A0A087WV34_HUMAN Loading...

Glycosylated lysosomal membrane protein

Required to protect lysosomal transporter MFSD1 from lysosomal proteolysis and for MFSD1 lysosomal localization.

AlphaFold DB , UniProt , Accession A0A087WV34, Species HUMAN (Homo sapiens, Human), Gene GLMP, Length 320 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
1M34.6Very low28.7Very low251 Ų251160.5 Ų160.5100%1.23686%0.86SS**  0141.80-86.2171171.600108.5
2R34Very low28.4Very low258 Ų258152.8 Ų152.897%0.97485%0.846SS**  trans-66.3151-172.2-133.6177.7-127.4-153.9-2111.6
3G27.8Very low28.4Very low83 Ų83154.9 Ų154.986%0.85685%0.845SS**  trans-175.772.1169.400000112.3
4S30Very low28.6Very low105 Ų105152.9 Ų152.973%0.73485%0.846SS**  trans-94.1130.5168.4161.30000108.5
5V29.6Very low28.5Very low133 Ų133148.1 Ų148.181%0.80683%0.834SS**  trans-152.6106.3149.6-175.20000110.1
6E26.8Very low28.6Very low181 Ų181145.9 Ų145.985%0.84683%0.828SS**  trans38.5144.9133-82.7169.4153.600125.9
7C29.4Very low28.9Very low110 Ų110140.4 Ų140.474%0.74380%0.8SS**  trans-50.4147.5176.2-59.60000116.4
8T24.2Very low29.3Very low146 Ų146138.2 Ų138.290%0.89679%0.792SS**  trans-133.1121.6145.532.30000110.1
9W26.8Very low29.4Very low216 Ų216137.7 Ų137.782%0.81879%0.786SS**  trans-69.6127.7170.4-83.138.7000109.7W11W9-W11 AromaticContact CE3-CD1 3.88Å; W9-W11 AromaticContact CE3-NE1 3.37Å; W9-W11 AromaticContact CZ3-NE1 3.43Å
10G23.7Very low29.9Very low73 Ų73134.6 Ų134.675%0.75377%0.766SS**  trans-121.8100.416700000109.5G12G10-G12 PolarHBondContact O-N 3.37Å; G10-G12 VanDerWaalsContact O-N 3.1Å
11W28.4Very low30.1Very low210 Ų210133.1 Ų133.180%0.79576%0.756SS**  trans-67.6100.5167.5-8331.9000108.9W9W9-W11 AromaticContact CE3-CD1 3.88Å; W9-W11 AromaticContact CE3-NE1 3.37Å; W9-W11 AromaticContact CZ3-NE1 3.43Å
12G25.1Very low29.9Very low67 Ų67129.2 Ų129.269%0.69173%0.728SS**  trans-90.6111.5165.600000109.3G10 C14G10-G12 PolarHBondContact O-N 3.37Å; G10-G12 VanDerWaalsContact O-N 3.1Å; G12-C14 VanDerWaalsContact C-N 3.32Å; G12-C14 PolarHBondContact O-N 3.49Å
13H28.6Very low30.1Very low181 Ų181119.7 Ų119.784%0.83870%0.698SS**  trans-61.491.6167.9-74.1-75.6000109.9A15H13-A15 PolarHBondContact O-N 3.44Å; H13-A15 VanDerWaalsContact O-N 3.15Å
14C31Very low30.5Very low126 Ų126117.9 Ų117.985%0.85167%0.669SS**  trans-74.699.4163.5-76.20000107.8G12G12-C14 VanDerWaalsContact C-N 3.32Å; G12-C14 PolarHBondContact O-N 3.49Å
15A28.2Very low30.9Very low81 Ų81118.3 Ų118.367%0.66966%0.662SS**  trans-47.4139.2161.900000109.3H13 S17H13-A15 PolarHBondContact O-N 3.44Å; H13-A15 VanDerWaalsContact O-N 3.15Å; A15-S17 PolarHBondContact O-N 3.49Å
16P29.9Very low31.2Very low114 Ų114116.7 Ų116.774%0.7465%0.648SS**  trans-59.8114.5177.124.9-30.8000107.6
17S33.2Very low31.8Very low51 Ų51111.6 Ų111.636%0.35762%0.624SS.*  trans-57.3144.1-176.861.80000110.1A15 L19 L20A15-S17 PolarHBondContact O-N 3.49Å; S17-L19 PolarHBondContact O-N 3.26Å; S17-L20 WeakPolarHBondContact O-CB 3.26Å; S17-L20 PolarHBondContact O-N 3.27Å
18P35.5Very low32.1Very low101 Ų101108.6 Ų108.666%0.65661%0.606SS**Hα-helixtrans-56.6-16.6173.520.1-30.4000113.1L20 L21 W22P18-L20 VanDerWaalsContact C-N 3.29Å; P18-L20 PolarHBondContact O-N 3.44Å; P18-L21 PolarHBondContact O-N 3.45Å; P18-W22 WeakPolarHBondContact O-CB 3.31Å; P18-W22 VanDerWaalsContact O-CD1 3.28Å; P18-W22 PolarHBondContact O-N 3.29Å
19L32.1Very low32.5Very low130 Ų130102.5 Ų102.568%0.68157%0.571SS**Hα-helixtrans-61.2-31169.7-79.9154.8000113.7S17 T23S17-L19 PolarHBondContact O-N 3.26Å; L19-T23 PolarHBondContact O-N 3.4Å; L19-T23 PolarHBondContact O-OG1 3.11Å
20L38.2Very low32.9Very low74 Ų7492.9 Ų92.939%0.38754%0.537SS..Hα-helixtrans-77.5-34.8-178.8-121151000111.9S17 P18 T23 L24 L83S17-L20 WeakPolarHBondContact O-CB 3.26Å; S17-L20 PolarHBondContact O-N 3.27Å; P18-L20 VanDerWaalsContact C-N 3.29Å; P18-L20 PolarHBondContact O-N 3.44Å; L20-T23 VanDerWaalsContact CA-OG1 3.26Å; L20-T23 WeakPolarHBondContact CA-OG1 3.35Å; L20-T23 PolarHBondContact O-OG1 3.42Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 PolarHBondContact O-N 3.35Å; L20-L83 HydrophobicContact CD2-CD2 4.24Å
21L35.6Very low33.6Very low105 Ų10591.7 Ų91.755%0.5551%0.511SS..Hα-helixtrans-72.8-37.2171.1-158.384000110.8P18 L24 L25P18-L21 PolarHBondContact O-N 3.45Å; L21-L24 PolarHBondContact O-N 3.37Å; L21-L25 HydrophobicContact CG-CD1 4.41Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.5Å
22W28.8Very low33.9Very low169 Ų16982.3 Ų82.364%0.6448%0.479SS*.Hα-helixtrans-67.1-42.2172.9-95.386.1000112.4P18 L25 L26P18-W22 WeakPolarHBondContact O-CB 3.31Å; P18-W22 VanDerWaalsContact O-CD1 3.28Å; P18-W22 PolarHBondContact O-N 3.29Å; W22-L25 PolarHBondContact O-N 2.98Å; W22-L26 HydrophobicContact CE3-CD1 4.01Å; W22-L26 HydrophobicContact CE3-CG 4.46Å; W22-L26 WeakPolarHBondContact O-CB 3.49Å; W22-L26 WeakPolarHBondContact O-CD1 3.37Å; W22-L26 VanDerWaalsContact O-CG 3.29Å; W22-L26 WeakPolarHBondContact O-CG 3.33Å; W22-L26 PolarHBondContact O-N 2.97Å
23T38.4Very low34.3Very low57 Ų5783 Ų8335%0.3547%0.466SS..Hα-helixtrans-64.5-42.3171.735.90000110.4L19 L20 L25 L26 F27L19-T23 PolarHBondContact O-N 3.4Å; L19-T23 PolarHBondContact O-OG1 3.11Å; L20-T23 VanDerWaalsContact CA-OG1 3.26Å; L20-T23 WeakPolarHBondContact CA-OG1 3.35Å; L20-T23 PolarHBondContact O-OG1 3.42Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 2.95Å; T23-L26 CarbonylContact O-C 3.59Å; T23-L26 PolarHBondContact O-N 3.3Å; T23-F27 HydrophobicContact CG2-CD2 4.43Å; T23-F27 HydrophobicContact CG2-CE2 4.1Å; T23-F27 WeakPolarHBondContact O-CA 3.33Å; T23-F27 WeakPolarHBondContact O-CB 3.44Å; T23-F27 WeakPolarHBondContact O-CD2 3.47Å; T23-F27 WeakPolarHBondContact O-CG 3.36Å; T23-F27 PolarHBondContact O-N 3.5Å
24L37.3Very low34.8Very low46 Ų4675 Ų7524%0.24143%0.43CS..Hα-helixtrans-64-35.7176.4-135.3104.2000113.2L20 L21 F27 A28 L78 L83L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.37Å; L24-F27 CarbonylContact O-C 3.47Å; L24-F27 PolarHBondContact O-N 3.33Å; L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 2.98Å; L24-L78 HydrophobicContact CD2-CD1 3.46Å; L24-L78 VanDerWaalsContact CD2-CD1 3.46Å; L24-L83 HydrophobicContact CD1-CD2 4.49Å
25L37.3Very low35.2Very low113 Ų11369.1 Ų69.159%0.59239%0.39SS*.Hα-helixtrans-73-33.3173.4-79.6161.2000112.3L21 W22 T23 A29L21-L25 HydrophobicContact CG-CD1 4.41Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.5Å; W22-L25 PolarHBondContact O-N 2.98Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 2.95Å; L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 3.5Å
26L37.6Very low36.1Very low100 Ų10065.7 Ų65.752%0.52436%0.36SS..Hα-helixtrans-73.9-22.4170.1-79.4157.5000112.8W22 T23 A29W22-L26 HydrophobicContact CE3-CD1 4.01Å; W22-L26 HydrophobicContact CE3-CG 4.46Å; W22-L26 WeakPolarHBondContact O-CB 3.49Å; W22-L26 WeakPolarHBondContact O-CD1 3.37Å; W22-L26 VanDerWaalsContact O-CG 3.29Å; W22-L26 WeakPolarHBondContact O-CG 3.33Å; W22-L26 PolarHBondContact O-N 2.97Å; T23-L26 CarbonylContact O-C 3.59Å; T23-L26 PolarHBondContact O-N 3.3Å; L26-A29 WeakPolarHBondContact O-CB 3.1Å
27F39Very low37.3Very low74 Ų7462.6 Ų62.633%0.32534%0.335SS..Hα-helixtrans-99.2-14.1176.6-80-69000112.9T23 L24 A29 P30 A110 C130T23-F27 HydrophobicContact CG2-CD2 4.43Å; T23-F27 HydrophobicContact CG2-CE2 4.1Å; T23-F27 WeakPolarHBondContact O-CA 3.33Å; T23-F27 WeakPolarHBondContact O-CB 3.44Å; T23-F27 WeakPolarHBondContact O-CD2 3.47Å; T23-F27 WeakPolarHBondContact O-CG 3.36Å; T23-F27 PolarHBondContact O-N 3.5Å; L24-F27 CarbonylContact O-C 3.47Å; L24-F27 PolarHBondContact O-N 3.33Å; F27-A29 VanDerWaalsContact C-N 3.31Å; F27-P30 WeakPolarHBondContact O-CD 3.46Å; F27-P30 WeakPolarHBondContact O-CG 3.14Å; F27-A110 HydrophobicContact CB-CB 4.29Å; F27-A110 HydrophobicContact CG-CB 4.39Å; F27-C130 PolarHBondContact O-SG 3.33Å
