YE084_YEAST Loading...

Putative uncharacterized membrane protein YER084W-A

AlphaFold DB , UniProt , Accession A0A023PZG0, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 170 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35.3Very low34.8Very low181 Ų18198.5 Ų98.589%0.89248%0.482SS*.  0-44.40-150.8168.7177.100112.1L3 Y4M1-L3 PolarHBondContact O-N 3.12Å; M1-Y4 PolarHBondContact O-N 3.45Å
2Y28.3Very low35.6Very low146 Ų14695.8 Ų95.857%0.57347%0.471SS*.Hα-helixtrans-61.8-35.9-178.9-69.1-81.4000116.5Y4 S6 L129Y2-Y4 VanDerWaalsContact C-N 3.32Å; Y2-Y4 PolarHBondContact O-N 2.98Å; Y2-S6 PolarHBondContact O-N 3.38Å; Y2-L129 HydrophobicContact CE1-CD1 4.18Å
3L27.2Very low35.9Very low154 Ų15492.2 Ų92.281%0.80645%0.454SS*.Hα-helixtrans-64.2-33.5-179.9-80.1159.1000113.5M1 F7M1-L3 PolarHBondContact O-N 3.12Å; L3-F7 WeakPolarHBondContact O-CB 3.49Å; L3-F7 PolarHBondContact O-N 3.02Å; L3-F7 VanDerWaalsContact O-N 3.11Å
4Y31.3Very low35.8Very low166 Ų16693.6 Ų93.665%0.65146%0.464SS*.Hα-helixtrans-79.5-33-177.1-102.8-91.1000113.1M1 Y2 F7 L8M1-Y4 PolarHBondContact O-N 3.45Å; Y2-Y4 VanDerWaalsContact C-N 3.32Å; Y2-Y4 PolarHBondContact O-N 2.98Å; Y4-F7 PolarHBondContact O-N 3.25Å; Y4-L8 WeakPolarHBondContact O-CB 3.46Å; Y4-L8 PolarHBondContact O-N 2.91Å
5V32.9Very low35.8Very low64 Ų6487.4 Ų87.439%0.38843%0.433SS..Hα-helixtrans-68.4-42175.5178.90000110.1F7 L8 I9V5-F7 VanDerWaalsContact C-N 3.32Å; V5-F7 PolarHBondContact O-N 2.76Å; V5-L8 PolarHBondContact O-N 3.09Å; V5-I9 HydrophobicContact CG1-CD1 3.76Å; V5-I9 HydrophobicContact CG1-CG1 4.46Å; V5-I9 WeakPolarHBondContact O-CB 3.5Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.41Å; V5-I9 PolarHBondContact O-N 3.13Å
6S33.7Very low35.8Very low64 Ų6492.1 Ų92.145%0.44845%0.446SS..Hα-helixtrans-61.2-40.5172.8-1740000111.8Y2 N10Y2-S6 PolarHBondContact O-N 3.38Å; S6-N10 VanDerWaalsContact O-CB 3.28Å; S6-N10 WeakPolarHBondContact O-CB 3.46Å; S6-N10 PolarHBondContact O-N 2.81Å; S6-N10 PolarHBondContact O-ND2 3.49Å
7F33.9Very low35.6Very low129 Ų12995.6 Ų95.657%0.56646%0.462SS*.Hα-helixtrans-64.8-46.7175.8-162-92.5000112.3L3 Y4 V5 I9 N10 S11L3-F7 WeakPolarHBondContact O-CB 3.49Å; L3-F7 PolarHBondContact O-N 3.02Å; L3-F7 VanDerWaalsContact O-N 3.11Å; Y4-F7 PolarHBondContact O-N 3.25Å; V5-F7 VanDerWaalsContact C-N 3.32Å; V5-F7 PolarHBondContact O-N 2.76Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.42Å; F7-N10 PolarHBondContact O-N 3.09Å; F7-S11 WeakPolarHBondContact O-CB 3.36Å; F7-S11 PolarHBondContact O-N 3.14Å; F7-S11 PolarHBondContact O-OG 2.95Å
8L40.7Very low35.3Very low62 Ų6294.8 Ų94.833%0.32547%0.467SS..Hα-helixtrans-62.2-41.3179.6-155.6105.4000111.9Y4 V5 S11 L12 L47Y4-L8 WeakPolarHBondContact O-CB 3.46Å; Y4-L8 PolarHBondContact O-N 2.91Å; V5-L8 PolarHBondContact O-N 3.09Å; L8-S11 PolarHBondContact O-N 3.4Å; L8-L12 HydrophobicContact CD2-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.29Å; L8-L12 PolarHBondContact O-N 3.2Å; L8-L47 HydrophobicContact CD1-CD2 3.94Å; L8-L47 HydrophobicContact CG-CD2 4.27Å
9I42Very low35Very low13 Ų1391.3 Ų91.37%0.06745%0.452CS..Hα-helixtrans-67.6-44.9176.7-69170.7000110.5V5 F7 S11 L12 L13 F101 W127V5-I9 HydrophobicContact CG1-CD1 3.76Å; V5-I9 HydrophobicContact CG1-CG1 4.46Å; V5-I9 WeakPolarHBondContact O-CB 3.5Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.41Å; V5-I9 PolarHBondContact O-N 3.13Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.42Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 3.22Å; I9-L12 PolarHBondContact O-N 2.83Å; I9-L13 HydrophobicContact CG2-CD1 3.64Å; I9-L13 WeakPolarHBondContact O-CB 3.17Å; I9-L13 WeakPolarHBondContact O-CD1 3.21Å; I9-L13 PolarHBondContact O-N 3.47Å; I9-F101 HydrophobicContact CD1-CE1 4.41Å; I9-F101 HydrophobicContact CD1-CE2 4.39Å; I9-F101 HydrophobicContact CD1-CZ 4.23Å; I9-F101 HydrophobicContact CG1-CE1 4.27Å; I9-F101 HydrophobicContact CG1-CZ 4.15Å; I9-W127 HydrophobicContact CD1-CH2 4.42Å; I9-W127 HydrophobicContact CD1-CZ3 4.44Å; I9-W127 HydrophobicContact CG2-CH2 3.66Å; I9-W127 HydrophobicContact CG2-CZ2 3.88Å
10N38.3Very low34.8Very low84 Ų8493.4 Ų93.445%0.44948%0.477SS..Hα-helixtrans-64.9-36.1176.2-79.9-28.2000112.3S6 F7 L13 L14S6-N10 VanDerWaalsContact O-CB 3.28Å; S6-N10 WeakPolarHBondContact O-CB 3.46Å; S6-N10 PolarHBondContact O-N 2.81Å; S6-N10 PolarHBondContact O-ND2 3.49Å; F7-N10 PolarHBondContact O-N 3.09Å; N10-L13 PolarHBondContact O-N 3.29Å; N10-L14 VanDerWaalsContact O-CB 3.3Å; N10-L14 WeakPolarHBondContact O-CB 3.41Å; N10-L14 WeakPolarHBondContact O-CD1 3.07Å; N10-L14 WeakPolarHBondContact O-CG 3.49Å; N10-L14 PolarHBondContact O-N 3.39Å
11S39.7Very low34.6Very low20 Ų2092.4 Ų92.414%0.1448%0.478CS..Hα-helixtrans-68.7-41.3174.9-59.20000112.1F7 L8 I9 L13 L14 S15F7-S11 WeakPolarHBondContact O-CB 3.36Å; F7-S11 PolarHBondContact O-N 3.14Å; F7-S11 PolarHBondContact O-OG 2.95Å; L8-S11 PolarHBondContact O-N 3.4Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 3.22Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L14 PolarHBondContact O-N 3.21Å; S11-S15 VanDerWaalsContact O-CB 3.24Å; S11-S15 WeakPolarHBondContact O-CB 3.25Å; S11-S15 PolarHBondContact O-N 3.48Å; S11-S15 PolarHBondContact O-OG 3.48Å
12L43.8Very low34.5Very low66 Ų6686.6 Ų86.635%0.34645%0.448SS..Hα-helixtrans-61.5-40.6171.1-83.9160.1000111.5L8 I9 S15 Y16 W41L8-L12 HydrophobicContact CD2-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.29Å; L8-L12 PolarHBondContact O-N 3.2Å; I9-L12 PolarHBondContact O-N 2.83Å; L12-S15 VanDerWaalsContact C-OG 3.28Å; L12-S15 WeakPolarHBondContact CA-OG 3.43Å; L12-S15 PolarHBondContact O-OG 3.11Å; L12-Y16 PolarHBondContact O-N 3.4Å; L12-Y16 VanDerWaalsContact O-N 3.09Å; L12-W41 HydrophobicContact CD2-CH2 3.75Å; L12-W41 HydrophobicContact CD2-CZ2 3.65Å
13L39.8Very low34.5Very low49 Ų4985.6 Ų85.626%0.25745%0.449SS..Hα-helixtrans-69.3-42.7176.5-100.3112.7000113.3I9 N10 S11 S15 Y16 Q17 M124I9-L13 HydrophobicContact CG2-CD1 3.64Å; I9-L13 WeakPolarHBondContact O-CB 3.17Å; I9-L13 WeakPolarHBondContact O-CD1 3.21Å; I9-L13 PolarHBondContact O-N 3.47Å; N10-L13 PolarHBondContact O-N 3.29Å; S11-L13 VanDerWaalsContact C-N 3.34Å; L13-S15 VanDerWaalsContact C-N 3.29Å; L13-S15 PolarHBondContact O-N 3.28Å; L13-Y16 PolarHBondContact O-N 2.82Å; L13-Q17 PolarHBondContact O-N 3.09Å; L13-M124 HydrophobicContact CD2-CE 4.43Å; L13-M124 HydrophobicContact CD2-SD 4.01Å
14L34.3Very low34.8Very low113 Ų11383.5 Ų83.559%0.59244%0.437SS*.Hα-helixtrans-63.8-37.2176.2-86.4157.9000111.4N10 S11 Y16 Q17 S18N10-L14 VanDerWaalsContact O-CB 3.3Å; N10-L14 WeakPolarHBondContact O-CB 3.41Å; N10-L14 WeakPolarHBondContact O-CD1 3.07Å; N10-L14 WeakPolarHBondContact O-CG 3.49Å; N10-L14 PolarHBondContact O-N 3.39Å; S11-L14 PolarHBondContact O-N 3.21Å; L14-Y16 VanDerWaalsContact C-N 3.34Å; L14-Q17 PolarHBondContact O-N 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.3Å; L14-S18 PolarHBondContact O-N 3.19Å; L14-S18 VanDerWaalsContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 3.4Å
15S35.8Very low34.7Very low0 Ų078.6 Ų78.60%042%0.422CS..Hα-helixtrans-66.9-34.5174.672.90000113.3S11 L12 L13 C19 W41 M45S11-S15 VanDerWaalsContact O-CB 3.24Å; S11-S15 WeakPolarHBondContact O-CB 3.25Å; S11-S15 PolarHBondContact O-N 3.48Å; S11-S15 PolarHBondContact O-OG 3.48Å; L12-S15 VanDerWaalsContact C-OG 3.28Å; L12-S15 WeakPolarHBondContact CA-OG 3.43Å; L12-S15 PolarHBondContact O-OG 3.11Å; L13-S15 VanDerWaalsContact C-N 3.29Å; L13-S15 PolarHBondContact O-N 3.28Å; S15-C19 VanDerWaalsContact O-CB 3.29Å; S15-C19 WeakPolarHBondContact O-CB 3.18Å; S15-C19 PolarHBondContact O-N 2.8Å; S15-W41 VanDerWaalsContact CB-CZ3 3.48Å; S15-W41 VanDerWaalsContact OG-CH2 3.25Å; S15-W41 WeakPolarHBondContact OG-CH2 3.24Å; S15-W41 WeakPolarHBondContact OG-CZ3 3.33Å; S15-M45 WeakPolarHBondContact CB-SD 3.47Å
16Y35.9Very low34.5Very low163 Ų16383.8 Ų83.864%0.63944%0.435SS*.Hα-helixtrans-71.7-38.8175.4-165.7-97000112.6L12 L13 L14 F22L12-Y16 PolarHBondContact O-N 3.4Å; L12-Y16 VanDerWaalsContact O-N 3.09Å; L13-Y16 PolarHBondContact O-N 2.82Å; L14-Y16 VanDerWaalsContact C-N 3.34Å; Y16-F22 HydrophobicContact CD2-CE2 4.12Å; Y16-F22 HydrophobicContact CD2-CZ 4.3Å
17Q32.6Very low34.2Very low152 Ų15286.3 Ų86.371%0.7144%0.438SS*.Hα-helixtrans-75.3-23.2178.4-74-172-21.100113.9L13 L14L13-Q17 PolarHBondContact O-N 3.09Å; L14-Q17 PolarHBondContact O-N 3.29Å
18S30.4Very low33.7Very low81 Ų8186.7 Ų86.757%0.56644%0.441SS*.Hα-helixtrans-100.6-16.2-176.355.60000114.9L14L14-S18 WeakPolarHBondContact O-CB 3.3Å; L14-S18 PolarHBondContact O-N 3.19Å; L14-S18 VanDerWaalsContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 3.4Å
