A0A2K5Z5A7_MANLE Loading...

Secretoglobin family 1C member 1

AlphaFold DB , UniProt , Accession A0A2K5Z5A7, Species MANLE (Mandrillus leucophaeus, Drill), Gene n/a, Length 95 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
1M42.5Very low58.1Low218 Ų218113.5 Ų113.5100%1.07462%0.615SS**  063.40-62.6165.970.100111.5
2K49.2Very low58.3Low197 Ų197112.8 Ų112.886%0.85761%0.609SS**  trans-101.6-23.3-178.6-113.3169.3175.5177.90113.7
3G53.1Low58.8Low47 Ų47109.8 Ų109.849%0.48560%0.598SS.*Hα-helixtrans-74.7-29.417900000115.2R5 A6 L7G3-R5 VanDerWaalsContact C-N 3.31Å; G3-R5 PolarHBondContact O-N 3.04Å; G3-A6 PolarHBondContact O-N 2.71Å; G3-L7 PolarHBondContact O-N 2.85Å; G3-L7 VanDerWaalsContact O-N 3.17Å
4S56.1Low59Low70 Ų70106.4 Ų106.449%0.4958%0.578SS.*Hα-helixtrans-67.6-28.7-177.8-580000113.7L8S4-L8 VanDerWaalsContact O-CB 3.26Å; S4-L8 WeakPolarHBondContact O-CB 3.48Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 WeakPolarHBondContact O-CG 3.5Å; S4-L8 PolarHBondContact O-N 2.97Å
5R55.7Low59.2Low194 Ų194107.3 Ų107.373%0.73258%0.575SS**Hα-helixtrans-77.6-37.2-178.4-62.517985173.94.6111.8G3 L9G3-R5 VanDerWaalsContact C-N 3.31Å; G3-R5 PolarHBondContact O-N 3.04Å; R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CD1 3.37Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.38Å; R5-L9 PolarHBondContact O-N 3.26Å
6A61.2Low59.1Low58 Ų58104.7 Ų104.748%0.47957%0.567SS.*Hα-helixtrans-67.1-45.3173.900000111.2G3 L8 L9 V10G3-A6 PolarHBondContact O-N 2.71Å; A6-L8 PolarHBondContact O-N 3.3Å; A6-L9 PolarHBondContact O-N 3.11Å; A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.69Å
7L60.8Low58.9Low125 Ų125103.2 Ų103.265%0.65456%0.557SS**Hα-helixtrans-61.6-42.1175.2-79.7162000112.5G3 V10 A11G3-L7 PolarHBondContact O-N 2.85Å; G3-L7 VanDerWaalsContact O-N 3.17Å; L7-V10 PolarHBondContact O-N 3.12Å; L7-A11 VanDerWaalsContact O-CB 3.28Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.11Å
8L65.5Low58.6Low117 Ų117101 Ų10161%0.61355%0.55SS**Hα-helixtrans-62.9-41.4174.2-88.8161.7000111.8S4 A6 A11 L12S4-L8 VanDerWaalsContact O-CB 3.26Å; S4-L8 WeakPolarHBondContact O-CB 3.48Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 WeakPolarHBondContact O-CG 3.5Å; S4-L8 PolarHBondContact O-N 2.97Å; A6-L8 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 3.47Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.23Å
9L67.1Low58.2Low110 Ų110104.9 Ų104.958%0.57656%0.556SS**Hα-helixtrans-68.1-39.4177.9-76.4166.5000112.1R5 A6 L12 T13R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CD1 3.37Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.38Å; R5-L9 PolarHBondContact O-N 3.26Å; A6-L9 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-T13 VanDerWaalsContact O-CB 3.26Å; L9-T13 WeakPolarHBondContact O-CB 3.45Å; L9-T13 PolarHBondContact O-N 3.39Å; L9-T13 PolarHBondContact O-OG1 3.32Å
10V65.3Low57.8Low56 Ų56107.2 Ų107.234%0.33957%0.568SS.*Hα-helixtrans-64.7-46.2174.7170.60000110.4A6 L7 L12 T13 L14 L66A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.69Å; L7-V10 PolarHBondContact O-N 3.12Å; V10-L12 PolarHBondContact O-N 2.92Å; V10-T13 PolarHBondContact O-N 3.49Å; V10-L14 HydrophobicContact CG1-CD1 3.94Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.39Å; V10-L14 PolarHBondContact O-N 2.99Å; V10-L66 HydrophobicContact CG2-CD1 3.9Å
11A62.5Low57.3Low57 Ų57103.6 Ų103.647%0.47155%0.553SS.*Hα-helixtrans-63.6-41.2176.200000112.1L7 L8 L14 F15L7-A11 VanDerWaalsContact O-CB 3.28Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 3.47Å; A11-L14 PolarHBondContact O-N 3Å; A11-F15 WeakPolarHBondContact O-CB 3.21Å; A11-F15 PolarHBondContact O-N 3.49Å
12L60.8Low57.6Low104 Ų104100.1 Ų100.155%0.54554%0.544SS..Hα-helixtrans-66.9-38.4177.1-152.288.9000111.1L8 L9 V10 F15 C16L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 3.21Å; V10-L12 PolarHBondContact O-N 2.92Å; L12-F15 PolarHBondContact O-N 3.17Å; L12-C16 VanDerWaalsContact O-CB 3.27Å; L12-C16 WeakPolarHBondContact O-CB 3.3Å; L12-C16 PolarHBondContact O-N 3.42Å; L12-C16 PolarHBondContact O-SG 2.95Å
13T64.9Low57.8Low75 Ų7592.3 Ų92.346%0.4652%0.52SS..Hα-helixtrans-66.1-48.1175.6-55.10000110.6L9 V10 F15 C16 I17L9-T13 VanDerWaalsContact O-CB 3.26Å; L9-T13 WeakPolarHBondContact O-CB 3.45Å; L9-T13 PolarHBondContact O-N 3.39Å; L9-T13 PolarHBondContact O-OG1 3.32Å; V10-T13 PolarHBondContact O-N 3.49Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 3.02Å; T13-C16 PolarHBondContact O-N 3.39Å; T13-I17 HydrophobicContact CG2-CD1 3.66Å; T13-I17 HydrophobicContact CG2-CG1 4.45Å; T13-I17 WeakPolarHBondContact O-CB 2.73Å; T13-I17 WeakPolarHBondContact O-CD1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.45Å; T13-I17 PolarHBondContact O-N 3.33Å
14L61.7Low57.8Low61 Ų6198.8 Ų98.832%0.31954%0.538SS..Hα-helixtrans-54.3-47.2172.5-104.983.6000111.3V10 A11 I17 C18 F30 L34V10-L14 HydrophobicContact CG1-CD1 3.94Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.39Å; V10-L14 PolarHBondContact O-N 2.99Å; A11-L14 PolarHBondContact O-N 3Å; L14-I17 PolarHBondContact O-N 3.02Å; L14-C18 WeakPolarHBondContact O-CB 3.23Å; L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 3.29Å; L14-F30 HydrophobicContact CB-CZ 4.39Å; L14-F30 HydrophobicContact CD2-CZ 3.89Å; L14-F30 HydrophobicContact CG-CE2 4.07Å; L14-F30 HydrophobicContact CG-CZ 3.71Å; L14-L34 HydrophobicContact CD1-CD2 4.33Å; L14-L34 HydrophobicContact CD2-CD1 4.35Å; L14-L34 HydrophobicContact CD2-CD2 4.2Å; L14-L34 HydrophobicContact CG-CD2 4.42Å
15F61Low57.9Low120 Ų120101.7 Ų101.753%0.52655%0.548SS..Hα-helixtrans-70.6-35.4-176-164.6-116.1000113.1A11 L12 T13 R19A11-F15 WeakPolarHBondContact O-CB 3.21Å; A11-F15 PolarHBondContact O-N 3.49Å; L12-F15 PolarHBondContact O-N 3.17Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 3.02Å; F15-R19 WeakPolarHBondContact O-CB 3.49Å; F15-R19 PolarHBondContact O-N 3.16Å
