A0A087WY76_HUMAN Loading...

ADP ribosylation factor like GTPase 17A

AlphaFold DB , UniProt , Accession A0A087WY76, Species HUMAN (Homo sapiens, Human), Gene ARL17B, Length 88 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
1M40.7Very low57.8Low231 Ų231117.3 Ų117.3100%1.13861%0.61SS**  094.80-69.2-64.2-169.300108N3M1-N3 PolarHBondContact O-N 3.16Å
2G44.4Very low58Low60 Ų60114.4 Ų114.462%0.61960%0.595SS**  trans-66.6120.1-173.900000111I4G2-I4 PolarHBondContact O-N 2.72Å; G2-I4 VanDerWaalsContact O-N 3.16Å
3N58.3Low58.1Low92 Ų92109.2 Ų109.249%0.49257%0.569SS.*  trans-51.1117.5-176.7-65.8-40.2000110.3M1 F5 E6 K7M1-N3 PolarHBondContact O-N 3.16Å; N3-F5 PolarHBondContact O-N 3.41Å; N3-E6 HydrophobicContact CB-CB 4.3Å; N3-E6 HydrophobicContact CB-CG 4.11Å; N3-E6 PolarHBondContact ND2-OE1 2.92Å; N3-E6 VanDerWaalsContact ND2-OE1 3.09Å; N3-E6 WeakPolarHBondContact O-CB 3.1Å; N3-E6 PolarHBondContact O-N 3.09Å; N3-K7 PolarHBondContact O-N 3.06Å
4I61.7Low58Low147 Ų147104.3 Ų104.375%0.75456%0.557SS**Hα-helixtrans-50.3-34.1175.6-70.2162.6000110.7G2 K7 L8G2-I4 PolarHBondContact O-N 2.72Å; G2-I4 VanDerWaalsContact O-N 3.16Å; I4-K7 PolarHBondContact O-N 3.33Å; I4-L8 WeakPolarHBondContact O-CB 3.5Å; I4-L8 PolarHBondContact O-N 2.81Å
5F55.7Low57.7Low107 Ų107110.2 Ų110.247%0.46958%0.576SS.*Hα-helixtrans-60.7-42.3174.6-128.7-101.6000113.5N3 L8 F9 I33N3-F5 PolarHBondContact O-N 3.41Å; F5-L8 PolarHBondContact O-N 2.72Å; F5-F9 AromaticContact CD1-CD2 3.69Å; F5-F9 HydrophobicContact CD1-CD2 3.69Å; F5-F9 AromaticContact CD1-CE2 3.65Å; F5-F9 HydrophobicContact CD1-CE2 3.65Å; F5-F9 AromaticContact CE1-CD2 3.92Å; F5-F9 HydrophobicContact CE1-CD2 3.92Å; F5-F9 AromaticContact CE1-CE2 3.37Å; F5-F9 HydrophobicContact CE1-CE2 3.37Å; F5-F9 HydrophobicContact CE1-CZ 4.36Å; F5-F9 HydrophobicContact CZ-CE2 4.29Å; F5-F9 VanDerWaalsContact O-CB 3.31Å; F5-F9 WeakPolarHBondContact O-CB 3.42Å; F5-F9 WeakPolarHBondContact O-CD2 3.48Å; F5-F9 PolarHBondContact O-N 2.76Å; F5-I33 HydrophobicContact CE1-CG2 4.23Å
6E59.8Low57.6Low109 Ų109113.8 Ų113.851%0.50959%0.586SS.*Hα-helixtrans-67.5-37.1177.2-78.9173.9-150.300112N3 K10N3-E6 HydrophobicContact CB-CB 4.3Å; N3-E6 HydrophobicContact CB-CG 4.11Å; N3-E6 PolarHBondContact ND2-OE1 2.92Å; N3-E6 VanDerWaalsContact ND2-OE1 3.09Å; N3-E6 WeakPolarHBondContact O-CB 3.1Å; N3-E6 PolarHBondContact O-N 3.09Å; E6-K10 VanDerWaalsContact O-CB 3.26Å; E6-K10 WeakPolarHBondContact O-CB 2.93Å; E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.12Å
7K62.8Low57.2Low158 Ų158118.1 Ų118.169%0.68760%0.599SS**Hα-helixtrans-67.4-43.9174.9-77.9-174.1175.6-178.10111.3N3 I4 K10 S11N3-K7 PolarHBondContact O-N 3.06Å; I4-K7 PolarHBondContact O-N 3.33Å; K7-K10 PolarHBondContact O-N 3.04Å; K7-S11 WeakPolarHBondContact O-CB 3.47Å; K7-S11 PolarHBondContact O-N 2.89Å
8L63.8Low57.1Low97 Ų97113.9 Ų113.951%0.50858%0.577SS.*Hα-helixtrans-62-46.8176.7-168.672000110.8I4 F5 S11 L12I4-L8 WeakPolarHBondContact O-CB 3.5Å; I4-L8 PolarHBondContact O-N 2.81Å; F5-L8 PolarHBondContact O-N 2.72Å; L8-S11 PolarHBondContact O-N 3.18Å; L8-L12 HydrophobicContact CG-CD1 4.12Å; L8-L12 WeakPolarHBondContact O-CB 3.13Å; L8-L12 WeakPolarHBondContact O-CD1 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.18Å; L8-L12 PolarHBondContact O-N 3.14Å
9F62.9Low57.1Low23 Ų23116.1 Ų116.110%0.10158%0.578CS.*Hα-helixtrans-63-44.6175.4-98.3-97.1000112F5 S11 L12 L13 I20 L37 F63F5-F9 AromaticContact CD1-CD2 3.69Å; F5-F9 HydrophobicContact CD1-CD2 3.69Å; F5-F9 AromaticContact CD1-CE2 3.65Å; F5-F9 HydrophobicContact CD1-CE2 3.65Å; F5-F9 AromaticContact CE1-CD2 3.92Å; F5-F9 HydrophobicContact CE1-CD2 3.92Å; F5-F9 AromaticContact CE1-CE2 3.37Å; F5-F9 HydrophobicContact CE1-CE2 3.37Å; F5-F9 HydrophobicContact CE1-CZ 4.36Å; F5-F9 HydrophobicContact CZ-CE2 4.29Å; F5-F9 VanDerWaalsContact O-CB 3.31Å; F5-F9 WeakPolarHBondContact O-CB 3.42Å; F5-F9 WeakPolarHBondContact O-CD2 3.48Å; F5-F9 PolarHBondContact O-N 2.76Å; F9-S11 VanDerWaalsContact C-N 3.3Å; F9-S11 PolarHBondContact O-N 2.96Å; F9-L12 CarbonylContact O-C 3.57Å; F9-L12 PolarHBondContact O-N 3.15Å; F9-L12 VanDerWaalsContact O-N 3.16Å; F9-L13 HydrophobicContact CB-CD1 4.22Å; F9-L13 WeakPolarHBondContact O-CB 3.28Å; F9-L13 VanDerWaalsContact O-CD1 3.28Å; F9-L13 WeakPolarHBondContact O-CD1 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.3Å; F9-L13 PolarHBondContact O-N 3.46Å; F9-I20 HydrophobicContact CE1-CD1 4.04Å; F9-I20 HydrophobicContact CZ-CD1 4.23Å; F9-L37 HydrophobicContact CD1-CD1 4.25Å; F9-L37 HydrophobicContact CD1-CD2 4.44Å; F9-L37 HydrophobicContact CE1-CD1 3.7Å; F9-L37 HydrophobicContact CE2-CD1 4.47Å; F9-L37 HydrophobicContact CZ-CD1 3.83Å; F9-F63 HydrophobicContact CE1-CE1 4.43Å
10K62Low57.2Low161 Ų161111.9 Ų111.970%0.756%0.557SS**Hα-helixtrans-60.8-38.5176.9-88.2-177.6174.8176.20112.7E6 K7 L12 L13E6-K10 VanDerWaalsContact O-CB 3.26Å; E6-K10 WeakPolarHBondContact O-CB 2.93Å; E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.12Å; K7-K10 PolarHBondContact O-N 3.04Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L13 PolarHBondContact O-N 3.21Å