28A35.1Very low38.4Very low46 Ų4661.6 Ų61.638%0.3833%0.327SS..SBendtrans-83.7-15.9155.600000110.9L24 P30 F31L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 2.98Å; A28-P30 VanDerWaalsContact C-N 3.3Å; A28-F31 PolarHBondContact O-N 2.91Å; A28-F31 VanDerWaalsContact O-N 3.14Å
29A32.8Very low40.2Very low19 Ų1958 Ų5816%0.15730%0.3CS..Hα-helixtrans-61.5-22.2172.900000114.2L25 L26 F27 F31 G32 L33L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 3.5Å; L26-A29 WeakPolarHBondContact O-CB 3.1Å; F27-A29 VanDerWaalsContact C-N 3.31Å; A29-F31 PolarHBondContact O-N 2.91Å; A29-G32 CarbonylContact O-C 3.49Å; A29-G32 WeakPolarHBondContact O-CA 3.41Å; A29-G32 PolarHBondContact O-N 3.38Å; A29-L33 HydrophobicContact CB-CD1 3.29Å; A29-L33 HydrophobicContact CB-CG 3.86Å; A29-L33 VanDerWaalsContact O-CA 3.3Å; A29-L33 WeakPolarHBondContact O-CA 3.26Å; A29-L33 WeakPolarHBondContact O-CB 3.21Å; A29-L33 WeakPolarHBondContact O-CG 3.05Å; A29-L33 PolarHBondContact O-N 2.86Å
30P36Very low42.9Very low14 Ų1454.5 Ų54.59%0.09128%0.28CS..Hα-helixtrans-55.5-36.9169.2-22.433.7000112.6F27 A28 G32 L34F27-P30 WeakPolarHBondContact O-CD 3.46Å; F27-P30 WeakPolarHBondContact O-CG 3.14Å; A28-P30 VanDerWaalsContact C-N 3.3Å; P30-G32 VanDerWaalsContact C-N 3.33Å; P30-G32 PolarHBondContact O-N 3.43Å; P30-L34 HydrophobicContact CB-CD1 3.9Å; P30-L34 WeakPolarHBondContact O-CA 3.35Å; P30-L34 WeakPolarHBondContact O-CB 3.36Å; P30-L34 WeakPolarHBondContact O-CD1 3.21Å; P30-L34 PolarHBondContact O-N 3.47Å
31F38Very low45.5Very low48 Ų4851.1 Ų51.121%0.21126%0.262CS..Hα-helixtrans-70.4-30.6174.6-63.8-78.8000112.6A28 A29 V108 L132 L270A28-F31 PolarHBondContact O-N 2.91Å; A28-F31 VanDerWaalsContact O-N 3.14Å; A29-F31 PolarHBondContact O-N 2.91Å; F31-V108 HydrophobicContact CD2-CG2 4.48Å; F31-V108 HydrophobicContact CE2-CB 4.4Å; F31-V108 HydrophobicContact CE2-CG1 3.76Å; F31-V108 HydrophobicContact CE2-CG2 3.69Å; F31-V108 HydrophobicContact CZ-CG2 4Å; F31-L132 HydrophobicContact CE1-CB 4.35Å; F31-L132 HydrophobicContact CE1-CD1 4.1Å; F31-L132 HydrophobicContact CE1-CD2 4.03Å; F31-L132 HydrophobicContact CE1-CG 4.39Å; F31-L132 HydrophobicContact CZ-CB 3.98Å; F31-L132 HydrophobicContact CZ-CD1 3.87Å; F31-L132 HydrophobicContact CZ-CD2 4.44Å; F31-L132 HydrophobicContact CZ-CG 4.31Å; F31-L270 HydrophobicContact CD1-CD2 4.03Å; F31-L270 HydrophobicContact CE1-CD1 3.71Å; F31-L270 HydrophobicContact CE1-CD2 3.68Å; F31-L270 HydrophobicContact CE1-CG 4.38Å; F31-L270 HydrophobicContact CE2-CD1 4.48Å; F31-L270 HydrophobicContact CZ-CD1 3.54Å; F31-L270 HydrophobicContact CZ-CD2 4.17Å; F31-L270 HydrophobicContact CZ-CG 4.5Å
32G33.9Very low48.2Very low12 Ų1246.8 Ų46.812%0.12424%0.24CC..Hα-helixtrans-89.4-22175.600000116A29 P30 F237A29-G32 CarbonylContact O-C 3.49Å; A29-G32 WeakPolarHBondContact O-CA 3.41Å; A29-G32 PolarHBondContact O-N 3.38Å; P30-G32 VanDerWaalsContact C-N 3.33Å; P30-G32 PolarHBondContact O-N 3.43Å; G32-F237 WeakPolarHBondContact O-CE2 3.3Å
33L33.2Very low51.3Low82 Ų8238.8 Ų38.843%0.42921%0.21SC..Hα-helixtrans-103.9-27.2-173.4-79.2162.6000111.2A29 F236 F237A29-L33 HydrophobicContact CB-CD1 3.29Å; A29-L33 HydrophobicContact CB-CG 3.86Å; A29-L33 VanDerWaalsContact O-CA 3.3Å; A29-L33 WeakPolarHBondContact O-CA 3.26Å; A29-L33 WeakPolarHBondContact O-CB 3.21Å; A29-L33 WeakPolarHBondContact O-CG 3.05Å; A29-L33 PolarHBondContact O-N 2.86Å; L33-F236 HydrophobicContact CD2-CE1 3.7Å; L33-F236 HydrophobicContact CD2-CE2 4.03Å; L33-F236 HydrophobicContact CD2-CZ 3.27Å; L33-F236 HydrophobicContact CG-CZ 4.25Å; L33-F237 WeakPolarHBondContact O-CZ 3.44Å
34L39.6Very low53.9Low14 Ų1437.5 Ų37.57%0.07320%0.199CC..SBendtrans-95.6-2.7168.9-73.888.4000112.6P30 E36 W186 V272P30-L34 HydrophobicContact CB-CD1 3.9Å; P30-L34 WeakPolarHBondContact O-CA 3.35Å; P30-L34 WeakPolarHBondContact O-CB 3.36Å; P30-L34 WeakPolarHBondContact O-CD1 3.21Å; P30-L34 PolarHBondContact O-N 3.47Å; L34-E36 PolarHBondContact O-N 3.33Å; L34-E36 VanDerWaalsContact O-N 3.08Å; L34-W186 HydrophobicContact CB-CH2 4.28Å; L34-W186 HydrophobicContact CB-CZ2 4.06Å; L34-W186 HydrophobicContact CD2-CD2 4.01Å; L34-W186 HydrophobicContact CD2-CE3 3.61Å; L34-W186 HydrophobicContact CD2-CH2 3.43Å; L34-W186 VanDerWaalsContact CD2-CH2 3.43Å; L34-W186 HydrophobicContact CD2-CZ2 3.88Å; L34-W186 HydrophobicContact CD2-CZ3 3.29Å; L34-W186 HydrophobicContact CG-CH2 4.5Å; L34-V272 HydrophobicContact CD1-CG2 3.79Å
35G39.3Very low56.4Low1 Ų137.1 Ų37.11%0.0120%0.197CC..  trans60.920.4176.100000113.8K37G35-K37 PolarHBondContact O-N 2.97Å
36E48.1Very low58.7Low10 Ų1031.8 Ų31.85%0.04717%0.169CC..  trans-81.5114.3-179.1-169.2164.4-163.800110L34 V152 A153 T154 W186 M268 L270L34-E36 PolarHBondContact O-N 3.33Å; L34-E36 VanDerWaalsContact O-N 3.08Å; E36-V152 HydrophobicContact CG-CG1 3.7Å; E36-V152 WeakPolarHBondContact OE1-CG1 3.29Å; E36-A153 CarbonylContact C-O 3.55Å; E36-A153 VanDerWaalsContact CA-O 3.28Å; E36-A153 WeakPolarHBondContact CA-O 3.21Å; E36-T154 HydrophobicContact CB-CG2 4.29Å; E36-T154 HydrophobicContact CG-CG2 3.97Å; E36-W186 HydrophobicContact CB-CZ2 4.42Å; E36-W186 WeakPolarHBondContact OE2-CH2 3.33Å; E36-M268 VanDerWaalsContact CD-CE 3.45Å; E36-M268 HydrophobicContact CG-CE 4.4Å; E36-M268 WeakPolarHBondContact OE1-CE 3.49Å; E36-M268 WeakPolarHBondContact OE2-CE 3.25Å; E36-L270 HydrophobicContact CB-CD2 4.47Å; E36-L270 WeakPolarHBondContact OE2-CD2 2.97Å
37K55Low60.7Low49 Ų4930 Ų3021%0.21316%0.163CC..EExtended strand (participates in β ladder)trans-124.2120.6179.6-178.7169.1-178.5176.60108.7G35 R39 A153 S230G35-K37 PolarHBondContact O-N 2.97Å; K37-R39 HydrophobicContact CB-CG 4.5Å; K37-R39 HydrophobicContact CD-CG 4.49Å; K37-R39 HydrophobicContact CG-CG 4.08Å; K37-R39 PolarHBondContact O-N 2.83Å; K37-A153 PolarHBondContact N-O 2.68Å; K37-A153 PolarHBondContact O-N 2.73Å; K37-S230 WeakPolarHBondContact CD-OG 3.48Å; K37-S230 VanDerWaalsContact NZ-CB 3.26Å; K37-S230 PolarHBondContact NZ-OG 3.14Å; K37-S230 VanDerWaalsContact NZ-OG 3.08Å
38T55.1Low62.2Low29 Ų2933.5 Ų33.518%0.17819%0.185CC..EExtended strand (participates in β ladder)trans-67.7127.2158.348.30000107.8F106 E151 V152T38-F106 HydrophobicContact CG2-CE1 3.87Å; T38-F106 HydrophobicContact CG2-CZ 4.27Å; T38-F106 WeakPolarHBondContact OG1-CE1 3.28Å; T38-F106 VanDerWaalsContact OG1-CZ 3.3Å; T38-F106 WeakPolarHBondContact OG1-CZ 3.29Å; T38-E151 WeakPolarHBondContact CA-O 3.5Å; T38-V152 HydrophobicContact CG2-CG2 4.33Å
39R74.7Confident63.8Low25 Ų2533.1 Ų33.19%0.09418%0.178CC..EExtended strand (participates in β ladder)trans-110.5-42.8-169.9-71.6-176.8174172.80.8112.4K37 L66 E151 A153 F243K37-R39 HydrophobicContact CB-CG 4.5Å; K37-R39 HydrophobicContact CD-CG 4.49Å; K37-R39 HydrophobicContact CG-CG 4.08Å; K37-R39 PolarHBondContact O-N 2.83Å; R39-L66 WeakPolarHBondContact O-CB 2.97Å; R39-L66 WeakPolarHBondContact O-CG 3.49Å; R39-L66 PolarHBondContact O-N 3.33Å; R39-E151 HydrophobicContact CB-CG 4.42Å; R39-E151 VanDerWaalsContact CB-OE2 3.25Å; R39-E151 WeakPolarHBondContact CB-OE2 2.89Å; R39-E151 PolarHBondContact N-O 3.23Å; R39-A153 HydrophobicContact CG-CB 4.39Å; R39-F243 VanDerWaalsContact NH2-CD1 3.26Å