16C58.1Low58.2Low66 Ų6695 Ų9545%0.44653%0.529SS..Hα-helixtrans-71-36.9174.6-73.90000112.1L12 T13 L20L12-C16 VanDerWaalsContact O-CB 3.27Å; L12-C16 WeakPolarHBondContact O-CB 3.3Å; L12-C16 PolarHBondContact O-N 3.42Å; L12-C16 PolarHBondContact O-SG 2.95Å; T13-C16 PolarHBondContact O-N 3.39Å; C16-L20 PolarHBondContact O-N 3.02Å
17I56.4Low58.6Low79 Ų7995 Ų9541%0.40552%0.522SS..Hα-helixtrans-70.1-44.5176.6-63.2164000110.4T13 L14 R19 L20 A21 F30T13-I17 HydrophobicContact CG2-CD1 3.66Å; T13-I17 HydrophobicContact CG2-CG1 4.45Å; T13-I17 WeakPolarHBondContact O-CB 2.73Å; T13-I17 WeakPolarHBondContact O-CD1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.45Å; T13-I17 PolarHBondContact O-N 3.33Å; L14-I17 PolarHBondContact O-N 3.02Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 3.36Å; I17-L20 PolarHBondContact O-N 3.29Å; I17-A21 WeakPolarHBondContact O-CB 3.28Å; I17-F30 HydrophobicContact CG2-CD2 4.11Å; I17-F30 HydrophobicContact CG2-CE2 4.42Å
18C53.3Low59.3Low64 Ų6496.3 Ų96.343%0.43252%0.524SS..Hα-helixtrans-61.8-33.7177.1-67.90000113.1L14 F30L14-C18 WeakPolarHBondContact O-CB 3.23Å; L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 3.29Å; C18-F30 WeakPolarHBondContact SG-CE1 3.22Å; C18-F30 WeakPolarHBondContact SG-CZ 3.16Å
19R51.2Low60.1Low175 Ų17593 Ų9366%0.6651%0.505SS*.Hα-helixtrans-86-22.2-175.6-151.5-163.7-73.3-152.9-6.8113.9F15 I17 A21F15-R19 WeakPolarHBondContact O-CB 3.49Å; F15-R19 PolarHBondContact O-N 3.16Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 3.36Å; R19-A21 VanDerWaalsContact C-N 3.31Å
20L48.9Very low60.7Low151 Ų15188.9 Ų88.979%0.79148%0.483SS*.Hα-helixtrans-79.5-18.5174-108.3100.1000112.9C16 I17 T22C16-L20 PolarHBondContact O-N 3.02Å; I17-L20 PolarHBondContact O-N 3.29Å; L20-T22 PolarHBondContact O-N 3.48Å
21A47.3Very low61.5Low32 Ų3286.7 Ų86.726%0.26447%0.469SS..  trans-90.669.6-172.900000112I17 R19 G23 C26I17-A21 WeakPolarHBondContact O-CB 3.28Å; R19-A21 VanDerWaalsContact C-N 3.31Å; A21-G23 PolarHBondContact O-N 2.96Å; A21-G23 VanDerWaalsContact O-N 3.11Å; A21-C26 HydrophobicContact CB-CB 3.19Å
22T50.1Low62.6Low145 Ų14587.5 Ų87.589%0.8947%0.465SS*.  trans-79.728.2174.152.80000113.4L20L20-T22 PolarHBondContact O-N 3.48Å
23G52.1Low64Low33 Ų3384.1 Ų84.134%0.3445%0.446SS..SBendtrans-132.4137.2-178.900000111.3A21 D25 C26A21-G23 PolarHBondContact O-N 2.96Å; A21-G23 VanDerWaalsContact O-N 3.11Å; G23-D25 PolarHBondContact O-N 3.06Å; G23-C26 VanDerWaalsContact O-CB 3.29Å; G23-C26 WeakPolarHBondContact O-CB 3.46Å; G23-C26 PolarHBondContact O-N 2.92Å
24E53.6Low65.1Low183 Ų18381.6 Ų81.686%0.85543%0.43SS*.Hα-helixtrans-49.6-40.5-177.5-158.9163.7160.100112.6C26 N27E24-C26 PolarHBondContact O-N 3.39Å; E24-N27 PolarHBondContact O-N 3.11Å; E24-N27 VanDerWaalsContact O-N 3.13Å
25D58.3Low66.4Low131 Ų13183.5 Ų83.570%0.70144%0.437SS*.Hα-helixtrans-60.5-25.9176.6-61.2-30.4000114.6G23 N27 F29G23-D25 PolarHBondContact O-N 3.06Å; D25-N27 VanDerWaalsContact C-N 3.34Å; D25-F29 WeakPolarHBondContact O-CB 3.35Å; D25-F29 PolarHBondContact O-N 3.04Å
26C62.9Low67.8Low52 Ų5278.8 Ų78.835%0.35142%0.418SS..Hα-helixtrans-78.1-24.8-178.8-65.40000112.1A21 G23 E24 F30A21-C26 HydrophobicContact CB-CB 3.19Å; G23-C26 VanDerWaalsContact O-CB 3.29Å; G23-C26 WeakPolarHBondContact O-CB 3.46Å; G23-C26 PolarHBondContact O-N 2.92Å; E24-C26 PolarHBondContact O-N 3.39Å; C26-F30 WeakPolarHBondContact O-CB 3.19Å; C26-F30 PolarHBondContact O-N 3.09Å
27N68.2Low69.4Low60 Ų6076.1 Ų76.132%0.32140%0.4SS..Hα-helixtrans-72.4-49.7176.9-150.4-29.7000109.3E24 D25 F29 F30 M31 Q92E24-N27 PolarHBondContact O-N 3.11Å; E24-N27 VanDerWaalsContact O-N 3.13Å; D25-N27 VanDerWaalsContact C-N 3.34Å; N27-F29 PolarHBondContact O-N 2.79Å; N27-F30 PolarHBondContact O-N 3.37Å; N27-M31 WeakPolarHBondContact O-CB 2.84Å; N27-M31 WeakPolarHBondContact O-CG 3.4Å; N27-M31 PolarHBondContact O-N 3.2Å; N27-Q92 VanDerWaalsContact ND2-CD 3.27Å; N27-Q92 PolarHBondContact ND2-NE2 3.36Å; N27-Q92 VanDerWaalsContact ND2-NE2 3.19Å; N27-Q92 PolarHBondContact ND2-OE1 3.48Å; N27-Q92 PolarHBondContact OD1-NE2 2.89Å
28E77.3Confident71Confident151 Ų15173.3 Ų73.371%0.70639%0.385SS*.Hα-helixtrans-57.2-49.3176.5-171.7179.3-174.200112.2F30 M31 D32E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.19Å; E28-M31 PolarHBondContact O-N 3.43Å; E28-D32 WeakPolarHBondContact O-CB 3.36Å; E28-D32 PolarHBondContact O-N 3.17Å
29F82.4Confident72.8Confident49 Ų4974.4 Ų74.422%0.21539%0.39CS..Hα-helixtrans-56.4-47.3175.4162.2-99.9000112.4D25 N27 M31 D32 F33 P49 L50 Y53D25-F29 WeakPolarHBondContact O-CB 3.35Å; D25-F29 PolarHBondContact O-N 3.04Å; N27-F29 PolarHBondContact O-N 2.79Å; F29-M31 VanDerWaalsContact C-N 3.3Å; F29-M31 PolarHBondContact O-N 3.11Å; F29-D32 PolarHBondContact O-N 2.92Å; F29-F33 VanDerWaalsContact O-CB 3.31Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 2.88Å; F29-P49 HydrophobicContact CD2-CB 4.32Å; F29-P49 HydrophobicContact CE2-CB 4.07Å; F29-P49 VanDerWaalsContact CE2-O 3.28Å; F29-P49 WeakPolarHBondContact CE2-O 3.11Å; F29-L50 HydrophobicContact CZ-CD2 4.3Å; F29-Y53 AromaticContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CZ-CE2 4.02Å