11S63.7Low57.5Low105 Ų105109.3 Ų109.373%0.73455%0.545SS*.Hα-helixtrans-64.9-38.6175.3-172.30000111.8K7 L8 F9K7-S11 WeakPolarHBondContact O-CB 3.47Å; K7-S11 PolarHBondContact O-N 2.89Å; L8-S11 PolarHBondContact O-N 3.18Å; F9-S11 VanDerWaalsContact C-N 3.3Å; F9-S11 PolarHBondContact O-N 2.96Å
12L59.8Low58.5Low83 Ų83100.2 Ų100.244%0.43550%0.501SS..Hα-helixtrans-78.1-25.3177.7-75.1161.7000113.3L8 F9 K10 G14 M18L8-L12 HydrophobicContact CG-CD1 4.12Å; L8-L12 WeakPolarHBondContact O-CB 3.13Å; L8-L12 WeakPolarHBondContact O-CD1 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.18Å; L8-L12 PolarHBondContact O-N 3.14Å; F9-L12 CarbonylContact O-C 3.57Å; F9-L12 PolarHBondContact O-N 3.15Å; F9-L12 VanDerWaalsContact O-N 3.16Å; K10-L12 VanDerWaalsContact C-N 3.33Å; L12-G14 PolarHBondContact O-N 3.14Å; L12-M18 HydrophobicContact CB-CE 3.9Å; L12-M18 HydrophobicContact CB-SD 4.22Å; L12-M18 HydrophobicContact CD2-SD 4.14Å; L12-M18 WeakPolarHBondContact O-CE 3.48Å
13L59.8Low59.2Low47 Ų47100.9 Ų100.925%0.24649%0.49CS..  trans-7438.4-178.5-84.8160.1000114.1F9 K10 Y58 F63F9-L13 HydrophobicContact CB-CD1 4.22Å; F9-L13 WeakPolarHBondContact O-CB 3.28Å; F9-L13 VanDerWaalsContact O-CD1 3.28Å; F9-L13 WeakPolarHBondContact O-CD1 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.3Å; F9-L13 PolarHBondContact O-N 3.46Å; K10-L13 PolarHBondContact O-N 3.21Å; L13-Y58 HydrophobicContact CD2-CD1 4.2Å; L13-F63 HydrophobicContact CD2-CE2 4.2Å; L13-F63 HydrophobicContact CD2-CZ 3.52Å; L13-F63 HydrophobicContact CG-CZ 4.35Å
14G55.8Low59Low40 Ų4099 Ų9941%0.41248%0.483SS..SBendtrans-60.2156.4161.700000110.8L12 K16 N61L12-G14 PolarHBondContact O-N 3.14Å; G14-K16 PolarHBondContact O-N 3.29Å; G14-N61 PolarHBondContact O-ND2 3.27Å; G14-N61 VanDerWaalsContact O-ND2 3.15Å; G14-N61 PolarHBondContact O-OD1 3.31Å
15K54.3Low58.5Low193 Ų19398.7 Ų98.784%0.83948%0.483SS*.SBendtrans-66.269.8178.1-67.8-178.8179.3177.50111.6
16K55.3Low58.4Low168 Ų16897.1 Ų97.173%0.7348%0.479SS*.SBendtrans-148.3132.8-175.7-127.4175.7-177.7175.50109.5G14 M18 N61G14-K16 PolarHBondContact O-N 3.29Å; K16-M18 PolarHBondContact O-N 3.27Å; K16-M18 VanDerWaalsContact O-N 3.12Å; K16-N61 PolarHBondContact N-OD1 3.05Å; K16-N61 PolarHBondContact O-OD1 3.38Å
17K51.9Low57.9Low187 Ų18799.2 Ų99.281%0.81350%0.5SS*.  trans-56.7116.7169.1-68.7-175.3177-175.70108.4
18M55.2Low57.6Low42 Ų4294.8 Ų94.821%0.20749%0.493CS..  trans-135119.2-170-178171.850.600110.7L12 K16 I20 T62 F63L12-M18 HydrophobicContact CB-CE 3.9Å; L12-M18 HydrophobicContact CB-SD 4.22Å; L12-M18 HydrophobicContact CD2-SD 4.14Å; L12-M18 WeakPolarHBondContact O-CE 3.48Å; K16-M18 PolarHBondContact O-N 3.27Å; K16-M18 VanDerWaalsContact O-N 3.12Å; M18-I20 HydrophobicContact CE-CD1 3.99Å; M18-I20 HydrophobicContact CE-CG1 4.43Å; M18-I20 HydrophobicContact CG-CG1 4.16Å; M18-T62 CarbonylContact C-O 3.47Å; M18-T62 PolarHBondContact N-O 3.45Å; M18-F63 HydrophobicContact CE-CE1 3.82Å; M18-F63 HydrophobicContact CE-CZ 4.47Å
19R56.6Low57.2Low155 Ų15591.7 Ų91.759%0.58548%0.484SS*.  trans-89.1124.2176.9-56.9-178.4-147.9-176.26.7108.7A64R19-A64 HydrophobicContact CG-CB 4.49Å
20I60.3Low57.2Low33 Ų3391.6 Ų91.617%0.16948%0.484CS..  trans-116.3107.4179.4-60.3-174.1000108.9F9 M18 I22 F63 A64F9-I20 HydrophobicContact CE1-CD1 4.04Å; F9-I20 HydrophobicContact CZ-CD1 4.23Å; M18-I20 HydrophobicContact CE-CD1 3.99Å; M18-I20 HydrophobicContact CE-CG1 4.43Å; M18-I20 HydrophobicContact CG-CG1 4.16Å; I20-I22 HydrophobicContact CG2-CG1 4.02Å; I20-F63 HydrophobicContact CD1-CD1 3.6Å; I20-F63 HydrophobicContact CD1-CE1 3.67Å; I20-F63 HydrophobicContact CG1-CD1 3.95Å; I20-F63 HydrophobicContact CG1-CE1 4.38Å; I20-A64 CarbonylContact C-O 3.55Å
21L61.9Low57Low58 Ų5885.9 Ų85.930%0.30446%0.463SS..  trans-79.2118.9173-18063.9000110L23 W66 F82L21-L23 HydrophobicContact CD1-CD2 4.28Å; L21-L23 HydrophobicContact CD2-CD1 4.24Å; L21-L23 HydrophobicContact CD2-CD2 4.35Å; L21-L23 HydrophobicContact CD2-CG 4.19Å; L21-L23 HydrophobicContact CG-CD2 4.29Å; L21-L23 HydrophobicContact CG-CG 4.08Å; L21-W66 HydrophobicContact CD1-CB 3.47Å; L21-W66 VanDerWaalsContact CD1-CB 3.47Å; L21-W66 HydrophobicContact CD1-CG 3.53Å; L21-F82 HydrophobicContact CD2-CE2 3.72Å; L21-F82 HydrophobicContact CD2-CZ 3.81Å
22I61.5Low56.8Low40 Ų4084.2 Ų84.221%0.20545%0.448CS..  trans-108.298.2175.6-51.1-177.4000109.2I20 K30 V65I20-I22 HydrophobicContact CG2-CG1 4.02Å; I22-K30 HydrophobicContact CG2-CD 3.78Å; I22-K30 HydrophobicContact CG2-CG 3.91Å; I22-V65 HydrophobicContact CB-CG1 3.98Å; I22-V65 HydrophobicContact CD1-CG1 3.94Å; I22-V65 HydrophobicContact CD1-CG2 4.12Å; I22-V65 HydrophobicContact CG1-CG1 3.97Å; I22-V65 HydrophobicContact CG1-CG2 4.45Å