40Q87.2Confident65.1Low57 Ų5735.4 Ų35.427%0.26619%0.192SC..EExtended strand (participates in β ladder)trans-138.1136.5-172.3-58179.63100109.7L42 P63 Y64 L150 E151Q40-L42 HydrophobicContact CB-CD2 3.91Å; Q40-P63 HydrophobicContact CB-CB 4.18Å; Q40-Y64 VanDerWaalsContact CA-O 3.26Å; Q40-Y64 WeakPolarHBondContact CA-O 3.33Å; Q40-L150 WeakPolarHBondContact O-CA 3.48Å; Q40-E151 HydrophobicContact CB-CB 3.98Å; Q40-E151 HydrophobicContact CG-CB 4.5Å; Q40-E151 WeakPolarHBondContact CG-OE2 3.37Å; Q40-E151 PolarHBondContact NE2-OE2 2.96Å; Q40-E151 PolarHBondContact O-N 2.99Å
41L92.8Very high66Low3 Ų339.8 Ų39.82%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-86.3120.2158.8176.276.3000107.2Y64 L66 F99 L136 F148 L150L41-Y64 HydrophobicContact CB-CD2 4.31Å; L41-Y64 HydrophobicContact CD2-CD2 3.91Å; L41-Y64 HydrophobicContact CD2-CE2 4.39Å; L41-Y64 HydrophobicContact CD2-CG 4.49Å; L41-Y64 HydrophobicContact CG-CD2 4.21Å; L41-Y64 PolarHBondContact N-O 2.96Å; L41-Y64 PolarHBondContact O-N 2.85Å; L41-L66 HydrophobicContact CB-CD2 4.3Å; L41-F99 HydrophobicContact CD2-CZ 3.84Å; L41-L136 HydrophobicContact CD1-CD2 4.45Å; L41-L136 HydrophobicContact CD2-CD1 4.08Å; L41-L136 HydrophobicContact CD2-CD2 4.39Å; L41-F148 HydrophobicContact CD1-CD1 4.21Å; L41-F148 HydrophobicContact CD2-CD1 4.41Å; L41-F148 HydrophobicContact CG-CD1 4.32Å; L41-L150 HydrophobicContact CD1-CD2 4.09Å
42L93.5Very high66.6Low14 Ų1442 Ų427%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-96.2149.6-178.4-51.6176.1000109.5Q40 F44 P63 F148 G149 E151 N247Q40-L42 HydrophobicContact CB-CD2 3.91Å; L42-F44 HydrophobicContact CB-CD2 4.5Å; L42-F44 HydrophobicContact CB-CE2 3.6Å; L42-F44 HydrophobicContact CB-CZ 3.98Å; L42-F44 HydrophobicContact CD1-CE2 4.24Å; L42-F44 HydrophobicContact CD1-CZ 4.1Å; L42-P63 HydrophobicContact CD2-CB 3.89Å; L42-F148 CarbonylContact O-C 3.5Å; L42-F148 WeakPolarHBondContact O-CA 3.45Å; L42-G149 PolarHBondContact N-O 2.83Å; L42-G149 PolarHBondContact O-N 3.46Å; L42-E151 HydrophobicContact CD1-CB 4.46Å; L42-N247 HydrophobicContact CD1-CB 4.04Å
43E94.6Very high67.2Low2 Ų246.6 Ų46.61%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-142.2134.5174.7-169.9-177.4-178.500109.3Y61 P141 R142 S146 L147 F148E43-Y61 HydrophobicContact CB-CD2 4.2Å; E43-Y61 HydrophobicContact CG-CD2 3.81Å; E43-Y61 HydrophobicContact CG-CE2 4.44Å; E43-Y61 PolarHBondContact O-N 2.9Å; E43-P141 WeakPolarHBondContact OE1-CA 3.43Å; E43-R142 PolarHBondContact OE1-N 3.49Å; E43-R142 VanDerWaalsContact OE2-CD 3.29Å; E43-R142 WeakPolarHBondContact OE2-CD 3.3Å; E43-R142 WeakPolarHBondContact OE2-CG 3.43Å; E43-R142 IonicContact OE2-CZ 2.65Å; E43-R142 IonicContact OE2-NE 2.86Å; E43-R142 PolarHBondContact OE2-NE 2.79Å; E43-S146 WeakPolarHBondContact OE1-CB 3.32Å; E43-S146 PolarHBondContact OE1-OG 3.35Å; E43-L147 CarbonylContact C-O 3.58Å; E43-L147 VanDerWaalsContact CA-O 3.32Å; E43-L147 WeakPolarHBondContact CA-O 3.31Å; E43-F148 HydrophobicContact CB-CD1 4.28Å; E43-F148 HydrophobicContact CB-CE1 4.16Å; E43-F148 HydrophobicContact CG-CD1 4.25Å; E43-F148 HydrophobicContact CG-CE1 3.84Å; E43-F148 HydrophobicContact CG-CZ 4.04Å
44F91.8Very high67.8Low30 Ų3047.5 Ų47.513%0.13229%0.289CS..EExtended strand (participates in β ladder)trans-130.7138.1-176.4-55.2-91.6000110.9L42 R59 P60 S146 L147 T249L42-F44 HydrophobicContact CB-CD2 4.5Å; L42-F44 HydrophobicContact CB-CE2 3.6Å; L42-F44 HydrophobicContact CB-CZ 3.98Å; L42-F44 HydrophobicContact CD1-CE2 4.24Å; L42-F44 HydrophobicContact CD1-CZ 4.1Å; F44-R59 WeakPolarHBondContact CA-O 3.23Å; F44-P60 HydrophobicContact CD1-CB 3.86Å; F44-P60 HydrophobicContact CE1-CB 3.86Å; F44-S146 CarbonylContact O-C 3.57Å; F44-S146 WeakPolarHBondContact O-CA 3.01Å; F44-L147 HydrophobicContact CB-CB 4.46Å; F44-L147 PolarHBondContact N-O 3.37Å; F44-L147 PolarHBondContact O-N 3.45Å; F44-T249 HydrophobicContact CE2-CG2 3.87Å; F44-T249 HydrophobicContact CZ-CG2 4.49Å
45D90.6Very high68.4Low37 Ų3754.1 Ų54.120%0.19832%0.317CS..EExtended strand (participates in β ladder)trans-83.8111.5169.8-177-4.6000110.8T47 G58 R59 Y61D45-T47 WeakPolarHBondContact OD1-CB 3.37Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.32Å; D45-T47 PolarHBondContact OD1-N 3.15Å; D45-T47 PolarHBondContact OD1-OG1 3.35Å; D45-T47 PolarHBondContact OD2-OG1 3.41Å; D45-G58 CarbonylContact O-C 3.57Å; D45-G58 WeakPolarHBondContact O-CA 3.33Å; D45-R59 PolarHBondContact N-O 3.33Å; D45-R59 PolarHBondContact O-N 3.43Å; D45-R59 VanDerWaalsContact O-N 3.07Å; D45-Y61 HydrophobicContact CB-CE2 3.72Å
46S86Confident69.2Low1 Ų158.8 Ų58.81%0.00735%0.347CS..  trans-94.87.8-177.4670000115.2N48 V49 R145S46-N48 PolarHBondContact O-N 3Å; S46-V49 PolarHBondContact O-N 3.28Å; S46-R145 PolarHBondContact N-O 2.83Å; S46-R145 WeakPolarHBondContact OG-CB 3.18Å; S46-R145 PolarHBondContact OG-O 3.27Å
47T79.1Confident70Confident63 Ų6360.5 Ų60.539%0.38736%0.356SS..THydrogen-bonded Turntrans-56.2-24.4-17347.30000116.3D45 R145D45-T47 WeakPolarHBondContact OD1-CB 3.37Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.32Å; D45-T47 PolarHBondContact OD1-N 3.15Å; D45-T47 PolarHBondContact OD1-OG1 3.35Å; D45-T47 PolarHBondContact OD2-OG1 3.41Å; T47-R145 HydrophobicContact CG2-CB 4.16Å; T47-R145 HydrophobicContact CG2-CG 4.32Å
48N70Confident71Confident148 Ų14858.7 Ų58.779%0.79135%0.352SS*.THydrogen-bonded Turntrans-124.818.9-177.2-66.3-64.2000113.9S46S46-N48 PolarHBondContact O-N 3Å
49V69.3Low72.4Confident37 Ų3766.9 Ų66.922%0.22438%0.38CS..  trans-90.1121.2-177.6-177.10000108.8S46S46-V49 PolarHBondContact O-N 3.28Å
50S59.3Low73.1Confident67 Ų6770.3 Ų70.347%0.46941%0.405SS..  trans-75.6136.5167.256.60000109.4T52S50-T52 PolarHBondContact O-N 2.91Å; S50-T52 PolarHBondContact OG-OG1 3.48Å
51D55.3Low73.4Confident106 Ų10670.5 Ų70.557%0.56740%0.404SS*.SBendtrans-63.720.9-177.6-67.9-36.3000115.7S253D51-S253 PolarHBondContact OD1-OG 2.9Å
52T49.9Very low73.3Confident95 Ų9574.6 Ų74.658%0.58343%0.431SS*.  trans-80.6120.5173.421.20000110S50 A54 K55S50-T52 PolarHBondContact O-N 2.91Å; S50-T52 PolarHBondContact OG-OG1 3.48Å; T52-A54 PolarHBondContact O-N 3.19Å; T52-K55 PolarHBondContact O-N 3.5Å
53A48.1Very low73.2Confident108 Ų10877 Ų7789%0.89345%0.448SS*.THydrogen-bonded Turntrans-58.99.9-170.500000117.5
54A44Very low73.1Confident102 Ų10278.1 Ų78.184%0.84345%0.452SS*.THydrogen-bonded Turntrans-124.98.4-173.200000115T52T52-A54 PolarHBondContact O-N 3.19Å
55K52.9Low73Confident153 Ų15378.6 Ų78.667%0.66546%0.459SS*.SBendtrans-121.9155.6-179.4-107-175.4172.3170.90112.1T52 L57T52-K55 PolarHBondContact O-N 3.5Å; K55-L57 PolarHBondContact O-N 3.2Å
56P56.3Low73Confident99 Ų9977.4 Ų77.464%0.64345%0.452SS*.  trans-60137.3-174.324.2-31.1000110.8G58P56-G58 PolarHBondContact O-N 3.24Å
57L65Low73.1Confident45 Ų4580 Ų8024%0.23647%0.474CS..SBendtrans-61.41.1-174.5-68.2159.9000115K55 T249K55-L57 PolarHBondContact O-N 3.2Å; L57-T249 HydrophobicContact CD1-CG2 3.52Å; L57-T249 WeakPolarHBondContact CD1-OG1 3.35Å
58G75Confident73.6Confident12 Ų1281.6 Ų81.612%0.12448%0.48CS..SBendtrans148.1-177.9-178.900000112.1D45 P56D45-G58 CarbonylContact O-C 3.57Å; D45-G58 WeakPolarHBondContact O-CA 3.33Å; P56-G58 PolarHBondContact O-N 3.24Å
59R85.1Confident74.7Confident201 Ų20175 Ų7576%0.75844%0.444SS*.EExtended strand (participates in β ladder)trans-80.8123.4167.4-67.8-177.9-178.6-175.91.2108.4F44 D45F44-R59 WeakPolarHBondContact CA-O 3.23Å; D45-R59 PolarHBondContact N-O 3.33Å; D45-R59 PolarHBondContact O-N 3.43Å; D45-R59 VanDerWaalsContact O-N 3.07Å
60P90.2Very high75.8Confident97 Ų9775.1 Ų75.163%0.6345%0.447SS*.EExtended strand (participates in β ladder)trans-70.7136.2-179.428.3-33.5000110.8F44F44-P60 HydrophobicContact CD1-CB 3.86Å; F44-P60 HydrophobicContact CE1-CB 3.86Å