30F78.9Confident74.7Confident23 Ų2366.6 Ų66.610%0.10136%0.363CS..Hα-helixtrans-66.4-37-176.4177.2-105.8000111.5L14 I17 C18 C26 N27 E28 F33 L34L14-F30 HydrophobicContact CB-CZ 4.39Å; L14-F30 HydrophobicContact CD2-CZ 3.89Å; L14-F30 HydrophobicContact CG-CE2 4.07Å; L14-F30 HydrophobicContact CG-CZ 3.71Å; I17-F30 HydrophobicContact CG2-CD2 4.11Å; I17-F30 HydrophobicContact CG2-CE2 4.42Å; C18-F30 WeakPolarHBondContact SG-CE1 3.22Å; C18-F30 WeakPolarHBondContact SG-CZ 3.16Å; C26-F30 WeakPolarHBondContact O-CB 3.19Å; C26-F30 PolarHBondContact O-N 3.09Å; N27-F30 PolarHBondContact O-N 3.37Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.19Å; F30-F33 PolarHBondContact O-N 3.45Å; F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.4Å; F30-L34 HydrophobicContact CE1-CD1 3.28Å; F30-L34 HydrophobicContact CE1-CG 4.04Å; F30-L34 HydrophobicContact CE2-CD1 4.22Å; F30-L34 HydrophobicContact CE2-CD2 4.4Å; F30-L34 HydrophobicContact CE2-CG 4.18Å; F30-L34 HydrophobicContact CZ-CD1 3.47Å; F30-L34 VanDerWaalsContact CZ-CD1 3.47Å; F30-L34 HydrophobicContact CZ-CD2 4.27Å; F30-L34 HydrophobicContact CZ-CG 3.93Å; F30-L34 WeakPolarHBondContact O-CB 3.21Å; F30-L34 WeakPolarHBondContact O-CG 3.34Å; F30-L34 PolarHBondContact O-N 3.09Å
31M81.9Confident76.7Confident9 Ų961.9 Ų61.94%0.04434%0.341CS..Hα-helixtrans-72.5-40.1179-61.4-55.4-90.500111.6N27 E28 F29 F33 L34 Q35 L85 V88 L89N27-M31 WeakPolarHBondContact O-CB 2.84Å; N27-M31 WeakPolarHBondContact O-CG 3.4Å; N27-M31 PolarHBondContact O-N 3.2Å; E28-M31 PolarHBondContact O-N 3.43Å; F29-M31 VanDerWaalsContact C-N 3.3Å; F29-M31 PolarHBondContact O-N 3.11Å; M31-F33 VanDerWaalsContact C-N 3.35Å; M31-L34 PolarHBondContact O-N 3.4Å; M31-L34 HydrophobicContact SD-CD1 4.41Å; M31-Q35 VanDerWaalsContact O-CB 3.28Å; M31-Q35 WeakPolarHBondContact O-CB 3.35Å; M31-Q35 PolarHBondContact O-N 3.41Å; M31-L85 HydrophobicContact CE-CD1 3.4Å; M31-L85 HydrophobicContact CE-CG 3.97Å; M31-L85 HydrophobicContact SD-CD1 3.73Å; M31-V88 HydrophobicContact CE-CB 4.08Å; M31-V88 HydrophobicContact CE-CG1 3.81Å; M31-L89 HydrophobicContact CB-CD2 3.87Å; M31-L89 HydrophobicContact CE-CB 4.4Å; M31-L89 HydrophobicContact CE-CD1 4.12Å; M31-L89 HydrophobicContact CE-CD2 3.3Å; M31-L89 HydrophobicContact CE-CG 3.29Å; M31-L89 HydrophobicContact CG-CD2 3.58Å; M31-L89 HydrophobicContact SD-CD2 4.31Å
32D85.9Confident78.7Confident75 Ų7561.3 Ų61.340%0.40133%0.334SS..Hα-helixtrans-63.8-40.4173-170.843.5000111.8E28 F29 Q35 T36E28-D32 WeakPolarHBondContact O-CB 3.36Å; E28-D32 PolarHBondContact O-N 3.17Å; F29-D32 PolarHBondContact O-N 2.92Å; D32-Q35 PolarHBondContact O-N 2.85Å; D32-T36 WeakPolarHBondContact O-CB 3.39Å; D32-T36 PolarHBondContact O-N 3.38Å; D32-T36 PolarHBondContact O-OG1 2.95Å
33F89.3Confident80.7Confident32 Ų3259.7 Ų59.714%0.1432%0.317CS..Hα-helixtrans-59.3-50.6171.4173.7-95.5000112.2F29 F30 M31 Q35 T36 L37 L45 P49 L50 M63F29-F33 VanDerWaalsContact O-CB 3.31Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 2.88Å; F30-F33 PolarHBondContact O-N 3.45Å; M31-F33 VanDerWaalsContact C-N 3.35Å; F33-Q35 PolarHBondContact O-N 3.29Å; F33-T36 PolarHBondContact O-N 2.93Å; F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.32Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 3.47Å; F33-L45 HydrophobicContact CD2-CD2 3.69Å; F33-L45 HydrophobicContact CE2-CD2 3.82Å; F33-L45 HydrophobicContact CG-CD2 4.49Å; F33-P49 HydrophobicContact CB-CB 4.15Å; F33-P49 HydrophobicContact CB-CG 4.4Å; F33-L50 HydrophobicContact CD2-CD2 3.94Å; F33-L50 HydrophobicContact CD2-CG 4.2Å; F33-L50 HydrophobicContact CE2-CD1 4.12Å; F33-L50 HydrophobicContact CE2-CD2 4.03Å; F33-L50 HydrophobicContact CE2-CG 4.23Å; F33-M63 HydrophobicContact CE2-SD 4.4Å; F33-M63 HydrophobicContact CZ-SD 4.24Å
34L88.5Confident82.7Confident22 Ų2262.8 Ų62.812%0.11532%0.323CS..Hα-helixtrans-64.9-39.7180-75.9-175.6000112.2L14 F30 M31 L37 L38 L85L14-L34 HydrophobicContact CD1-CD2 4.33Å; L14-L34 HydrophobicContact CD2-CD1 4.35Å; L14-L34 HydrophobicContact CD2-CD2 4.2Å; L14-L34 HydrophobicContact CG-CD2 4.42Å; F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.4Å; F30-L34 HydrophobicContact CE1-CD1 3.28Å; F30-L34 HydrophobicContact CE1-CG 4.04Å; F30-L34 HydrophobicContact CE2-CD1 4.22Å; F30-L34 HydrophobicContact CE2-CD2 4.4Å; F30-L34 HydrophobicContact CE2-CG 4.18Å; F30-L34 HydrophobicContact CZ-CD1 3.47Å; F30-L34 VanDerWaalsContact CZ-CD1 3.47Å; F30-L34 HydrophobicContact CZ-CD2 4.27Å; F30-L34 HydrophobicContact CZ-CG 3.93Å; F30-L34 WeakPolarHBondContact O-CB 3.21Å; F30-L34 WeakPolarHBondContact O-CG 3.34Å; F30-L34 PolarHBondContact O-N 3.09Å; M31-L34 PolarHBondContact O-N 3.4Å; M31-L34 HydrophobicContact SD-CD1 4.41Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-L38 WeakPolarHBondContact O-CB 3.36Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.28Å; L34-L38 PolarHBondContact O-N 3.32Å; L34-L85 HydrophobicContact CB-CD1 3.83Å; L34-L85 HydrophobicContact CB-CD2 4.42Å; L34-L85 HydrophobicContact CD1-CD1 3.68Å; L34-L85 HydrophobicContact CG-CD1 4.45Å
35Q88.6Confident84.5Confident102 Ų10254.1 Ų54.148%0.47728%0.282SS..Hα-helixtrans-62.8-51.8177.2-177.7170-2800110.3M31 D32 F33 L37 L38 V39 L85M31-Q35 VanDerWaalsContact O-CB 3.28Å; M31-Q35 WeakPolarHBondContact O-CB 3.35Å; M31-Q35 PolarHBondContact O-N 3.41Å; D32-Q35 PolarHBondContact O-N 2.85Å; F33-Q35 PolarHBondContact O-N 3.29Å; Q35-L37 VanDerWaalsContact C-N 3.28Å; Q35-L37 PolarHBondContact O-N 2.83Å; Q35-L38 PolarHBondContact O-N 3.45Å; Q35-L38 VanDerWaalsContact O-N 3.12Å; Q35-V39 HydrophobicContact CG-CG2 4.19Å; Q35-V39 WeakPolarHBondContact O-CG2 3.37Å; Q35-V39 PolarHBondContact O-N 2.94Å; Q35-L85 HydrophobicContact CB-CD2 4.04Å
36T91.5Very high86.1Confident21 Ų2150.1 Ų50.113%0.12926%0.258CS..Hα-helixtrans-61.7-37.2178.2-520000111.4D32 F33 L38 G40 E44 L45D32-T36 WeakPolarHBondContact O-CB 3.39Å; D32-T36 PolarHBondContact O-N 3.38Å; D32-T36 PolarHBondContact O-OG1 2.95Å; F33-T36 PolarHBondContact O-N 2.93Å; T36-L38 PolarHBondContact O-N 3.47Å; T36-G40 CarbonylContact O-C 3.58Å; T36-G40 WeakPolarHBondContact O-CA 3.19Å; T36-G40 PolarHBondContact O-N 3.34Å; T36-E44 HydrophobicContact CG2-CB 3.84Å; T36-L45 HydrophobicContact CG2-CB 4.45Å; T36-L45 HydrophobicContact CG2-CD2 3.9Å; T36-L45 HydrophobicContact CG2-CG 3.83Å