23L60.4Low56.9Low74 Ų7483.8 Ų83.839%0.38745%0.445SS..  trans-86.7126.5170.2-61.1171.3000108.6L21 V68 W78L21-L23 HydrophobicContact CD1-CD2 4.28Å; L21-L23 HydrophobicContact CD2-CD1 4.24Å; L21-L23 HydrophobicContact CD2-CD2 4.35Å; L21-L23 HydrophobicContact CD2-CG 4.19Å; L21-L23 HydrophobicContact CG-CD2 4.29Å; L21-L23 HydrophobicContact CG-CG 4.08Å; L23-V68 HydrophobicContact CD2-CB 4.49Å; L23-V68 HydrophobicContact CD2-CG2 4.16Å; L23-W78 HydrophobicContact CD1-CE3 4.32Å; L23-W78 HydrophobicContact CD1-CH2 4.06Å; L23-W78 HydrophobicContact CD1-CZ3 3.81Å; L23-W78 HydrophobicContact CD2-CD2 4.49Å; L23-W78 HydrophobicContact CD2-CH2 3.76Å; L23-W78 HydrophobicContact CD2-CZ2 3.7Å; L23-W78 HydrophobicContact CD2-CZ3 4.18Å; L23-W78 HydrophobicContact CG-CH2 4.46Å
24S53.5Low57Low51 Ų5182 Ų8236%0.35744%0.436SS..  trans-155.6163.9157.4100000111.3K30S24-K30 WeakPolarHBondContact O-CE 3.38Å; S24-K30 PolarHBondContact O-NZ 3.1Å; S24-K30 WeakPolarHBondContact OG-CD 3.31Å; S24-K30 WeakPolarHBondContact OG-CE 3.28Å; S24-K30 VanDerWaalsContact OG-CG 3.25Å; S24-K30 WeakPolarHBondContact OG-CG 3.5Å; S24-K30 PolarHBondContact OG-NZ 3.47Å
25L50.3Low57Low142 Ų14282 Ų8274%0.74342%0.424SS*.  trans-53.4147.3175.6-13370000111.4T27 A28 K30L25-T27 PolarHBondContact O-N 3.07Å; L25-A28 PolarHBondContact O-N 2.9Å; L25-K30 PolarHBondContact O-NZ 3.02Å
26D53.8Low57.3Low73 Ų7379 Ų7939%0.3941%0.411SS..THydrogen-bonded Turntrans-49.2140.1178.6-63.6-50.7000109.6S70D26-S70 WeakPolarHBondContact OD2-CB 3.44Å; D26-S70 PolarHBondContact OD2-OG 3.41Å
27T50.8Low57.3Low153 Ų15373.8 Ų73.894%0.93939%0.391SS*.THydrogen-bonded Turntrans74.36.3179.867.50000119.8L25 G29L25-T27 PolarHBondContact O-N 3.07Å; T27-G29 PolarHBondContact O-N 3.25Å
28A56.2Low57.4Low66 Ų6669 Ų6955%0.54537%0.37SS..SBendtrans-69.44.618000000117L25 K30L25-A28 PolarHBondContact O-N 2.9Å; A28-K30 PolarHBondContact O-N 3.22Å
29G54.8Low57.1Low32 Ų3271.9 Ų71.933%0.3339%0.386SS..  trans74.721.1179.400000115.6T27 T31 T32 I33T27-G29 PolarHBondContact O-N 3.25Å; G29-T31 VanDerWaalsContact C-N 3.27Å; G29-T31 PolarHBondContact O-N 2.85Å; G29-T32 WeakPolarHBondContact O-CB 3.31Å; G29-T32 PolarHBondContact O-N 3.45Å; G29-T32 VanDerWaalsContact O-N 3.11Å; G29-I33 PolarHBondContact O-N 2.84Å
30K62.5Low56.8Low20 Ų2067.7 Ų67.79%0.08739%0.39CS..Hα-helixtrans-51.2-45.4178.4-79.8179.8-90.6-54.30113I22 S24 L25 A28 T32 I33 L34 D67I22-K30 HydrophobicContact CG2-CD 3.78Å; I22-K30 HydrophobicContact CG2-CG 3.91Å; S24-K30 WeakPolarHBondContact O-CE 3.38Å; S24-K30 PolarHBondContact O-NZ 3.1Å; S24-K30 WeakPolarHBondContact OG-CD 3.31Å; S24-K30 WeakPolarHBondContact OG-CE 3.28Å; S24-K30 VanDerWaalsContact OG-CG 3.25Å; S24-K30 WeakPolarHBondContact OG-CG 3.5Å; S24-K30 PolarHBondContact OG-NZ 3.47Å; L25-K30 PolarHBondContact O-NZ 3.02Å; A28-K30 PolarHBondContact O-N 3.22Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 2.88Å; K30-I33 PolarHBondContact O-N 3.38Å; K30-L34 WeakPolarHBondContact O-CB 3.42Å; K30-L34 PolarHBondContact O-N 2.79Å; K30-L34 VanDerWaalsContact O-N 3.1Å; K30-D67 WeakPolarHBondContact CE-OD1 3.03Å
31T58Low55.7Low42 Ų4273 Ų7326%0.25841%0.414SS..Hα-helixtrans-68.8-32.9-176.9-10.30000111.2G29 I33 L34 Y35 A45G29-T31 VanDerWaalsContact C-N 3.27Å; G29-T31 PolarHBondContact O-N 2.85Å; T31-I33 PolarHBondContact O-N 3.06Å; T31-L34 WeakPolarHBondContact O-CB 3.26Å; T31-L34 PolarHBondContact O-N 3.16Å; T31-Y35 HydrophobicContact CG2-CD2 4.37Å; T31-Y35 HydrophobicContact CG2-CE2 4.24Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.48Å; T31-Y35 PolarHBondContact O-N 2.95Å; T31-A45 HydrophobicContact CG2-CB 3.17Å
32T60.1Low54.7Low70 Ų7074.5 Ų74.543%0.42943%0.426SS..Hα-helixtrans-63.3-41.5173.7-47.90000112.1G29 K30 L34 K36 T42G29-T32 WeakPolarHBondContact O-CB 3.31Å; G29-T32 PolarHBondContact O-N 3.45Å; G29-T32 VanDerWaalsContact O-N 3.11Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 2.88Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-K36 VanDerWaalsContact O-CB 3.32Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.11Å; T32-T42 HydrophobicContact CG2-CG2 3.8Å
33I62.6Low53.5Low73 Ų7375.2 Ų75.237%0.37443%0.432SS..Hα-helixtrans-64.4-41.2175.2-72.3171.6000110.5F5 G29 K30 T31 K36 L37F5-I33 HydrophobicContact CE1-CG2 4.23Å; G29-I33 PolarHBondContact O-N 2.84Å; K30-I33 PolarHBondContact O-N 3.38Å; T31-I33 PolarHBondContact O-N 3.06Å; I33-K36 PolarHBondContact O-N 3.04Å; I33-L37 HydrophobicContact CG2-CD1 4.09Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.24Å
34L60.4Low52.4Low10 Ų1076.9 Ų76.95%0.05245%0.447CS..Hα-helixtrans-65.5-43.2-179.5-173.5156000112.4K30 T31 T32 L37 K38 V56 V65K30-L34 WeakPolarHBondContact O-CB 3.42Å; K30-L34 PolarHBondContact O-N 2.79Å; K30-L34 VanDerWaalsContact O-N 3.1Å; T31-L34 WeakPolarHBondContact O-CB 3.26Å; T31-L34 PolarHBondContact O-N 3.16Å; T32-L34 VanDerWaalsContact C-N 3.32Å; L34-L37 WeakPolarHBondContact O-CB 3.1Å; L34-L37 PolarHBondContact O-N 3.4Å; L34-K38 PolarHBondContact O-N 3.24Å; L34-V56 HydrophobicContact CD1-CG2 4.07Å; L34-V56 HydrophobicContact CD2-CG2 3.26Å; L34-V56 HydrophobicContact CG-CG2 3.69Å; L34-V65 HydrophobicContact CD1-CB 3.35Å; L34-V65 HydrophobicContact CD1-CG1 3.58Å; L34-V65 HydrophobicContact CD1-CG2 3.39Å; L34-V65 HydrophobicContact CG-CG2 4.33Å