61Y92.8Very high77.3Confident60 Ų6076.3 Ų76.324%0.23544%0.441CS..PPolyproline II helixtrans-82.3161.9163.1-70.2-77000110.5E43 D45 R142E43-Y61 HydrophobicContact CB-CD2 4.2Å; E43-Y61 HydrophobicContact CG-CD2 3.81Å; E43-Y61 HydrophobicContact CG-CE2 4.44Å; E43-Y61 PolarHBondContact O-N 2.9Å; D45-Y61 HydrophobicContact CB-CE2 3.72Å; Y61-R142 HydrophobicContact CD1-CB 4.1Å; Y61-R142 HydrophobicContact CD2-CB 4.46Å; Y61-R142 HydrophobicContact CE1-CB 3.91Å; Y61-R142 HydrophobicContact CE2-CB 4.29Å; Y61-R142 HydrophobicContact CG-CB 4.37Å
62P91.8Very high79.2Confident90 Ų9075.1 Ų75.158%0.58444%0.435SS*.PPolyproline II helixtrans-54.1121.5171-27.833.2000111.2R142P62-R142 VanDerWaalsContact CD-NH1 3.34Å; P62-R142 VanDerWaalsContact O-CZ 3.24Å; P62-R142 PolarHBondContact O-NH1 2.88Å; P62-R142 PolarHBondContact O-NH2 3.43Å
63P91.4Very high81.1Confident65 Ų6575.1 Ų75.142%0.42243%0.432SS..PPolyproline II helixtrans-69.6154.7-174.528.8-35.4000111.8Q40 L42Q40-P63 HydrophobicContact CB-CB 4.18Å; L42-P63 HydrophobicContact CD2-CB 3.89Å
64Y91.8Very high83.1Confident24 Ų2473.6 Ų73.69%0.09441%0.408CS..EExtended strand (participates in β ladder)trans-90.2114.3173.2-56.9-93.1000109.7Q40 L41 L66 P91 T98 F99 R142Q40-Y64 VanDerWaalsContact CA-O 3.26Å; Q40-Y64 WeakPolarHBondContact CA-O 3.33Å; L41-Y64 HydrophobicContact CB-CD2 4.31Å; L41-Y64 HydrophobicContact CD2-CD2 3.91Å; L41-Y64 HydrophobicContact CD2-CE2 4.39Å; L41-Y64 HydrophobicContact CD2-CG 4.49Å; L41-Y64 HydrophobicContact CG-CD2 4.21Å; L41-Y64 PolarHBondContact N-O 2.96Å; L41-Y64 PolarHBondContact O-N 2.85Å; Y64-L66 PolarHBondContact O-N 3.44Å; Y64-P91 HydrophobicContact CD1-CG 4.21Å; Y64-T98 WeakPolarHBondContact OH-CG2 3.45Å; Y64-F99 AromaticContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CE1-CD2 4.23Å; Y64-F99 AromaticContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE2-CE2 4.33Å; Y64-F99 AromaticContact CZ-CE2 3.75Å; Y64-R142 PolarHBondContact OH-NE 3.18Å; Y64-R142 PolarHBondContact OH-NH2 2.78Å
65S90.4Very high85.2Confident41 Ų4173.4 Ų73.429%0.28740%0.396SS..EExtended strand (participates in β ladder)trans-68.4118.1173.11660000110.2A67 D68 F69S65-A67 PolarHBondContact O-N 3.05Å; S65-A67 PolarHBondContact OG-N 2.91Å; S65-D68 WeakPolarHBondContact CB-OD2 3.48Å; S65-D68 PolarHBondContact O-N 3.32Å; S65-D68 VanDerWaalsContact O-N 3.07Å; S65-D68 PolarHBondContact OG-OD2 2.86Å; S65-F69 WeakPolarHBondContact O-CD2 3.47Å
66L89.8Confident86.9Confident11 Ų1172.7 Ų72.76%0.05840%0.4CS..G310 helixtrans-71.3-13178.2-60.4-174.6000112.8R39 L41 Y64 D68 F69 L104 F106R39-L66 WeakPolarHBondContact O-CB 2.97Å; R39-L66 WeakPolarHBondContact O-CG 3.49Å; R39-L66 PolarHBondContact O-N 3.33Å; L41-L66 HydrophobicContact CB-CD2 4.3Å; Y64-L66 PolarHBondContact O-N 3.44Å; L66-D68 VanDerWaalsContact C-N 3.25Å; L66-F69 HydrophobicContact CD2-CD1 4.45Å; L66-F69 HydrophobicContact CD2-CD2 4.26Å; L66-F69 HydrophobicContact CD2-CE1 4.23Å; L66-F69 HydrophobicContact CD2-CE2 4.01Å; L66-F69 HydrophobicContact CD2-CG 4.48Å; L66-F69 HydrophobicContact CD2-CZ 4Å; L66-L104 HydrophobicContact CD1-CD2 4.34Å; L66-L104 HydrophobicContact CD2-CD2 3.43Å; L66-L104 VanDerWaalsContact CD2-CD2 3.43Å; L66-F106 HydrophobicContact CD1-CE2 4.15Å; L66-F106 HydrophobicContact CD1-CZ 3.82Å
67A87.2Confident88.6Confident56 Ų5669.7 Ų69.746%0.46338%0.381SS..G310 helixtrans-71.5-23.8170.500000112.2S65 F69S65-A67 PolarHBondContact O-N 3.05Å; S65-A67 PolarHBondContact OG-N 2.91Å; A67-F69 VanDerWaalsContact C-N 3.31Å
68D90.4Very high89.9Confident96 Ų9670.7 Ų70.751%0.51339%0.386SS..G310 helixtrans-96.821-179.2-57.5-54.3000112.3S65 L66 M92S65-D68 WeakPolarHBondContact CB-OD2 3.48Å; S65-D68 PolarHBondContact O-N 3.32Å; S65-D68 VanDerWaalsContact O-N 3.07Å; S65-D68 PolarHBondContact OG-OD2 2.86Å; L66-D68 VanDerWaalsContact C-N 3.25Å; D68-M92 VanDerWaalsContact C-CE 3.45Å; D68-M92 HydrophobicContact CB-CE 4.33Å; D68-M92 WeakPolarHBondContact O-CB 3.42Å; D68-M92 WeakPolarHBondContact O-CG 3.15Å; D68-M92 PolarHBondContact O-N 3.22Å
69F92.1Very high90.9Very high10 Ų1073 Ų734%0.04440%0.396CS..EExtended strand (participates in β ladder)trans-96.3144.3175.2-86-131.8000111.1S65 L66 A67 W71 H90 P91 F99 L104S65-F69 WeakPolarHBondContact O-CD2 3.47Å; L66-F69 HydrophobicContact CD2-CD1 4.45Å; L66-F69 HydrophobicContact CD2-CD2 4.26Å; L66-F69 HydrophobicContact CD2-CE1 4.23Å; L66-F69 HydrophobicContact CD2-CE2 4.01Å; L66-F69 HydrophobicContact CD2-CG 4.48Å; L66-F69 HydrophobicContact CD2-CZ 4Å; A67-F69 VanDerWaalsContact C-N 3.31Å; F69-W71 HydrophobicContact CB-CZ2 3.67Å; F69-W71 HydrophobicContact CD1-CH2 4.05Å; F69-W71 AromaticContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CG-CZ2 4.09Å; F69-H90 CarbonylContact C-O 3.57Å; F69-H90 VanDerWaalsContact CA-O 3.29Å; F69-H90 WeakPolarHBondContact CA-O 3.26Å; F69-H90 VanDerWaalsContact CD1-C 3.44Å; F69-P91 HydrophobicContact CD2-CB 4.41Å; F69-P91 HydrophobicContact CD2-CG 4.37Å; F69-P91 HydrophobicContact CE1-CG 4.31Å; F69-P91 HydrophobicContact CE2-CB 4.12Å; F69-P91 HydrophobicContact CE2-CG 3.68Å; F69-P91 HydrophobicContact CZ-CG 3.64Å; F69-F99 HydrophobicContact CE1-CE1 4.44Å; F69-F99 HydrophobicContact CZ-CE1 4.47Å; F69-F99 HydrophobicContact CZ-CZ 4.28Å; F69-L104 HydrophobicContact CE1-CB 3.99Å; F69-L104 HydrophobicContact CE1-CD2 4.21Å
70S92.8Very high91.2Very high40 Ų4067.5 Ų67.528%0.2839%0.386SS..EExtended strand (participates in β ladder)trans-92.6136.1162.250.90000109.6G89 H90S70-G89 WeakPolarHBondContact O-CA 3.35Å; S70-H90 PolarHBondContact N-O 3.48Å; S70-H90 PolarHBondContact O-N 3.27Å; S70-H90 VanDerWaalsContact O-N 3.12Å; S70-H90 PolarHBondContact OG-CE1 3.1Å; S70-H90 PolarHBondContact OG-ND1 2.9Å; S70-H90 PolarHBondContact OG-NE2 3.47Å; S70-H90 PolarHBondContact OG-O 3.48Å
71W92.3Very high91.3Very high91 Ų9167.3 Ų67.335%0.34539%0.392SS..EExtended strand (participates in β ladder)trans-115.4139-176.1-59.891.6000110.4F69 F87 Q88 L104 F106F69-W71 HydrophobicContact CB-CZ2 3.67Å; F69-W71 HydrophobicContact CD1-CH2 4.05Å; F69-W71 AromaticContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CG-CZ2 4.09Å; W71-F87 HydrophobicContact CE3-CB 3.97Å; W71-F87 HydrophobicContact CZ3-CB 4.35Å; W71-F87 WeakPolarHBondContact CZ3-O 3.43Å; W71-Q88 WeakPolarHBondContact CA-O 3.18Å; W71-L104 HydrophobicContact CH2-CD2 4.48Å; W71-F106 AromaticContact CH2-CD2 3.63Å; W71-F106 HydrophobicContact CH2-CD2 3.63Å; W71-F106 AromaticContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CZ2-CE2 4.34Å; W71-F106 AromaticContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CE2 4.12Å
72N93.3Very high91.2Very high82 Ų8267 Ų6744%0.43940%0.397SS..  trans-64.5158.9173.3-70.9-12.5000111.1I74 Q88N72-I74 PolarHBondContact O-N 3.44Å; N72-Q88 PolarHBondContact N-O 3.1Å; N72-Q88 PolarHBondContact ND2-OE1 3.37Å
73N91.2Very high91.4Very high95 Ų9565 Ų6551%0.50838%0.381SS..  trans-67126.1175.9-169.4-16.9000110.2T75 D76N73-T75 PolarHBondContact O-N 2.82Å; N73-T75 WeakPolarHBondContact OD1-CB 3.14Å; N73-T75 PolarHBondContact OD1-N 2.99Å; N73-T75 PolarHBondContact OD1-OG1 3.47Å; N73-D76 PolarHBondContact O-N 3.46Å
74I88.9Confident91.5Very high76 Ų7662.2 Ų62.239%0.3936%0.363SS..G310 helixtrans-64.3-22.8178.862172.3000113.2N72 D76 S77 L78 F87N72-I74 PolarHBondContact O-N 3.44Å; I74-D76 PolarHBondContact O-N 2.94Å; I74-S77 PolarHBondContact O-N 2.03Å; I74-S77 VanDerWaalsContact O-N 3.12Å; I74-S77 PolarHBondContact O-OG 2.91Å; I74-L78 PolarHBondContact O-N 2.79Å; I74-F87 HydrophobicContact CG2-CD1 3.5Å; I74-F87 HydrophobicContact CG2-CE1 3.28Å; I74-F87 HydrophobicContact CG2-CG 4.26Å; I74-F87 HydrophobicContact CG2-CZ 3.85Å