37L91.2Very high87.4Confident10 Ų1055.7 Ų55.75%0.05228%0.278CS..Hα-helixtrans-64.5-38.2175.3-179.165000112.8F33 L34 Q35 L45 M63 L66 K67 I70F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.32Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 3.47Å; L34-L37 PolarHBondContact O-N 3.49Å; Q35-L37 VanDerWaalsContact C-N 3.28Å; Q35-L37 PolarHBondContact O-N 2.83Å; L37-L45 HydrophobicContact CB-CD1 4.31Å; L37-L45 HydrophobicContact CB-CD2 4.26Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; L37-M63 HydrophobicContact CD1-CE 3.84Å; L37-L66 HydrophobicContact CD1-CD2 4.4Å; L37-L66 HydrophobicContact CD2-CD2 4.14Å; L37-K67 HydrophobicContact CD1-CD 4.36Å; L37-K67 WeakPolarHBondContact O-CD 3.36Å; L37-K67 WeakPolarHBondContact O-CE 3.46Å; L37-I70 HydrophobicContact CD1-CD1 3.8Å; L37-I70 HydrophobicContact CD2-CD1 3.8Å; L37-I70 HydrophobicContact CG-CD1 3.52Å
38L90.1Very high88.5Confident19 Ų1954.8 Ų54.810%0.09928%0.283CS..Hα-helixtrans-75.8-48.6-179.8-73.5172.2000111.8L34 Q35 T36 I70 K78 L81 I82 L85L34-L38 WeakPolarHBondContact O-CB 3.36Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.28Å; L34-L38 PolarHBondContact O-N 3.32Å; Q35-L38 PolarHBondContact O-N 3.45Å; Q35-L38 VanDerWaalsContact O-N 3.12Å; T36-L38 PolarHBondContact O-N 3.47Å; L38-I70 HydrophobicContact CD2-CG2 4.17Å; L38-K78 WeakPolarHBondContact O-CE 3.15Å; L38-K78 PolarHBondContact O-NZ 2.82Å; L38-L81 HydrophobicContact CD1-CB 4.4Å; L38-L81 HydrophobicContact CD2-CB 4.14Å; L38-L81 HydrophobicContact CD2-CD1 4.08Å; L38-I82 HydrophobicContact CD1-CG1 4.31Å; L38-L85 HydrophobicContact CD1-CD2 4.31Å
39V89.9Confident89Confident88 Ų8848.1 Ų48.153%0.53325%0.253SS..Hα-helixtrans-108.7-20.6-170-64.10000115.2Q35 I82Q35-V39 HydrophobicContact CG-CG2 4.19Å; Q35-V39 WeakPolarHBondContact O-CG2 3.37Å; Q35-V39 PolarHBondContact O-N 2.94Å; V39-I82 HydrophobicContact CG1-CD1 3.64Å; V39-I82 HydrophobicContact CG1-CG1 4.31Å
40G91.3Very high89.3Confident10 Ų1046.9 Ų46.910%0.10325%0.248CC..SBendtrans-93.1-160.4-175.700000114.7T36 E44 K67T36-G40 CarbonylContact O-C 3.58Å; T36-G40 WeakPolarHBondContact O-CA 3.19Å; T36-G40 PolarHBondContact O-N 3.34Å; G40-E44 VanDerWaalsContact C-OE2 3.26Å; G40-E44 WeakPolarHBondContact CA-OE2 3.49Å; G40-K67 WeakPolarHBondContact O-CE 3.26Å; G40-K67 PolarHBondContact O-NZ 3.07Å
41T91.6Very high89.8Confident52 Ų5248 Ų4832%0.31927%0.267SS..  trans-110.5164.8175.883.30000112.3E43 E44 L45T41-E43 WeakPolarHBondContact CB-OE2 3.42Å; T41-E43 PolarHBondContact O-N 2.88Å; T41-E43 PolarHBondContact OG1-N 3.42Å; T41-E43 PolarHBondContact OG1-OE2 3.46Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 PolarHBondContact O-N 2.72Å; T41-E44 PolarHBondContact OG1-N 2.74Å; T41-L45 PolarHBondContact O-N 2.83Å; T41-L45 VanDerWaalsContact O-N 3.1Å
42P89.8Confident89.9Confident20 Ų2054.8 Ų54.813%0.1330%0.296CS..Hα-helixtrans-56-39.1170.1-2536000112.9L45 Y46 K67P42-L45 WeakPolarHBondContact O-CB 3.31Å; P42-L45 PolarHBondContact O-N 3.44Å; P42-Y46 HydrophobicContact CB-CE2 3.93Å; P42-Y46 WeakPolarHBondContact O-CD2 3.32Å; P42-Y46 WeakPolarHBondContact O-CE2 3.42Å; P42-Y46 PolarHBondContact O-N 3.06Å; P42-Y46 VanDerWaalsContact O-N 3.13Å; P42-K67 HydrophobicContact CG-CB 4.19Å; P42-K67 HydrophobicContact CG-CG 3.99Å
43E92.4Very high89.8Confident112 Ų11256.8 Ų56.852%0.52330%0.299SS..Hα-helixtrans-62.7-45.3177.8-61.670.6-15300111.2T41 L45 Y46 E47T41-E43 WeakPolarHBondContact CB-OE2 3.42Å; T41-E43 PolarHBondContact O-N 2.88Å; T41-E43 PolarHBondContact OG1-N 3.42Å; T41-E43 PolarHBondContact OG1-OE2 3.46Å; E43-L45 VanDerWaalsContact C-N 3.26Å; E43-L45 PolarHBondContact O-N 3.12Å; E43-Y46 PolarHBondContact O-N 2.78Å; E43-E47 PolarHBondContact O-N 3.04Å
44E93.5Very high89.7Confident98 Ų9863.2 Ų63.246%0.45834%0.335SS..Hα-helixtrans-62-33.5175.9-67.6173.9151.400112T36 G40 T41 G48T36-E44 HydrophobicContact CG2-CB 3.84Å; G40-E44 VanDerWaalsContact C-OE2 3.26Å; G40-E44 WeakPolarHBondContact CA-OE2 3.49Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 PolarHBondContact O-N 2.72Å; T41-E44 PolarHBondContact OG1-N 2.74Å; E44-G48 WeakPolarHBondContact O-CA 2.9Å; E44-G48 PolarHBondContact O-N 2.9Å
45L90.9Very high89.7Confident1 Ų163.5 Ų63.51%0.00534%0.337CS..Hα-helixtrans-62.5-41.9171.7-81.3166000111.9F33 T36 L37 T41 P42 E43 P49 L50F33-L45 HydrophobicContact CD2-CD2 3.69Å; F33-L45 HydrophobicContact CE2-CD2 3.82Å; F33-L45 HydrophobicContact CG-CD2 4.49Å; T36-L45 HydrophobicContact CG2-CB 4.45Å; T36-L45 HydrophobicContact CG2-CD2 3.9Å; T36-L45 HydrophobicContact CG2-CG 3.83Å; L37-L45 HydrophobicContact CB-CD1 4.31Å; L37-L45 HydrophobicContact CB-CD2 4.26Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; T41-L45 PolarHBondContact O-N 2.83Å; T41-L45 VanDerWaalsContact O-N 3.1Å; P42-L45 WeakPolarHBondContact O-CB 3.31Å; P42-L45 PolarHBondContact O-N 3.44Å; E43-L45 VanDerWaalsContact C-N 3.26Å; E43-L45 PolarHBondContact O-N 3.12Å; L45-P49 HydrophobicContact CD2-CG 4Å; L45-L50 HydrophobicContact CB-CD1 4.39Å; L45-L50 WeakPolarHBondContact O-CA 3.41Å; L45-L50 WeakPolarHBondContact O-CB 3.4Å; L45-L50 WeakPolarHBondContact O-CG 3.36Å; L45-L50 PolarHBondContact O-N 3.17Å
46Y91Very high89.7Confident47 Ų4763.2 Ų63.218%0.18434%0.339CS..Hα-helixtrans-78.2-32.3-178.6-55.4-49.8000113.5P42 E43 L50 G51 V55 K60 M63P42-Y46 HydrophobicContact CB-CE2 3.93Å; P42-Y46 WeakPolarHBondContact O-CD2 3.32Å; P42-Y46 WeakPolarHBondContact O-CE2 3.42Å; P42-Y46 PolarHBondContact O-N 3.06Å; P42-Y46 VanDerWaalsContact O-N 3.13Å; E43-Y46 PolarHBondContact O-N 2.78Å; Y46-L50 HydrophobicContact CD1-CB 4.5Å; Y46-L50 HydrophobicContact CD1-CD1 3.97Å; Y46-L50 HydrophobicContact CE1-CD1 4.07Å; Y46-G51 WeakPolarHBondContact O-CA 3.33Å; Y46-G51 PolarHBondContact O-N 3.34Å; Y46-V55 HydrophobicContact CE1-CG1 4.28Å; Y46-K60 HydrophobicContact CE1-CG 3.9Å; Y46-K60 HydrophobicContact CE2-CG 4.28Å; Y46-K60 VanDerWaalsContact OH-CA 3.27Å; Y46-K60 WeakPolarHBondContact OH-CA 3.29Å; Y46-K60 PolarHBondContact OH-O 3.43Å; Y46-M63 WeakPolarHBondContact OH-CB 3.26Å