19C30Very low33.1Very low27 Ų2786.7 Ų86.718%0.18245%0.447CS..  trans-103.899.6-176.7-71.20000112.1S15 S21 F22S15-C19 VanDerWaalsContact O-CB 3.29Å; S15-C19 WeakPolarHBondContact O-CB 3.18Å; S15-C19 PolarHBondContact O-N 2.8Å; C19-S21 PolarHBondContact O-N 3.38Å; C19-F22 HydrophobicContact CB-CD2 3.89Å; C19-F22 HydrophobicContact CB-CE2 3.7Å
20S29.9Very low32.2Very low134 Ų13496.5 Ų96.594%0.93748%0.484SS*.THydrogen-bonded Turntrans-699.9156.547.60000113.4
21S30Very low31.6Very low72 Ų72103.5 Ų103.550%0.50350%0.504SS..THydrogen-bonded Turntrans-129.833.1-169.257.10000114.1C19 Q23C19-S21 PolarHBondContact O-N 3.38Å; S21-Q23 PolarHBondContact O-N 2.94Å
22F33Very low31Very low59 Ų59108.3 Ų108.326%0.25953%0.528SS..  trans-69.6116.6162.4-78.8-87.5000109.5Y16 C19 I39 W41Y16-F22 HydrophobicContact CD2-CE2 4.12Å; Y16-F22 HydrophobicContact CD2-CZ 4.3Å; C19-F22 HydrophobicContact CB-CD2 3.89Å; C19-F22 HydrophobicContact CB-CE2 3.7Å; F22-I39 HydrophobicContact CD1-CG2 3.83Å; F22-I39 HydrophobicContact CE1-CG2 4.07Å; F22-W41 HydrophobicContact CE1-CD2 4.22Å; F22-W41 AromaticContact CE1-CE3 3.8Å; F22-W41 HydrophobicContact CE1-CE3 3.8Å; F22-W41 AromaticContact CE1-CH2 3.54Å; F22-W41 HydrophobicContact CE1-CH2 3.54Å; F22-W41 AromaticContact CE1-CZ2 3.96Å; F22-W41 HydrophobicContact CE1-CZ2 3.96Å; F22-W41 AromaticContact CE1-CZ3 3.42Å; F22-W41 HydrophobicContact CE1-CZ3 3.42Å; F22-W41 VanDerWaalsContact CE1-CZ3 3.42Å; F22-W41 HydrophobicContact CE2-CZ3 4.38Å; F22-W41 AromaticContact CZ-CE3 3.94Å; F22-W41 HydrophobicContact CZ-CE3 3.94Å; F22-W41 AromaticContact CZ-CH2 3.47Å; F22-W41 HydrophobicContact CZ-CH2 3.47Å; F22-W41 VanDerWaalsContact CZ-CH2 3.47Å; F22-W41 HydrophobicContact CZ-CZ2 4.34Å; F22-W41 AromaticContact CZ-CZ3 3.2Å; F22-W41 HydrophobicContact CZ-CZ3 3.2Å
23Q29.8Very low30.2Very low126 Ų126112.2 Ų112.259%0.58955%0.545SS*.EExtended strand (participates in β ladder)trans-91.5111.2164.9-76.6-165.7-21.200109.1S21 N25S21-Q23 PolarHBondContact O-N 2.94Å; Q23-N25 PolarHBondContact O-N 2.62Å
24I32.7Very low29.5Very low110 Ų110113.2 Ų113.256%0.56455%0.55SS*.EExtended strand (participates in β ladder)trans-89.296168.1-64.7178.1000105.7R26 V37I24-R26 PolarHBondContact O-N 3.43Å; I24-V37 HydrophobicContact CG2-CB 4.49Å; I24-V37 HydrophobicContact CG2-CG1 3.59Å; I24-V37 HydrophobicContact CG2-CG2 4.14Å
25N28.8Very low29.2Very low63 Ų63111 Ų11134%0.33754%0.536SS..EExtended strand (participates in β ladder)trans-84.7111.7174.7-70.4-28.6000108.5Q23 F27 L38Q23-N25 PolarHBondContact O-N 2.62Å; N25-F27 HydrophobicContact CB-CD2 4.3Å; N25-F27 HydrophobicContact CB-CE2 3.58Å; N25-F27 HydrophobicContact CB-CZ 4.16Å; N25-F27 WeakPolarHBondContact O-CD2 3.47Å; N25-L38 PolarHBondContact N-O 3.47Å; N25-L38 PolarHBondContact O-N 3.27Å
26R28.9Very low28.8Very low173 Ų173115.1 Ų115.165%0.65356%0.555SS**EExtended strand (participates in β ladder)trans-83.8118.9177.8-129.8179.9177.7168.6-3.7108.3I24 E35 V37I24-R26 PolarHBondContact O-N 3.43Å; R26-E35 IonicContact CZ-OE2 3.42Å; R26-E35 IonicContact NE-OE2 3.09Å; R26-E35 PolarHBondContact NE-OE2 3.4Å; R26-E35 VanDerWaalsContact NE-OE2 3.09Å; R26-E35 IonicContact NH2-OE1 3.87Å; R26-E35 IonicContact NH2-OE2 2.91Å; R26-E35 PolarHBondContact NH2-OE2 3.18Å; R26-V37 HydrophobicContact CG-CG2 4.39Å
27F26.9Very low28.5Very low116 Ų116108.2 Ų108.251%0.50953%0.529SS..EExtended strand (participates in β ladder)trans-112.5116.4174.3-68.7-84.9000109.5N25 F36 L38N25-F27 HydrophobicContact CB-CD2 4.3Å; N25-F27 HydrophobicContact CB-CE2 3.58Å; N25-F27 HydrophobicContact CB-CZ 4.16Å; N25-F27 WeakPolarHBondContact O-CD2 3.47Å; F27-F36 PolarHBondContact N-O 3.19Å; F27-F36 PolarHBondContact O-N 3.42Å; F27-F36 VanDerWaalsContact O-N 3.14Å; F27-L38 HydrophobicContact CE2-CB 4.35Å
28E24.4Very low28.4Very low137 Ų137104.9 Ų104.964%0.6452%0.516SS*.EExtended strand (participates in β ladder)trans-88115.4169.6-73.3-176.6169.100109.2
29S27.1Very low28.5Very low63 Ų63103.2 Ų103.244%0.44150%0.5SS..  trans-91113169.4-179.10000110.1R31S29-R31 PolarHBondContact O-N 2.81Å
30Y24Very low28.6Very low218 Ų218105 Ų10586%0.85551%0.511SS*.THydrogen-bonded Turntrans-64.1-1.7-173.2-100.9-95.2000116.1
31R26.4Very low28.8Very low231 Ų231103.2 Ų103.287%0.87248%0.483SS*.THydrogen-bonded Turntrans-109.7-21.6-178-90.3-174-177.3-178.11.9116.4S29S29-R31 PolarHBondContact O-N 2.81Å
32N25.8Very low28.6Very low121 Ų121101.7 Ų101.765%0.64747%0.472SS*.SBendtrans-143.230.6-172.1-80.8-21.9000114.7L34N32-L34 HydrophobicContact CB-CD1 4.43Å; N32-L34 WeakPolarHBondContact O-CG 3.19Å; N32-L34 PolarHBondContact O-N 2.82Å
33H26.9Very low28.6Very low148 Ų148104.7 Ų104.769%0.68550%0.497SS*.  trans44.430.9171-74.7-62.7000116.3K62H33-K62 HydrophobicContact CB-CD 4.4Å; H33-K62 PolarHBondContact CD2-NZ 2.84Å; H33-K62 VanDerWaalsContact CG-NZ 3.29Å; H33-K62 PolarHBondContact NE2-NZ 3.36Å
34L26Very low28.5Very low70 Ų70104.3 Ų104.337%0.36650%0.503SS..  trans-106.8108.8178.4-83.4159000105.5N32 F36N32-L34 HydrophobicContact CB-CD1 4.43Å; N32-L34 WeakPolarHBondContact O-CG 3.19Å; N32-L34 PolarHBondContact O-N 2.82Å; L34-F36 HydrophobicContact CB-CD2 4.39Å; L34-F36 HydrophobicContact CB-CE2 3.62Å; L34-F36 HydrophobicContact CB-CZ 3.72Å; L34-F36 HydrophobicContact CD1-CZ 4.29Å; L34-F36 WeakPolarHBondContact O-CD2 2.97Å; L34-F36 WeakPolarHBondContact O-CE2 3.25Å
35E26.9Very low28.4Very low66 Ų66102 Ų10231%0.30849%0.491SS..EExtended strand (participates in β ladder)trans-75.7120.5168-76.1-173.6-154.600107.3R26 L60R26-E35 IonicContact CZ-OE2 3.42Å; R26-E35 IonicContact NE-OE2 3.09Å; R26-E35 PolarHBondContact NE-OE2 3.4Å; R26-E35 VanDerWaalsContact NE-OE2 3.09Å; R26-E35 IonicContact NH2-OE1 3.87Å; R26-E35 IonicContact NH2-OE2 2.91Å; R26-E35 PolarHBondContact NH2-OE2 3.18Å; E35-L60 HydrophobicContact CB-CB 4.17Å; E35-L60 HydrophobicContact CB-CD1 4.35Å; E35-L60 WeakPolarHBondContact O-CB 3.4Å
36F28.2Very low28.4Very low88 Ų88107.3 Ų107.339%0.38651%0.513SS..EExtended strand (participates in β ladder)trans-101.5126.6171.4-61.6-85000108.1F27 L34F27-F36 PolarHBondContact N-O 3.19Å; F27-F36 PolarHBondContact O-N 3.42Å; F27-F36 VanDerWaalsContact O-N 3.14Å; L34-F36 HydrophobicContact CB-CD2 4.39Å; L34-F36 HydrophobicContact CB-CE2 3.62Å; L34-F36 HydrophobicContact CB-CZ 3.72Å; L34-F36 HydrophobicContact CD1-CZ 4.29Å; L34-F36 WeakPolarHBondContact O-CD2 2.97Å; L34-F36 WeakPolarHBondContact O-CE2 3.25Å
37V30.4Very low28.3Very low18 Ų18100.4 Ų100.411%0.10949%0.49CS..EExtended strand (participates in β ladder)trans-104.8117.4169.4164.10000107.1I24 R26 I39 I58 L60I24-V37 HydrophobicContact CG2-CB 4.49Å; I24-V37 HydrophobicContact CG2-CG1 3.59Å; I24-V37 HydrophobicContact CG2-CG2 4.14Å; R26-V37 HydrophobicContact CG-CG2 4.39Å; V37-I39 HydrophobicContact CG1-CD1 4.49Å; V37-I39 HydrophobicContact CG1-CG1 3.95Å; V37-I58 HydrophobicContact CB-CD1 4.32Å; V37-I58 HydrophobicContact CB-CG2 4.23Å; V37-I58 HydrophobicContact CG1-CD1 4.1Å; V37-I58 WeakPolarHBondContact O-CB 3.24Å; V37-I58 WeakPolarHBondContact O-CD1 3.29Å; V37-L60 HydrophobicContact CB-CD1 3.91Å; V37-L60 HydrophobicContact CG2-CD1 3.34Å
38L30.6Very low28.3Very low81 Ų81104.4 Ų104.442%0.42450%0.502SS..EExtended strand (participates in β ladder)trans-97119.7172.3-17077.3000108.1N25 F27 T40N25-L38 PolarHBondContact N-O 3.47Å; N25-L38 PolarHBondContact O-N 3.27Å; F27-L38 HydrophobicContact CE2-CB 4.35Å; L38-T40 HydrophobicContact CD2-CG2 3.8Å; L38-T40 HydrophobicContact CG-CG2 4.06Å
39I32.9Very low28.4Very low46 Ų46101.7 Ų101.724%0.23649%0.491CS..EExtended strand (participates in β ladder)trans-102.9108.1173.2-57.3176.2000107.5F22 V37 I58 F74F22-I39 HydrophobicContact CD1-CG2 3.83Å; F22-I39 HydrophobicContact CE1-CG2 4.07Å; V37-I39 HydrophobicContact CG1-CD1 4.49Å; V37-I39 HydrophobicContact CG1-CG1 3.95Å; I39-I58 HydrophobicContact CD1-CD1 3.94Å; I39-I58 HydrophobicContact CG1-CD1 4.04Å; I39-F74 HydrophobicContact CD1-CE1 4.27Å
40T30.4Very low28.2Very low66 Ų66102.3 Ų102.341%0.40550%0.496SS..EExtended strand (participates in β ladder)trans-100.8134.7175.150.20000110.2L38L38-T40 HydrophobicContact CD2-CG2 3.8Å; L38-T40 HydrophobicContact CG-CG2 4.06Å