75T89.1Confident91.7Very high98 Ų9861.6 Ų61.660%0.60136%0.363SS*.G310 helixtrans-61.8-31.4-177.2-47.60000111N73 S77N73-T75 PolarHBondContact O-N 2.82Å; N73-T75 WeakPolarHBondContact OD1-CB 3.14Å; N73-T75 PolarHBondContact OD1-N 2.99Å; N73-T75 PolarHBondContact OD1-OG1 3.47Å; T75-S77 VanDerWaalsContact C-N 3.32Å
76D88.4Confident91.9Very high138 Ų13861.4 Ų61.474%0.73836%0.36SS*.G310 helixtrans-77.1-20.7-178.4-55.7-33.1000112.5N73 I74N73-D76 PolarHBondContact O-N 3.46Å; I74-D76 PolarHBondContact O-N 2.94Å
77S91.1Very high92.1Very high36 Ų3664.7 Ų64.725%0.25237%0.374SS..THydrogen-bonded Turntrans-111.8-3.1-176.571.80000114.1I74 T75 D79 T86I74-S77 PolarHBondContact O-N 2.03Å; I74-S77 VanDerWaalsContact O-N 3.12Å; I74-S77 PolarHBondContact O-OG 2.91Å; T75-S77 VanDerWaalsContact C-N 3.32Å; S77-D79 PolarHBondContact O-N 2.8Å; S77-T86 PolarHBondContact OG-N 2.89Å; S77-T86 PolarHBondContact OG-O 3.27Å
78L94Very high92.5Very high66 Ų6665.6 Ų65.635%0.34637%0.369SS..  trans-71.7119.3178.3178.665.3000110.3L24 I74 A85L24-L78 HydrophobicContact CD2-CD1 3.46Å; L24-L78 VanDerWaalsContact CD2-CD1 3.46Å; I74-L78 PolarHBondContact O-N 2.79Å; L78-A85 HydrophobicContact CD1-CB 4.13Å
79D94.1Very high92.7Very high60 Ų6061.1 Ų61.132%0.32135%0.345SS..BIsolated β-bridgetrans-118.3101.4175.2179.43000110.4S77 A81 T82 L83 S84S77-D79 PolarHBondContact O-N 2.8Å; D79-A81 VanDerWaalsContact C-N 3.25Å; D79-A81 PolarHBondContact O-N 2.75Å; D79-A81 WeakPolarHBondContact OD1-CB 3.49Å; D79-A81 PolarHBondContact OD1-N 3.46Å; D79-T82 WeakPolarHBondContact CB-OG1 3Å; D79-T82 PolarHBondContact O-N 3.19Å; D79-T82 PolarHBondContact OD1-N 2.93Å; D79-T82 WeakPolarHBondContact OD2-CB 3.09Å; D79-T82 WeakPolarHBondContact OD2-CG2 3.33Å; D79-T82 PolarHBondContact OD2-OG1 2.89Å; D79-L83 WeakPolarHBondContact O-CA 3.3Å; D79-L83 PolarHBondContact O-N 2.84Å; D79-S84 PolarHBondContact N-O 2.83Å; D79-S84 PolarHBondContact O-N 3.25Å
80P92.8Very high92.8Very high85 Ų8564.4 Ų64.455%0.55236%0.361SS*.THydrogen-bonded Turntrans-65.5-24.7177.5-21.733.7000114
81A92.8Very high92.8Very high93 Ų9363.1 Ų63.177%0.76935%0.351SS*.THydrogen-bonded Turntrans-73.3-36.3-178.800000111.3D79D79-A81 VanDerWaalsContact C-N 3.25Å; D79-A81 PolarHBondContact O-N 2.75Å; D79-A81 WeakPolarHBondContact OD1-CB 3.49Å; D79-A81 PolarHBondContact OD1-N 3.46Å
82T90.6Very high92.8Very high55 Ų5564.5 Ų64.534%0.33736%0.363SS..THydrogen-bonded Turntrans-98.1-0.3176.8630000113.9D79 S84 Q109D79-T82 WeakPolarHBondContact CB-OG1 3Å; D79-T82 PolarHBondContact O-N 3.19Å; D79-T82 PolarHBondContact OD1-N 2.93Å; D79-T82 WeakPolarHBondContact OD2-CB 3.09Å; D79-T82 WeakPolarHBondContact OD2-CG2 3.33Å; D79-T82 PolarHBondContact OD2-OG1 2.89Å; T82-S84 VanDerWaalsContact C-N 3.26Å; T82-S84 PolarHBondContact O-N 2.77Å; T82-S84 PolarHBondContact OG1-OG 3.32Å; T82-Q109 PolarHBondContact O-NE2 2.81Å
83L94.6Very high92.7Very high46 Ų4667.1 Ų67.124%0.24138%0.377CS..THydrogen-bonded Turntrans52.343.9-174.7-58.7175.1000111.9L20 L24 D79 Q109 A110L20-L83 HydrophobicContact CD2-CD2 4.24Å; L24-L83 HydrophobicContact CD1-CD2 4.49Å; D79-L83 WeakPolarHBondContact O-CA 3.3Å; D79-L83 PolarHBondContact O-N 2.84Å; L83-Q109 WeakPolarHBondContact O-CA 3.28Å; L83-A110 HydrophobicContact CB-CB 4.24Å; L83-A110 PolarHBondContact O-N 3.31Å
84S94.7Very high92.8Very high8 Ų864.3 Ų64.36%0.05636%0.362CS..EExtended strand (participates in β ladder)trans-129.9154.1-175.573.70000113.8D79 T82 R107 V108D79-S84 PolarHBondContact N-O 2.83Å; D79-S84 PolarHBondContact O-N 3.25Å; T82-S84 VanDerWaalsContact C-N 3.26Å; T82-S84 PolarHBondContact O-N 2.77Å; T82-S84 PolarHBondContact OG1-OG 3.32Å; S84-R107 PolarHBondContact OG-NH2 3.08Å; S84-V108 CarbonylContact C-O 3.57Å; S84-V108 WeakPolarHBondContact CA-O 3.43Å; S84-V108 WeakPolarHBondContact CB-O 3.47Å
85A94.9Very high92.9Very high11 Ų1165.8 Ų65.89%0.09138%0.376CS..EExtended strand (participates in β ladder)trans-145.8150.6174.200000109.5L78 R107 V108L78-A85 HydrophobicContact CD1-CB 4.13Å; A85-R107 WeakPolarHBondContact O-CA 3.44Å; A85-V108 PolarHBondContact N-O 3.17Å; A85-V108 PolarHBondContact O-N 3.46Å
86T95.4Very high92.8Very high37 Ų3766 Ų6623%0.22738%0.378CS..EExtended strand (participates in β ladder)trans-126.2122-178.2-53.80000111.5S77 A105 F106 R107S77-T86 PolarHBondContact OG-N 2.89Å; S77-T86 PolarHBondContact OG-O 3.27Å; T86-A105 HydrophobicContact CG2-CB 4.05Å; T86-F106 WeakPolarHBondContact CA-O 3.46Å; T86-R107 HydrophobicContact CG2-CB 4.2Å
87F93.9Very high93Very high80 Ų8068.6 Ų68.635%0.35138%0.377SS..EExtended strand (participates in β ladder)trans-92.4103.4170.6-59.5-98.1000108.2W71 I74 A105 F106 V108W71-F87 HydrophobicContact CE3-CB 3.97Å; W71-F87 HydrophobicContact CZ3-CB 4.35Å; W71-F87 WeakPolarHBondContact CZ3-O 3.43Å; I74-F87 HydrophobicContact CG2-CD1 3.5Å; I74-F87 HydrophobicContact CG2-CE1 3.28Å; I74-F87 HydrophobicContact CG2-CG 4.26Å; I74-F87 HydrophobicContact CG2-CZ 3.85Å; F87-A105 CarbonylContact O-C 3.54Å; F87-A105 VanDerWaalsContact O-CA 3.29Å; F87-A105 WeakPolarHBondContact O-CA 3.38Å; F87-F106 HydrophobicContact CB-CB 4.29Å; F87-F106 PolarHBondContact N-O 2.95Å; F87-F106 PolarHBondContact O-N 3.08Å; F87-V108 HydrophobicContact CE2-CG2 4.35Å
88Q95.3Very high93.1Very high75 Ų7567.4 Ų67.435%0.3537%0.368SS..EExtended strand (participates in β ladder)trans-105.8133.5176.7-172.5178.725.500109.4W71 N72 S103 L104 A105W71-Q88 WeakPolarHBondContact CA-O 3.18Å; N72-Q88 PolarHBondContact N-O 3.1Å; N72-Q88 PolarHBondContact ND2-OE1 3.37Å; Q88-S103 PolarHBondContact NE2-OG 2.9Å; Q88-L104 WeakPolarHBondContact CA-O 3.21Å; Q88-A105 HydrophobicContact CB-CB 4.46Å; Q88-A105 HydrophobicContact CG-CB 4.42Å
89G93.6Very high93.1Very high1 Ų164.8 Ų64.81%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-151.6169.9-177.400000114S70 S103 L104S70-G89 WeakPolarHBondContact O-CA 3.35Å; G89-S103 WeakPolarHBondContact O-CA 3.18Å; G89-L104 PolarHBondContact N-O 3.04Å; G89-L104 PolarHBondContact O-N 3.44Å
90H94.4Very high93Very high80 Ų8065 Ų6537%0.3736%0.364SS..EExtended strand (participates in β ladder)trans-144159.4176.758.380.5000109.4F69 S70 F99F69-H90 CarbonylContact C-O 3.57Å; F69-H90 VanDerWaalsContact CA-O 3.29Å; F69-H90 WeakPolarHBondContact CA-O 3.26Å; F69-H90 VanDerWaalsContact CD1-C 3.44Å; S70-H90 PolarHBondContact N-O 3.48Å; S70-H90 PolarHBondContact O-N 3.27Å; S70-H90 VanDerWaalsContact O-N 3.12Å; S70-H90 PolarHBondContact OG-CE1 3.1Å; S70-H90 PolarHBondContact OG-ND1 2.9Å; S70-H90 PolarHBondContact OG-NE2 3.47Å; S70-H90 PolarHBondContact OG-O 3.48Å; H90-F99 HydrophobicContact CB-CB 4.2Å; H90-F99 HydrophobicContact CB-CD1 4.45Å
91P94.2Very high93.1Very high13 Ų1368.4 Ų68.48%0.08438%0.378CS..EExtended strand (participates in β ladder)trans-56.8140.5174.9-20.230.1000111.5Y64 F69 N93 D94 F99Y64-P91 HydrophobicContact CD1-CG 4.21Å; F69-P91 HydrophobicContact CD2-CB 4.41Å; F69-P91 HydrophobicContact CD2-CG 4.37Å; F69-P91 HydrophobicContact CE1-CG 4.31Å; F69-P91 HydrophobicContact CE2-CB 4.12Å; F69-P91 HydrophobicContact CE2-CG 3.68Å; F69-P91 HydrophobicContact CZ-CG 3.64Å; P91-N93 VanDerWaalsContact C-N 3.33Å; P91-D94 HydrophobicContact CB-CB 4.5Å; P91-F99 HydrophobicContact CG-CB 4.36Å; P91-F99 HydrophobicContact CG-CD1 4.47Å; P91-F99 HydrophobicContact CG-CD2 3.48Å; P91-F99 VanDerWaalsContact CG-CD2 3.48Å; P91-F99 HydrophobicContact CG-CE2 3.8Å; P91-F99 HydrophobicContact CG-CG 3.86Å; P91-F99 HydrophobicContact CG-CZ 4.43Å
92M91.9Very high93.2Very high120 Ų12064.4 Ų64.459%0.59135%0.346SS*.SBendtrans-69.3-32.8174.6-72.5-172.3-80.600112.2D68D68-M92 VanDerWaalsContact C-CE 3.45Å; D68-M92 HydrophobicContact CB-CE 4.33Å; D68-M92 WeakPolarHBondContact O-CB 3.42Å; D68-M92 WeakPolarHBondContact O-CG 3.15Å; D68-M92 PolarHBondContact O-N 3.22Å