47E91.9Very high89.8Confident169 Ų16968.4 Ų68.479%0.7936%0.362SS*.Hα-helixtrans-81.8-28.9176.5-68-175.8170.600112E43E43-E47 PolarHBondContact O-N 3.04Å
48G90.1Very high89.7Confident41 Ų4174.4 Ų74.442%0.42339%0.394SS..THydrogen-bonded Turntrans-95.2-110.117900000112.8E44 L50 G51E44-G48 WeakPolarHBondContact O-CA 2.9Å; E44-G48 PolarHBondContact O-N 2.9Å; G48-L50 VanDerWaalsContact C-N 3.26Å; G48-L50 PolarHBondContact O-N 3.09Å; G48-L50 VanDerWaalsContact O-N 3.15Å; G48-G51 PolarHBondContact O-N 3.45Å
49P88.9Confident89.5Confident11 Ų1175.2 Ų75.27%0.07140%0.404CS..THydrogen-bonded Turntrans-59-35.5-167.321-32.6000112.9F29 F33 L45F29-P49 HydrophobicContact CD2-CB 4.32Å; F29-P49 HydrophobicContact CE2-CB 4.07Å; F29-P49 VanDerWaalsContact CE2-O 3.28Å; F29-P49 WeakPolarHBondContact CE2-O 3.11Å; F33-P49 HydrophobicContact CB-CB 4.15Å; F33-P49 HydrophobicContact CB-CG 4.4Å; L45-P49 HydrophobicContact CD2-CG 4Å
50L88.1Confident89.4Confident22 Ų2274.2 Ų74.212%0.11539%0.392CS..THydrogen-bonded Turntrans-87.2-3.8179.1-55.3178.8000114.2F29 F33 L45 Y46 G48 K52 Y53 V55F29-L50 HydrophobicContact CZ-CD2 4.3Å; F33-L50 HydrophobicContact CD2-CD2 3.94Å; F33-L50 HydrophobicContact CD2-CG 4.2Å; F33-L50 HydrophobicContact CE2-CD1 4.12Å; F33-L50 HydrophobicContact CE2-CD2 4.03Å; F33-L50 HydrophobicContact CE2-CG 4.23Å; L45-L50 HydrophobicContact CB-CD1 4.39Å; L45-L50 WeakPolarHBondContact O-CA 3.41Å; L45-L50 WeakPolarHBondContact O-CB 3.4Å; L45-L50 WeakPolarHBondContact O-CG 3.36Å; L45-L50 PolarHBondContact O-N 3.17Å; Y46-L50 HydrophobicContact CD1-CB 4.5Å; Y46-L50 HydrophobicContact CD1-CD1 3.97Å; Y46-L50 HydrophobicContact CE1-CD1 4.07Å; G48-L50 VanDerWaalsContact C-N 3.26Å; G48-L50 PolarHBondContact O-N 3.09Å; G48-L50 VanDerWaalsContact O-N 3.15Å; L50-K52 PolarHBondContact O-N 3.07Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-Y53 HydrophobicContact CD2-CD2 4.39Å; L50-Y53 WeakPolarHBondContact O-CB 3.15Å; L50-Y53 PolarHBondContact O-N 2.96Å; L50-V55 HydrophobicContact CB-CG2 4.2Å; L50-V55 HydrophobicContact CD1-CG2 4.42Å
51G88.3Confident89.3Confident48 Ų4876.2 Ų76.250%0.49541%0.408SS..THydrogen-bonded Turntrans-63-22.4-17100000115.3Y46 G48 Y53Y46-G51 WeakPolarHBondContact O-CA 3.33Å; Y46-G51 PolarHBondContact O-N 3.34Å; G48-G51 PolarHBondContact O-N 3.45Å; G51-Y53 VanDerWaalsContact C-N 3.3Å
52K84.9Confident89.1Confident150 Ų15076.5 Ų76.565%0.65242%0.415SS*.THydrogen-bonded Turntrans-79.7-8.4173.168.4-174.8177.5-174.50114.1L50L50-K52 PolarHBondContact O-N 3.07Å; L50-K52 VanDerWaalsContact O-N 3.1Å
53Y83.7Confident89Confident118 Ų11876.8 Ų76.846%0.46342%0.415SS..SBendtrans-107140.2-177.1-59.3-84.6000111.4F29 L50 G51 V55F29-Y53 AromaticContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CZ-CE2 4.02Å; L50-Y53 HydrophobicContact CD2-CD2 4.39Å; L50-Y53 WeakPolarHBondContact O-CB 3.15Å; L50-Y53 PolarHBondContact O-N 2.96Å; G51-Y53 VanDerWaalsContact C-N 3.3Å; Y53-V55 VanDerWaalsContact C-N 3.35Å; Y53-V55 PolarHBondContact O-N 2.87Å
54N88.3Confident88.8Confident166 Ų16675.2 Ų75.289%0.88841%0.413SS*.  trans-80.884.1169.8-173.630.6000110N56N54-N56 PolarHBondContact O-N 3.35Å
55V87.7Confident88.7Confident28 Ų2877.2 Ų77.217%0.1742%0.422CS..  trans-76.3120.1179.2-171.60000109.6Y46 L50 Y53 A59 K60Y46-V55 HydrophobicContact CE1-CG1 4.28Å; L50-V55 HydrophobicContact CB-CG2 4.2Å; L50-V55 HydrophobicContact CD1-CG2 4.42Å; Y53-V55 VanDerWaalsContact C-N 3.35Å; Y53-V55 PolarHBondContact O-N 2.87Å; V55-A59 HydrophobicContact CG1-CB 3.67Å; V55-K60 HydrophobicContact CB-CG 4.46Å; V55-K60 HydrophobicContact CG1-CG 3.88Å; V55-K60 WeakPolarHBondContact O-CE 3.35Å
56N88.2Confident88.6Confident96 Ų9679.5 Ų79.551%0.51343%0.434SS..  trans-73.9165.1178.269.347.6000112.4N54 D58 A59 K60N54-N56 PolarHBondContact O-N 3.35Å; N56-D58 PolarHBondContact O-N 3.4Å; N56-D58 PolarHBondContact OD1-N 3.5Å; N56-A59 PolarHBondContact O-N 3.47Å; N56-A59 WeakPolarHBondContact OD1-CB 3.47Å; N56-A59 PolarHBondContact OD1-N 3.44Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 2.89Å
57E93.1Very high88.5Confident130 Ų13077.8 Ų77.861%0.60743%0.428SS*.Hα-helixtrans-63.4-36.5-174.4-64.2-57.1117.800113.7A59 K60 A61E57-A59 VanDerWaalsContact C-N 3.35Å; E57-A59 PolarHBondContact O-N 2.81Å; E57-K60 PolarHBondContact O-N 3.48Å; E57-K60 IonicContact OE1-NZ 2.78Å; E57-K60 PolarHBondContact OE1-NZ 3.17Å; E57-A61 PolarHBondContact O-N 3.34Å
58D89.7Confident88.3Confident136 Ų13673.7 Ų73.773%0.72742%0.418SS*.Hα-helixtrans-66.4-39.3177.4-66.2-31.2000111.5N56 K60 A61 A62N56-D58 PolarHBondContact O-N 3.4Å; N56-D58 PolarHBondContact OD1-N 3.5Å; D58-K60 VanDerWaalsContact C-N 3.35Å; D58-A61 PolarHBondContact O-N 3.48Å; D58-A62 WeakPolarHBondContact O-CB 3.27Å; D58-A62 PolarHBondContact O-N 2.87Å
59A86.5Confident88.4Confident37 Ų3776 Ų7631%0.30643%0.426SS..Hα-helixtrans-66.4-38.3174.600000111.3V55 N56 E57 A62 M63V55-A59 HydrophobicContact CG1-CB 3.67Å; N56-A59 PolarHBondContact O-N 3.47Å; N56-A59 WeakPolarHBondContact OD1-CB 3.47Å; N56-A59 PolarHBondContact OD1-N 3.44Å; E57-A59 VanDerWaalsContact C-N 3.35Å; E57-A59 PolarHBondContact O-N 2.81Å; A59-A62 PolarHBondContact O-N 3.32Å; A59-M63 WeakPolarHBondContact O-CB 3.31Å; A59-M63 WeakPolarHBondContact O-CG 3.4Å; A59-M63 PolarHBondContact O-N 3.21Å