41W35.1Very low28.1Very low96 Ų96101.6 Ų101.636%0.36449%0.493SS..PPolyproline II helixtrans-92.4145177.3-62.385.7000110.5L12 S15 F22L12-W41 HydrophobicContact CD2-CH2 3.75Å; L12-W41 HydrophobicContact CD2-CZ2 3.65Å; S15-W41 VanDerWaalsContact CB-CZ3 3.48Å; S15-W41 VanDerWaalsContact OG-CH2 3.25Å; S15-W41 WeakPolarHBondContact OG-CH2 3.24Å; S15-W41 WeakPolarHBondContact OG-CZ3 3.33Å; F22-W41 HydrophobicContact CE1-CD2 4.22Å; F22-W41 AromaticContact CE1-CE3 3.8Å; F22-W41 HydrophobicContact CE1-CE3 3.8Å; F22-W41 AromaticContact CE1-CH2 3.54Å; F22-W41 HydrophobicContact CE1-CH2 3.54Å; F22-W41 AromaticContact CE1-CZ2 3.96Å; F22-W41 HydrophobicContact CE1-CZ2 3.96Å; F22-W41 AromaticContact CE1-CZ3 3.42Å; F22-W41 HydrophobicContact CE1-CZ3 3.42Å; F22-W41 VanDerWaalsContact CE1-CZ3 3.42Å; F22-W41 HydrophobicContact CE2-CZ3 4.38Å; F22-W41 AromaticContact CZ-CE3 3.94Å; F22-W41 HydrophobicContact CZ-CE3 3.94Å; F22-W41 AromaticContact CZ-CH2 3.47Å; F22-W41 HydrophobicContact CZ-CH2 3.47Å; F22-W41 VanDerWaalsContact CZ-CH2 3.47Å; F22-W41 HydrophobicContact CZ-CZ2 4.34Å; F22-W41 AromaticContact CZ-CZ3 3.2Å; F22-W41 HydrophobicContact CZ-CZ3 3.2Å
42P26.5Very low28.1Very low40 Ų4094 Ų9426%0.2647%0.466SS..PPolyproline II helixtrans-66.5146.217426.5-32.1000110.6T44 M45P42-T44 PolarHBondContact O-N 2.63Å; P42-M45 PolarHBondContact O-N 3.09Å
43P31.5Very low28.2Very low122 Ų12297.2 Ų97.279%0.79248%0.475SS*.THydrogen-bonded Turntrans-63.7-7-172.124.4-34000114.7
44T29.1Very low28.5Very low117 Ų11793.5 Ų93.572%0.71846%0.464SS*.THydrogen-bonded Turntrans-85.7-9.5179.951.50000113.8P42 H46P42-T44 PolarHBondContact O-N 2.63Å; T44-H46 VanDerWaalsContact C-N 3.28Å; T44-H46 PolarHBondContact O-N 3.2Å
45M30.5Very low28.8Very low63 Ų6397 Ų9731%0.3148%0.482SS..  trans-78.977.4170.4-85-91.2158.100110.2S15 P42 L47S15-M45 WeakPolarHBondContact CB-SD 3.47Å; P42-M45 PolarHBondContact O-N 3.09Å; M45-L47 PolarHBondContact O-N 3.09Å
46H28.5Very low29.1Very low173 Ų17395.1 Ų95.180%0.80148%0.476SS*.  trans-71.159.7158.8-72.6-80.7000109.9T44 Y48T44-H46 VanDerWaalsContact C-N 3.28Å; T44-H46 PolarHBondContact O-N 3.2Å; H46-Y48 PolarHBondContact O-N 3.18Å
47L26.8Very low29.2Very low29 Ų2994.5 Ų94.515%0.15249%0.487CS..  trans-58.8134.1147.8-124.9151.4000104.2L8 M45 I49L8-L47 HydrophobicContact CD1-CD2 3.94Å; L8-L47 HydrophobicContact CG-CD2 4.27Å; M45-L47 PolarHBondContact O-N 3.09Å; L47-I49 HydrophobicContact CB-CD1 3.96Å; L47-I49 HydrophobicContact CB-CG1 4.02Å; L47-I49 HydrophobicContact CD1-CD1 4.34Å; L47-I49 HydrophobicContact CD2-CD1 4.08Å; L47-I49 HydrophobicContact CD2-CG1 4Å; L47-I49 HydrophobicContact CG-CD1 4.35Å; L47-I49 PolarHBondContact O-N 2.62Å
48Y25.9Very low29.3Very low199 Ų19993.9 Ų93.978%0.7848%0.483SS*.SBendtrans-64.242.3175.5-112.8-95.7000112H46 S50H46-Y48 PolarHBondContact O-N 3.18Å; Y48-S50 PolarHBondContact O-N 2.99Å
49I27.3Very low29.3Very low80 Ų8093.1 Ų93.141%0.4149%0.485SS..  trans-90.842.8162.1-46.7168000106.3L47 Y51 F52L47-I49 HydrophobicContact CB-CD1 3.96Å; L47-I49 HydrophobicContact CB-CG1 4.02Å; L47-I49 HydrophobicContact CD1-CD1 4.34Å; L47-I49 HydrophobicContact CD2-CD1 4.08Å; L47-I49 HydrophobicContact CD2-CG1 4Å; L47-I49 HydrophobicContact CG-CD1 4.35Å; L47-I49 PolarHBondContact O-N 2.62Å; I49-Y51 PolarHBondContact O-N 3.19Å; I49-F52 HydrophobicContact CG2-CB 4.04Å; I49-F52 WeakPolarHBondContact CG2-O 3.36Å
50S21.9Very low29.2Very low76 Ų7692.5 Ų92.553%0.53148%0.482SS..THydrogen-bonded Turntrans-73.412176.738.30000113Y48Y48-S50 PolarHBondContact O-N 2.99Å
51Y22.6Very low28.9Very low204 Ų20491.8 Ų91.880%0.849%0.487SS*.THydrogen-bonded Turntrans-138-0.5179.1-75.6-77.7000115.7I49I49-Y51 PolarHBondContact O-N 3.19Å
52F25.6Very low28.5Very low70 Ų7093.3 Ų93.331%0.30750%0.497SS..  trans-140.4104.8-173.4-74.5-68.8000113.8I49 P54 Y79I49-F52 HydrophobicContact CG2-CB 4.04Å; I49-F52 WeakPolarHBondContact CG2-O 3.36Å; F52-P54 WeakPolarHBondContact O-CD 3.29Å; F52-Y79 HydrophobicContact CD1-CD2 4.35Å; F52-Y79 HydrophobicContact CD1-CG 4.13Å; F52-Y79 WeakPolarHBondContact CD2-O 3.13Å; F52-Y79 AromaticContact CE1-CG 3.89Å; F52-Y79 HydrophobicContact CE1-CG 3.89Å; F52-Y79 WeakPolarHBondContact CE2-O 3.49Å; F52-Y79 WeakPolarHBondContact CG-O 3.41Å
53F28.7Very low28.5Very low190 Ų19095.5 Ų95.583%0.83351%0.505SS*.  trans-56.3109.1163.4-136.2-95.1000108.4L55F53-L55 PolarHBondContact O-N 3.47Å; F53-L55 VanDerWaalsContact O-N 3.09Å
54P32.2Very low28.1Very low69 Ų6994 Ų9445%0.44850%0.497SS..  trans-80.998.5172.630.9-23000106.3F52 C56F52-P54 WeakPolarHBondContact O-CD 3.29Å; P54-C56 PolarHBondContact O-N 2.91Å
55L32.5Very low27.8Very low143 Ų14394.6 Ų94.675%0.74950%0.495SS*.  trans-65.182.5158.2-90.4155.5000107.1F53 A57F53-L55 PolarHBondContact O-N 3.47Å; F53-L55 VanDerWaalsContact O-N 3.09Å; L55-A57 PolarHBondContact O-N 3.18Å; L55-A57 VanDerWaalsContact O-N 3.11Å
56C33.7Very low27.5Very low28 Ų28100.3 Ų100.319%0.18952%0.521CS..  trans-72.793.4171-79.70000108.7P54 I58 F76P54-C56 PolarHBondContact O-N 2.91Å; C56-I58 PolarHBondContact O-N 2.64Å; C56-F76 WeakPolarHBondContact SG-CD1 3.47Å
57A30.3Very low27.3Very low74 Ų7496.1 Ų96.161%0.61253%0.525SS*.  trans-85.298165.600000108.6L55 S59L55-A57 PolarHBondContact O-N 3.18Å; L55-A57 VanDerWaalsContact O-N 3.11Å; A57-S59 PolarHBondContact O-N 3.09Å
58I33.6Very low27.4Very low6 Ų6103.4 Ų103.43%0.03156%0.556CS.*  trans-86.4105171.9-64.7168.9000107.2V37 I39 C56 L60 F74V37-I58 HydrophobicContact CB-CD1 4.32Å; V37-I58 HydrophobicContact CB-CG2 4.23Å; V37-I58 HydrophobicContact CG1-CD1 4.1Å; V37-I58 WeakPolarHBondContact O-CB 3.24Å; V37-I58 WeakPolarHBondContact O-CD1 3.29Å; I39-I58 HydrophobicContact CD1-CD1 3.94Å; I39-I58 HydrophobicContact CG1-CD1 4.04Å; C56-I58 PolarHBondContact O-N 2.64Å; I58-L60 HydrophobicContact CG2-CD1 4.04Å; I58-L60 HydrophobicContact CG2-CG 4.06Å; I58-F74 HydrophobicContact CD1-CD1 3.79Å; I58-F74 HydrophobicContact CD1-CE1 3.69Å; I58-F74 HydrophobicContact CG1-CD1 3.85Å; I58-F74 HydrophobicContact CG1-CE1 4.14Å; I58-F74 HydrophobicContact CG2-CD1 4.3Å; I58-F74 HydrophobicContact CG2-CE1 4.16Å
59S29.6Very low27.7Very low65 Ų6598.1 Ų98.146%0.45554%0.538SS..  trans-89.299168.568.10000109.2A57 G61A57-S59 PolarHBondContact O-N 3.09Å; S59-G61 PolarHBondContact O-N 3.35Å
60L30.5Very low28Very low32 Ų3297.4 Ų97.417%0.16854%0.538CS..BIsolated β-bridgetrans-79.399.7167.7-80.8144.3000108.5E35 V37 I58 K62 V72E35-L60 HydrophobicContact CB-CB 4.17Å; E35-L60 HydrophobicContact CB-CD1 4.35Å; E35-L60 WeakPolarHBondContact O-CB 3.4Å; V37-L60 HydrophobicContact CB-CD1 3.91Å; V37-L60 HydrophobicContact CG2-CD1 3.34Å; I58-L60 HydrophobicContact CG2-CD1 4.04Å; I58-L60 HydrophobicContact CG2-CG 4.06Å; L60-K62 PolarHBondContact O-N 3.32Å; L60-V72 HydrophobicContact CD2-CB 4.45Å; L60-V72 HydrophobicContact CD2-CG1 3.61Å; L60-V72 HydrophobicContact CD2-CG2 4Å; L60-V72 HydrophobicContact CG-CG1 4.4Å
61G24.3Very low29Very low51 Ų5197.4 Ų97.453%0.52653%0.532SS..  trans-64.1131167.400000109.9S59 I63S59-G61 PolarHBondContact O-N 3.35Å; G61-I63 PolarHBondContact O-N 3.47Å
62K26.1Very low29.9Very low128 Ų12888.9 Ų88.956%0.55750%0.501SS*.  trans-36.2109.3172.4-98.4174.7163.8168.60111.7H33 L60 C64H33-K62 HydrophobicContact CB-CD 4.4Å; H33-K62 PolarHBondContact CD2-NZ 2.84Å; H33-K62 VanDerWaalsContact CG-NZ 3.29Å; H33-K62 PolarHBondContact NE2-NZ 3.36Å; L60-K62 PolarHBondContact O-N 3.32Å; K62-C64 VanDerWaalsContact C-N 3.29Å; K62-C64 PolarHBondContact O-N 3.47Å
63I26.9Very low30.9Very low87 Ų8787.8 Ų87.845%0.44650%0.501SS..  trans-93.274.4156.4-56.5113.5000107.2G61 P70G61-I63 PolarHBondContact O-N 3.47Å; I63-P70 HydrophobicContact CB-CB 4.12Å; I63-P70 HydrophobicContact CD1-CB 3.27Å; I63-P70 HydrophobicContact CG1-CB 3.55Å; I63-P70 HydrophobicContact CG2-CB 4Å
64C23.3Very low31.8Very low91 Ų9180.2 Ų80.262%0.61547%0.468SS*.  trans-101.390.7160.5-69.80000107.4K62K62-C64 VanDerWaalsContact C-N 3.29Å; K62-C64 PolarHBondContact O-N 3.47Å
65N23.4Very low32.5Very low128 Ų12880.9 Ų80.968%0.68447%0.465SS*.SBend166.9119.2127.7-88.9-23.5000111.3
66Q25Very low33.4Very low183 Ų18376.5 Ų76.586%0.85544%0.44SS*.SBendtrans51.189.3140.6-56.6-171.5-6.200116.6K68Q66-K68 PolarHBondContact O-N 3.39Å
67G24.3Very low33.8Very low86 Ų8678.2 Ų78.289%0.88745%0.447SS*.SBendtrans76.913.6146.800000118.3
68K27.9Very low34.6Very low181 Ų18176.7 Ų76.779%0.78743%0.431SS*.SBendtrans-130132170.6-68.1-179.1-178.7173.60110.3Q66Q66-K68 PolarHBondContact O-N 3.39Å
69H33.3Very low34.8Very low88 Ų8881 Ų8141%0.40745%0.448SS..  trans-48.7132.6-163.5-65.3-74.3000114.4L71 R93H69-L71 PolarHBondContact O-N 2.93Å; H69-L71 VanDerWaalsContact O-N 3.13Å; H69-R93 PolarHBondContact CD2-NE 3.35Å; H69-R93 PolarHBondContact CD2-NH2 3.36Å; H69-R93 VanDerWaalsContact CE1-CG 3.41Å; H69-R93 WeakPolarHBondContact CE1-CG 3.31Å; H69-R93 PolarHBondContact CE1-NE 2.85Å; H69-R93 WeakPolarHBondContact ND1-CG 3.5Å; H69-R93 PolarHBondContact NE2-NE 3.01Å; H69-R93 PolarHBondContact NE2-NH2 2.94Å