93N91.5Very high93.5Very high136 Ų13662.5 Ų62.573%0.72734%0.335SS*.  trans-120.1106.8177.6-172.112.5000109.7P91P91-N93 VanDerWaalsContact C-N 3.33Å
94D91.5Very high93.6Very high37 Ų3760.3 Ų60.320%0.19832%0.323CS..  trans-129.672.6-178.1-177.523.8000110.9P91 T96 R97 T98 F99P91-D94 HydrophobicContact CB-CB 4.5Å; D94-T96 PolarHBondContact O-N 2.84Å; D94-T96 PolarHBondContact OD1-OG1 3.24Å; D94-R97 PolarHBondContact O-N 2.82Å; D94-R97 VanDerWaalsContact O-N 3.11Å; D94-R97 PolarHBondContact OD1-N 2.9Å; D94-R97 VanDerWaalsContact OD1-N 3.17Å; D94-R97 WeakPolarHBondContact OD2-CA 3.35Å; D94-T98 VanDerWaalsContact CG-N 3.31Å; D94-T98 PolarHBondContact OD1-N 3.48Å; D94-T98 PolarHBondContact OD2-N 3.26Å; D94-F99 WeakPolarHBondContact OD2-CA 3.41Å; D94-F99 PolarHBondContact OD2-N 2.84Å
95P91.1Very high93.6Very high106 Ų10660.5 Ų60.569%0.68833%0.325SS*.THydrogen-bonded Turntrans-66.7-28.1-175.827.9-34.5000112.3R97P95-R97 VanDerWaalsContact C-N 3.27Å
96T88.9Confident93.7Very high103 Ų10360.8 Ų60.863%0.63232%0.324SS*.THydrogen-bonded Turntrans-83.4-3.1177.850.60000112.9D94 T98D94-T96 PolarHBondContact O-N 2.84Å; D94-T96 PolarHBondContact OD1-OG1 3.24Å; T96-T98 PolarHBondContact O-N 3.2Å; T96-T98 PolarHBondContact OG1-OG1 3.35Å
97R91.7Very high93.7Very high192 Ų19262 Ų6273%0.72533%0.325SS*.  trans55.732-178.4-65.9-172.6178.3-177-0.5113D94 P95 F99 A100D94-R97 PolarHBondContact O-N 2.82Å; D94-R97 VanDerWaalsContact O-N 3.11Å; D94-R97 PolarHBondContact OD1-N 2.9Å; D94-R97 VanDerWaalsContact OD1-N 3.17Å; D94-R97 WeakPolarHBondContact OD2-CA 3.35Å; P95-R97 VanDerWaalsContact C-N 3.27Å; R97-F99 VanDerWaalsContact C-N 3.27Å; R97-F99 PolarHBondContact O-N 3.47Å; R97-A100 HydrophobicContact CB-CB 3.99Å; R97-A100 WeakPolarHBondContact O-CB 3.06Å; R97-A100 PolarHBondContact O-N 3.31Å
98T92.4Very high93.7Very high11 Ų1159.2 Ų59.27%0.06731%0.314CS..THydrogen-bonded Turntrans-61.5-37.3178.7-63.60000111.4Y64 D94 T96 A139 S140Y64-T98 WeakPolarHBondContact OH-CG2 3.45Å; D94-T98 VanDerWaalsContact CG-N 3.31Å; D94-T98 PolarHBondContact OD1-N 3.48Å; D94-T98 PolarHBondContact OD2-N 3.26Å; T96-T98 PolarHBondContact O-N 3.2Å; T96-T98 PolarHBondContact OG1-OG1 3.35Å; T98-A139 CarbonylContact O-C 3.52Å; T98-A139 WeakPolarHBondContact O-CA 3.19Å; T98-S140 WeakPolarHBondContact CG2-O 3.41Å; T98-S140 PolarHBondContact O-N 2.83Å
99F95.4Very high93.7Very high11 Ų1157.4 Ų57.45%0.04831%0.306CS..THydrogen-bonded Turntrans-103.717.9180-76.3-99.5000112.9L41 Y64 F69 H90 P91 D94 R97 N101 G102 L136 A139L41-F99 HydrophobicContact CD2-CZ 3.84Å; Y64-F99 AromaticContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CE1-CD2 4.23Å; Y64-F99 AromaticContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE2-CE2 4.33Å; Y64-F99 AromaticContact CZ-CE2 3.75Å; F69-F99 HydrophobicContact CE1-CE1 4.44Å; F69-F99 HydrophobicContact CZ-CE1 4.47Å; F69-F99 HydrophobicContact CZ-CZ 4.28Å; H90-F99 HydrophobicContact CB-CB 4.2Å; H90-F99 HydrophobicContact CB-CD1 4.45Å; P91-F99 HydrophobicContact CG-CB 4.36Å; P91-F99 HydrophobicContact CG-CD1 4.47Å; P91-F99 HydrophobicContact CG-CD2 3.48Å; P91-F99 VanDerWaalsContact CG-CD2 3.48Å; P91-F99 HydrophobicContact CG-CE2 3.8Å; P91-F99 HydrophobicContact CG-CG 3.86Å; P91-F99 HydrophobicContact CG-CZ 4.43Å; D94-F99 WeakPolarHBondContact OD2-CA 3.41Å; D94-F99 PolarHBondContact OD2-N 2.84Å; R97-F99 VanDerWaalsContact C-N 3.27Å; R97-F99 PolarHBondContact O-N 3.47Å; F99-N101 PolarHBondContact O-N 2.94Å; F99-G102 PolarHBondContact O-N 3.27Å; F99-L136 HydrophobicContact CE1-CD1 3.84Å; F99-L136 HydrophobicContact CZ-CD1 4.11Å; F99-A139 HydrophobicContact CD1-CB 3.99Å; F99-A139 HydrophobicContact CD2-CB 4.44Å; F99-A139 HydrophobicContact CE1-CB 3.76Å; F99-A139 HydrophobicContact CE2-CB 4.23Å; F99-A139 HydrophobicContact CG-CB 4.32Å; F99-A139 HydrophobicContact CZ-CB 3.89Å
100A92.3Very high93.7Very high65 Ų6557.8 Ų57.854%0.53731%0.309SS..THydrogen-bonded Turntrans-56.3-38-179.100000113.5R97R97-A100 HydrophobicContact CB-CB 3.99Å; R97-A100 WeakPolarHBondContact O-CB 3.06Å; R97-A100 PolarHBondContact O-N 3.31Å
101N93.3Very high93.7Very high156 Ų15655 Ų5583%0.83430%0.296SS*.THydrogen-bonded Turntrans-118.918.9171.2-66-24.3000111.5F99F99-N101 PolarHBondContact O-N 2.94Å
102G95.4Very high93.6Very high9 Ų958.8 Ų58.89%0.09332%0.323CS..  trans-113.5151.7-170.900000112.2F99 I137 G138F99-G102 PolarHBondContact O-N 3.27Å; G102-I137 CarbonylContact C-O 3.52Å; G102-I137 WeakPolarHBondContact CA-O 3.36Å; G102-G138 VanDerWaalsContact CA-C 3.45Å
103S96.5Very high93.6Very high15 Ų1561.5 Ų61.511%0.10533%0.326CS..EExtended strand (participates in β ladder)trans-149.6151.8172.963.20000111.6Q88 G89 I137Q88-S103 PolarHBondContact NE2-OG 2.9Å; G89-S103 WeakPolarHBondContact O-CA 3.18Å; S103-I137 PolarHBondContact N-O 3.21Å; S103-I137 PolarHBondContact O-N 2.79Å
104L96.7Very high93.7Very high1 Ų159 Ų591%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-105.1127.7165.1-178.965.8000107.9L66 F69 W71 Q88 G89 F106 V134 A135 L136L66-L104 HydrophobicContact CD1-CD2 4.34Å; L66-L104 HydrophobicContact CD2-CD2 3.43Å; L66-L104 VanDerWaalsContact CD2-CD2 3.43Å; F69-L104 HydrophobicContact CE1-CB 3.99Å; F69-L104 HydrophobicContact CE1-CD2 4.21Å; W71-L104 HydrophobicContact CH2-CD2 4.48Å; Q88-L104 WeakPolarHBondContact CA-O 3.21Å; G89-L104 PolarHBondContact N-O 3.04Å; G89-L104 PolarHBondContact O-N 3.44Å; L104-F106 HydrophobicContact CD2-CE2 3.69Å; L104-F106 HydrophobicContact CD2-CZ 3.83Å; L104-F106 HydrophobicContact CG-CE2 3.96Å; L104-F106 HydrophobicContact CG-CZ 4.22Å; L104-V134 HydrophobicContact CD1-CG1 3.84Å; L104-A135 CarbonylContact C-O 3.58Å; L104-A135 WeakPolarHBondContact CA-O 3.48Å; L104-L136 HydrophobicContact CB-CD1 4.48Å; L104-L136 HydrophobicContact CD1-CB 4.34Å; L104-L136 HydrophobicContact CD1-CD1 4.4Å
105A96.4Very high93.8Very high11 Ų1159.5 Ų59.59%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-120.7133.7179.800000111.1T86 F87 Q88 V134 A135T86-A105 HydrophobicContact CG2-CB 4.05Å; F87-A105 CarbonylContact O-C 3.54Å; F87-A105 VanDerWaalsContact O-CA 3.29Å; F87-A105 WeakPolarHBondContact O-CA 3.38Å; Q88-A105 HydrophobicContact CB-CB 4.46Å; Q88-A105 HydrophobicContact CG-CB 4.42Å; A105-V134 CarbonylContact O-C 3.51Å; A105-V134 WeakPolarHBondContact O-CA 3.41Å; A105-A135 HydrophobicContact CB-CB 4.49Å; A105-A135 PolarHBondContact N-O 3.38Å; A105-A135 PolarHBondContact O-N 2.91Å
106F95.6Very high93.8Very high18 Ų1856.6 Ų56.68%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-111.3104.9168.1-65.2-79.5000108.1T38 L66 W71 T86 F87 L104 L132 V134T38-F106 HydrophobicContact CG2-CE1 3.87Å; T38-F106 HydrophobicContact CG2-CZ 4.27Å; T38-F106 WeakPolarHBondContact OG1-CE1 3.28Å; T38-F106 VanDerWaalsContact OG1-CZ 3.3Å; T38-F106 WeakPolarHBondContact OG1-CZ 3.29Å; L66-F106 HydrophobicContact CD1-CE2 4.15Å; L66-F106 HydrophobicContact CD1-CZ 3.82Å; W71-F106 AromaticContact CH2-CD2 3.63Å; W71-F106 HydrophobicContact CH2-CD2 3.63Å; W71-F106 AromaticContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CZ2-CE2 4.34Å; W71-F106 AromaticContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CE2 4.12Å; T86-F106 WeakPolarHBondContact CA-O 3.46Å; F87-F106 HydrophobicContact CB-CB 4.29Å; F87-F106 PolarHBondContact N-O 2.95Å; F87-F106 PolarHBondContact O-N 3.08Å; L104-F106 HydrophobicContact CD2-CE2 3.69Å; L104-F106 HydrophobicContact CD2-CZ 3.83Å; L104-F106 HydrophobicContact CG-CE2 3.96Å; L104-F106 HydrophobicContact CG-CZ 4.22Å; F106-L132 HydrophobicContact CB-CD1 4.12Å; F106-L132 HydrophobicContact CD1-CD1 4.13Å; F106-L132 HydrophobicContact CD1-CD2 4.41Å; F106-V134 HydrophobicContact CD1-CB 4.35Å; F106-V134 HydrophobicContact CD1-CG1 3.98Å; F106-V134 HydrophobicContact CD1-CG2 3.71Å; F106-V134 HydrophobicContact CE1-CB 4.28Å; F106-V134 HydrophobicContact CE1-CG1 3.61Å; F106-V134 HydrophobicContact CE1-CG2 3.71Å; F106-V134 HydrophobicContact CZ-CG1 4.22Å