60K87.9Confident88.4Confident67 Ų6776.4 Ų76.429%0.29143%0.428SS..Hα-helixtrans-63.7-42.5173.5-67.7179.5-172.7163.40111.9Y46 V55 N56 E57 D58 M63 T64Y46-K60 HydrophobicContact CE1-CG 3.9Å; Y46-K60 HydrophobicContact CE2-CG 4.28Å; Y46-K60 VanDerWaalsContact OH-CA 3.27Å; Y46-K60 WeakPolarHBondContact OH-CA 3.29Å; Y46-K60 PolarHBondContact OH-O 3.43Å; V55-K60 HydrophobicContact CB-CG 4.46Å; V55-K60 HydrophobicContact CG1-CG 3.88Å; V55-K60 WeakPolarHBondContact O-CE 3.35Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 2.89Å; E57-K60 PolarHBondContact O-N 3.48Å; E57-K60 IonicContact OE1-NZ 2.78Å; E57-K60 PolarHBondContact OE1-NZ 3.17Å; D58-K60 VanDerWaalsContact C-N 3.35Å; K60-M63 PolarHBondContact O-N 2.99Å; K60-T64 PolarHBondContact O-N 3.19Å; K60-T64 PolarHBondContact O-OG1 3.17Å; K60-T64 VanDerWaalsContact O-OG1 3.14Å
61A88.9Confident88.4Confident52 Ų5279.3 Ų79.343%0.4344%0.443SS..Hα-helixtrans-61.2-47.1176.100000111.5E57 D58 M63 T64 E65E57-A61 PolarHBondContact O-N 3.34Å; D58-A61 PolarHBondContact O-N 3.48Å; A61-M63 VanDerWaalsContact C-N 3.25Å; A61-M63 PolarHBondContact O-N 2.78Å; A61-T64 WeakPolarHBondContact O-CB 3.49Å; A61-T64 PolarHBondContact O-N 3.13Å; A61-E65 PolarHBondContact O-N 3.25Å; A61-E65 VanDerWaalsContact O-N 3.1Å
62A87.8Confident88.5Confident57 Ų5780.1 Ų80.147%0.47145%0.452SS..Hα-helixtrans-59.7-37.2175.200000112.2D58 A59 E65 L66D58-A62 WeakPolarHBondContact O-CB 3.27Å; D58-A62 PolarHBondContact O-N 2.87Å; A59-A62 PolarHBondContact O-N 3.32Å; A62-E65 PolarHBondContact O-N 2.91Å; A62-L66 PolarHBondContact O-N 3.49Å
63M87.2Confident88.8Confident27 Ų2775.9 Ų75.913%0.13344%0.436CS..Hα-helixtrans-69.4-38.1178.5-77.3-84.231.800113F33 L37 Y46 A59 K60 A61 E65 L66 K67F33-M63 HydrophobicContact CE2-SD 4.4Å; F33-M63 HydrophobicContact CZ-SD 4.24Å; L37-M63 HydrophobicContact CD1-CE 3.84Å; Y46-M63 WeakPolarHBondContact OH-CB 3.26Å; A59-M63 WeakPolarHBondContact O-CB 3.31Å; A59-M63 WeakPolarHBondContact O-CG 3.4Å; A59-M63 PolarHBondContact O-N 3.21Å; K60-M63 PolarHBondContact O-N 2.99Å; A61-M63 VanDerWaalsContact C-N 3.25Å; A61-M63 PolarHBondContact O-N 2.78Å; M63-E65 VanDerWaalsContact C-N 3.35Å; M63-L66 HydrophobicContact CE-CB 3.9Å; M63-L66 HydrophobicContact CE-CD2 3.53Å; M63-L66 HydrophobicContact CE-CG 4.13Å; M63-L66 PolarHBondContact O-N 2.85Å; M63-K67 WeakPolarHBondContact O-CB 2.98Å; M63-K67 PolarHBondContact O-N 3.25Å
64T89Confident89.2Confident78 Ų7876.2 Ų76.248%0.47944%0.442SS..Hα-helixtrans-61-42.7171.7-61.70000111.6K60 A61 K67 S68K60-T64 PolarHBondContact O-N 3.19Å; K60-T64 PolarHBondContact O-OG1 3.17Å; K60-T64 VanDerWaalsContact O-OG1 3.14Å; A61-T64 WeakPolarHBondContact O-CB 3.49Å; A61-T64 PolarHBondContact O-N 3.13Å; T64-K67 PolarHBondContact O-N 3.1Å; T64-S68 WeakPolarHBondContact O-CB 3.25Å; T64-S68 PolarHBondContact O-N 3.28Å
65E91Very high89.4Confident141 Ų14173.7 Ų73.766%0.65943%0.434SS*.Hα-helixtrans-64.2-43.5175.7-71.5-174.6-168.700112.3A61 A62 M63 K67 S68 C69A61-E65 PolarHBondContact O-N 3.25Å; A61-E65 VanDerWaalsContact O-N 3.1Å; A62-E65 PolarHBondContact O-N 2.91Å; M63-E65 VanDerWaalsContact C-N 3.35Å; E65-K67 VanDerWaalsContact C-N 3.32Å; E65-K67 PolarHBondContact O-N 3.22Å; E65-S68 PolarHBondContact O-N 3.46Å; E65-C69 PolarHBondContact O-N 3.33Å; E65-C69 VanDerWaalsContact O-N 3.07Å; E65-C69 PolarHBondContact O-SG 2.89Å
66L87.9Confident89.7Confident49 Ų4978.9 Ų78.926%0.25746%0.458SS..Hα-helixtrans-60.7-44.1175.8-179.158.8000110.9V10 L37 A62 M63 S68 C69 I70V10-L66 HydrophobicContact CG2-CD1 3.9Å; L37-L66 HydrophobicContact CD1-CD2 4.4Å; L37-L66 HydrophobicContact CD2-CD2 4.14Å; A62-L66 PolarHBondContact O-N 3.49Å; M63-L66 HydrophobicContact CE-CB 3.9Å; M63-L66 HydrophobicContact CE-CD2 3.53Å; M63-L66 HydrophobicContact CE-CG 4.13Å; M63-L66 PolarHBondContact O-N 2.85Å; L66-S68 PolarHBondContact O-N 3.27Å; L66-C69 WeakPolarHBondContact O-CB 3.28Å; L66-C69 PolarHBondContact O-N 3.18Å; L66-C69 VanDerWaalsContact O-N 3.17Å; L66-I70 HydrophobicContact CD1-CD1 4.42Å; L66-I70 HydrophobicContact CG-CD1 4.19Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 2.93Å; L66-I70 VanDerWaalsContact O-N 3.09Å
67K88.7Confident89.8Confident10 Ų1078.7 Ų78.74%0.04345%0.454CS..Hα-helixtrans-63.4-42.4179.3-17255.7162.6680111.9L37 G40 P42 M63 T64 E65 C69 I70 D71L37-K67 HydrophobicContact CD1-CD 4.36Å; L37-K67 WeakPolarHBondContact O-CD 3.36Å; L37-K67 WeakPolarHBondContact O-CE 3.46Å; G40-K67 WeakPolarHBondContact O-CE 3.26Å; G40-K67 PolarHBondContact O-NZ 3.07Å; P42-K67 HydrophobicContact CG-CB 4.19Å; P42-K67 HydrophobicContact CG-CG 3.99Å; M63-K67 WeakPolarHBondContact O-CB 2.98Å; M63-K67 PolarHBondContact O-N 3.25Å; T64-K67 PolarHBondContact O-N 3.1Å; E65-K67 VanDerWaalsContact C-N 3.32Å; E65-K67 PolarHBondContact O-N 3.22Å; K67-C69 VanDerWaalsContact C-N 3.27Å; K67-C69 PolarHBondContact O-N 3.39Å; K67-I70 PolarHBondContact O-N 3.11Å; K67-D71 IonicContact NZ-OD1 2.74Å; K67-D71 PolarHBondContact NZ-OD1 2.9Å; K67-D71 IonicContact NZ-OD2 2.72Å; K67-D71 PolarHBondContact NZ-OD2 3.35Å; K67-D71 PolarHBondContact O-N 3.36Å
68S89.1Confident89.5Confident83 Ų8374.7 Ų74.758%0.5844%0.435SS*.Hα-helixtrans-57.6-40.3173.6-1790000112.2T64 E65 L66 I70 D71 G72T64-S68 WeakPolarHBondContact O-CB 3.25Å; T64-S68 PolarHBondContact O-N 3.28Å; E65-S68 PolarHBondContact O-N 3.46Å; L66-S68 PolarHBondContact O-N 3.27Å; S68-I70 VanDerWaalsContact C-N 3.33Å; S68-I70 PolarHBondContact O-N 3.41Å; S68-D71 PolarHBondContact O-N 2.96Å; S68-G72 PolarHBondContact O-N 3.36Å
69C90.6Very high89.5Confident89 Ų8970.2 Ų70.260%0.60142%0.417SS*.Hα-helixtrans-63.2-38.8174.9-67.40000112.6E65 L66 K67E65-C69 PolarHBondContact O-N 3.33Å; E65-C69 VanDerWaalsContact O-N 3.07Å; E65-C69 PolarHBondContact O-SG 2.89Å; L66-C69 WeakPolarHBondContact O-CB 3.28Å; L66-C69 PolarHBondContact O-N 3.18Å; L66-C69 VanDerWaalsContact O-N 3.17Å; K67-C69 VanDerWaalsContact C-N 3.27Å; K67-C69 PolarHBondContact O-N 3.39Å
