContact NZ-O 3.12Å
230L72.5Confident69.2Low150 Ų150121 Ų12179%0.78572%0.718SS**PPolyproline II helixtrans-57.9142.8174.7-70.5164.3000110.5S228 G232 G233S228-L230 PolarHBondContact O-N 2.86Å; L230-G232 PolarHBondContact O-N 3.06Å; L230-G233 PolarHBondContact O-N 3.19Å
231M68.1Low69.7Low181 Ų181122.7 Ų122.789%0.89273%0.728SS**THydrogen-bonded Turntrans-59.9120.7168.8-78.9-65.9-6700108.6
232G72.2Confident69.6Low84 Ų84123.7 Ų123.787%0.86672%0.722SS**THydrogen-bonded Turntrans98-5.8-174.200000115.7L230L230-G232 PolarHBondContact O-N 3.06Å
233G69.2Low69.6Low34 Ų34119 Ų11935%0.35171%0.711SS.*SBendtrans-78.3154.6174.600000113.7L230 K235L230-G233 PolarHBondContact O-N 3.19Å; G233-K235 PolarHBondContact O-N 3.4Å; G233-K235 VanDerWaalsContact O-N 3.09Å
234C70Confident69.8Low93 Ų93119.2 Ų119.263%0.62872%0.715SS**  trans-55114.1177.7-169.50000111.3K229 D236K229-C234 PolarHBondContact NZ-O 3.03Å; K229-C234 VanDerWaalsContact NZ-O 3.12Å; C234-D236 VanDerWaalsContact C-N 3.33Å
235K67.2Low69.4Low150 Ų150124.4 Ų124.465%0.65272%0.724SS**  trans-88.9-1.4176.7-64.3-153.9-176.7-1760112.9G233 G237G233-K235 PolarHBondContact O-N 3.4Å; G233-K235 VanDerWaalsContact O-N 3.09Å; K235-G237 PolarHBondContact O-N 3.2Å
236D63.3Low69Low144 Ų144121.5 Ų121.577%0.7770%0.704SS**  trans-62.2122.6174.1-66.4-28.1000109.6C234C234-D236 VanDerWaalsContact C-N 3.33Å
237G60.1Low68.6Low55 Ų55123.4 Ų123.457%0.56772%0.717SS**  trans162.8-10.5-171.600000113.6K235K235-G237 PolarHBondContact O-N 3.2Å
238C56.8Low68.2Low111 Ų111125 Ų12575%0.7571%0.712SS**  trans-106.4107.8165.9-67.70000108.3S240C238-S240 PolarHBondContact O-N 3.21Å
239F59.8Low67.5Low215 Ų215128.5 Ų128.594%0.94371%0.713SS**SBendtrans-67.225.7-180-73.5-80.3000114.9
240S66.2Low66.8Low83 Ų83128.2 Ų128.258%0.5872%0.724SS**SBendtrans-159.7132.8173.555.10000108.9C238 F242C238-S240 PolarHBondContact O-N 3.21Å; S240-F242 PolarHBondContact O-N 2.69Å
241P69.9Low66.2Low124 Ų124132.2 Ų132.281%0.80573%0.729SS**PPolyproline II helixtrans-54.8141.1169.922.4-30.4000109.6
242F65.9Low65.5Low146 Ų146135.5 Ų135.564%0.6473%0.731SS**PPolyproline II helixtrans-56.5131.6176.1-172.1-86.7000109.1S240 H244 Y245S240-F242 PolarHBondContact O-N 2.69Å; F242-H244 PolarHBondContact O-N 3.49Å; F242-Y245 HydrophobicContact CD1-CE2 4.29Å; F242-Y245 AromaticContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CE1 4.35Å; F242-Y245 AromaticContact CE1-CE2 3.31Å; F242-Y245 HydrophobicContact CE1-CE2 3.31Å; F242-Y245 AromaticContact CE1-CZ 3.53Å; F242-Y245 AromaticContact CZ-CE2 3.9Å; F242-Y245 HydrophobicContact CZ-CE2 3.9Å; F242-Y245 AromaticContact CZ-CZ 3.68Å; F242-Y245 WeakPolarHBondContact CZ-OH 3.46Å