70P33.5Very low35.2Very low65 Ų6583.4 Ų83.442%0.42245%0.45SS..  trans-72109.2175.327.7-29.9000109.1I63 V72I63-P70 HydrophobicContact CB-CB 4.12Å; I63-P70 HydrophobicContact CD1-CB 3.27Å; I63-P70 HydrophobicContact CG1-CB 3.55Å; I63-P70 HydrophobicContact CG2-CB 4Å; P70-V72 PolarHBondContact O-N 2.73Å
71L41.7Very low35.3Very low76 Ų7689.3 Ų89.340%0.39848%0.475SS..  trans-70.7110.4161.2-83.4162.4000107.6H69 P73 Y90 F92H69-L71 PolarHBondContact O-N 2.93Å; H69-L71 VanDerWaalsContact O-N 3.13Å; L71-P73 WeakPolarHBondContact O-CD 3.31Å; L71-Y90 HydrophobicContact CD2-CD1 4.43Å; L71-F92 HydrophobicContact CD1-CE1 3.75Å; L71-F92 HydrophobicContact CD1-CE2 4.27Å; L71-F92 HydrophobicContact CD1-CZ 3.51Å; L71-F92 HydrophobicContact CD2-CD1 3.73Å; L71-F92 HydrophobicContact CD2-CD2 3.36Å; L71-F92 HydrophobicContact CD2-CE1 3.48Å; L71-F92 VanDerWaalsContact CD2-CE1 3.48Å; L71-F92 HydrophobicContact CD2-CE2 3.1Å; L71-F92 HydrophobicContact CD2-CG 3.68Å; L71-F92 HydrophobicContact CD2-CZ 3.17Å; L71-F92 HydrophobicContact CG-CD1 4.25Å; L71-F92 HydrophobicContact CG-CE1 3.77Å; L71-F92 HydrophobicContact CG-CE2 4.18Å; L71-F92 HydrophobicContact CG-CZ 3.75Å
72V42.2Very low36Very low25 Ų2593.7 Ų93.715%0.15249%0.486CS..EExtended strand (participates in β ladder)trans-97.7103.7170-175.70000107.7L60 P70 F74 F91L60-V72 HydrophobicContact CD2-CB 4.45Å; L60-V72 HydrophobicContact CD2-CG1 3.61Å; L60-V72 HydrophobicContact CD2-CG2 4Å; L60-V72 HydrophobicContact CG-CG1 4.4Å; P70-V72 PolarHBondContact O-N 2.73Å; V72-F74 HydrophobicContact CB-CE2 3.96Å; V72-F74 HydrophobicContact CG1-CD2 3.92Å; V72-F74 HydrophobicContact CG1-CE2 3.38Å; V72-F74 HydrophobicContact CG1-CZ 3.76Å; V72-F91 PolarHBondContact O-N 2.78Å
73P46Very low36.6Very low47 Ų4791.2 Ų91.231%0.30548%0.476SS..EExtended strand (participates in β ladder)trans-77.7119.7170.629.9-31.4000109.4L71 Y90L71-P73 WeakPolarHBondContact O-CD 3.31Å; P73-Y90 HydrophobicContact CB-CD1 4.08Å; P73-Y90 HydrophobicContact CB-CE1 3.73Å
74F47.5Very low37.2Very low32 Ų3287.9 Ų87.914%0.1446%0.461CS..EExtended strand (participates in β ladder)trans-98132.7165.8-67.1-97.8000108.5I39 I58 V72 F76 Y88 L89 F91I39-F74 HydrophobicContact CD1-CE1 4.27Å; I58-F74 HydrophobicContact CD1-CD1 3.79Å; I58-F74 HydrophobicContact CD1-CE1 3.69Å; I58-F74 HydrophobicContact CG1-CD1 3.85Å; I58-F74 HydrophobicContact CG1-CE1 4.14Å; I58-F74 HydrophobicContact CG2-CD1 4.3Å; I58-F74 HydrophobicContact CG2-CE1 4.16Å; V72-F74 HydrophobicContact CB-CE2 3.96Å; V72-F74 HydrophobicContact CG1-CD2 3.92Å; V72-F74 HydrophobicContact CG1-CE2 3.38Å; V72-F74 HydrophobicContact CG1-CZ 3.76Å; F74-F76 HydrophobicContact CB-CD2 4.35Å; F74-F76 HydrophobicContact CB-CE2 3.52Å; F74-F76 HydrophobicContact CB-CZ 4.08Å; F74-F76 HydrophobicContact CD1-CZ 4.41Å; F74-F76 HydrophobicContact CG-CE2 4.41Å; F74-Y88 CarbonylContact O-C 3.58Å; F74-Y88 VanDerWaalsContact O-CA 3.29Å; F74-Y88 WeakPolarHBondContact O-CA 2.97Å; F74-L89 HydrophobicContact CB-CB 3.97Å; F74-L89 PolarHBondContact N-O 3.44Å; F74-L89 PolarHBondContact O-N 3.26Å; F74-F91 AromaticContact CD2-CD2 3.47Å; F74-F91 HydrophobicContact CD2-CD2 3.47Å; F74-F91 VanDerWaalsContact CD2-CD2 3.47Å; F74-F91 AromaticContact CD2-CE2 3.37Å; F74-F91 HydrophobicContact CD2-CE2 3.37Å; F74-F91 AromaticContact CE2-CD2 3.31Å; F74-F91 HydrophobicContact CE2-CD2 3.31Å; F74-F91 AromaticContact CE2-CE2 3.33Å; F74-F91 HydrophobicContact CE2-CE2 3.33Å; F74-F91 HydrophobicContact CE2-CG 4.38Å; F74-F91 HydrophobicContact CE2-CZ 4.4Å; F74-F91 HydrophobicContact CG-CE2 4.35Å; F74-F91 HydrophobicContact CZ-CE2 4.3Å
75Q46.2Very low38.4Very low82 Ų8285.1 Ų85.138%0.38344%0.438SS..EExtended strand (participates in β ladder)trans-121.7119177-168.4174.8-13.900108.5I86 I87 Y88Q75-I86 HydrophobicContact CG-CG2 3.34Å; Q75-I87 CarbonylContact C-O 3.43Å; Q75-I87 WeakPolarHBondContact CA-O 3.23Å; Q75-Y88 HydrophobicContact CB-CD1 4.31Å; Q75-Y88 HydrophobicContact CB-CE1 4.22Å; Q75-Y88 VanDerWaalsContact CD-CE1 3.48Å; Q75-Y88 HydrophobicContact CG-CD1 4.1Å; Q75-Y88 HydrophobicContact CG-CE1 3.69Å; Q75-Y88 PolarHBondContact NE2-OH 3.48Å
76F53Low39.5Very low51 Ų5180.2 Ų80.222%0.22441%0.412CS..EExtended strand (participates in β ladder)trans-108.5119.1177.8-58.1-97.8000108.4C56 F74 C78 I86 I87 L89C56-F76 WeakPolarHBondContact SG-CD1 3.47Å; F74-F76 HydrophobicContact CB-CD2 4.35Å; F74-F76 HydrophobicContact CB-CE2 3.52Å; F74-F76 HydrophobicContact CB-CZ 4.08Å; F74-F76 HydrophobicContact CD1-CZ 4.41Å; F74-F76 HydrophobicContact CG-CE2 4.41Å; F76-C78 PolarHBondContact O-N 3.47Å; F76-I86 CarbonylContact O-C 3.49Å; F76-I86 VanDerWaalsContact O-CA 3.29Å; F76-I86 WeakPolarHBondContact O-CA 3.48Å; F76-I87 HydrophobicContact CB-CB 4.2Å; F76-I87 PolarHBondContact N-O 3.09Å; F76-I87 PolarHBondContact O-N 2.85Å; F76-L89 HydrophobicContact CD2-CD1 3.88Å; F76-L89 HydrophobicContact CE2-CB 4.15Å; F76-L89 HydrophobicContact CE2-CD1 3.3Å; F76-L89 HydrophobicContact CE2-CG 4.21Å; F76-L89 HydrophobicContact CZ-CD1 4.05Å
77L42.4Very low40.8Very low64 Ų6472.6 Ų72.634%0.33538%0.377SS..EExtended strand (participates in β ladder)trans-86.3104.2167.9-168.574000107.8Y79 P84 I86 I106L77-Y79 HydrophobicContact CD2-CE2 3.57Å; L77-Y79 HydrophobicContact CG-CD2 4.42Å; L77-Y79 HydrophobicContact CG-CE2 3.78Å; L77-P84 HydrophobicContact CD1-CB 4.41Å; L77-I86 HydrophobicContact CD1-CD1 4.39Å; L77-I86 HydrophobicContact CD1-CG1 3.63Å; L77-I106 HydrophobicContact CD1-CD1 4.33Å
78C47.1Very low42Very low42 Ų4270.7 Ų70.728%0.28434%0.343SS..EExtended strand (participates in β ladder)trans-101.5153.1173.9-61.40000109F76 P84 F85F76-C78 PolarHBondContact O-N 3.47Å; C78-P84 CarbonylContact O-C 3.56Å; C78-P84 WeakPolarHBondContact O-CA 3.3Å; C78-F85 WeakPolarHBondContact CA-O 3.11Å; C78-F85 PolarHBondContact N-O 3.46Å; C78-F85 PolarHBondContact O-N 2.95Å
79Y36.8Very low43Very low97 Ų9763.1 Ų63.138%0.3831%0.311SS..EExtended strand (participates in β ladder)trans-126.4136.1171.9-74.8-103.3000107.9F52 L77 H83 P84F52-Y79 HydrophobicContact CD1-CD2 4.35Å; F52-Y79 HydrophobicContact CD1-CG 4.13Å; F52-Y79 WeakPolarHBondContact CD2-O 3.13Å; F52-Y79 AromaticContact CE1-CG 3.89Å; F52-Y79 HydrophobicContact CE1-CG 3.89Å; F52-Y79 WeakPolarHBondContact CE2-O 3.49Å; F52-Y79 WeakPolarHBondContact CG-O 3.41Å; L77-Y79 HydrophobicContact CD2-CE2 3.57Å; L77-Y79 HydrophobicContact CG-CD2 4.42Å; L77-Y79 HydrophobicContact CG-CE2 3.78Å; Y79-H83 CarbonylContact C-O 3.57Å; Y79-H83 VanDerWaalsContact CA-O 3.3Å; Y79-H83 WeakPolarHBondContact CA-O 3.33Å; Y79-P84 HydrophobicContact CD1-CB 3.66Å; Y79-P84 HydrophobicContact CD1-CG 4.01Å; Y79-P84 HydrophobicContact CE1-CB 3.43Å; Y79-P84 VanDerWaalsContact CE1-CB 3.43Å; Y79-P84 HydrophobicContact CE1-CG 3.6Å; Y79-P84 HydrophobicContact CE2-CB 4.38Å; Y79-P84 HydrophobicContact CG-CB 4.23Å
80F38.6Very low43.8Very low115 Ų11561.5 Ų61.550%0.50430%0.302SS..EExtended strand (participates in β ladder)trans-131.6117.9172.2179.4-93.8000108.9N82 H83 F85F80-N82 VanDerWaalsContact C-N 3.34Å; F80-N82 PolarHBondContact O-N 3.39Å; F80-H83 PolarHBondContact N-O 3.05Å; F80-H83 WeakPolarHBondContact O-CB 3.42Å; F80-H83 PolarHBondContact O-N 3.46Å; F80-F85 HydrophobicContact CB-CD2 4.07Å; F80-F85 HydrophobicContact CB-CE2 3.61Å
81K32.3Very low44.3Very low157 Ų15761.5 Ų61.568%0.68330%0.295SS*.THydrogen-bonded Turntrans48.351.8-176.4-62-174.6176.1-172.30112.9H83K81-H83 PolarHBondContact O-CD2 2.65Å; K81-H83 PolarHBondContact O-N 3.34Å; K81-H83 VanDerWaalsContact O-N 3.15Å
82N38.9Very low44.3Very low143 Ų14361.1 Ų61.177%0.76529%0.291SS*.THydrogen-bonded Turntrans65.64.4-177.1-58.8-15.9000116.1F80F80-N82 VanDerWaalsContact C-N 3.34Å; F80-N82 PolarHBondContact O-N 3.39Å
83H37.6Very low43.9Very low75 Ų7566.1 Ų66.135%0.34731%0.307SS..EExtended strand (participates in β ladder)trans-94.3121.1171.6-63.6-75.2000109.3Y79 F80 K81 F85 H105 S107Y79-H83 CarbonylContact C-O 3.57Å; Y79-H83 VanDerWaalsContact CA-O 3.3Å; Y79-H83 WeakPolarHBondContact CA-O 3.33Å; F80-H83 PolarHBondContact N-O 3.05Å; F80-H83 WeakPolarHBondContact O-CB 3.42Å; F80-H83 PolarHBondContact O-N 3.46Å; K81-H83 PolarHBondContact O-CD2 2.65Å; K81-H83 PolarHBondContact O-N 3.34Å; K81-H83 VanDerWaalsContact O-N 3.15Å; H83-F85 HydrophobicContact CB-CD2 4.48Å; H83-F85 HydrophobicContact CB-CE2 3.49Å; H83-F85 VanDerWaalsContact CB-CE2 3.49Å; H83-F85 HydrophobicContact CB-CZ 3.59Å; H83-F85 WeakPolarHBondContact O-CD2 3.43Å; H83-F85 WeakPolarHBondContact O-CE2 3.24Å; H83-H105 VanDerWaalsContact CB-NE2 3.32Å; H83-H105 WeakPolarHBondContact CB-NE2 3.37Å; H83-H105 AromaticContact CE1-NE2 4Å; H83-H105 AromaticContact CG-NE2 3.26Å; H83-H105 VanDerWaalsContact CG-NE2 3.26Å; H83-H105 AromaticContact ND1-CE1 3.6Å; H83-H105 AromaticContact ND1-NE2 3.13Å; H83-H105 PolarHBondContact ND1-NE2 3.39Å; H83-H105 VanDerWaalsContact ND1-NE2 3.13Å; H83-S107 PolarHBondContact ND1-OG 3.47Å