107R95.1Very high93.8Very high61 Ų6153.1 Ų53.123%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-95.8121.9175178.7173.6-177.9-85.3-9.4109.4S84 A85 T86 L132 E133S84-R107 PolarHBondContact OG-NH2 3.08Å; A85-R107 WeakPolarHBondContact O-CA 3.44Å; T86-R107 HydrophobicContact CG2-CB 4.2Å; R107-L132 CarbonylContact O-C 3.35Å; R107-L132 WeakPolarHBondContact O-CA 3.4Å; R107-E133 HydrophobicContact CB-CB 4.27Å; R107-E133 PolarHBondContact N-O 2.83Å; R107-E133 PolarHBondContact O-N 3.01Å
108V95Very high93.6Very high22 Ų2248.3 Ų48.313%0.13328%0.281CS..EExtended strand (participates in β ladder)trans-105.7133.3176.7179.90000108.5F31 S84 A85 F87 Q131 L132F31-V108 HydrophobicContact CD2-CG2 4.48Å; F31-V108 HydrophobicContact CE2-CB 4.4Å; F31-V108 HydrophobicContact CE2-CG1 3.76Å; F31-V108 HydrophobicContact CE2-CG2 3.69Å; F31-V108 HydrophobicContact CZ-CG2 4Å; S84-V108 CarbonylContact C-O 3.57Å; S84-V108 WeakPolarHBondContact CA-O 3.43Å; S84-V108 WeakPolarHBondContact CB-O 3.47Å; A85-V108 PolarHBondContact N-O 3.17Å; A85-V108 PolarHBondContact O-N 3.46Å; F87-V108 HydrophobicContact CE2-CG2 4.35Å; V108-Q131 CarbonylContact C-O 3.6Å; V108-Q131 WeakPolarHBondContact CA-O 3.38Å; V108-L132 HydrophobicContact CG2-CD1 4Å
109Q95.3Very high93.3Very high37 Ų3753.3 Ų53.317%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-136.4127.1176.6-17916619.900110.8T82 L83 F111 C130 Q131T82-Q109 PolarHBondContact O-NE2 2.81Å; L83-Q109 WeakPolarHBondContact O-CA 3.28Å; Q109-F111 HydrophobicContact CB-CZ 4.48Å; Q109-F111 HydrophobicContact CG-CE1 3.91Å; Q109-F111 HydrophobicContact CG-CZ 4.04Å; Q109-C130 CarbonylContact O-C 3.53Å; Q109-C130 VanDerWaalsContact O-CA 3.29Å; Q109-C130 WeakPolarHBondContact O-CA 2.9Å; Q109-Q131 PolarHBondContact N-O 3.06Å; Q109-Q131 PolarHBondContact O-N 3.33Å
110A94.1Very high92.9Very high10 Ų1054.8 Ų54.88%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-95.4164.3173.100000111.3F27 L83F27-A110 HydrophobicContact CB-CB 4.29Å; F27-A110 HydrophobicContact CG-CB 4.39Å; L83-A110 HydrophobicContact CB-CB 4.24Å; L83-A110 PolarHBondContact O-N 3.31Å
111F92.9Very high92.9Very high22 Ų2252 Ų5210%0.09629%0.291CS..  trans-132.5144.8-179.3-53.5-76.3000111.4Q109 H125 A127 Q131 L269Q109-F111 HydrophobicContact CB-CZ 4.48Å; Q109-F111 HydrophobicContact CG-CE1 3.91Å; Q109-F111 HydrophobicContact CG-CZ 4.04Å; F111-H125 AromaticContact CD1-CD2 3.32Å; F111-H125 WeakPolarHBondContact CD1-CD2 3.16Å; F111-H125 AromaticContact CD1-CE1 3.64Å; F111-H125 AromaticContact CD1-CG 3.71Å; F111-H125 AromaticContact CD1-ND1 3.9Å; F111-H125 AromaticContact CD1-NE2 3.29Å; F111-H125 VanDerWaalsContact CD1-NE2 3.29Å; F111-H125 WeakPolarHBondContact CD1-NE2 3.39Å; F111-H125 HydrophobicContact CD2-CB 3.42Å; F111-H125 VanDerWaalsContact CD2-CB 3.42Å; F111-H125 AromaticContact CD2-CD2 3.71Å; F111-H125 AromaticContact CD2-CG 3.53Å; F111-H125 AromaticContact CE1-CD2 3.88Å; F111-H125 AromaticContact CE1-CE1 3.5Å; F111-H125 AromaticContact CE1-CG 3.84Å; F111-H125 AromaticContact CE1-ND1 3.62Å; F111-H125 AromaticContact CE1-NE2 3.69Å; F111-H125 HydrophobicContact CE2-CB 3.54Å; F111-H125 AromaticContact CE2-CG 3.66Å; F111-H125 AromaticContact CE2-ND1 3.95Å; F111-H125 HydrophobicContact CG-CB 3.93Å; F111-H125 AromaticContact CG-CD2 3.21Å; F111-H125 WeakPolarHBondContact CG-CD2 3.24Å; F111-H125 AromaticContact CG-CG 3.54Å; F111-H125 AromaticContact CG-NE2 3.74Å; F111-H125 HydrophobicContact CZ-CB 4.16Å; F111-H125 AromaticContact CZ-CG 3.81Å; F111-H125 AromaticContact CZ-ND1 3.64Å; F111-A127 WeakPolarHBondContact O-CA 3.46Å; F111-Q131 HydrophobicContact CE2-CB 3.7Å; F111-Q131 HydrophobicContact CZ-CB 3.77Å; F111-L269 HydrophobicContact CE2-CD2 4.27Å
112S92.3Very high92.8Very high91 Ų9148 Ų4864%0.63626%0.264SS*.SBendtrans-99.2-10.217855.10000113.6
113R92.8Very high92.6Very high178 Ų17847.8 Ų47.867%0.67226%0.261SS*.SBendtrans-154.4163.2-176.663.5177.9-178.8-114.61110.7H125R113-H125 PolarHBondContact O-CD2 2.83Å
114S93.7Very high92.5Very high82 Ų8248.9 Ų48.957%0.57327%0.265SS*.  trans-74.2129.8173.9-48.40000111.8H125S114-H125 WeakPolarHBondContact CA-O 3.29Å
115S92.6Very high92.4Very high48 Ų4849.3 Ų49.334%0.33627%0.267SS..BIsolated β-bridgetrans-168.3177.6-178171.20000110.4H125S115-H125 VanDerWaalsContact C-CE1 3.44Å; S115-H125 VanDerWaalsContact CB-NE2 3.34Å; S115-H125 WeakPolarHBondContact CB-NE2 3.23Å; S115-H125 PolarHBondContact N-O 2.65Å; S115-H125 VanDerWaalsContact N-O 3.17Å; S115-H125 PolarHBondContact O-CD2 2.86Å; S115-H125 PolarHBondContact O-CE1 3.17Å; S115-H125 VanDerWaalsContact O-CE1 3.22Å; S115-H125 PolarHBondContact O-N 2.88Å; S115-H125 PolarHBondContact O-ND1 3.45Å; S115-H125 VanDerWaalsContact O-ND1 3.17Å; S115-H125 PolarHBondContact O-NE2 3.05Å
116R91.1Very high92.3Very high46 Ų4649.9 Ų49.917%0.17427%0.27CS..  trans-120.1141.8169.6-67.5-174.2-171.2-82.3-3.4110.8R122 L124 Y174 D278R116-R122 PolarHBondContact NH1-O 3.08Å; R116-L124 HydrophobicContact CG-CD1 3.92Å; R116-Y174 VanDerWaalsContact CZ-CD2 3.5Å; R116-D278 IonicContact CZ-OD1 3.9Å; R116-D278 IonicContact NH1-OD1 2.74Å; R116-D278 PolarHBondContact NH1-OD1 2.82Å; R116-D278 IonicContact NH2-OD1 3.71Å; R116-D278 PolarHBondContact NH2-OD1 2.86Å
117P89.8Confident92.1Very high29 Ų2950.8 Ų50.819%0.18828%0.28CS..  trans-62.5155.5167.8-20.233000111.8Q119 R122 L123P117-Q119 VanDerWaalsContact C-N 3.34Å; P117-R122 WeakPolarHBondContact O-CG 3.32Å; P117-R122 PolarHBondContact O-NE 2.99Å; P117-R122 VanDerWaalsContact O-NE 3.09Å; P117-L123 WeakPolarHBondContact CD-O 3.47Å
118A86.4Confident91.9Very high91 Ų9152.6 Ų52.675%0.75230%0.295SS*.SBendtrans-72.1-32.117000000111.7
119Q86.5Confident91.8Very high116 Ų11651.7 Ų51.754%0.54229%0.289SS..SBendtrans-86.6140.3-176.6-66.6-177.6-4.800111.8P117 R122P117-Q119 VanDerWaalsContact C-N 3.34Å; Q119-R122 VanDerWaalsContact O-CG 3.27Å; Q119-R122 WeakPolarHBondContact O-CG 3.03Å; Q119-R122 PolarHBondContact O-N 3.25Å; Q119-R122 VanDerWaalsContact O-N 3.14Å
120P88.3Confident91.8Very high43 Ų4350 Ų5028%0.27928%0.281SS..THydrogen-bonded Turntrans-54.2146.6170.1-26.337.3000112.4Y201 G206P120-Y201 HydrophobicContact CB-CE1 4.21Å; P120-Y201 HydrophobicContact CB-CE2 3.93Å; P120-Y201 VanDerWaalsContact CB-OH 3.25Å; P120-Y201 WeakPolarHBondContact CB-OH 3.3Å; P120-G206 WeakPolarHBondContact CG-O 3.44Å
121P90.9Very high91.9Very high5 Ų550.3 Ų50.33%0.03228%0.281CS..THydrogen-bonded Turncis-86.617.17.432.5-32.9000115.7L123 R197 V199 Y201P121-L123 HydrophobicContact CG-CD1 4.21Å; P121-L123 HydrophobicContact CG-CG 4.12Å; P121-L123 PolarHBondContact O-N 2.97Å; P121-L123 VanDerWaalsContact O-N 3.1Å; P121-R197 HydrophobicContact CB-CB 4.29Å; P121-R197 HydrophobicContact CB-CG 4.41Å; P121-R197 PolarHBondContact O-NE 3.36Å; P121-V199 HydrophobicContact CB-CG1 4.12Å; P121-Y201 HydrophobicContact CB-CE2 4.35Å
122R91.3Very high92Very high73 Ų7349.5 Ų49.528%0.27528%0.278SS..  trans46.442.3175.6-48.9-177.171.2-1682114.5R116 P117 Q119 L124 Y174R116-R122 PolarHBondContact NH1-O 3.08Å; P117-R122 WeakPolarHBondContact O-CG 3.32Å; P117-R122 PolarHBondContact O-NE 2.99Å; P117-R122 VanDerWaalsContact O-NE 3.09Å; Q119-R122 VanDerWaalsContact O-CG 3.27Å; Q119-R122 WeakPolarHBondContact O-CG 3.03Å; Q119-R122 PolarHBondContact O-N 3.25Å; Q119-R122 VanDerWaalsContact O-N 3.14Å; R122-L124 PolarHBondContact O-N 2.8Å; R122-Y174 VanDerWaalsContact CB-O 3.3Å; R122-Y174 WeakPolarHBondContact CB-O 3.42Å; R122-Y174 WeakPolarHBondContact CD-O 3.36Å; R122-Y174 WeakPolarHBondContact CG-O 3.1Å