35Y56.9Low52Low39 Ų3975.5 Ų75.515%0.15344%0.439CS..Hα-helixtrans-67.2-39.3174.5-88.8-80.8000112.7T31 L37 K38 L39 V43 A45T31-Y35 HydrophobicContact CG2-CD2 4.37Å; T31-Y35 HydrophobicContact CG2-CE2 4.24Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.48Å; T31-Y35 PolarHBondContact O-N 2.95Å; Y35-L37 PolarHBondContact O-N 3.34Å; Y35-K38 PolarHBondContact O-N 3.44Å; Y35-K38 VanDerWaalsContact O-N 3.07Å; Y35-L39 HydrophobicContact CD1-CD1 4.27Å; Y35-L39 PolarHBondContact O-N 3.49Å; Y35-L39 VanDerWaalsContact O-N 3.09Å; Y35-V43 VanDerWaalsContact CB-O 3.28Å; Y35-V43 WeakPolarHBondContact CB-O 3.48Å; Y35-V43 HydrophobicContact CD1-CB 3.59Å; Y35-V43 HydrophobicContact CD1-CG1 4.19Å; Y35-V43 HydrophobicContact CD1-CG2 4.42Å; Y35-V43 HydrophobicContact CE1-CB 4.03Å; Y35-V43 HydrophobicContact CE1-CG1 4.12Å; Y35-V43 HydrophobicContact CG-CB 4.24Å; Y35-V43 VanDerWaalsContact CG-O 3.24Å; Y35-A45 HydrophobicContact CD2-CB 3.69Å; Y35-A45 HydrophobicContact CE2-CB 3.4Å; Y35-A45 VanDerWaalsContact CE2-CB 3.4Å
36K60.1Low51.6Low132 Ų13274.2 Ų74.257%0.57444%0.437SS*.Hα-helixtrans-59.8-33.3173.9-156.4171.9-171.7175.60111.9T32 I33 G40T32-K36 VanDerWaalsContact O-CB 3.32Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.11Å; I33-K36 PolarHBondContact O-N 3.04Å; K36-G40 PolarHBondContact O-N 3.06Å
37L56.5Low50.7Low57 Ų5776.4 Ų76.430%0.29846%0.455SS..Hα-helixtrans-76.3-37.7173-70.2168.6000112.8F9 I33 L34 Y35 Y58F9-L37 HydrophobicContact CD1-CD1 4.25Å; F9-L37 HydrophobicContact CD1-CD2 4.44Å; F9-L37 HydrophobicContact CE1-CD1 3.7Å; F9-L37 HydrophobicContact CE2-CD1 4.47Å; F9-L37 HydrophobicContact CZ-CD1 3.83Å; I33-L37 HydrophobicContact CG2-CD1 4.09Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.24Å; L34-L37 WeakPolarHBondContact O-CB 3.1Å; L34-L37 PolarHBondContact O-N 3.4Å; Y35-L37 PolarHBondContact O-N 3.34Å; L37-Y58 WeakPolarHBondContact O-CD2 3.42Å; L37-Y58 WeakPolarHBondContact O-CE2 3.36Å
38K53.8Low50.3Low87 Ų8773.4 Ų73.438%0.37844%0.437SS..Hα-helixtrans-68.1-42.1-176.6-170.2171.7-176.1176.40113.4L34 Y35 V56L34-K38 PolarHBondContact O-N 3.24Å; Y35-K38 PolarHBondContact O-N 3.44Å; Y35-K38 VanDerWaalsContact O-N 3.07Å; K38-V56 HydrophobicContact CB-CG1 3.78Å; K38-V56 HydrophobicContact CD-CG1 3.98Å; K38-V56 HydrophobicContact CG-CG1 3.73Å
39L48.5Very low49.4Very low103 Ų10377.9 Ų77.954%0.53946%0.457SS..Hα-helixtrans-120.7-10.7-166.8-69.4164000114.1Y35 E41 V43Y35-L39 HydrophobicContact CD1-CD1 4.27Å; Y35-L39 PolarHBondContact O-N 3.49Å; Y35-L39 VanDerWaalsContact O-N 3.09Å; L39-E41 PolarHBondContact O-N 3.09Å; L39-E41 VanDerWaalsContact O-N 3.14Å; L39-V43 HydrophobicContact CD1-CB 4.23Å; L39-V43 HydrophobicContact CD1-CG2 3.41Å; L39-V43 VanDerWaalsContact CD1-CG2 3.41Å
40G50.3Low49.4Very low66 Ų6678.7 Ų78.768%0.6847%0.465SS*.SBendtrans69.2-4.4-165.500000113.3K36K36-G40 PolarHBondContact O-N 3.06Å
41E37.8Very low48.8Very low144 Ų14480.9 Ų80.967%0.67348%0.475SS*.SBendtrans-123151.9175.3-76.4-167.4151.600111.4L39 V43L39-E41 PolarHBondContact O-N 3.09Å; L39-E41 VanDerWaalsContact O-N 3.14Å; E41-V43 PolarHBondContact O-N 3.4Å
42T39Very low48.5Very low90 Ų9080.1 Ų80.155%0.55247%0.471SS*.  trans-85.988.5-175.6-44.10000109.1T32T32-T42 HydrophobicContact CG2-CG2 3.8Å
43V36.8Very low48.2Very low55 Ų5579.7 Ų79.733%0.33347%0.468SS..PPolyproline II helixtrans-87.6129.1170.9-175.60000108.8Y35 L39 E41 A45Y35-V43 VanDerWaalsContact CB-O 3.28Å; Y35-V43 WeakPolarHBondContact CB-O 3.48Å; Y35-V43 HydrophobicContact CD1-CB 3.59Å; Y35-V43 HydrophobicContact CD1-CG1 4.19Å; Y35-V43 HydrophobicContact CD1-CG2 4.42Å; Y35-V43 HydrophobicContact CE1-CB 4.03Å; Y35-V43 HydrophobicContact CE1-CG1 4.12Å; Y35-V43 HydrophobicContact CG-CB 4.24Å; Y35-V43 VanDerWaalsContact CG-O 3.24Å; L39-V43 HydrophobicContact CD1-CB 4.23Å; L39-V43 HydrophobicContact CD1-CG2 3.41Å; L39-V43 VanDerWaalsContact CD1-CG2 3.41Å; E41-V43 PolarHBondContact O-N 3.4Å; V43-A45 PolarHBondContact O-N 3.08Å
44P37.5Very low47.8Very low109 Ų10978.4 Ų78.471%0.70846%0.461SS*.PPolyproline II helixtrans-67123.2178.425.5-31.3000109.6
45A46.2Very low47.4Very low23 Ų2381.8 Ų81.819%0.1948%0.482CS..PPolyproline II helixtrans-70.5137.5174.800000110.6T31 Y35 V43 P47T31-A45 HydrophobicContact CG2-CB 3.17Å; Y35-A45 HydrophobicContact CD2-CB 3.69Å; Y35-A45 HydrophobicContact CE2-CB 3.4Å; Y35-A45 VanDerWaalsContact CE2-CB 3.4Å; V43-A45 PolarHBondContact O-N 3.08Å; A45-P47 VanDerWaalsContact O-CD 3.28Å; A45-P47 WeakPolarHBondContact O-CD 3.34Å
46V41.3Very low47.3Very low114 Ų11480.2 Ų80.269%0.69148%0.476SS*.  trans-79.6113.9171.7-178.90000107.7T48V46-T48 PolarHBondContact O-N 3.35Å; V46-T48 VanDerWaalsContact O-N 3.14Å
47P35.6Very low47.1Very low120 Ų12080.5 Ų80.578%0.77948%0.48SS*.  trans-71.4110.5177.828-30.1000108.8A45A45-P47 VanDerWaalsContact O-CD 3.28Å; A45-P47 WeakPolarHBondContact O-CD 3.34Å