243P73Confident64.9Low96 Ų96137.3 Ų137.362%0.62373%0.726SS**PPolyproline II helixtrans-60.3135.4-176.822.5-31.5000110.9Y245P243-Y245 PolarHBondContact O-N 3.08Å
244H73.6Confident64.2Low187 Ų187141.7 Ų141.787%0.86675%0.745SS**PPolyproline II helixtrans-60.4126.1177.8-136.573.5000109.6F242 S246F242-H244 PolarHBondContact O-N 3.49Å; H244-S246 PolarHBondContact O-N 3.36Å
245Y68.3Low63.5Low199 Ų199144.4 Ų144.478%0.7875%0.753SS**  trans-67.2104174-74.3-76.6000109.1F242 P243F242-Y245 HydrophobicContact CD1-CE2 4.29Å; F242-Y245 AromaticContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CD2 3.97Å; F242-Y245 HydrophobicContact CE1-CE1 4.35Å; F242-Y245 AromaticContact CE1-CE2 3.31Å; F242-Y245 HydrophobicContact CE1-CE2 3.31Å; F242-Y245 AromaticContact CE1-CZ 3.53Å; F242-Y245 AromaticContact CZ-CE2 3.9Å; F242-Y245 HydrophobicContact CZ-CE2 3.9Å; F242-Y245 AromaticContact CZ-CZ 3.68Å; F242-Y245 WeakPolarHBondContact CZ-OH 3.46Å; P243-Y245 PolarHBondContact O-N 3.08Å
246S71.1Confident62.9Low78 Ų78141.7 Ų141.755%0.54575%0.748SS.*  trans-91.2137161.8170.60000109H244 D248H244-S246 PolarHBondContact O-N 3.36Å; S246-D248 PolarHBondContact O-N 3.32Å; S246-D248 WeakPolarHBondContact OG-CB 3.49Å; S246-D248 VanDerWaalsContact OG-CG 3.26Å; S246-D248 PolarHBondContact OG-N 3.07Å; S246-D248 PolarHBondContact OG-OD2 3.29Å
247S69.8Low62.3Low124 Ų124143 Ų14387%0.86775%0.747SS**  trans-70.71.417453.20000113.8K249S247-K249 PolarHBondContact O-N 3.4Å
248D67.4Low62Low127 Ų127149.9 Ų149.968%0.67976%0.757SS**SBendtrans-68.1129.1-178.8-67.5-36.4000111.3S246S246-D248 PolarHBondContact O-N 3.32Å; S246-D248 WeakPolarHBondContact OG-CB 3.49Å; S246-D248 VanDerWaalsContact OG-CG 3.26Å; S246-D248 PolarHBondContact OG-N 3.07Å; S246-D248 PolarHBondContact OG-OD2 3.29Å
249K60.9Low62Low190 Ų190149.8 Ų149.883%0.82675%0.754SS**PPolyproline II helixtrans-46.2129.8176.1-64.8175.2-176.9172.40108.6S247 R251S247-K249 PolarHBondContact O-N 3.4Å; K249-R251 PolarHBondContact O-N 2.91Å
250P58.3Low61.9Low121 Ų121148.3 Ų148.379%0.78675%0.747SS**PPolyproline II helixtrans-54.5118.2-177.521.2-31.6000108.5R252P250-R252 PolarHBondContact O-N 3.36Å; P250-R252 VanDerWaalsContact O-N 3.08Å
251R58.9Low61.7Low234 Ų234149.6 Ų149.688%0.88375%0.753SS**PPolyproline II helixtrans-51.5123167.3-80.7-176.5173.8-178.4-1.3105.6K249 T253K249-R251 PolarHBondContact O-N 2.91Å; R251-T253 VanDerWaalsContact C-N 3.27Å; R251-T253 PolarHBondContact O-N 2.99Å