70I89Confident89.7Confident21 Ų2172.7 Ų72.711%0.10842%0.422CS..Hα-helixtrans-72.3-41178.7-67.1170.8000111.1L37 L38 L66 K67 S68 G72 L73L37-I70 HydrophobicContact CD1-CD1 3.8Å; L37-I70 HydrophobicContact CD2-CD1 3.8Å; L37-I70 HydrophobicContact CG-CD1 3.52Å; L38-I70 HydrophobicContact CD2-CG2 4.17Å; L66-I70 HydrophobicContact CD1-CD1 4.42Å; L66-I70 HydrophobicContact CG-CD1 4.19Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 2.93Å; L66-I70 VanDerWaalsContact O-N 3.09Å; K67-I70 PolarHBondContact O-N 3.11Å; S68-I70 VanDerWaalsContact C-N 3.33Å; S68-I70 PolarHBondContact O-N 3.41Å; I70-G72 VanDerWaalsContact C-N 3.26Å; I70-G72 PolarHBondContact O-N 2.97Å; I70-L73 HydrophobicContact CG2-CD1 4.41Å; I70-L73 VanDerWaalsContact O-CB 3.23Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 VanDerWaalsContact O-CG 3.26Å; I70-L73 WeakPolarHBondContact O-CG 3.18Å; I70-L73 PolarHBondContact O-N 3.48Å; I70-L73 VanDerWaalsContact O-N 3.11Å
71D89.4Confident89.7Confident82 Ų8273 Ų7344%0.43943%0.426SS..Hα-helixtrans-70.6-24.7178.1-70.3-23.9000112.5K67 S68 L73 K78K67-D71 IonicContact NZ-OD1 2.74Å; K67-D71 PolarHBondContact NZ-OD1 2.9Å; K67-D71 IonicContact NZ-OD2 2.72Å; K67-D71 PolarHBondContact NZ-OD2 3.35Å; K67-D71 PolarHBondContact O-N 3.36Å; S68-D71 PolarHBondContact O-N 2.96Å; D71-L73 PolarHBondContact O-N 3.46Å; D71-K78 IonicContact OD1-NZ 3.09Å; D71-K78 PolarHBondContact OD1-NZ 2.83Å; D71-K78 VanDerWaalsContact OD1-NZ 3.09Å
72G90.8Very high89.6Confident65 Ų6573.4 Ų73.467%0.6742%0.421SS*.THydrogen-bonded Turntrans-73.7-5.917000000114.9S68 I70S68-G72 PolarHBondContact O-N 3.36Å; I70-G72 VanDerWaalsContact C-N 3.26Å; I70-G72 PolarHBondContact O-N 2.97Å
73L90.7Very high89.5Confident62 Ų6276.4 Ų76.433%0.32542%0.424SS..SBendtrans-67.9144.7176.2-66.1173.9000111.1I70 D71 L81I70-L73 HydrophobicContact CG2-CD1 4.41Å; I70-L73 VanDerWaalsContact O-CB 3.23Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 VanDerWaalsContact O-CG 3.26Å; I70-L73 WeakPolarHBondContact O-CG 3.18Å; I70-L73 PolarHBondContact O-N 3.48Å; I70-L73 VanDerWaalsContact O-N 3.11Å; D71-L73 PolarHBondContact O-N 3.46Å; L73-L81 HydrophobicContact CD1-CD1 3.64Å
74Q92.3Very high89.4Confident125 Ų12580 Ų8058%0.58444%0.443SS*.  trans-58.1140.3169.4-66.1-176.3-79.200109.8M76 H77 K78Q74-M76 PolarHBondContact O-N 2.98Å; Q74-H77 PolarHBondContact O-N 3.34Å; Q74-H77 PolarHBondContact OE1-CE1 2.84Å; Q74-K78 PolarHBondContact O-N 2.85Å; Q74-K78 VanDerWaalsContact O-N 3.11Å
75P92.3Very high89Confident112 Ų11277.1 Ų77.173%0.72742%0.424SS*.Hα-helixtrans-52-37-177.5-30.335.3000113.9K78 A79P75-K78 PolarHBondContact O-N 3.32Å; P75-A79 WeakPolarHBondContact O-CB 3.21Å; P75-A79 PolarHBondContact O-N 2.64Å
76M94.1Very high88.5Confident137 Ų13774.7 Ų74.768%0.67542%0.419SS*.Hα-helixtrans-62-45176.2-176.2177.7177.900112.5Q74 K78 A79 E80Q74-M76 PolarHBondContact O-N 2.98Å; M76-K78 VanDerWaalsContact C-N 3.34Å; M76-A79 PolarHBondContact O-N 3.29Å; M76-E80 WeakPolarHBondContact O-CG 2.89Å; M76-E80 PolarHBondContact O-N 3.19Å
77H90.4Very high88Confident93 Ų9378.7 Ų78.743%0.43144%0.436SS..Hα-helixtrans-67.1-38.5178.6-60.4153.5000111.6Q74 A79 E80 L81Q74-H77 PolarHBondContact O-N 3.34Å; Q74-H77 PolarHBondContact OE1-CE1 2.84Å; H77-A79 VanDerWaalsContact C-N 3.32Å; H77-A79 PolarHBondContact O-N 2.87Å; H77-E80 PolarHBondContact O-N 3.46Å; H77-L81 WeakPolarHBondContact O-CG 3.18Å; H77-L81 PolarHBondContact O-N 3.19Å
78K87.2Confident87.3Confident45 Ų4581.5 Ų81.520%0.19645%0.454CS..Hα-helixtrans-61.5-41.8174.8-167.7168.6-177.8168.50111.3L38 D71 Q74 P75 M76 L81 I82L38-K78 WeakPolarHBondContact O-CE 3.15Å; L38-K78 PolarHBondContact O-NZ 2.82Å; D71-K78 IonicContact OD1-NZ 3.09Å; D71-K78 PolarHBondContact OD1-NZ 2.83Å; D71-K78 VanDerWaalsContact OD1-NZ 3.09Å; Q74-K78 PolarHBondContact O-N 2.85Å; Q74-K78 VanDerWaalsContact O-N 3.11Å; P75-K78 PolarHBondContact O-N 3.32Å; M76-K78 VanDerWaalsContact C-N 3.34Å; K78-L81 PolarHBondContact O-N 2.96Å; K78-I82 WeakPolarHBondContact O-CG1 3.19Å; K78-I82 PolarHBondContact O-N 2.94Å; K78-I82 VanDerWaalsContact O-N 3.16Å
79A89.4Confident86.2Confident43 Ų4380.7 Ų80.736%0.35544%0.443SS..Hα-helixtrans-63.8-40.7175.100000113P75 M76 H77 I82 K83P75-A79 WeakPolarHBondContact O-CB 3.21Å; P75-A79 PolarHBondContact O-N 2.64Å; M76-A79 PolarHBondContact O-N 3.29Å; H77-A79 VanDerWaalsContact C-N 3.32Å; H77-A79 PolarHBondContact O-N 2.87Å; A79-I82 PolarHBondContact O-N 3.15Å; A79-K83 WeakPolarHBondContact O-CG 3.49Å; A79-K83 PolarHBondContact O-N 3.19Å
80E91Very high85Confident88 Ų8878.8 Ų78.841%0.41144%0.438SS..Hα-helixtrans-66.5-35.6176.2-67.8-53.9130.900112.6M76 H77 I82 K83 L84M76-E80 WeakPolarHBondContact O-CG 2.89Å; M76-E80 PolarHBondContact O-N 3.19Å; H77-E80 PolarHBondContact O-N 3.46Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.84Å; E80-K83 PolarHBondContact O-N 3.02Å; E80-K83 IonicContact OE1-NZ 2.71Å; E80-K83 PolarHBondContact OE1-NZ 2.88Å; E80-K83 IonicContact OE2-NZ 3.96Å; E80-L84 PolarHBondContact O-N 3.13Å
81L87.2Confident83.5Confident73 Ų7381.1 Ų81.138%0.38246%0.456SS..Hα-helixtrans-63-39.7172.6-71.4175.1000112.3L38 L73 H77 K78 L84 L85L38-L81 HydrophobicContact CD1-CB 4.4Å; L38-L81 HydrophobicContact CD2-CB 4.14Å; L38-L81 HydrophobicContact CD2-CD1 4.08Å; L73-L81 HydrophobicContact CD1-CD1 3.64Å; H77-L81 WeakPolarHBondContact O-CG 3.18Å; H77-L81 PolarHBondContact O-N 3.19Å; K78-L81 PolarHBondContact O-N 2.96Å; L81-L84 PolarHBondContact O-N 3.14Å; L81-L85 PolarHBondContact O-N 3.24Å