84P41.3Very low43.4Very low18 Ų1869.6 Ų69.612%0.11733%0.329CS..EExtended strand (participates in β ladder)trans-81.2135.4175.611.32.4000110.4L77 C78 Y79 I106L77-P84 HydrophobicContact CD1-CB 4.41Å; C78-P84 CarbonylContact O-C 3.56Å; C78-P84 WeakPolarHBondContact O-CA 3.3Å; Y79-P84 HydrophobicContact CD1-CB 3.66Å; Y79-P84 HydrophobicContact CD1-CG 4.01Å; Y79-P84 HydrophobicContact CE1-CB 3.43Å; Y79-P84 VanDerWaalsContact CE1-CB 3.43Å; Y79-P84 HydrophobicContact CE1-CG 3.6Å; Y79-P84 HydrophobicContact CE2-CB 4.38Å; Y79-P84 HydrophobicContact CG-CB 4.23Å; P84-I106 HydrophobicContact CB-CB 4.34Å; P84-I106 HydrophobicContact CB-CD1 3.54Å; P84-I106 HydrophobicContact CB-CG1 4.43Å; P84-I106 HydrophobicContact CG-CB 3.78Å; P84-I106 HydrophobicContact CG-CD1 3.79Å; P84-I106 HydrophobicContact CG-CG1 4.34Å; P84-I106 HydrophobicContact CG-CG2 4.01Å; P84-I106 PolarHBondContact O-N 3.15Å
85F47.5Very low42.7Very low32 Ų3269.9 Ų69.914%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-126.4126.2177.2-54.2-91.3000109.2C78 F80 H83 F104 H105C78-F85 WeakPolarHBondContact CA-O 3.11Å; C78-F85 PolarHBondContact N-O 3.46Å; C78-F85 PolarHBondContact O-N 2.95Å; F80-F85 HydrophobicContact CB-CD2 4.07Å; F80-F85 HydrophobicContact CB-CE2 3.61Å; H83-F85 HydrophobicContact CB-CD2 4.48Å; H83-F85 HydrophobicContact CB-CE2 3.49Å; H83-F85 VanDerWaalsContact CB-CE2 3.49Å; H83-F85 HydrophobicContact CB-CZ 3.59Å; H83-F85 WeakPolarHBondContact O-CD2 3.43Å; H83-F85 WeakPolarHBondContact O-CE2 3.24Å; F85-F104 VanDerWaalsContact CA-O 3.29Å; F85-F104 WeakPolarHBondContact CA-O 3.37Å; F85-H105 HydrophobicContact CE1-CB 4.3Å; F85-H105 AromaticContact CE1-CD2 3.23Å; F85-H105 WeakPolarHBondContact CE1-CD2 3.17Å; F85-H105 AromaticContact CZ-CD2 3.46Å; F85-H105 VanDerWaalsContact CZ-CD2 3.46Å; F85-H105 WeakPolarHBondContact CZ-CD2 3.04Å; F85-H105 AromaticContact CZ-NE2 3.92Å
86I46Very low42.1Very low25 Ų2568.9 Ų68.913%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-93.5129.6173-62.4167.2000107.9Q75 F76 L77 Y88 T103 F104 I106Q75-I86 HydrophobicContact CG-CG2 3.34Å; F76-I86 CarbonylContact O-C 3.49Å; F76-I86 VanDerWaalsContact O-CA 3.29Å; F76-I86 WeakPolarHBondContact O-CA 3.48Å; L77-I86 HydrophobicContact CD1-CD1 4.39Å; L77-I86 HydrophobicContact CD1-CG1 3.63Å; I86-Y88 HydrophobicContact CB-CE2 4.34Å; I86-Y88 HydrophobicContact CG2-CD2 3.99Å; I86-Y88 HydrophobicContact CG2-CE1 4.3Å; I86-Y88 HydrophobicContact CG2-CE2 3.48Å; I86-Y88 VanDerWaalsContact CG2-CE2 3.48Å; I86-T103 VanDerWaalsContact O-CA 3.31Å; I86-T103 WeakPolarHBondContact O-CA 3.46Å; I86-F104 HydrophobicContact CB-CB 4.46Å; I86-F104 PolarHBondContact N-O 2.71Å; I86-F104 PolarHBondContact O-N 3.24Å; I86-I106 HydrophobicContact CD1-CD1 4.31Å; I86-I106 HydrophobicContact CG1-CD1 4.46Å
87I52Low41.6Very low24 Ų2470 Ų7012%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-107.6121.7169.7-60.7170.8000107.7Q75 F76 L89 F101 T103Q75-I87 CarbonylContact C-O 3.43Å; Q75-I87 WeakPolarHBondContact CA-O 3.23Å; F76-I87 HydrophobicContact CB-CB 4.2Å; F76-I87 PolarHBondContact N-O 3.09Å; F76-I87 PolarHBondContact O-N 2.85Å; I87-L89 HydrophobicContact CG2-CD1 4.41Å; I87-L89 HydrophobicContact CG2-CG 4.3Å; I87-F101 HydrophobicContact CG2-CD1 3.57Å; I87-F101 HydrophobicContact CG2-CE1 4.13Å; I87-T103 HydrophobicContact CG1-CG2 4.26Å
88Y49.5Very low41.5Very low46 Ų4668.3 Ų68.318%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-89.4144.9166.3-63.7-86.7000110.2F74 Q75 I86 Y90 I100 R102 F104F74-Y88 CarbonylContact O-C 3.58Å; F74-Y88 VanDerWaalsContact O-CA 3.29Å; F74-Y88 WeakPolarHBondContact O-CA 2.97Å; Q75-Y88 HydrophobicContact CB-CD1 4.31Å; Q75-Y88 HydrophobicContact CB-CE1 4.22Å; Q75-Y88 VanDerWaalsContact CD-CE1 3.48Å; Q75-Y88 HydrophobicContact CG-CD1 4.1Å; Q75-Y88 HydrophobicContact CG-CE1 3.69Å; Q75-Y88 PolarHBondContact NE2-OH 3.48Å; I86-Y88 HydrophobicContact CB-CE2 4.34Å; I86-Y88 HydrophobicContact CG2-CD2 3.99Å; I86-Y88 HydrophobicContact CG2-CE1 4.3Å; I86-Y88 HydrophobicContact CG2-CE2 3.48Å; I86-Y88 VanDerWaalsContact CG2-CE2 3.48Å; Y88-Y90 HydrophobicContact CG-CE2 4.33Å; Y88-I100 CarbonylContact C-O 3.54Å; Y88-I100 CarbonylContact O-C 3.47Å; Y88-R102 HydrophobicContact CD2-CB 4.15Å; Y88-F104 HydrophobicContact CD2-CD2 4.5Å; Y88-F104 AromaticContact CE2-CD2 3.87Å; Y88-F104 HydrophobicContact CE2-CD2 3.87Å; Y88-F104 AromaticContact CE2-CE2 3.9Å; Y88-F104 HydrophobicContact CE2-CE2 3.9Å
89L50.4Low41.4Very low22 Ų2268.4 Ų68.412%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-138120173.2-87.9161.4000107.1F74 F76 I87 F99 F101F74-L89 HydrophobicContact CB-CB 3.97Å; F74-L89 PolarHBondContact N-O 3.44Å; F74-L89 PolarHBondContact O-N 3.26Å; F76-L89 HydrophobicContact CD2-CD1 3.88Å; F76-L89 HydrophobicContact CE2-CB 4.15Å; F76-L89 HydrophobicContact CE2-CD1 3.3Å; F76-L89 HydrophobicContact CE2-CG 4.21Å; F76-L89 HydrophobicContact CZ-CD1 4.05Å; I87-L89 HydrophobicContact CG2-CD1 4.41Å; I87-L89 HydrophobicContact CG2-CG 4.3Å; L89-F99 HydrophobicContact CD2-CB 4.03Å; L89-F99 HydrophobicContact CD2-CD1 3.48Å; L89-F99 VanDerWaalsContact CD2-CD1 3.48Å; L89-F99 HydrophobicContact CD2-CE1 4.37Å; L89-F99 HydrophobicContact CD2-CG 4.16Å; L89-F101 HydrophobicContact CD1-CE1 4.37Å; L89-F101 HydrophobicContact CD2-CD1 4.5Å; L89-F101 HydrophobicContact CD2-CE1 3.99Å; L89-F101 HydrophobicContact CD2-CE2 4.18Å; L89-F101 HydrophobicContact CD2-CZ 3.82Å; L89-F101 HydrophobicContact CG-CE1 4.34Å
90Y49.3Very low41.8Very low54 Ų5464.3 Ų64.321%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-110.6137.1-179.7-65.5-93.2000109.5L71 P73 Y88 I100L71-Y90 HydrophobicContact CD2-CD1 4.43Å; P73-Y90 HydrophobicContact CB-CD1 4.08Å; P73-Y90 HydrophobicContact CB-CE1 3.73Å; Y88-Y90 HydrophobicContact CG-CE2 4.33Å; Y90-I100 HydrophobicContact CD2-CB 4.01Å; Y90-I100 HydrophobicContact CD2-CD1 4.32Å; Y90-I100 HydrophobicContact CD2-CG2 4.49Å
91F43.3Very low42.1Very low65 Ų6560 Ų6029%0.28529%0.293SS..EExtended strand (participates in β ladder)trans-110.9118.8174.6-71-97.8000108.9V72 F74 Y97 F99V72-F91 PolarHBondContact O-N 2.78Å; F74-F91 AromaticContact CD2-CD2 3.47Å; F74-F91 HydrophobicContact CD2-CD2 3.47Å; F74-F91 VanDerWaalsContact CD2-CD2 3.47Å; F74-F91 AromaticContact CD2-CE2 3.37Å; F74-F91 HydrophobicContact CD2-CE2 3.37Å; F74-F91 AromaticContact CE2-CD2 3.31Å; F74-F91 HydrophobicContact CE2-CD2 3.31Å; F74-F91 AromaticContact CE2-CE2 3.33Å; F74-F91 HydrophobicContact CE2-CE2 3.33Å; F74-F91 HydrophobicContact CE2-CG 4.38Å; F74-F91 HydrophobicContact CE2-CZ 4.4Å; F74-F91 HydrophobicContact CG-CE2 4.35Å; F74-F91 HydrophobicContact CZ-CE2 4.3Å; F91-Y97 AromaticContact CD1-CD1 3.76Å; F91-Y97 HydrophobicContact CD1-CD1 3.76Å; F91-Y97 HydrophobicContact CD1-CE1 4.15Å; F91-Y97 HydrophobicContact CE1-CD1 4.07Å; F91-Y97 HydrophobicContact CE1-CE1 4.45Å; F91-F99 AromaticContact CE1-CE1 3.87Å; F91-F99 HydrophobicContact CE1-CE1 3.87Å; F91-F99 AromaticContact CZ-CE1 3.96Å; F91-F99 HydrophobicContact CZ-CE1 3.96Å
92F43.3Very low42.7Very low68 Ų6854.1 Ų54.130%0.29827%0.267SS..  trans-103.9-9.8-170.7-110.2-73.1000115.9L71L71-F92 HydrophobicContact CD1-CE1 3.75Å; L71-F92 HydrophobicContact CD1-CE2 4.27Å; L71-F92 HydrophobicContact CD1-CZ 3.51Å; L71-F92 HydrophobicContact CD2-CD1 3.73Å; L71-F92 HydrophobicContact CD2-CD2 3.36Å; L71-F92 HydrophobicContact CD2-CE1 3.48Å; L71-F92 VanDerWaalsContact CD2-CE1 3.48Å; L71-F92 HydrophobicContact CD2-CE2 3.1Å; L71-F92 HydrophobicContact CD2-CG 3.68Å; L71-F92 HydrophobicContact CD2-CZ 3.17Å; L71-F92 HydrophobicContact CG-CD1 4.25Å; L71-F92 HydrophobicContact CG-CE1 3.77Å; L71-F92 HydrophobicContact CG-CE2 4.18Å; L71-F92 HydrophobicContact CG-CZ 3.75Å
93R33.2Very low43Very low129 Ų12949.3 Ų49.349%0.48724%0.243SC..SBendtrans-178.4150.3171.8-107.2163.7-168.4-163.8-1.4110H69 G95 L96H69-R93 PolarHBondContact CD2-NE 3.35Å; H69-R93 PolarHBondContact CD2-NH2 3.36Å; H69-R93 VanDerWaalsContact CE1-CG 3.41Å; H69-R93 WeakPolarHBondContact CE1-CG 3.31Å; H69-R93 PolarHBondContact CE1-NE 2.85Å; H69-R93 WeakPolarHBondContact ND1-CG 3.5Å; H69-R93 PolarHBondContact NE2-NE 3.01Å; H69-R93 PolarHBondContact NE2-NH2 2.94Å; R93-G95 PolarHBondContact O-N 3.45Å; R93-G95 VanDerWaalsContact O-N 3.09Å; R93-L96 HydrophobicContact CB-CB 4.22Å; R93-L96 PolarHBondContact O-N 2.82Å
94P34.3Very low43.3Very low121 Ų12147.8 Ų47.879%0.78624%0.235SC*.THydrogen-bonded Turntrans-64113.3163.424.9-24.6000108