48T40.8Very low47.1Very low90 Ų9081.3 Ų81.355%0.55248%0.479SS*.  trans-87.8130.4167.743.20000109.9V46 G50V46-T48 PolarHBondContact O-N 3.35Å; V46-T48 VanDerWaalsContact O-N 3.14Å; T48-G50 PolarHBondContact O-N 2.99Å; T48-G50 VanDerWaalsContact O-N 3.1Å
49V38.9Very low47.5Very low160 Ų16085.1 Ų85.197%0.9750%0.495SS*.SBendtrans-62.2106.9175.3179.60000109.4
50G54Low47.8Very low48 Ų4886.5 Ų86.550%0.49550%0.504SS..SBendtrans138.2-157.5172.900000116.2T48 C52T48-G50 PolarHBondContact O-N 2.99Å; T48-G50 VanDerWaalsContact O-N 3.1Å; G50-C52 PolarHBondContact O-N 3.35Å
51F48.7Very low47.9Very low67 Ų6783.8 Ų83.829%0.29447%0.474SS..  trans-78.2107.1173.6-178.4-100.5000108.9V53 W66 V68 I74 F81F51-V53 HydrophobicContact CD1-CG2 3.7Å; F51-V53 HydrophobicContact CE1-CG2 3.29Å; F51-V53 HydrophobicContact CZ-CG2 4.17Å; F51-W66 AromaticContact CE1-CE3 3.78Å; F51-W66 HydrophobicContact CE1-CE3 3.78Å; F51-W66 AromaticContact CE1-CZ3 3.95Å; F51-W66 HydrophobicContact CE1-CZ3 3.95Å; F51-W66 HydrophobicContact CE2-CE3 4.49Å; F51-W66 AromaticContact CZ-CE3 3.48Å; F51-W66 HydrophobicContact CZ-CE3 3.48Å; F51-W66 VanDerWaalsContact CZ-CE3 3.48Å; F51-W66 AromaticContact CZ-CZ3 3.97Å; F51-W66 HydrophobicContact CZ-CZ3 3.97Å; F51-V68 HydrophobicContact CD2-CB 4.45Å; F51-V68 HydrophobicContact CD2-CG1 4.1Å; F51-V68 HydrophobicContact CD2-CG2 4.02Å; F51-V68 HydrophobicContact CE2-CG1 4.36Å; F51-V68 HydrophobicContact CE2-CG2 3.69Å; F51-I74 HydrophobicContact CB-CG2 4.32Å; F51-I74 HydrophobicContact CD2-CG2 3.8Å; F51-I74 HydrophobicContact CG-CG2 4.35Å; F51-F81 AromaticContact CE1-CE2 3.98Å; F51-F81 HydrophobicContact CE1-CE2 3.98Å; F51-F81 AromaticContact CE1-CZ 3.91Å; F51-F81 HydrophobicContact CE1-CZ 3.91Å; F51-F81 HydrophobicContact CE2-CE2 4.19Å; F51-F81 HydrophobicContact CZ-CD2 4.03Å; F51-F81 AromaticContact CZ-CE2 3.31Å; F51-F81 HydrophobicContact CZ-CE2 3.31Å; F51-F81 AromaticContact CZ-CZ 3.68Å; F51-F81 HydrophobicContact CZ-CZ 3.68Å
52C53.1Low48.7Very low25 Ų2578.8 Ų78.817%0.16945%0.453CS..EExtended strand (participates in β ladder)trans-102.6119.8-177.2-165.60000110.5G50 W66 D67G50-C52 PolarHBondContact O-N 3.35Å; C52-W66 CarbonylContact O-C 3.44Å; C52-W66 WeakPolarHBondContact O-CA 3.05Å; C52-D67 HydrophobicContact CB-CB 4.1Å; C52-D67 PolarHBondContact N-O 3.06Å; C52-D67 PolarHBondContact O-N 2.98Å
53V53.1Low49.6Very low62 Ų6275.2 Ų75.238%0.37643%0.429SS..EExtended strand (participates in β ladder)trans-105.8101.5173.3-171.40000107.8F51 W66F51-V53 HydrophobicContact CD1-CG2 3.7Å; F51-V53 HydrophobicContact CE1-CG2 3.29Å; F51-V53 HydrophobicContact CZ-CG2 4.17Å; V53-W66 HydrophobicContact CB-CE3 3.94Å; V53-W66 HydrophobicContact CB-CH2 4.4Å; V53-W66 HydrophobicContact CB-CZ3 3.8Å; V53-W66 HydrophobicContact CG1-CD2 3.99Å; V53-W66 HydrophobicContact CG1-CE3 3.56Å; V53-W66 HydrophobicContact CG1-CH2 3.37Å; V53-W66 HydrophobicContact CG1-CZ2 3.85Å; V53-W66 HydrophobicContact CG1-CZ3 3.23Å; V53-W66 HydrophobicContact CG2-CD2 4.41Å; V53-W66 HydrophobicContact CG2-CE3 3.34Å; V53-W66 HydrophobicContact CG2-CH2 4.19Å; V53-W66 HydrophobicContact CG2-CZ3 3.2Å
54E54.4Low50.5Low46 Ų4673 Ų7322%0.21542%0.417CS..EExtended strand (participates in β ladder)trans-103.4116.3173-72.6-161.5164.800109.9V65E54-V65 PolarHBondContact N-O 3.04Å; E54-V65 PolarHBondContact O-N 3.09Å
55T53Low51.5Low81 Ų8168.5 Ų68.550%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-90.8120.9168.5-55.40000108.8T62 F63T55-T62 HydrophobicContact CG2-CG2 3.38Å; T55-F63 CarbonylContact C-O 3.38Å; T55-F63 WeakPolarHBondContact CA-O 3.43Å
56V54.7Low52.2Low5 Ų569 Ų693%0.0339%0.385CS..EExtended strand (participates in β ladder)trans-111.4121.9178.8-176.80000108.6L34 K38 F63L34-V56 HydrophobicContact CD1-CG2 4.07Å; L34-V56 HydrophobicContact CD2-CG2 3.26Å; L34-V56 HydrophobicContact CG-CG2 3.69Å; K38-V56 HydrophobicContact CB-CG1 3.78Å; K38-V56 HydrophobicContact CD-CG1 3.98Å; K38-V56 HydrophobicContact CG-CG1 3.73Å; V56-F63 HydrophobicContact CB-CB 4.36Å; V56-F63 PolarHBondContact N-O 2.85Å; V56-F63 WeakPolarHBondContact O-CA 3.45Å; V56-F63 WeakPolarHBondContact O-CB 3.22Å; V56-F63 PolarHBondContact O-N 3.11Å
57E54.7Low53Low139 Ų13966.1 Ų66.165%0.6537%0.365SS*.EExtended strand (participates in β ladder)trans-92.5120.9167.7-63.1-165.715300108.8T62E57-T62 HydrophobicContact CG-CG2 4.11Å
58Y56.5Low54Low74 Ų7461 Ų6129%0.2933%0.331SS..EExtended strand (participates in β ladder)trans-127114.4173.2179.5-101.5000109.2L13 L37 N60 N61L13-Y58 HydrophobicContact CD2-CD1 4.2Å; L37-Y58 WeakPolarHBondContact O-CD2 3.42Å; L37-Y58 WeakPolarHBondContact O-CE2 3.36Å; Y58-N60 PolarHBondContact O-N 3.1Å; Y58-N61 PolarHBondContact N-O 3.49Å; Y58-N61 PolarHBondContact O-N 3.29Å; Y58-N61 VanDerWaalsContact O-N 3.16Å; Y58-N61 VanDerWaalsContact O-O 3.12Å
59K63Low54.6Low166 Ų16657.5 Ų57.572%0.72231%0.314SS*.THydrogen-bonded Turntrans55.9-126.9-171.3-56.5179.9176-179.80111N61K59-N61 VanDerWaalsContact C-N 3.31Å