252R54.6Low61.2Low250 Ų250148.4 Ų148.494%0.94375%0.745SS**  trans-51.396.4174-84.7177.7147.6127.3-5.1107.8P250 V254P250-R252 PolarHBondContact O-N 3.36Å; P250-R252 VanDerWaalsContact O-N 3.08Å; R252-V254 PolarHBondContact O-N 3.22Å
253T58.2Low60.7Low123 Ų123148.9 Ų148.976%0.75575%0.754SS**  trans-65.6111.4167.249.70000104.6R251 L255R251-T253 VanDerWaalsContact C-N 3.27Å; R251-T253 PolarHBondContact O-N 2.99Å; T253-L255 PolarHBondContact O-N 2.69Å
254V55.4Low59.9Low126 Ų126152.9 Ų152.976%0.76476%0.762SS**  trans-51.3111.21661790000105.2R252 V256R252-V254 PolarHBondContact O-N 3.22Å; V254-V256 PolarHBondContact O-N 3.09Å
255L55.3Low59.2Low150 Ų150150.5 Ų150.579%0.78575%0.754SS**  trans-60.193.5168.5-95.9150.7000105.5T253 K257T253-L255 PolarHBondContact O-N 2.69Å; L255-K257 PolarHBondContact O-N 3.09Å
256V53.7Low58.6Low92 Ų92145.9 Ų145.956%0.55875%0.748SS**  trans-63.191.1159.6179.70000104V254 Y258V254-V256 PolarHBondContact O-N 3.09Å; V256-Y258 HydrophobicContact CB-CE2 4.26Å; V256-Y258 HydrophobicContact CG1-CD2 4.03Å; V256-Y258 HydrophobicContact CG1-CE1 4.29Å; V256-Y258 HydrophobicContact CG1-CE2 3.75Å; V256-Y258 HydrophobicContact CG1-CG 4.43Å; V256-Y258 PolarHBondContact O-N 3.05Å
257K51.8Low57.9Low171 Ų171147.8 Ų147.874%0.74376%0.762SS**  trans-61.791.9165.8-76.9-178.6177.1176.90105.1L255 T259L255-K257 PolarHBondContact O-N 3.09Å; K257-T259 HydrophobicContact CB-CG2 4.21Å; K257-T259 PolarHBondContact O-N 3.03Å
258Y53.9Low56.8Low200 Ų200146 Ų14678%0.78475%0.748SS**  trans-63.782.7151.5-67.4-78.6000105.7V256 K260V256-Y258 HydrophobicContact CB-CE2 4.26Å; V256-Y258 HydrophobicContact CG1-CD2 4.03Å; V256-Y258 HydrophobicContact CG1-CE1 4.29Å; V256-Y258 HydrophobicContact CG1-CE2 3.75Å; V256-Y258 HydrophobicContact CG1-CG 4.43Å; V256-Y258 PolarHBondContact O-N 3.05Å; Y258-K260 PolarHBondContact O-N 2.77Å
259T55.3Low56.2Low110 Ų110143.1 Ų143.168%0.67574%0.736SS**  trans-64.787.8157.155.40000104.6K257 P261K257-T259 HydrophobicContact CB-CG2 4.21Å; K257-T259 PolarHBondContact O-N 3.03Å; T259-P261 WeakPolarHBondContact O-CD 3.49Å
260K59.2Low56.1Low184 Ų184144.1 Ų144.180%0.874%0.741SS**PPolyproline II helixtrans-49.6117.7147.3-71.6-176.4179.7-179.30103.5Y258Y258-K260 PolarHBondContact O-N 2.77Å
261P61.9Low56Low110 Ų110143.5 Ų143.571%0.71474%0.735SS**PPolyproline II helixtrans-50.7126.8174.520.8-30.2000105.2T259 L263T259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-L263 PolarHBondContact O-N 2.77Å; P261-L263 VanDerWaalsContact O-N 3.1Å
262P60.1Low56Low98 Ų98140.3 Ų140.364%0.63672%0.724SS**PPolyproline II helixtrans-50.6131.2175.421.6-31.4000105.5K264P262-K264 PolarHBondContact O-N 3.02Å