95G33.6Very low43.4Very low38 Ų3849.1 Ų49.139%0.39224%0.24SC..THydrogen-bonded Turntrans102.5-4.2179.700000116.9R93R93-G95 PolarHBondContact O-N 3.45Å; R93-G95 VanDerWaalsContact O-N 3.09Å
96L33.7Very low43.2Very low61 Ų6152.2 Ų52.232%0.31926%0.257SS..  trans-136.488.8170.9-87.3160.6000108.5R93 Q98 H118R93-L96 HydrophobicContact CB-CB 4.22Å; R93-L96 PolarHBondContact O-N 2.82Å; L96-Q98 PolarHBondContact O-N 2.96Å; L96-H118 WeakPolarHBondContact CD2-CE1 3.4Å; L96-H118 WeakPolarHBondContact CD2-NE2 3.28Å
97Y42.5Very low42.8Very low74 Ų7454.7 Ų54.729%0.2928%0.276SS..  trans-86.1107-179-55.9-69.2000109.7F91 F99 H117 D119F91-Y97 AromaticContact CD1-CD1 3.76Å; F91-Y97 HydrophobicContact CD1-CD1 3.76Å; F91-Y97 HydrophobicContact CD1-CE1 4.15Å; F91-Y97 HydrophobicContact CE1-CD1 4.07Å; F91-Y97 HydrophobicContact CE1-CE1 4.45Å; Y97-F99 HydrophobicContact CG-CZ 4.4Å; Y97-H117 PolarHBondContact O-ND1 2.98Å; Y97-D119 HydrophobicContact CD2-CB 4Å; Y97-D119 HydrophobicContact CG-CB 4.48Å; Y97-D119 PolarHBondContact O-N 3.07Å
98Q40.8Very low42.1Very low29 Ų2955.6 Ų55.614%0.13628%0.284CS..  trans-99.489.9169.7-79.4-170.8-3500110.7L96 I100 H117L96-Q98 PolarHBondContact O-N 2.96Å; Q98-I100 PolarHBondContact O-N 2.67Å; Q98-H117 VanDerWaalsContact CA-O 3.25Å; Q98-H117 WeakPolarHBondContact CA-O 3.3Å
99F44.9Very low41.5Very low43 Ų4359.8 Ų59.819%0.18931%0.31CS..  trans-72.4121.9171.7-54.7-66.4000108.7L89 F91 Y97 F101 F116 H117L89-F99 HydrophobicContact CD2-CB 4.03Å; L89-F99 HydrophobicContact CD2-CD1 3.48Å; L89-F99 VanDerWaalsContact CD2-CD1 3.48Å; L89-F99 HydrophobicContact CD2-CE1 4.37Å; L89-F99 HydrophobicContact CD2-CG 4.16Å; F91-F99 AromaticContact CE1-CE1 3.87Å; F91-F99 HydrophobicContact CE1-CE1 3.87Å; F91-F99 AromaticContact CZ-CE1 3.96Å; F91-F99 HydrophobicContact CZ-CE1 3.96Å; Y97-F99 HydrophobicContact CG-CZ 4.4Å; F99-F101 HydrophobicContact CB-CD2 4.08Å; F99-F101 HydrophobicContact CB-CE2 3.61Å; F99-F101 HydrophobicContact CB-CZ 4.45Å; F99-F101 HydrophobicContact CG-CE2 4.35Å; F99-F116 WeakPolarHBondContact O-CA 3.44Å; F99-H117 HydrophobicContact CB-CB 3.89Å; F99-H117 HydrophobicContact CD2-CB 3.59Å; F99-H117 AromaticContact CD2-CG 3.59Å; F99-H117 AromaticContact CD2-ND1 3.41Å; F99-H117 WeakPolarHBondContact CD2-ND1 3.05Å; F99-H117 AromaticContact CE2-ND1 3.63Å; F99-H117 HydrophobicContact CG-CB 4.21Å; F99-H117 PolarHBondContact O-N 2.99Å; F99-H117 VanDerWaalsContact O-N 3.09Å
100I44.3Very low40.8Very low11 Ų1161.7 Ų61.76%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-11589.8173.9-59.2175.9000106.4Y88 Y90 Q98 R102 I114 F115 F116Y88-I100 CarbonylContact C-O 3.54Å; Y88-I100 CarbonylContact O-C 3.47Å; Y90-I100 HydrophobicContact CD2-CB 4.01Å; Y90-I100 HydrophobicContact CD2-CD1 4.32Å; Y90-I100 HydrophobicContact CD2-CG2 4.49Å; Q98-I100 PolarHBondContact O-N 2.67Å; I100-R102 PolarHBondContact O-N 3.45Å; I100-I114 HydrophobicContact CG2-CG2 3.73Å; I100-F115 VanDerWaalsContact CA-O 3.31Å; I100-F115 WeakPolarHBondContact CA-O 3.32Å; I100-F116 HydrophobicContact CG1-CD1 4.27Å; I100-F116 HydrophobicContact CG1-CE1 4.43Å
101F45.4Very low40.1Very low24 Ų2459.6 Ų59.611%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-78.6120.5173.9-66.9-95.8000108.2I9 I87 L89 F99 I114 F115 W127I9-F101 HydrophobicContact CD1-CE1 4.41Å; I9-F101 HydrophobicContact CD1-CE2 4.39Å; I9-F101 HydrophobicContact CD1-CZ 4.23Å; I9-F101 HydrophobicContact CG1-CE1 4.27Å; I9-F101 HydrophobicContact CG1-CZ 4.15Å; I87-F101 HydrophobicContact CG2-CD1 3.57Å; I87-F101 HydrophobicContact CG2-CE1 4.13Å; L89-F101 HydrophobicContact CD1-CE1 4.37Å; L89-F101 HydrophobicContact CD2-CD1 4.5Å; L89-F101 HydrophobicContact CD2-CE1 3.99Å; L89-F101 HydrophobicContact CD2-CE2 4.18Å; L89-F101 HydrophobicContact CD2-CZ 3.82Å; L89-F101 HydrophobicContact CG-CE1 4.34Å; F99-F101 HydrophobicContact CB-CD2 4.08Å; F99-F101 HydrophobicContact CB-CE2 3.61Å; F99-F101 HydrophobicContact CB-CZ 4.45Å; F99-F101 HydrophobicContact CG-CE2 4.35Å; F101-I114 VanDerWaalsContact O-CA 3.24Å; F101-I114 WeakPolarHBondContact O-CA 3.23Å; F101-F115 HydrophobicContact CB-CB 4.11Å; F101-F115 HydrophobicContact CB-CD2 3.83Å; F101-F115 HydrophobicContact CB-CG 4.4Å; F101-F115 HydrophobicContact CD2-CB 4.08Å; F101-F115 PolarHBondContact N-O 3.48Å; F101-F115 PolarHBondContact O-N 3.42Å; F101-F115 VanDerWaalsContact O-N 3.15Å; F101-W127 HydrophobicContact CD2-CZ3 4.26Å; F101-W127 HydrophobicContact CE2-CH2 4.17Å; F101-W127 AromaticContact CE2-CZ3 3.95Å; F101-W127 HydrophobicContact CE2-CZ3 3.95Å
102R45.8Very low39.8Very low34 Ų3457.9 Ų57.913%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-125116.8172-173.6175.1-173.5-166.43.2107.9Y88 I100 F104 D168Y88-R102 HydrophobicContact CD2-CB 4.15Å; I100-R102 PolarHBondContact O-N 3.45Å; R102-F104 HydrophobicContact CG-CD2 4.12Å; R102-F104 HydrophobicContact CG-CE2 3.71Å; R102-F104 VanDerWaalsContact CZ-CZ 3.48Å; R102-F104 VanDerWaalsContact NE-CE2 3.33Å; R102-D168 IonicContact CZ-OD2 3.23Å; R102-D168 VanDerWaalsContact CZ-OD2 3.23Å; R102-D168 IonicContact NH1-OD2 2.62Å; R102-D168 PolarHBondContact NH1-OD2 2.85Å; R102-D168 IonicContact NH2-OD2 2.94Å; R102-D168 PolarHBondContact NH2-OD2 3.18Å
103T45Very low39.5Very low43 Ų4356.6 Ų56.626%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-97.1123.317750.60000111.1I86 I87 A112I86-T103 VanDerWaalsContact O-CA 3.31Å; I86-T103 WeakPolarHBondContact O-CA 3.46Å; I87-T103 HydrophobicContact CG1-CG2 4.26Å; T103-A112 PolarHBondContact O-N 3.37Å; T103-A112 PolarHBondContact OG1-O 3.29Å
104F44Very low39.7Very low43 Ų4351.2 Ų51.219%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-105.5117.1171.1-82.5-90.2000110.1F85 I86 Y88 R102 A111F85-F104 VanDerWaalsContact CA-O 3.29Å; F85-F104 WeakPolarHBondContact CA-O 3.37Å; I86-F104 HydrophobicContact CB-CB 4.46Å; I86-F104 PolarHBondContact N-O 2.71Å; I86-F104 PolarHBondContact O-N 3.24Å; Y88-F104 HydrophobicContact CD2-CD2 4.5Å; Y88-F104 AromaticContact CE2-CD2 3.87Å; Y88-F104 HydrophobicContact CE2-CD2 3.87Å; Y88-F104 AromaticContact CE2-CE2 3.9Å; Y88-F104 HydrophobicContact CE2-CE2 3.9Å; R102-F104 HydrophobicContact CG-CD2 4.12Å; R102-F104 HydrophobicContact CG-CE2 3.71Å; R102-F104 VanDerWaalsContact CZ-CZ 3.48Å; R102-F104 VanDerWaalsContact NE-CE2 3.33Å; F104-A111 HydrophobicContact CD1-CB 3.61Å; F104-A111 HydrophobicContact CE1-CB 3.49Å; F104-A111 VanDerWaalsContact CE1-CB 3.49Å; F104-A111 HydrophobicContact CG-CB 4.25Å; F104-A111 HydrophobicContact CZ-CB 4.05Å
105H43.5Very low39.9Very low45 Ų4547 Ų4721%0.20826%0.262CS..EExtended strand (participates in β ladder)trans-80.7119.6169.7-166.5-126000108.8H83 F85 S107 S108H83-H105 VanDerWaalsContact CB-NE2 3.32Å; H83-H105 WeakPolarHBondContact CB-NE2 3.37Å; H83-H105 AromaticContact CE1-NE2 4Å; H83-H105 AromaticContact CG-NE2 3.26Å; H83-H105 VanDerWaalsContact CG-NE2 3.26Å; H83-H105 AromaticContact ND1-CE1 3.6Å; H83-H105 AromaticContact ND1-NE2 3.13Å; H83-H105 PolarHBondContact ND1-NE2 3.39Å; H83-H105 VanDerWaalsContact ND1-NE2 3.13Å; F85-H105 HydrophobicContact CE1-CB 4.3Å; F85-H105 AromaticContact CE1-CD2 3.23Å; F85-H105 WeakPolarHBondContact CE1-CD2 3.17Å; F85-H105 AromaticContact CZ-CD2 3.46Å; F85-H105 VanDerWaalsContact CZ-CD2 3.46Å; F85-H105 WeakPolarHBondContact CZ-CD2 3.04Å; F85-H105 AromaticContact CZ-NE2 3.92Å; H105-S107 VanDerWaalsContact C-N 3.3Å; H105-S107 PolarHBondContact CE1-OG 2.87Å; H105-S107 PolarHBondContact ND1-OG 3.13Å; H105-S107 PolarHBondContact O-N 3.15Å; H105-S108 PolarHBondContact ND1-N 2.98Å; H105-S108 PolarHBondContact ND1-OG 3.36Å
106I41.8Very low40.1Very low98 Ų9846.9 Ų46.950%0.50325%0.251SS..THydrogen-bonded Turntrans-75.1-19.6-176.4-78.8158.1000112.8L77 P84 I86L77-I106 HydrophobicContact CD1-CD1 4.33Å; P84-I106 HydrophobicContact CB-CB 4.34Å; P84-I106 HydrophobicContact CB-CD1 3.54Å; P84-I106 HydrophobicContact CB-CG1 4.43Å; P84-I106 HydrophobicContact CG-CB 3.78Å; P84-I106 HydrophobicContact CG-CD1 3.79Å; P84-I106 HydrophobicContact CG-CG1 4.34Å; P84-I106 HydrophobicContact CG-CG2 4.01Å; P84-I106 PolarHBondContact O-N 3.15Å; I86-I106 HydrophobicContact CD1-CD1 4.31Å; I86-I106 HydrophobicContact CG1-CD1 4.46Å
107S38.2Very low40.4Very low77 Ų7744.3 Ų44.354%0.53824%0.237SC..THydrogen-bonded Turntrans-97.33-178.685.50000114.7H83 H105H83-S107 PolarHBondContact ND1-OG 3.47Å; H105-S107 VanDerWaalsContact C-N 3.3Å; H105-S107 PolarHBondContact CE1-OG 2.87Å; H105-S107 PolarHBondContact ND1-OG 3.13Å; H105-S107 PolarHBondContact O-N 3.15Å