60N54.3Low55.2Low133 Ų13353.2 Ų53.271%0.71129%0.291SS*.THydrogen-bonded Turntrans-90.810.5-179.9-66.47.2000113.2Y58Y58-N60 PolarHBondContact O-N 3.1Å
61N52.5Low55.2Low9 Ų957.6 Ų57.65%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-121.4128.6-173.3-64.1-36.5000110.2G14 K16 Y58 K59 F63G14-N61 PolarHBondContact O-ND2 3.27Å; G14-N61 VanDerWaalsContact O-ND2 3.15Å; G14-N61 PolarHBondContact O-OD1 3.31Å; K16-N61 PolarHBondContact N-OD1 3.05Å; K16-N61 PolarHBondContact O-OD1 3.38Å; Y58-N61 PolarHBondContact N-O 3.49Å; Y58-N61 PolarHBondContact O-N 3.29Å; Y58-N61 VanDerWaalsContact O-N 3.16Å; Y58-N61 VanDerWaalsContact O-O 3.12Å; K59-N61 VanDerWaalsContact C-N 3.31Å; N61-F63 HydrophobicContact CB-CE2 3.66Å; N61-F63 HydrophobicContact CB-CZ 3.8Å; N61-F63 WeakPolarHBondContact O-CD2 3.39Å; N61-F63 WeakPolarHBondContact O-CE2 3.39Å
62T53.8Low55.3Low38 Ų3861.6 Ų61.623%0.23332%0.316CS..EExtended strand (participates in β ladder)trans-97.1118.9176.3-49.20000109M18 T55 E57M18-T62 CarbonylContact C-O 3.47Å; M18-T62 PolarHBondContact N-O 3.45Å; T55-T62 HydrophobicContact CG2-CG2 3.38Å; E57-T62 HydrophobicContact CG-CG2 4.11Å
63F58.8Low55.4Low15 Ų1569.4 Ų69.47%0.06635%0.347CS..EExtended strand (participates in β ladder)trans-102.4130175.9-58.8-88.5000108.9F9 L13 M18 I20 T55 V56 N61F9-F63 HydrophobicContact CE1-CE1 4.43Å; L13-F63 HydrophobicContact CD2-CE2 4.2Å; L13-F63 HydrophobicContact CD2-CZ 3.52Å; L13-F63 HydrophobicContact CG-CZ 4.35Å; M18-F63 HydrophobicContact CE-CE1 3.82Å; M18-F63 HydrophobicContact CE-CZ 4.47Å; I20-F63 HydrophobicContact CD1-CD1 3.6Å; I20-F63 HydrophobicContact CD1-CE1 3.67Å; I20-F63 HydrophobicContact CG1-CD1 3.95Å; I20-F63 HydrophobicContact CG1-CE1 4.38Å; T55-F63 CarbonylContact C-O 3.38Å; T55-F63 WeakPolarHBondContact CA-O 3.43Å; V56-F63 HydrophobicContact CB-CB 4.36Å; V56-F63 PolarHBondContact N-O 2.85Å; V56-F63 WeakPolarHBondContact O-CA 3.45Å; V56-F63 WeakPolarHBondContact O-CB 3.22Å; V56-F63 PolarHBondContact O-N 3.11Å; N61-F63 HydrophobicContact CB-CE2 3.66Å; N61-F63 HydrophobicContact CB-CZ 3.8Å; N61-F63 WeakPolarHBondContact O-CD2 3.39Å; N61-F63 WeakPolarHBondContact O-CE2 3.39Å
64A55.4Low55.6Low9 Ų967.9 Ų67.97%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-110.3110.6170.500000108.1R19 I20 W66R19-A64 HydrophobicContact CG-CB 4.49Å; I20-A64 CarbonylContact C-O 3.55Å; A64-W66 HydrophobicContact CB-CZ2 4.06Å; A64-W66 VanDerWaalsContact O-CD1 3.28Å; A64-W66 PolarHBondContact O-NE1 3.32Å; A64-W66 VanDerWaalsContact O-NE1 3.11Å
65V59.3Low55.7Low14 Ų1471.8 Ų71.89%0.08535%0.349CS..EExtended strand (participates in β ladder)trans-102.6138.2177.7-177.10000109.3I22 L34 E54I22-V65 HydrophobicContact CB-CG1 3.98Å; I22-V65 HydrophobicContact CD1-CG1 3.94Å; I22-V65 HydrophobicContact CD1-CG2 4.12Å; I22-V65 HydrophobicContact CG1-CG1 3.97Å; I22-V65 HydrophobicContact CG1-CG2 4.45Å; L34-V65 HydrophobicContact CD1-CB 3.35Å; L34-V65 HydrophobicContact CD1-CG1 3.58Å; L34-V65 HydrophobicContact CD1-CG2 3.39Å; L34-V65 HydrophobicContact CG-CG2 4.33Å; E54-V65 PolarHBondContact N-O 3.04Å; E54-V65 PolarHBondContact O-N 3.09Å
66W59.9Low56.2Low35 Ų3571.7 Ų71.713%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-123.4110.9-175.4-44.371.3000107L21 F51 C52 V53 A64 V68 F81L21-W66 HydrophobicContact CD1-CB 3.47Å; L21-W66 VanDerWaalsContact CD1-CB 3.47Å; L21-W66 HydrophobicContact CD1-CG 3.53Å; F51-W66 AromaticContact CE1-CE3 3.78Å; F51-W66 HydrophobicContact CE1-CE3 3.78Å; F51-W66 AromaticContact CE1-CZ3 3.95Å; F51-W66 HydrophobicContact CE1-CZ3 3.95Å; F51-W66 HydrophobicContact CE2-CE3 4.49Å; F51-W66 AromaticContact CZ-CE3 3.48Å; F51-W66 HydrophobicContact CZ-CE3 3.48Å; F51-W66 VanDerWaalsContact CZ-CE3 3.48Å; F51-W66 AromaticContact CZ-CZ3 3.97Å; F51-W66 HydrophobicContact CZ-CZ3 3.97Å; C52-W66 CarbonylContact O-C 3.44Å; C52-W66 WeakPolarHBondContact O-CA 3.05Å; V53-W66 HydrophobicContact CB-CE3 3.94Å; V53-W66 HydrophobicContact CB-CH2 4.4Å; V53-W66 HydrophobicContact CB-CZ3 3.8Å; V53-W66 HydrophobicContact CG1-CD2 3.99Å; V53-W66 HydrophobicContact CG1-CE3 3.56Å; V53-W66 HydrophobicContact CG1-CH2 3.37Å; V53-W66 HydrophobicContact CG1-CZ2 3.85Å; V53-W66 HydrophobicContact CG1-CZ3 3.23Å; V53-W66 HydrophobicContact CG2-CD2 4.41Å; V53-W66 HydrophobicContact CG2-CE3 3.34Å; V53-W66 HydrophobicContact CG2-CH2 4.19Å; V53-W66 HydrophobicContact CG2-CZ3 3.2Å; A64-W66 HydrophobicContact CB-CZ2 4.06Å; A64-W66 VanDerWaalsContact O-CD1 3.28Å; A64-W66 PolarHBondContact O-NE1 3.32Å; A64-W66 VanDerWaalsContact O-NE1 3.11Å; W66-V68 HydrophobicContact CB-CG2 4.31Å; W66-V68 PolarHBondContact O-N 2.83Å; W66-F81 HydrophobicContact CD2-CD1 4.34Å; W66-F81 AromaticContact CE3-CD1 3.95Å; W66-F81 HydrophobicContact CE3-CD1 3.95Å; W66-F81 HydrophobicContact CE3-CD2 4.45Å; W66-F81 AromaticContact CE3-CE1 3.82Å; W66-F81 HydrophobicContact CE3-CE1 3.82Å; W66-F81 HydrophobicContact CE3-CE2 4.31Å; W66-F81 HydrophobicContact CE3-CG 4.29Å; W66-F81 AromaticContact CE3-CZ 