263L55Low56.5Low157 Ų157134.1 Ų134.182%0.82272%0.716SS**  trans-61.590.5178.9-159.9140.3000106P261 I265P261-L263 PolarHBondContact O-N 2.77Å; P261-L263 VanDerWaalsContact O-N 3.1Å; L263-I265 HydrophobicContact CD2-CG1 3.72Å; L263-I265 PolarHBondContact O-N 3.24Å
264K55.1Low56.8Low180 Ų180136 Ų13678%0.78372%0.719SS**  trans-73.386.8175.9-74.6-174.8-179.9-178.10103.8P262 P266P262-K264 PolarHBondContact O-N 3.02Å; K264-P266 WeakPolarHBondContact O-CD 3.49Å
265I59.7Low57.7Low137 Ų137132.6 Ų132.670%0.70370%0.699SS**  trans-55.4112.4154.8-53.7175.5000102.6L263 S267L263-I265 HydrophobicContact CD2-CG1 3.72Å; L263-I265 PolarHBondContact O-N 3.24Å; I265-S267 PolarHBondContact O-N 3.1Å
266P55.5Low59Low101 Ų101128.4 Ų128.466%0.65668%0.683SS**  trans-51.6128.8175.322.1-31000105.3K264 C268K264-P266 WeakPolarHBondContact O-CD 3.49Å; P266-C268 PolarHBondContact O-N 3.44Å
267S56.4Low60.4Low119 Ų119130.7 Ų130.783%0.83269%0.69SS**  trans-61.681.1171.4169.80000106I265 P269I265-S267 PolarHBondContact O-N 3.1Å; S267-P269 WeakPolarHBondContact O-CD 3.32Å
268C46.4Very low61.8Low85 Ų85128.3 Ų128.357%0.57469%0.685SS**  trans-67.6124176.9-152.70000103.6P266 K270P266-C268 PolarHBondContact O-N 3.44Å; C268-K270 PolarHBondContact O-N 2.99Å; C268-K270 VanDerWaalsContact O-N 3.08Å
269P54.2Low63.3Low68 Ų68122.3 Ų122.344%0.44266%0.664SS.*  trans-50125.2169.921.4-31.7000106.8S267 T271 Y272S267-P269 WeakPolarHBondContact O-CD 3.32Å; P269-T271 PolarHBondContact O-N 3.07Å; P269-Y272 HydrophobicContact CB-CD2 3.65Å; P269-Y272 HydrophobicContact CB-CE2 4.09Å; P269-Y272 HydrophobicContact CG-CD2 3.16Å; P269-Y272 HydrophobicContact CG-CE2 3.71Å; P269-Y272 HydrophobicContact CG-CG 3.75Å; P269-Y272 PolarHBondContact O-N 3.3Å
270K59.2Low64.7Low210 Ų210120.4 Ų120.491%0.91365%0.649SS**THydrogen-bonded Turntrans-61.59.4-165.3-72.8177.7175.5176.60114.9C268C268-K270 PolarHBondContact O-N 2.99Å; C268-K270 VanDerWaalsContact O-N 3.08Å
271T56.6Low65.9Low108 Ų108114.6 Ų114.666%0.66363%0.627SS**THydrogen-bonded Turntrans-15937.5-173.950.80000112.7P269P269-T271 PolarHBondContact O-N 3.07Å
272Y58.3Low67.1Low168 Ų168114 Ų11466%0.65962%0.617SS**SBendtrans-89.2150.3162.7-99.4-110.8000110.4P269 I274P269-Y272 HydrophobicContact CB-CD2 3.65Å; P269-Y272 HydrophobicContact CB-CE2 4.09Å; P269-Y272 HydrophobicContact CG-CD2 3.16Å; P269-Y272 HydrophobicContact CG-CE2 3.71Å; P269-Y272 HydrophobicContact CG-CG 3.75Å; P269-Y272 PolarHBondContact O-N 3.3Å; Y272-I274 PolarHBondContact O-N 3.04Å