82I86.3Confident81.9Confident62 Ų6281.3 Ų81.332%0.31845%0.454SS..Hα-helixtrans-65.1-43.7175.6-65.6164.9000110.6L38 V39 K78 A79 E80 L84 L85 V86L38-I82 HydrophobicContact CD1-CG1 4.31Å; V39-I82 HydrophobicContact CG1-CD1 3.64Å; V39-I82 HydrophobicContact CG1-CG1 4.31Å; K78-I82 WeakPolarHBondContact O-CG1 3.19Å; K78-I82 PolarHBondContact O-N 2.94Å; K78-I82 VanDerWaalsContact O-N 3.16Å; A79-I82 PolarHBondContact O-N 3.15Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.84Å; I82-L84 VanDerWaalsContact C-N 3.31Å; I82-L84 PolarHBondContact O-N 2.97Å; I82-L85 WeakPolarHBondContact O-CB 3.38Å; I82-L85 PolarHBondContact O-N 3.22Å; I82-V86 WeakPolarHBondContact O-CG2 3.46Å; I82-V86 PolarHBondContact O-N 3.21Å
83K86.4Confident79.9Confident120 Ų12085.7 Ų85.752%0.52246%0.463SS..Hα-helixtrans-60.6-41.6176-71.4176-173.2170.10112.1A79 E80 L85 V86 H87A79-K83 WeakPolarHBondContact O-CG 3.49Å; A79-K83 PolarHBondContact O-N 3.19Å; E80-K83 PolarHBondContact O-N 3.02Å; E80-K83 IonicContact OE1-NZ 2.71Å; E80-K83 PolarHBondContact OE1-NZ 2.88Å; E80-K83 IonicContact OE2-NZ 3.96Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å; K83-V86 PolarHBondContact O-N 3.37Å; K83-H87 PolarHBondContact O-N 2.93Å
84L84.4Confident78Confident102 Ų10286.3 Ų86.353%0.53448%0.483SS..Hα-helixtrans-60.2-44175.4-179.762.9000111E80 L81 I82 V86 H87 V88E80-L84 PolarHBondContact O-N 3.13Å; L81-L84 PolarHBondContact O-N 3.14Å; I82-L84 VanDerWaalsContact C-N 3.31Å; I82-L84 PolarHBondContact O-N 2.97Å; L84-V86 PolarHBondContact O-N 3.1Å; L84-H87 PolarHBondContact O-N 2.95Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 2.86Å
85L80.9Confident75.5Confident18 Ų1888.2 Ų88.29%0.09452%0.521CS..Hα-helixtrans-58.7-47.7176-171.772000111.5M31 L34 Q35 L38 L81 I82 K83 H87 V88 L89M31-L85 HydrophobicContact CE-CD1 3.4Å; M31-L85 HydrophobicContact CE-CG 3.97Å; M31-L85 HydrophobicContact SD-CD1 3.73Å; L34-L85 HydrophobicContact CB-CD1 3.83Å; L34-L85 HydrophobicContact CB-CD2 4.42Å; L34-L85 HydrophobicContact CD1-CD1 3.68Å; L34-L85 HydrophobicContact CG-CD1 4.45Å; Q35-L85 HydrophobicContact CB-CD2 4.04Å; L38-L85 HydrophobicContact CD1-CD2 4.31Å; L81-L85 PolarHBondContact O-N 3.24Å; I82-L85 WeakPolarHBondContact O-CB 3.38Å; I82-L85 PolarHBondContact O-N 3.22Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å; L85-H87 VanDerWaalsContact C-N 3.3Å; L85-H87 PolarHBondContact O-N 3.43Å; L85-V88 PolarHBondContact O-N 3.1Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.01Å
86V80.3Confident74.7Confident89 Ų8987 Ų8754%0.53951%0.51SS..Hα-helixtrans-61.1-38.6176.7173.70000111.7I82 K83 L84 L89 G90I82-V86 WeakPolarHBondContact O-CG2 3.46Å; I82-V86 PolarHBondContact O-N 3.21Å; K83-V86 PolarHBondContact O-N 3.37Å; L84-V86 PolarHBondContact O-N 3.1Å; V86-L89 WeakPolarHBondContact O-CB 3.48Å; V86-L89 PolarHBondContact O-N 3.33Å; V86-G90 PolarHBondContact O-N 3.38Å
87H77.9Confident73.7Confident134 Ų13484.4 Ų84.462%0.6250%0.502SS*.Hα-helixtrans-66.5-39.2177.7-169.269000112.2K83 L84 L85 L89 S91K83-H87 PolarHBondContact O-N 2.93Å; L84-H87 PolarHBondContact O-N 2.95Å; L85-H87 VanDerWaalsContact C-N 3.3Å; L85-H87 PolarHBondContact O-N 3.43Å; H87-L89 VanDerWaalsContact C-N 3.29Å; H87-L89 PolarHBondContact O-N 3.04Å; H87-S91 WeakPolarHBondContact O-CB 3.33Å; H87-S91 PolarHBondContact O-N 2.84Å; H87-S91 VanDerWaalsContact O-N 3.11Å; H87-S91 PolarHBondContact O-OG 3.49Å
88V72.6Confident72.8Confident69 Ų6983.9 Ų83.942%0.41851%0.505SS..Hα-helixtrans-65.2-33174.3173.40000111.6M31 L84 L85 Q92M31-V88 HydrophobicContact CE-CB 4.08Å; M31-V88 HydrophobicContact CE-CG1 3.81Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 2.86Å; L85-V88 PolarHBondContact O-N 3.1Å; V88-Q92 PolarHBondContact O-NE2 2.78Å
89L67.2Low71.9Confident66 Ų6686.2 Ų86.235%0.34652%0.524SS..Hα-helixtrans-70.9-55172.9-70169.9000112.3M31 L85 V86 H87 S91 Q92M31-L89 HydrophobicContact CB-CD2 3.87Å; M31-L89 HydrophobicContact CE-CB 4.4Å; M31-L89 HydrophobicContact CE-CD1 4.12Å; M31-L89 HydrophobicContact CE-CD2 3.3Å; M31-L89 HydrophobicContact CE-CG 3.29Å; M31-L89 HydrophobicContact CG-CD2 3.58Å; M31-L89 HydrophobicContact SD-CD2 4.31Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.01Å; V86-L89 WeakPolarHBondContact O-CB 3.48Å; V86-L89 PolarHBondContact O-N 3.33Å; H87-L89 VanDerWaalsContact C-N 3.29Å; H87-L89 PolarHBondContact O-N 3.04Å; L89-S91 PolarHBondContact O-N 3.24Å; L89-S91 VanDerWaalsContact O-N 3.12Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 PolarHBondContact O-N 3.23Å
90G64.3Low70.8Confident49 Ų4988.9 Ų88.951%0.50553%0.534SS..Hα-helixtrans-67.1-14.7-175.500000114.2V86 Q92V86-G90 PolarHBondContact O-N 3.38Å; G90-Q92 VanDerWaalsContact C-N 3.29Å
91S59Low69.5Low70 Ų7088.9 Ų88.949%0.4954%0.542SS..THydrogen-bonded Turntrans-78.9-10.2172.3-57.50000113.4H87 L89H87-S91 WeakPolarHBondContact O-CB 3.33Å; H87-S91 PolarHBondContact O-N 2.84Å; H87-S91 VanDerWaalsContact O-N 3.11Å; H87-S91 PolarHBondContact O-OG 3.49Å; L89-S91 PolarHBondContact O-N 3.24Å; L89-S91 VanDerWaalsContact O-N 3.12Å
92Q54.2Low68.2Low86 Ų8690.1 Ų90.140%0.40255%0.554SS.*SBendtrans-85.9-18.9178.4-67.9179.656.200113.5N27 V88 L89 G90 G94N27-Q92 VanDerWaalsContact ND2-CD 3.27Å; N27-Q92 PolarHBondContact ND2-NE2 3.36Å; N27-Q92 VanDerWaalsContact ND2-NE2 3.19Å; N27-Q92 PolarHBondContact ND2-OE1 3.48Å; N27-Q92 PolarHBondContact OD1-NE2 2.89Å; V88-Q92 PolarHBondContact O-NE2 2.78Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 PolarHBondContact O-N 3.23Å; G90-Q92 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.26Å; Q92-G94 VanDerWaalsContact O-N 3.11Å
93D50.3Low66.8Low157 Ų15792.2 Ų92.284%0.8457%0.572SS**THydrogen-bonded Turntrans-77.611.9178.9-68.7-33000114
94G50.6Low65.2Low74 Ų7489.9 Ų89.976%0.76358%0.576SS**THydrogen-bonded Turntrans-133.921-17000000116.3Q92Q92-G94 PolarHBondContact O-N 3.26Å; Q92-G94 VanDerWaalsContact O-N 3.11Å
95A40.5Very low63.4Low165 Ų16588.8 Ų88.8100%1.36458%0.58SS**  trans-126.70176.300000112.2

Retrieved 95 of 95 residues in 67.8 ms (Link to these results)