3.99Å; W66-F81 HydrophobicContact CE3-CZ 3.99Å; W66-F81 AromaticContact CH2-CD1 3.34Å; W66-F81 HydrophobicContact CH2-CD1 3.34Å; W66-F81 AromaticContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CG 4.39Å; W66-F81 AromaticContact CH2-CZ 4Å; W66-F81 HydrophobicContact CH2-CZ 4Å; W66-F81 AromaticContact CZ2-CD1 3.75Å; W66-F81 HydrophobicContact CZ2-CD1 3.75Å; W66-F81 HydrophobicContact CZ2-CE1 4.01Å; W66-F81 AromaticContact CZ3-CD1 3.43Å; W66-F81 HydrophobicContact CZ3-CD1 3.43Å; W66-F81 VanDerWaalsContact CZ3-CD1 3.43Å; W66-F81 HydrophobicContact CZ3-CD2 4.48Å; W66-F81 AromaticContact CZ3-CE1 2.97Å; W66-F81 HydrophobicContact CZ3-CE1 2.97Å; W66-F81 HydrophobicContact CZ3-CE2 4.12Å; W66-F81 HydrophobicContact CZ3-CG 4.19Å; W66-F81 AromaticContact CZ3-CZ 3.36Å; W66-F81 HydrophobicContact CZ3-CZ 3.36Å
67D58.5Low56.5Low53 Ų5375.4 Ų75.428%0.28337%0.369SS..EExtended strand (participates in β ladder)trans-87.5107168.5-161.211.6000107.4K30 C52K30-D67 WeakPolarHBondContact CE-OD1 3.03Å; C52-D67 HydrophobicContact CB-CB 4.1Å; C52-D67 PolarHBondContact N-O 3.06Å; C52-D67 PolarHBondContact O-N 2.98Å
68V56.6Low56.8Low11 Ų1172.5 Ų72.57%0.06735%0.352CS..  trans-105.5107.9177.7-166.50000108L23 F51 W66 I74 W78L23-V68 HydrophobicContact CD2-CB 4.49Å; L23-V68 HydrophobicContact CD2-CG2 4.16Å; F51-V68 HydrophobicContact CD2-CB 4.45Å; F51-V68 HydrophobicContact CD2-CG1 4.1Å; F51-V68 HydrophobicContact CD2-CG2 4.02Å; F51-V68 HydrophobicContact CE2-CG1 4.36Å; F51-V68 HydrophobicContact CE2-CG2 3.69Å; W66-V68 HydrophobicContact CB-CG2 4.31Å; W66-V68 PolarHBondContact O-N 2.83Å; V68-I74 HydrophobicContact CG1-CB 4.07Å; V68-I74 HydrophobicContact CG1-CD1 4.31Å; V68-I74 HydrophobicContact CG1-CG2 4.28Å; V68-W78 HydrophobicContact CB-CZ2 4.03Å; V68-W78 HydrophobicContact CG1-CZ2 3.9Å
69G54.1Low56.9Low18 Ų1875.7 Ų75.719%0.18637%0.37CS..  trans-53.8144.8169.500000111H71G69-H71 PolarHBondContact O-N 2.91Å
70S51.8Low56.8Low69 Ų6973.7 Ų73.748%0.48336%0.363SS..SBendtrans-63.8-0.9-174.959.40000115.3D26 F72D26-S70 WeakPolarHBondContact OD2-CB 3.44Å; D26-S70 PolarHBondContact OD2-OG 3.41Å; S70-F72 PolarHBondContact O-N 3.37Å
71H52.5Low56.9Low140 Ų14070.1 Ų70.165%0.64834%0.341SS*.  trans-60.4125-179.6-115.4-80.5000111.8G69 K73 I74G69-H71 PolarHBondContact O-N 2.91Å; H71-K73 PolarHBondContact O-N 3.33Å; H71-I74 HydrophobicContact CB-CD1 4.15Å; H71-I74 HydrophobicContact CB-CG1 4.18Å; H71-I74 WeakPolarHBondContact O-CG1 3.25Å; H71-I74 PolarHBondContact O-N 3.49Å; H71-I74 VanDerWaalsContact O-N 3.12Å
72F51.2Low56.9Low151 Ų15175 Ų7566%0.66236%0.362SS*.G310 helixtrans-54-26.2-176.6-115.8-93.2000114.4S70 I74S70-F72 PolarHBondContact O-N 3.37Å; F72-I74 VanDerWaalsContact C-N 3.27Å; F72-I74 PolarHBondContact O-N 3.29Å
73K55.6Low57Low190 Ų19080.2 Ų80.283%0.82638%0.383SS*.G310 helixtrans-66.8-21.3-179-74.4-174175.7-1790114.3H71H71-K73 PolarHBondContact O-N 3.33Å
74I56.8Low56.4Low29 Ų2984.8 Ų84.815%0.14941%0.409CS..G310 helixtrans-98.8-6.9-172.8-19.4171.5000112.5F51 V68 H71 F72 P76 L77F51-I74 HydrophobicContact CB-CG2 4.32Å; F51-I74 HydrophobicContact CD2-CG2 3.8Å; F51-I74 HydrophobicContact CG-CG2 4.35Å; V68-I74 HydrophobicContact CG1-CB 4.07Å; V68-I74 HydrophobicContact CG1-CD1 4.31Å; V68-I74 HydrophobicContact CG1-CG2 4.28Å; H71-I74 HydrophobicContact CB-CD1 4.15Å; H71-I74 HydrophobicContact CB-CG1 4.18Å; H71-I74 WeakPolarHBondContact O-CG1 3.25Å; H71-I74 PolarHBondContact O-N 3.49Å; H71-I74 VanDerWaalsContact O-N 3.12Å; F72-I74 VanDerWaalsContact C-N 3.27Å; F72-I74 PolarHBondContact O-N 3.29Å; I74-P76 VanDerWaalsContact C-CD 3.47Å; I74-L77 HydrophobicContact CG2-CD1 3.75Å; I74-L77 WeakPolarHBondContact O-CB 3.42Å; I74-L77 PolarHBondContact O-N 3.32Å
75R57.4Low56Low128 Ų12887.5 Ų87.548%0.48343%0.425SS..G310 helixtrans-61.2-36.1179-66-175.3179.2-163.40.5114.7L77 W78R75-L77 VanDerWaalsContact C-N 3.27Å; R75-L77 PolarHBondContact O-N 3.26Å; R75-W78 WeakPolarHBondContact O-CB 3.37Å; R75-W78 PolarHBondContact O-N 3.28Å
76P64.1Low55.3Low80 Ų8097 Ų9752%0.51946%0.464SS..G310 helixtrans-64.6-31177.4-22.334.1000113.2I74 W78 Q79I74-P76 VanDerWaalsContact C-CD 3.47Å; P76-W78 PolarHBondContact O-N 3.5Å; P76-Q79 PolarHBondContact O-N 3.16Å
77L59.3Low54.5Low82 Ų8299 Ų9943%0.42950%0.496SS..G310 helixtrans-66.2-22.3178.9-80.5145.6000112.6I74 R75 Q79 H80 F81I74-L77 HydrophobicContact CG2-CD1 3.75Å; I74-L77 WeakPolarHBondContact O-CB 3.42Å; I74-L77 PolarHBondContact O-N 3.32Å; R75-L77 VanDerWaalsContact C-N 3.27Å; R75-L77 PolarHBondContact O-N 3.26Å; L77-Q79 PolarHBondContact O-N 3.26Å; L77-H80 PolarHBondContact O-N 3.31Å; L77-F81 HydrophobicContact CB-CE2 4.41Å; L77-F81 WeakPolarHBondContact O-CD2 3.37Å; L77-F81 WeakPolarHBondContact O-CE2 3.45Å