273P66.4Low68.3Low119 Ų119116 Ų11677%0.77362%0.616SS**  trans-55.3114.8174.923.3-32.9000109.2T275P273-T275 PolarHBondContact O-N 3.11Å
274I63.8Low69.8Low162 Ų162117.7 Ų117.783%0.83161%0.611SS**PPolyproline II helixtrans-71.6116.3176.4-61.3169.5000105.9Y272 S276Y272-I274 PolarHBondContact O-N 3.04Å; I274-S276 PolarHBondContact O-N 2.77Å
275T74.3Confident71.2Confident55 Ų55114.5 Ų114.534%0.33759%0.594SS.*PPolyproline II helixtrans-55.4139169.253.80000108.6P273 E279P273-T275 PolarHBondContact O-N 3.11Å; T275-E279 VanDerWaalsContact CB-OE2 3.27Å; T275-E279 WeakPolarHBondContact CB-OE2 3.41Å; T275-E279 WeakPolarHBondContact CG2-OE2 3.16Å
276S82.3Confident72.6Confident63 Ų63110.8 Ų110.844%0.44158%0.575SS.*PPolyproline II helixtrans-54.2150-179.673.20000110.9I274 L278 E279 L280I274-S276 PolarHBondContact O-N 2.77Å; S276-L278 PolarHBondContact O-N 3.02Å; S276-L278 VanDerWaalsContact O-N 3.13Å; S276-E279 WeakPolarHBondContact O-CB 3.38Å; S276-E279 PolarHBondContact O-N 3.01Å; S276-E279 WeakPolarHBondContact OG-CB 3.49Å; S276-E279 PolarHBondContact OG-N 3.04Å; S276-L280 PolarHBondContact O-N 3.04Å
277I82.2Confident74.1Confident140 Ų140109.7 Ų109.772%0.71856%0.564SS**Hα-helixtrans-54.8-33.7175.7-70.2165000110.4L280 N281I277-L280 PolarHBondContact O-N 3.13Å; I277-N281 WeakPolarHBondContact O-CB 3.44Å; I277-N281 PolarHBondContact O-N 2.96Å
278L81.8Confident75.7Confident121 Ų121109.4 Ų109.463%0.63456%0.562SS**Hα-helixtrans-61.1-49.2173.7-61.8175000111.8S276 L280 N281 I282S276-L278 PolarHBondContact O-N 3.02Å; S276-L278 VanDerWaalsContact O-N 3.13Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 2.96Å; L278-N281 PolarHBondContact O-N 3.02Å; L278-I282 VanDerWaalsContact O-CG1 3.31Å; L278-I282 WeakPolarHBondContact O-CG1 3.43Å; L278-I282 PolarHBondContact O-N 2.69Å
279E85.2Confident77.8Confident73 Ų73110.2 Ų110.234%0.34157%0.568SS.*Hα-helixtrans-62.3-39.5178.1-167.8-171.9158.900111.7T275 S276 I282 K283T275-E279 VanDerWaalsContact CB-OE2 3.27Å; T275-E279 WeakPolarHBondContact CB-OE2 3.41Å; T275-E279 WeakPolarHBondContact CG2-OE2 3.16Å; S276-E279 WeakPolarHBondContact O-CB 3.38Å; S276-E279 PolarHBondContact O-N 3.01Å; S276-E279 WeakPolarHBondContact OG-CB 3.49Å; S276-E279 PolarHBondContact OG-N 3.04Å; E279-I282 PolarHBondContact O-N 2.79Å; E279-K283 HydrophobicContact CG-CD 4.46Å; E279-K283 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact OE1-CE 3.23Å; E279-K283 IonicContact OE1-NZ 3.9Å; E279-K283 PolarHBondContact OE1-NZ 3.01Å