108S37.1Very low40.3Very low42 Ų4242.9 Ų42.929%0.29423%0.233SC..SBendtrans-145.5137.1170.258.80000108.2H105 S110H105-S108 PolarHBondContact ND1-N 2.98Å; H105-S108 PolarHBondContact ND1-OG 3.36Å; S108-S110 VanDerWaalsContact CB-OG 3.29Å; S108-S110 WeakPolarHBondContact CB-OG 3.48Å; S108-S110 PolarHBondContact O-N 3.15Å; S108-S110 PolarHBondContact OG-OG 2.89Å
109N38Very low40.1Very low134 Ų13443.2 Ų43.272%0.71724%0.236SC*.SBendtrans-64.333.2175.2-75.7-9.6000113.6Y135N109-Y135 HydrophobicContact CB-CE2 4.43Å
110S34.5Very low39.8Very low62 Ų6245.2 Ų45.243%0.43425%0.251SS..  trans-114.597.2178.136.90000108.4S108S108-S110 VanDerWaalsContact CB-OG 3.29Å; S108-S110 WeakPolarHBondContact CB-OG 3.48Å; S108-S110 PolarHBondContact O-N 3.15Å; S108-S110 PolarHBondContact OG-OG 2.89Å
111A34.3Very low39.3Very low10 Ų1047.1 Ų47.18%0.08327%0.274CS..EExtended strand (participates in β ladder)trans-76.5138.4156.200000107.9F104 L134F104-A111 HydrophobicContact CD1-CB 3.61Å; F104-A111 HydrophobicContact CE1-CB 3.49Å; F104-A111 VanDerWaalsContact CE1-CB 3.49Å; F104-A111 HydrophobicContact CG-CB 4.25Å; F104-A111 HydrophobicContact CZ-CB 4.05Å; A111-L134 HydrophobicContact CB-CD1 3.24Å; A111-L134 HydrophobicContact CB-CG 4.41Å
112A37.4Very low38.7Very low29 Ų2953.6 Ų53.624%0.2431%0.31CS..EExtended strand (participates in β ladder)trans-151.8149.7171.700000111.2T103T103-A112 PolarHBondContact O-N 3.37Å; T103-A112 PolarHBondContact OG1-O 3.29Å
113H38Very low38.1Very low41 Ų4161.9 Ų61.919%0.1934%0.341CS..EExtended strand (participates in β ladder)trans79.5100.7173.1-49-76.5000114.2F115H113-F115 HydrophobicContact CB-CD2 4.15Å; H113-F115 HydrophobicContact CB-CE2 3.48Å; H113-F115 VanDerWaalsContact CB-CE2 3.48Å; H113-F115 HydrophobicContact CB-CZ 4Å
114I35.8Very low37.5Very low17 Ų1765.5 Ų65.59%0.08736%0.356CS..EExtended strand (participates in β ladder)trans-97.7114.3162.7-57172.7000106.5I100 F101 F116 A130I100-I114 HydrophobicContact CG2-CG2 3.73Å; F101-I114 VanDerWaalsContact O-CA 3.24Å; F101-I114 WeakPolarHBondContact O-CA 3.23Å; I114-F116 HydrophobicContact CB-CE2 4.18Å; I114-F116 HydrophobicContact CB-CZ 4.34Å; I114-F116 HydrophobicContact CG2-CD1 4.37Å; I114-F116 HydrophobicContact CG2-CD2 4.1Å; I114-F116 HydrophobicContact CG2-CE1 3.82Å; I114-F116 HydrophobicContact CG2-CE2 3.51Å; I114-F116 HydrophobicContact CG2-CZ 3.37Å; I114-A130 HydrophobicContact CB-CB 4.38Å; I114-A130 PolarHBondContact N-O 3.46Å; I114-A130 VanDerWaalsContact N-O 3.15Å; I114-A130 PolarHBondContact O-N 2.9Å; I114-A130 VanDerWaalsContact O-N 3.13Å
115F38.5Very low37.1Very low33 Ų3364.6 Ų64.615%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-99124171.8-62.4-94.1000108.2I100 F101 H113 W127 L129I100-F115 VanDerWaalsContact CA-O 3.31Å; I100-F115 WeakPolarHBondContact CA-O 3.32Å; F101-F115 HydrophobicContact CB-CB 4.11Å; F101-F115 HydrophobicContact CB-CD2 3.83Å; F101-F115 HydrophobicContact CB-CG 4.4Å; F101-F115 HydrophobicContact CD2-CB 4.08Å; F101-F115 PolarHBondContact N-O 3.48Å; F101-F115 PolarHBondContact O-N 3.42Å; F101-F115 VanDerWaalsContact O-N 3.15Å; H113-F115 HydrophobicContact CB-CD2 4.15Å; H113-F115 HydrophobicContact CB-CE2 3.48Å; H113-F115 VanDerWaalsContact CB-CE2 3.48Å; H113-F115 HydrophobicContact CB-CZ 4Å; F115-W127 HydrophobicContact CB-CE3 4.22Å; F115-W127 HydrophobicContact CB-CZ3 4.37Å; F115-W127 HydrophobicContact CD1-CE3 4.43Å; F115-L129 HydrophobicContact CD1-CD1 4.24Å; F115-L129 HydrophobicContact CE1-CD1 3.42Å; F115-L129 VanDerWaalsContact CE1-CD1 3.42Å; F115-L129 HydrophobicContact CZ-CD1 3.65Å
116F38.7Very low36.6Very low35 Ų3566.7 Ų66.715%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-100.7124172.4-59.5-84.9000109.1F99 I100 I114 A130 V163F99-F116 WeakPolarHBondContact O-CA 3.44Å; I100-F116 HydrophobicContact CG1-CD1 4.27Å; I100-F116 HydrophobicContact CG1-CE1 4.43Å; I114-F116 HydrophobicContact CB-CE2 4.18Å; I114-F116 HydrophobicContact CB-CZ 4.34Å; I114-F116 HydrophobicContact CG2-CD1 4.37Å; I114-F116 HydrophobicContact CG2-CD2 4.1Å; I114-F116 HydrophobicContact CG2-CE1 3.82Å; I114-F116 HydrophobicContact CG2-CE2 3.51Å; I114-F116 HydrophobicContact CG2-CZ 3.37Å; F116-A130 HydrophobicContact CE2-CB 3.99Å; F116-V163 HydrophobicContact CZ-CG1 4.42Å
117H40.7Very low36.5Very low6 Ų667 Ų673%0.02837%0.372CS..  trans-105.6145.9164.2-175.7-96.7000108.8Y97 Q98 F99 W127Y97-H117 PolarHBondContact O-ND1 2.98Å; Q98-H117 VanDerWaalsContact CA-O 3.25Å; Q98-H117 WeakPolarHBondContact CA-O 3.3Å; F99-H117 HydrophobicContact CB-CB 3.89Å; F99-H117 HydrophobicContact CD2-CB 3.59Å; F99-H117 AromaticContact CD2-CG 3.59Å; F99-H117 AromaticContact CD2-ND1 3.41Å; F99-H117 WeakPolarHBondContact CD2-ND1 3.05Å; F99-H117 AromaticContact CE2-ND1 3.63Å; F99-H117 HydrophobicContact CG-CB 4.21Å; F99-H117 PolarHBondContact O-N 2.99Å; F99-H117 VanDerWaalsContact O-N 3.09Å; H117-W127 HydrophobicContact CB-CZ3 4.41Å
118H38.9Very low36.3Very low45 Ų4566.4 Ų66.421%0.20836%0.362CS..  trans-131.7105.7171.3-174.1-71.1000107.9L96 T120L96-H118 WeakPolarHBondContact CD2-CE1 3.4Å; L96-H118 WeakPolarHBondContact CD2-NE2 3.28Å; H118-T120 WeakPolarHBondContact CE1-CG2 3.42Å; H118-T120 WeakPolarHBondContact ND1-CG2 3.49Å; H118-T120 PolarHBondContact O-N 3.47Å
119D37.2Very low36.2Very low36 Ų3667.3 Ų67.319%0.19336%0.363CS..BIsolated β-bridgetrans-89.5102.6177.1-155-8000110.4Y97 G121Y97-D119 HydrophobicContact CD2-CB 4Å; Y97-D119 HydrophobicContact CG-CB 4.48Å; Y97-D119 PolarHBondContact O-N 3.07Å; D119-G121 PolarHBondContact O-N 2.96Å
120T38.8Very low36Very low84 Ų8462.5 Ų62.552%0.51534%0.342SS..  trans-85.762.7169.343.50000110.2H118 N122 R123H118-T120 WeakPolarHBondContact CE1-CG2 3.42Å; H118-T120 WeakPolarHBondContact ND1-CG2 3.49Å; H118-T120 PolarHBondContact O-N 3.47Å; T120-N122 PolarHBondContact O-N 2.95Å; T120-R123 PolarHBondContact OG1-O 2.82Å
121G33.6Very low35.9Very low52 Ų5267.4 Ų67.454%0.53636%0.356SS..SBendtrans51.9-3163.700000120D119D119-G121 PolarHBondContact O-N 2.96Å
122N32.6Very low36Very low159 Ų15970.4 Ų70.485%0.8537%0.368SS*.SBendtrans-165.1-8.6-174.3-90.3-28.3000114.5T120T120-N122 PolarHBondContact O-N 2.95Å
123R32.8Very low35.5Very low208 Ų20872.9 Ų72.979%0.78538%0.383SS*.SBendtrans-149.4124.8174.4-68.3-171.4-179.9-177.6-1109.6T120T120-R123 PolarHBondContact OG1-O 2.82Å
124M33.2Very low35Very low119 Ų11975.3 Ų75.359%0.58640%0.397SS*.BIsolated β-bridgetrans-68.8126.8170.5-76.2-164.8-76.900109.8L13L13-M124 HydrophobicContact CD2-CE 4.43Å; L13-M124 HydrophobicContact CD2-SD 4.01Å
125G35.4Very low34.5Very low24 Ų2482.5 Ų82.525%0.24743%0.425CS..PPolyproline II helixtrans-83.8166.1172.500000112.9
126P34Very low33.9Very low90 Ų9085.1 Ų85.158%0.58445%0.447SS*.PPolyproline II helixtrans-67.7143.7-177.127.2-33.4000112.6
127W38.4Very low33.3Very low105 Ų10589 Ų8940%0.39848%0.475SS..PPolyproline II helixtrans-70.3126.3175.5-63.184.5000110.6I9 F101 F115 H117I9-W127 HydrophobicContact CD1-CH2 4.42Å; I9-W127 HydrophobicContact CD1-CZ3 4.44Å; I9-W127 HydrophobicContact CG2-CH2 3.66Å; I9-W127 HydrophobicContact CG2-CZ2 3.88Å; F101-W127 HydrophobicContact CD2-CZ3 4.26Å; F101-W127 HydrophobicContact CE2-CH2 4.17Å; F101-W127 AromaticContact CE2-CZ3 3.95Å; F101-W127 HydrophobicContact CE2-CZ3 3.95Å; F115-W127 HydrophobicContact CB-CE3 4.22Å; F115-W127 HydrophobicContact CB-CZ3 4.37Å; F115-W127 HydrophobicContact CD1-CE3 4.43Å; H117-W127 HydrophobicContact CB-CZ3 4.41Å
128I33.9Very low32.9Very low64 Ų6492 Ų9233%0.32849%0.494SS..EExtended strand (participates in β ladder)trans-105.2117.2174.8-58.4170.8000108.8A130 M158I128-A130 PolarHBondContact O-N 3.3Å; I128-M158 HydrophobicContact CD1-CE 4.31Å
129L35.7Very low32.3Very low60 Ų6098.4 Ų98.431%0.31452%0.524SS..EExtended strand (participates in β ladder)trans-81.7108174.3-172.188.8000109.2Y2 F115Y2-L129 HydrophobicContact CE1-CD1 4.18Å; F115-L129 HydrophobicContact CD1-CD1 4.24Å; F115-L129 HydrophobicContact CE1-CD1 3.42Å; F115-L129 VanDerWaalsContact CE1-CD1 3.42Å; F115-L129 HydrophobicContact CZ-CD1 3.65Å
130A33.2Very low31.8Very low34 Ų34101 Ų10128%0.28154%0.538SS..EExtended strand (participates in β ladder)trans-98.2112.6167.100000109.5I114 F116 I128I114-A130 HydrophobicContact CB-CB 4.38Å; I114-A130 PolarHBondContact N-O 3.46Å; I114-A130 VanDerWaalsContact N-O 3.15Å; I114-A130 PolarHBondContact O-N 2.9Å; I114-A130 VanDerWaalsContact O-N 3.13Å; F116-A130 HydrophobicContact CE2-CB 3.99Å; I128-A130 PolarHBondContact O-N 3.3Å
131K33.7Very low31.4Very low165 Ų165102.5 Ų102.572%0.71755%0.549SS*.  trans-90.3103.9170.1-171.5-176.9-177.7-174.70107.7
132Q35Very low31.3Very low73 Ų73108.4 Ų108.434%0.34156%0.563SS.*  trans-100.9111.1168.3-158.4170.67.600107.9
133S27.3Very low30.9Very low80 Ų80106.2 Ų106.256%0.55955%0.551SS**  trans-78.5120.8167.4530000108.2Y135S133-Y135 PolarHBondContact O-N 3.42Å