78W60.9Low53.5Low79 Ų79105.4 Ų105.430%0.29955%0.545SS..Hα-helixtrans-60.3-32.8178.3-66.112.6000112L23 V68 R75 P76 H80 F81 F82L23-W78 HydrophobicContact CD1-CE3 4.32Å; L23-W78 HydrophobicContact CD1-CH2 4.06Å; L23-W78 HydrophobicContact CD1-CZ3 3.81Å; L23-W78 HydrophobicContact CD2-CD2 4.49Å; L23-W78 HydrophobicContact CD2-CH2 3.76Å; L23-W78 HydrophobicContact CD2-CZ2 3.7Å; L23-W78 HydrophobicContact CD2-CZ3 4.18Å; L23-W78 HydrophobicContact CG-CH2 4.46Å; V68-W78 HydrophobicContact CB-CZ2 4.03Å; V68-W78 HydrophobicContact CG1-CZ2 3.9Å; R75-W78 WeakPolarHBondContact O-CB 3.37Å; R75-W78 PolarHBondContact O-N 3.28Å; P76-W78 PolarHBondContact O-N 3.5Å; W78-H80 VanDerWaalsContact C-N 3.29Å; W78-H80 PolarHBondContact O-N 2.98Å; W78-F81 PolarHBondContact O-N 2.67Å; W78-F81 VanDerWaalsContact O-N 3.09Å; W78-F82 WeakPolarHBondContact O-CD2 3.42Å; W78-F82 PolarHBondContact O-N 3.43Å; W78-F82 VanDerWaalsContact O-N 3.08Å
79Q59.3Low53.4Low141 Ų141110.1 Ų110.166%0.65957%0.569SS**Hα-helixtrans-63.2-35.2-178.1-62.9-175.4-0.900112.2P76 L77 F81 Q83P76-Q79 PolarHBondContact O-N 3.16Å; L77-Q79 PolarHBondContact O-N 3.26Å; Q79-F81 VanDerWaalsContact C-N 3.28Å; Q79-F81 PolarHBondContact O-N 2.95Å; Q79-Q83 WeakPolarHBondContact O-CG 3.45Å; Q79-Q83 PolarHBondContact O-N 3.3Å
80H61.3Low53.3Low123 Ų123114.9 Ų114.957%0.56959%0.589SS**Hα-helixtrans-69.1-25.3176.5-72.1-68.4000113.1L77 W78L77-H80 PolarHBondContact O-N 3.31Å; W78-H80 VanDerWaalsContact C-N 3.29Å; W78-H80 PolarHBondContact O-N 2.98Å
81F55.5Low53.4Low59 Ų59117.5 Ų117.526%0.25960%0.595SS.*Hα-helixtrans-86.8-32.6178.6-61.6-66.1000112.6F51 W66 L77 W78 Q79 Q83 T85F51-F81 AromaticContact CE1-CE2 3.98Å; F51-F81 HydrophobicContact CE1-CE2 3.98Å; F51-F81 AromaticContact CE1-CZ 3.91Å; F51-F81 HydrophobicContact CE1-CZ 3.91Å; F51-F81 HydrophobicContact CE2-CE2 4.19Å; F51-F81 HydrophobicContact CZ-CD2 4.03Å; F51-F81 AromaticContact CZ-CE2 3.31Å; F51-F81 HydrophobicContact CZ-CE2 3.31Å; F51-F81 AromaticContact CZ-CZ 3.68Å; F51-F81 HydrophobicContact CZ-CZ 3.68Å; W66-F81 HydrophobicContact CD2-CD1 4.34Å; W66-F81 AromaticContact CE3-CD1 3.95Å; W66-F81 HydrophobicContact CE3-CD1 3.95Å; W66-F81 HydrophobicContact CE3-CD2 4.45Å; W66-F81 AromaticContact CE3-CE1 3.82Å; W66-F81 HydrophobicContact CE3-CE1 3.82Å; W66-F81 HydrophobicContact CE3-CE2 4.31Å; W66-F81 HydrophobicContact CE3-CG 4.29Å; W66-F81 AromaticContact CE3-CZ 3.99Å; W66-F81 HydrophobicContact CE3-CZ 3.99Å; W66-F81 AromaticContact CH2-CD1 3.34Å; W66-F81 HydrophobicContact CH2-CD1 3.34Å; W66-F81 AromaticContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CG 4.39Å; W66-F81 AromaticContact CH2-CZ 4Å; W66-F81 HydrophobicContact CH2-CZ 4Å; W66-F81 AromaticContact CZ2-CD1 3.75Å; W66-F81 HydrophobicContact CZ2-CD1 3.75Å; W66-F81 HydrophobicContact CZ2-CE1 4.01Å; W66-F81 AromaticContact CZ3-CD1 3.43Å; W66-F81 HydrophobicContact CZ3-CD1 3.43Å; W66-F81 VanDerWaalsContact CZ3-CD1 3.43Å; W66-F81 HydrophobicContact CZ3-CD2 4.48Å; W66-F81 AromaticContact CZ3-CE1 2.97Å; W66-F81 HydrophobicContact CZ3-CE1 2.97Å; W66-F81 HydrophobicContact CZ3-CE2 4.12Å; W66-F81 HydrophobicContact CZ3-CG 4.19Å; W66-F81 AromaticContact CZ3-CZ 3.36Å; W66-F81 HydrophobicContact CZ3-CZ 3.36Å; L77-F81 HydrophobicContact CB-CE2 4.41Å; L77-F81 WeakPolarHBondContact O-CD2 3.37Å; L77-F81 WeakPolarHBondContact O-CE2 3.45Å; W78-F81 PolarHBondContact O-N 2.67Å; W78-F81 VanDerWaalsContact O-N 3.09Å; Q79-F81 VanDerWaalsContact C-N 3.28Å; Q79-F81 PolarHBondContact O-N 2.95Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-Q83 PolarHBondContact O-N 2.84Å; F81-T85 PolarHBondContact O-OG1 2.85Å; F81-T85 VanDerWaalsContact O-OG1 3.06Å
82F53.5Low53.5Low112 Ų112116.2 Ų116.249%0.49159%0.592SS.*Hα-helixtrans-69-29.1175.4-90.2-77.3000113.6L21 W78 N84 T85L21-F82 HydrophobicContact CD2-CE2 3.72Å; L21-F82 HydrophobicContact CD2-CZ 3.81Å; W78-F82 WeakPolarHBondContact O-CD2 3.42Å; W78-F82 PolarHBondContact O-N 3.43Å; W78-F82 VanDerWaalsContact O-N 3.08Å; F82-N84 PolarHBondContact O-N 2.97Å; F82-T85 PolarHBondContact O-N 3.12Å
83Q54.2Low53.6Low146 Ų146114 Ų11468%0.68259%0.588SS**THydrogen-bonded Turntrans-57.8-20.2-178.4-81.5176.12.100114.8Q79 F81Q79-Q83 WeakPolarHBondContact O-CG 3.45Å; Q79-Q83 PolarHBondContact O-N 3.3Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-Q83 PolarHBondContact O-N 2.84Å
84N47.8Very low53.5Low111 Ų111108.9 Ų108.959%0.59457%0.572SS**THydrogen-bonded Turntrans-111.411.6178.1-75.5-52.9000114.1F82F82-N84 PolarHBondContact O-N 2.97Å
85T45.4Very low53.2Low67 Ų67114.6 Ų114.641%0.41160%0.602SS.*  trans-105.4104.3-179-37.70000108.2F81 F82 G87F81-T85 PolarHBondContact O-OG1 2.85Å; F81-T85 VanDerWaalsContact O-OG1 3.06Å; F82-T85 PolarHBondContact O-N 3.12Å; T85-G87 PolarHBondContact O-N 2.91Å
86K44.7Very low52.9Low212 Ų212113.6 Ų113.692%0.92261%0.611SS**  trans-68.1105.8175.3-73.5-158175.9-166.20109.1
87G45Very low52Low77 Ų77116.4 Ų116.479%0.79462%0.619SS**  trans-72.2121.1161.700000108.6T85T85-G87 PolarHBondContact O-N 2.91Å
88S36.9Very low51.3Low188 Ų188119.5 Ų119.5100%1.31564%0.636SS**  trans-83.80160.5173.60000109.3

Retrieved 88 of 88 residues in 23.8 ms (Link to these results)

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