280L85.3Confident79.5Confident70 Ų70109.4 Ų109.437%0.36656%0.56SS.*Hα-helixtrans-66.5-37.5176.3-168.8131.9000112S276 I277 L278 R284S276-L280 PolarHBondContact O-N 3.04Å; I277-L280 PolarHBondContact O-N 3.13Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 2.96Å; L280-R284 WeakPolarHBondContact O-CB 3.2Å; L280-R284 WeakPolarHBondContact O-CG 3.47Å; L280-R284 PolarHBondContact O-N 2.72Å; L280-R284 VanDerWaalsContact O-N 3.15Å
281N84.6Confident80.9Confident63 Ų63105.4 Ų105.434%0.33754%0.54SS..Hα-helixtrans-67.3-41.8173.1-100.9-9.9000112I277 L278 R284 R285I277-N281 WeakPolarHBondContact O-CB 3.44Å; I277-N281 PolarHBondContact O-N 2.96Å; L278-N281 PolarHBondContact O-N 3.02Å; N281-R284 PolarHBondContact O-N 2.85Å; N281-R285 WeakPolarHBondContact O-CB 3.43Å; N281-R285 PolarHBondContact O-N 2.84Å
282I86.1Confident82.5Confident98 Ų98109.8 Ų109.850%0.50355%0.545SS..Hα-helixtrans-60-51.8175.8-71.3165.6000110.1L278 E279 R284 R285 I286L278-I282 VanDerWaalsContact O-CG1 3.31Å; L278-I282 WeakPolarHBondContact O-CG1 3.43Å; L278-I282 PolarHBondContact O-N 2.69Å; E279-I282 PolarHBondContact O-N 2.79Å; I282-R284 PolarHBondContact O-N 2.73Å; I282-R285 PolarHBondContact O-N 2.99Å; I282-I286 HydrophobicContact CG2-CD1 4.19Å; I282-I286 WeakPolarHBondContact O-CB 3.46Å; I282-I286 PolarHBondContact O-N 3.2Å
283K86.4Confident84Confident139 Ų139108.4 Ų108.460%0.60455%0.549SS*.Hα-helixtrans-62.4-26.7179.4-77.5175171.2163.10113.7E279E279-K283 HydrophobicContact CG-CD 4.46Å; E279-K283 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact OE1-CE 3.23Å; E279-K283 IonicContact OE1-NZ 3.9Å; E279-K283 PolarHBondContact OE1-NZ 3.01Å
284R85.7Confident84.8Confident192 Ų192106.4 Ų106.473%0.72553%0.528SS*.Hα-helixtrans-82.1-40.5175.9-80.5-179.9173.6174.4-0.2113.1L280 N281 I282L280-R284 WeakPolarHBondContact O-CB 3.2Å; L280-R284 WeakPolarHBondContact O-CG 3.47Å; L280-R284 PolarHBondContact O-N 2.72Å; L280-R284 VanDerWaalsContact O-N 3.15Å; N281-R284 PolarHBondContact O-N 2.85Å; I282-R284 PolarHBondContact O-N 2.73Å
285R85.3Confident85.8Confident114 Ų114107.4 Ų107.443%0.4353%0.526SS..Hα-helixtrans-85.1-31.5-175.9-80.5-176.2164.2170.3-1.1112.9N281 I282 N290 F294 D300N281-R285 WeakPolarHBondContact O-CB 3.43Å; N281-R285 PolarHBondContact O-N 2.84Å; I282-R285 PolarHBondContact O-N 2.99Å; R285-N290 PolarHBondContact O-ND2 3.45Å; R285-F294 HydrophobicContact CB-CE2 3.87Å; R285-F294 HydrophobicContact CB-CZ 4.38Å; R285-F294 HydrophobicContact CG-CE2 4.43Å; R285-D300 IonicContact NH1-OD2 2.69Å; R285-D300 PolarHBondContact NH1-OD2 2.72Å