134L28.7Very low30.9Very low93 Ų93100.9 Ų100.949%0.48754%0.537SS..SBendtrans-67.412.1179.8-93.2162.3000115.4A111A111-L134 HydrophobicContact CB-CD1 3.24Å; A111-L134 HydrophobicContact CB-CG 4.41Å
135Y25Very low30.5Very low168 Ų168101 Ų10166%0.65955%0.548SS*.SBendtrans-128.572.5176.2-71.9-82.9000109.9N109 S133N109-Y135 HydrophobicContact CB-CE2 4.43Å; S133-Y135 PolarHBondContact O-N 3.42Å
136S25.2Very low30.1Very low88 Ų88106.4 Ų106.462%0.61557%0.565SS**SBendtrans-173.1117.8149.3-92.70000107.3V138S136-V138 PolarHBondContact O-N 3.46Å
137P25.9Very low29.6Very low115 Ų115106.1 Ų106.175%0.74756%0.563SS**  trans-62.4110.117125.9-29.3000107.3Q139P137-Q139 VanDerWaalsContact C-N 3.32Å; P137-Q139 PolarHBondContact O-N 3.27Å
138V31.6Very low28.9Very low71 Ų71109 Ų10943%0.4358%0.581SS.*  trans-69.696172.1177.50000106.3S136 N140S136-V138 PolarHBondContact O-N 3.46Å; V138-N140 WeakPolarHBondContact CG1-O 3.43Å; V138-N140 PolarHBondContact O-N 2.93Å
139Q27.3Very low28.5Very low178 Ų178114.5 Ų114.583%0.83261%0.606SS**  trans-74.7-10.9177.6-73.5-168.6-19.600112.5P137P137-Q139 VanDerWaalsContact C-N 3.32Å; P137-Q139 PolarHBondContact O-N 3.27Å
140N26.8Very low28.1Very low92 Ų92116 Ų11649%0.49261%0.614SS.*  trans-139.7121.6178.7-112.1-25.9000112.1V138 Q142 D143V138-N140 WeakPolarHBondContact CG1-O 3.43Å; V138-N140 PolarHBondContact O-N 2.93Å; N140-Q142 PolarHBondContact O-N 2.84Å; N140-D143 VanDerWaalsContact CB-OD2 3.28Å; N140-D143 WeakPolarHBondContact CB-OD2 3.28Å; N140-D143 PolarHBondContact O-N 2.95Å
141P30.8Very low27.6Very low114 Ų114121.3 Ų121.374%0.7463%0.632SS**THydrogen-bonded Turntrans-65.5-0.9178.825.4-33000114.5
142Q29.9Very low27.1Very low177 Ų177120.5 Ų120.583%0.82764%0.635SS**THydrogen-bonded Turntrans-92.3-10.8173-64.5-164.9-10.400113.9N140 I144N140-Q142 PolarHBondContact O-N 2.84Å; Q142-I144 VanDerWaalsContact C-N 3.26Å; Q142-I144 PolarHBondContact O-N 2.66Å
143D26.3Very low26.5Very low113 Ų113125.7 Ų125.760%0.60466%0.66SS**  trans-88.617.5-174.8-67-30.5000114N140 C145N140-D143 VanDerWaalsContact CB-OD2 3.28Å; N140-D143 WeakPolarHBondContact CB-OD2 3.28Å; N140-D143 PolarHBondContact O-N 2.95Å; D143-C145 PolarHBondContact O-N 2.77Å
144I32.2Very low26.5Very low95 Ų95128 Ų12849%0.48767%0.665SS.*  trans-73.980.8167.3-52.9176.3000107.4Q142 F146Q142-I144 VanDerWaalsContact C-N 3.26Å; Q142-I144 PolarHBondContact O-N 2.66Å; I144-F146 HydrophobicContact CG2-CD2 4.29Å; I144-F146 HydrophobicContact CG2-CE2 4.02Å; I144-F146 HydrophobicContact CG2-CZ 4.43Å; I144-F146 PolarHBondContact O-N 2.88Å
145C23.3Very low26.2Very low122 Ų122130.3 Ų130.382%0.82468%0.676SS**  trans-64.998.2165.9-88.70000108.6D143D143-C145 PolarHBondContact O-N 2.77Å
146F28.3Very low26.1Very low137 Ų137129.1 Ų129.160%0.60168%0.681SS**  trans-59125.9159.1-74.2-89.4000107.5I144 Q148I144-F146 HydrophobicContact CG2-CD2 4.29Å; I144-F146 HydrophobicContact CG2-CE2 4.02Å; I144-F146 HydrophobicContact CG2-CZ 4.43Å; I144-F146 PolarHBondContact O-N 2.88Å; F146-Q148 PolarHBondContact O-N 3.44Å
147P23.2Very low26.1Very low84 Ų84130 Ų13055%0.54569%0.685SS.*  trans-57.4127.6171.1-17.2000107.7Q149 L150P147-Q149 PolarHBondContact O-N 3.28Å; P147-L150 HydrophobicContact CG-CD1 4.32Å; P147-L150 PolarHBondContact O-N 3.13Å
148Q24.6Very low26.1Very low165 Ų165128.5 Ų128.577%0.77167%0.669SS**G310 helixtrans-53.6-14.5-175.4-79.9175.6-22.500114.4F146 L150F146-Q148 PolarHBondContact O-N 3.44Å; Q148-L150 VanDerWaalsContact C-N 3.35Å
149Q25.2Very low25.7Very low180 Ų180136 Ų13684%0.84169%0.689SS**G310 helixtrans-75.1-16172-75.1-177.7-27.800114.7P147P147-Q149 PolarHBondContact O-N 3.28Å
150L26.6Very low25.7Very low93 Ų93136.4 Ų136.449%0.48769%0.688SS.*G310 helixtrans-89.5-1174.5-97.5154.2000113.4P147 Q148 L152P147-L150 HydrophobicContact CG-CD1 4.32Å; P147-L150 PolarHBondContact O-N 3.13Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; L150-L152 VanDerWaalsContact C-N 3.28Å; L150-L152 PolarHBondContact O-N 3.19Å
151Q23.7Very low25.7Very low144 Ų144134.7 Ų134.767%0.67368%0.683SS**G310 helixtrans-76.7-12.9175.5-112.6174.8-13.600113.3Q153Q151-Q153 PolarHBondContact O-N 2.92Å
152L21.4Very low25.7Very low148 Ų148137.9 Ų137.978%0.77568%0.68SS**THydrogen-bonded Turntrans-90.892.6-178.7-78.9152.9000110.6L150L150-L152 VanDerWaalsContact C-N 3.28Å; L150-L152 PolarHBondContact O-N 3.19Å
153Q23.7Very low25.7Very low183 Ų183134.2 Ų134.286%0.85567%0.67SS**THydrogen-bonded Turntrans140.510.5157.7-78.4-172.6-10.200114.7Q151 I155Q151-Q153 PolarHBondContact O-N 2.92Å; Q153-I155 PolarHBondContact O-N 3.43Å
154L27.1Very low25.8Very low128 Ų128133.7 Ų133.767%0.6766%0.66SS**  trans-76.358.9159.6-79.8159.2000110.3M158L154-M158 HydrophobicContact CD2-CG 4.26Å
155I21.4Very low25.6Very low142 Ų142133 Ų13373%0.72866%0.66SS**  trans-108.4111.5169.7-57.7176.8000106.7Q153Q153-I155 PolarHBondContact O-N 3.43Å
156N22.8Very low25.9Very low142 Ų142130.7 Ų130.776%0.75964%0.639SS**SBendtrans88.5144.2173.8-69.6-30.2000118.5
157P27.2Very low25.7Very low106 Ų106131 Ų13169%0.68864%0.642SS**  -95.1105.6-106.933.7-36.7000113.3R159P157-R159 VanDerWaalsContact C-N 3.3Å; P157-R159 PolarHBondContact O-N 3.42Å
158M24.8Very low25.8Very low84 Ų84130.5 Ų130.541%0.41464%0.635SS.*  trans-72.179168.2-71.7-86.7-90.500110.3I128 L154 K160 C161I128-M158 HydrophobicContact CD1-CE 4.31Å; L154-M158 HydrophobicContact CD2-CG 4.26Å; M158-K160 PolarHBondContact O-N 3.31Å; M158-C161 HydrophobicContact CE-CB 4.19Å; M158-C161 WeakPolarHBondContact CE-SG 3.29Å
159R23.4Very low25.6Very low229 Ų229127.4 Ų127.486%0.86464%0.638SS**THydrogen-bonded Turntrans-73.9-10.3-174.6-94.9-174.8177.9178.70.4116.1P157P157-R159 VanDerWaalsContact C-N 3.3Å; P157-R159 PolarHBondContact O-N 3.42Å
160K27Very low25.7Very low186 Ų186130.8 Ų130.881%0.80965%0.65SS**THydrogen-bonded Turntrans-154.243.7-177.6-67.6-170.8179.5173.30115.6M158 R162M158-K160 PolarHBondContact O-N 3.31Å; K160-R162 PolarHBondContact O-N 3.38Å
161C28Very low25.7Very low56 Ų56132.7 Ų132.738%0.37866%0.658SS.*  trans-80.5110.7166.5-820000110.2M158M158-C161 HydrophobicContact CE-CB 4.19Å; M158-C161 WeakPolarHBondContact CE-SG 3.29Å
162R29.1Very low25.8Very low181 Ų181132.1 Ų132.168%0.68366%0.657SS**  trans-89.2113165.4-71.3-176.8-178176.1-0.2108K160 Y164K160-R162 PolarHBondContact O-N 3.38Å; R162-Y164 HydrophobicContact CB-CD2 4.49Å; R162-Y164 HydrophobicContact CB-CE2 3.86Å; R162-Y164 WeakPolarHBondContact CD-OH 3.49Å
163V29.7Very low26Very low100 Ų100131.2 Ų131.261%0.60665%0.651SS**  trans-81.4116.8171.2-179.80000107.1F116 V165F116-V163 HydrophobicContact CZ-CG1 4.42Å; V163-V165 HydrophobicContact CG1-CG2 4.33Å
164Y29.3Very low26.2Very low103 Ų103128.1 Ų128.140%0.40464%0.639SS.*  trans-98.1109.3171.8-64.4-79.8000108.2R162 I166R162-Y164 HydrophobicContact CB-CD2 4.49Å; R162-Y164 HydrophobicContact CB-CE2 3.86Å; R162-Y164 WeakPolarHBondContact CD-OH 3.49Å; Y164-I166 PolarHBondContact O-N 3.34Å
165V29Very low26.1Very low80 Ų80128.1 Ų128.149%0.48564%0.637SS.*  trans-85.1104.8167.4-178.20000106.3V163 Q167V163-V165 HydrophobicContact CG1-CG2 4.33Å; V165-Q167 HydrophobicContact CG1-CG 4.49Å; V165-Q167 PolarHBondContact O-N 3.11Å
166I28.5Very low26.4Very low74 Ų74127.2 Ų127.238%0.37963%0.631SS.*  trans-84.399.9171.7-57.7173.7000106.3Y164 D168Y164-I166 PolarHBondContact O-N 3.34Å; I166-D168 PolarHBondContact O-N 2.85Å
167Q23.8Very low26.7Very low143 Ų143126.1 Ų126.167%0.66862%0.621SS**  trans-76.5104.1163.7-85.3179-28.100107.3V165 A169V165-Q167 HydrophobicContact CG1-CG 4.49Å; V165-Q167 PolarHBondContact O-N 3.11Å; Q167-A169 PolarHBondContact O-N 3.5Å
168D26.4Very low26.6Very low73 Ų73127.7 Ų127.739%0.3962%0.616SS.*  trans-78.3111.3160.6-66.2-33.8000107.2R102 I166 F170R102-D168 IonicContact CZ-OD2 3.23Å; R102-D168 VanDerWaalsContact CZ-OD2 3.23Å; R102-D168 IonicContact NH1-OD2 2.62Å; R102-D168 PolarHBondContact NH1-OD2 2.85Å; R102-D168 IonicContact NH2-OD2 2.94Å; R102-D168 PolarHBondContact NH2-OD2 3.18Å; I166-D168 PolarHBondContact O-N 2.85Å; D168-F170 HydrophobicContact CB-CD2 4.34Å; D168-F170 HydrophobicContact CB-CE2 4.28Å; D168-F170 PolarHBondContact O-N 3.31Å
169A20.7Very low26.8Very low101 Ų101131.3 Ų131.384%0.83563%0.633SS**  trans-70.1114.2155.800000106.9Q167Q167-A169 PolarHBondContact O-N 3.5Å
170F26.4Very low27.1Very low250 Ų250122.5 Ų122.5100%1.09661%0.612SS**  trans-91.60155.4-83.6-84.1000108.3D168D168-F170 HydrophobicContact CB-CD2 4.34Å; D168-F170 HydrophobicContact CB-CE2 4.28Å; D168-F170 PolarHBondContact O-N 3.31Å

Retrieved 170 of 170 residues in 181.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).