286I88Confident85.8Confident58 Ų58109.9 Ų109.930%0.29754%0.543SS..  trans-111.7123.9-175.2-62.3165.4000109.5I282 N290 F294I282-I286 HydrophobicContact CG2-CD1 4.19Å; I282-I286 WeakPolarHBondContact O-CB 3.46Å; I282-I286 PolarHBondContact O-N 3.2Å; I286-N290 WeakPolarHBondContact CA-OD1 2.99Å; I286-F294 HydrophobicContact CD1-CD1 3.79Å; I286-F294 HydrophobicContact CD1-CE1 3.98Å; I286-F294 HydrophobicContact CD1-CG 4.17Å; I286-F294 HydrophobicContact CG1-CB 4.31Å; I286-F294 HydrophobicContact CG1-CD1 3.98Å; I286-F294 HydrophobicContact CG1-CD2 4.06Å; I286-F294 HydrophobicContact CG1-CE1 4.33Å; I286-F294 HydrophobicContact CG1-CE2 4.42Å; I286-F294 HydrophobicContact CG1-CG 3.84Å
287N87.5Confident85.3Confident79 Ų79109.7 Ų109.742%0.42254%0.542SS..  trans-131.4173.317466.722.7000110.2S289 N290 Y291N287-S289 PolarHBondContact O-N 3.33Å; N287-S289 VanDerWaalsContact O-N 3.12Å; N287-S289 PolarHBondContact OD1-N 3.08Å; N287-S289 VanDerWaalsContact OD1-N 3.11Å; N287-S289 PolarHBondContact OD1-OG 3.2Å; N287-N290 PolarHBondContact N-OD1 3.41Å; N287-N290 PolarHBondContact O-N 3.37Å; N287-N290 PolarHBondContact O-OD1 3.06Å; N287-N290 WeakPolarHBondContact OD1-CB 3.44Å; N287-N290 PolarHBondContact OD1-N 3.17Å; N287-N290 PolarHBondContact OD1-OD1 2.8Å; N287-N290 VanDerWaalsContact OD1-OD1 3.11Å; N287-Y291 PolarHBondContact O-N 3.13Å; N287-Y291 VanDerWaalsContact O-N 3.12Å
288S90.9Very high84.6Confident113 Ų113109.5 Ų109.579%0.7955%0.547SS*.THydrogen-bonded Turntrans-61.7-20.2-177.453.50000114.3Y291S288-Y291 VanDerWaalsContact O-CD1 3.31Å; S288-Y291 WeakPolarHBondContact O-CD1 3.19Å; S288-Y291 WeakPolarHBondContact O-CE1 3.3Å
289S89.2Confident83.6Confident102 Ų102110.8 Ų110.871%0.71355%0.553SS**THydrogen-bonded Turntrans-92.9-22.2179.5550000114N287N287-S289 PolarHBondContact O-N 3.33Å; N287-S289 VanDerWaalsContact O-N 3.12Å; N287-S289 PolarHBondContact OD1-N 3.08Å; N287-S289 VanDerWaalsContact OD1-N 3.11Å; N287-S289 PolarHBondContact OD1-OG 3.2Å
290N91.1Very high82Confident50 Ų50112.2 Ų112.227%0.26756%0.563SS.*THydrogen-bonded Turntrans-114.2-8.6-174.377.74.5000115R285 I286 N287 R292 N293 F294R285-N290 PolarHBondContact O-ND2 3.45Å; I286-N290 WeakPolarHBondContact CA-OD1 2.99Å; N287-N290 PolarHBondContact N-OD1 3.41Å; N287-N290 PolarHBondContact O-N 3.37Å; N287-N290 PolarHBondContact O-OD1 3.06Å; N287-N290 WeakPolarHBondContact OD1-CB 3.44Å; N287-N290 PolarHBondContact OD1-N 3.17Å; N287-N290 PolarHBondContact OD1-OD1 2.8Å; N287-N290 VanDerWaalsContact OD1-OD1 3.11Å; N290-R292 PolarHBondContact O-N 3.37Å; N290-N293 PolarHBondContact O-N 3.45Å; N290-F294 PolarHBondContact O-N 3.18Å
291Y88.9Confident80.2Confident126 Ų126117.3 Ų117.349%0.49460%0.604SS.*THydrogen-bonded Turntrans-56.4-31.2-171.578.9-80.6000114.2N287 S288N287-Y291 PolarHBondContact O-N 3.13Å; N287-Y291 VanDerWaalsContact O-N 3.12Å; S288-Y291 VanDerWaalsContact O-CD1 3.31Å; S288-Y291 WeakPolarHBondContact O-CD1 3.19Å; S288-Y291 WeakPolarHBondContact O-CE1 3.3Å
292R89Confident80Confident200 Ų200120 Ų12076%0.75562%0.618SS**THydrogen-bonded Turntrans-72.9-26.3177.8-66.2-170.4179.3-139.91.1113.9N290N290-R292 PolarHBondContact O-N 3.37Å
293N89.6Confident79.7Confident139 Ų139121.2 Ų121.274%0.74362%0.624SS**THydrogen-bonded Turntrans-103.4-2-173.3-64.2-18.4000112.8N290 K295N290-N293 PolarHBondContact O-N 3.45Å; N293-K295 PolarHBondContact O-N 3.41Å
294F84.7Confident79.3Confident77 Ų77120.2 Ų120.234%0.33863%0.625SS.*  trans-72.8123.9-177.2-176.4-98000111.4R285 I286 N290R285-F294 HydrophobicContact CB-CE2 3.87Å; R285-F294 HydrophobicContact CB-CZ 4.38Å; R285-F294 HydrophobicContact CG-CE2 4.43Å; I286-F294 HydrophobicContact CD1-CD1 3.79Å; I286-F294 HydrophobicContact CD1-CE1 3.98Å; I286-F294 HydrophobicContact CD1-CG 4.17Å; I286-F294 HydrophobicContact CG1-CB 4.31Å; I286-F294 HydrophobicContact CG1-CD1 3.98Å; I286-F294 HydrophobicContact CG1-CD2 4.06Å; I286-F294 HydrophobicContact CG1-CE1 4.33Å; I286-F294 HydrophobicContact CG1-CE2 4.42Å; I286-F294 HydrophobicContact CG1-CG 3.84Å; N290-F294 PolarHBondContact O-N 3.18Å
295K83Confident78.9Confident183 Ų183115.9 Ų115.980%0.79662%0.619SS**  trans-111.2125.4171.5-67.8-176179.4-179.50109.3N293 S297N293-K295 PolarHBondContact O-N 3.41Å; K295-S297 PolarHBondContact O-N 3.07Å
296P75.7Confident78.5Confident107 Ų107116.1 Ų116.170%0.69563%0.631SS**  trans-64.9127.2176.926.1-32.1000110.1
297S71.4Confident77.9Confident60 Ų60119.9 Ų119.942%0.4265%0.653SS.*  trans-74.1129.9168.351.90000109.2K295 I299K295-S297 PolarHBondContact O-N 3.07Å; S297-I299 PolarHBondContact O-N 3.21Å
298V68.1Low77.2Confident136 Ų136122.9 Ų122.982%0.82467%0.67SS**THydrogen-bonded Turntrans-62.92.3-176.3178.90000114.1
299I60.4Low76.2Confident148 Ų148123.6 Ų123.676%0.75966%0.66SS**THydrogen-bonded Turntrans-97.9-2.8-163.2-62.3168.7000114S297S297-I299 PolarHBondContact O-N 3.21Å
300D51.7Low75.1Confident103 Ų103125.4 Ų125.455%0.55166%0.656SS**  trans-108.925.8-173.8-66.3-30.3000114.6R285R285-D300 IonicContact NH1-OD2 2.69Å; R285-D300 PolarHBondContact NH1-OD2 2.72Å
301S47.5Very low73.6Confident176 Ų176132.3 Ų132.3100%1.23169%0.691SS**  trans-980171.460.20000112.9

Retrieved 301 of 301 residues in 89.7 ms (Link to these results)