123L92.6Very high92.2Very high4 Ų446.5 Ų46.52%0.02125%0.254CS..  trans-56134.6176.3-68.8167.3000110.4P117 P121 H125 L181 R197 L269P117-L123 WeakPolarHBondContact CD-O 3.47Å; P121-L123 HydrophobicContact CG-CD1 4.21Å; P121-L123 HydrophobicContact CG-CG 4.12Å; P121-L123 PolarHBondContact O-N 2.97Å; P121-L123 VanDerWaalsContact O-N 3.1Å; L123-H125 PolarHBondContact O-N 2.75Å; L123-L181 HydrophobicContact CD2-CD1 3.59Å; L123-R197 HydrophobicContact CD2-CG 3.89Å; L123-L269 HydrophobicContact CB-CD1 3.75Å; L123-L269 HydrophobicContact CB-CG 3.97Å; L123-L269 HydrophobicContact CD1-CG 4.07Å
124L94Very high92.3Very high38 Ų3838.4 Ų38.420%0.19922%0.224CC..  trans-71.2117.2175.1-176.564.8000108.7R116 R122 L269 P276 V277R116-L124 HydrophobicContact CG-CD1 3.92Å; R122-L124 PolarHBondContact O-N 2.8Å; L124-L269 WeakPolarHBondContact O-CD1 3.33Å; L124-P276 HydrophobicContact CB-CB 4.21Å; L124-P276 HydrophobicContact CD2-CB 4.09Å; L124-P276 HydrophobicContact CG-CB 4.1Å; L124-P276 VanDerWaalsContact O-CB 3.25Å; L124-P276 WeakPolarHBondContact O-CB 3.17Å; L124-P276 VanDerWaalsContact O-CG 3.29Å; L124-P276 WeakPolarHBondContact O-CG 3.36Å; L124-V277 WeakPolarHBondContact CD2-O 3.41Å
125H93.8Very high92.5Very high10 Ų1034.9 Ų34.95%0.04620%0.2CC..BIsolated β-bridgetrans-105.8160.4175.153.9-100.3000111.1F111 R113 S114 S115 L123 T129 L269F111-H125 AromaticContact CD1-CD2 3.32Å; F111-H125 WeakPolarHBondContact CD1-CD2 3.16Å; F111-H125 AromaticContact CD1-CE1 3.64Å; F111-H125 AromaticContact CD1-CG 3.71Å; F111-H125 AromaticContact CD1-ND1 3.9Å; F111-H125 AromaticContact CD1-NE2 3.29Å; F111-H125 VanDerWaalsContact CD1-NE2 3.29Å; F111-H125 WeakPolarHBondContact CD1-NE2 3.39Å; F111-H125 HydrophobicContact CD2-CB 3.42Å; F111-H125 VanDerWaalsContact CD2-CB 3.42Å; F111-H125 AromaticContact CD2-CD2 3.71Å; F111-H125 AromaticContact CD2-CG 3.53Å; F111-H125 AromaticContact CE1-CD2 3.88Å; F111-H125 AromaticContact CE1-CE1 3.5Å; F111-H125 AromaticContact CE1-CG 3.84Å; F111-H125 AromaticContact CE1-ND1 3.62Å; F111-H125 AromaticContact CE1-NE2 3.69Å; F111-H125 HydrophobicContact CE2-CB 3.54Å; F111-H125 AromaticContact CE2-CG 3.66Å; F111-H125 AromaticContact CE2-ND1 3.95Å; F111-H125 HydrophobicContact CG-CB 3.93Å; F111-H125 AromaticContact CG-CD2 3.21Å; F111-H125 WeakPolarHBondContact CG-CD2 3.24Å; F111-H125 AromaticContact CG-CG 3.54Å; F111-H125 AromaticContact CG-NE2 3.74Å; F111-H125 HydrophobicContact CZ-CB 4.16Å; F111-H125 AromaticContact CZ-CG 3.81Å; F111-H125 AromaticContact CZ-ND1 3.64Å; R113-H125 PolarHBondContact O-CD2 2.83Å; S114-H125 WeakPolarHBondContact CA-O 3.29Å; S115-H125 VanDerWaalsContact C-CE1 3.44Å; S115-H125 VanDerWaalsContact CB-NE2 3.34Å; S115-H125 WeakPolarHBondContact CB-NE2 3.23Å; S115-H125 PolarHBondContact N-O 2.65Å; S115-H125 VanDerWaalsContact N-O 3.17Å; S115-H125 PolarHBondContact O-CD2 2.86Å; S115-H125 PolarHBondContact O-CE1 3.17Å; S115-H125 VanDerWaalsContact O-CE1 3.22Å; S115-H125 PolarHBondContact O-N 2.88Å; S115-H125 PolarHBondContact O-ND1 3.45Å; S115-H125 VanDerWaalsContact O-ND1 3.17Å; S115-H125 PolarHBondContact O-NE2 3.05Å; L123-H125 PolarHBondContact O-N 2.75Å; H125-T129 WeakPolarHBondContact CB-OG1 3.46Å; H125-L269 HydrophobicContact CB-CD2 4.13Å
126T93.5Very high92.7Very high24 Ų2432.8 Ų32.815%0.14719%0.185CC..  trans-127.9176.5170.767.40000109.7D128 T129 P276T126-D128 PolarHBondContact O-N 3Å; T126-D128 PolarHBondContact OG1-N 3.5Å; T126-T129 PolarHBondContact N-OG1 2.74Å; T126-T129 PolarHBondContact O-N 3.26Å; T126-T129 PolarHBondContact O-OG1 2.81Å; T126-P276 HydrophobicContact CG2-CB 4.32Å; T126-P276 HydrophobicContact CG2-CG 4.03Å
127A92.4Very high93Very high36 Ų3633.9 Ų33.930%0.29819%0.193SC..THydrogen-bonded Turntrans-64.6-16.3174.300000113.7F111 T129F111-A127 WeakPolarHBondContact O-CA 3.46Å; A127-T129 VanDerWaalsContact C-N 3.3Å
128D91.6Very high93.3Very high100 Ų10033.6 Ų33.654%0.53520%0.196SC..THydrogen-bonded Turntrans-92.68.8-178.7-51.6-46.5000112.5T126 G271 V272T126-D128 PolarHBondContact O-N 3Å; T126-D128 PolarHBondContact OG1-N 3.5Å; D128-G271 WeakPolarHBondContact O-CA 2.92Å; D128-V272 PolarHBondContact O-N 2.87Å
129T93.1Very high93.8Very high2 Ų229.3 Ų29.31%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-125.6152.9-174.861.40000112.8H125 T126 A127 F193 L270 P276H125-T129 WeakPolarHBondContact CB-OG1 3.46Å; T126-T129 PolarHBondContact N-OG1 2.74Å; T126-T129 PolarHBondContact O-N 3.26Å; T126-T129 PolarHBondContact O-OG1 2.81Å; A127-T129 VanDerWaalsContact C-N 3.3Å; T129-F193 HydrophobicContact CG2-CE2 3.92Å; T129-F193 HydrophobicContact CG2-CZ 3.62Å; T129-L270 CarbonylContact C-O 3.57Å; T129-L270 VanDerWaalsContact CA-O 3.26Å; T129-L270 WeakPolarHBondContact CA-O 3.08Å; T129-P276 HydrophobicContact CG2-CG 3.99Å
130C94.5Very high94.2Very high1 Ų126.8 Ų26.81%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-123.1143164.6-69.20000108.9F27 Q109 L269 L270F27-C130 PolarHBondContact O-SG 3.33Å; Q109-C130 CarbonylContact O-C 3.53Å; Q109-C130 VanDerWaalsContact O-CA 3.29Å; Q109-C130 WeakPolarHBondContact O-CA 2.9Å; C130-L269 CarbonylContact O-C 3.58Å; C130-L269 WeakPolarHBondContact O-CA 3.34Å; C130-L270 PolarHBondContact N-O 3.42Å; C130-L270 PolarHBondContact O-N 3.34Å
131Q95.3Very high94.5Very high17 Ų1726.4 Ų26.48%0.07915%0.154CC..EExtended strand (participates in β ladder)trans-96.1130.1172.4-172173.4-39.300109.9V108 Q109 F111 M268 L269V108-Q131 CarbonylContact C-O 3.6Å; V108-Q131 WeakPolarHBondContact CA-O 3.38Å; Q109-Q131 PolarHBondContact N-O 3.06Å; Q109-Q131 PolarHBondContact O-N 3.33Å; F111-Q131 HydrophobicContact CE2-CB 3.7Å; F111-Q131 HydrophobicContact CZ-CB 3.77Å; Q131-M268 CarbonylContact C-O 3.53Å; Q131-M268 WeakPolarHBondContact CA-O 3.22Å; Q131-L269 HydrophobicContact CB-CD2 3.76Å; Q131-L269 HydrophobicContact CG-CD2 4.15Å
132L95.6Very high94.6Very high6 Ų630.2 Ų30.23%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-100124.8164.4-177.468.5000108.6F31 F106 R107 V108 V134 S267 M268 L270F31-L132 HydrophobicContact CE1-CB 4.35Å; F31-L132 HydrophobicContact CE1-CD1 4.1Å; F31-L132 HydrophobicContact CE1-CD2 4.03Å; F31-L132 HydrophobicContact CE1-CG 4.39Å; F31-L132 HydrophobicContact CZ-CB 3.98Å; F31-L132 HydrophobicContact CZ-CD1 3.87Å; F31-L132 HydrophobicContact CZ-CD2 4.44Å; F31-L132 HydrophobicContact CZ-CG 4.31Å; F106-L132 HydrophobicContact CB-CD1 4.12Å; F106-L132 HydrophobicContact CD1-CD1 4.13Å; F106-L132 HydrophobicContact CD1-CD2 4.41Å; R107-L132 CarbonylContact O-C 3.35Å; R107-L132 WeakPolarHBondContact O-CA 3.4Å; V108-L132 HydrophobicContact CG2-CD1 4Å; L132-V134 HydrophobicContact CD2-CG2 3.87Å; L132-V134 HydrophobicContact CG-CG2 4.02Å; L132-S267 CarbonylContact O-C 3.57Å; L132-S267 WeakPolarHBondContact O-CA 3.33Å; L132-M268 HydrophobicContact CB-CG 3.88Å; L132-M268 HydrophobicContact CD2-CE 3.79Å; L132-M268 HydrophobicContact CD2-CG 4.27Å; L132-M268 HydrophobicContact CD2-SD 4.25Å; L132-M268 PolarHBondContact N-O 2.54Å; L132-M268 PolarHBondContact O-N 2.8Å; L132-L270 HydrophobicContact CB-CD1 3.83Å
133E95.6Very high94.5Very high28 Ų2827.3 Ų27.313%0.13116%0.16CC..EExtended strand (participates in β ladder)trans-110.1126.9164.8-178.9-176.817800108.6R107 S265 W266R107-E133 HydrophobicContact CB-CB 4.27Å; R107-E133 PolarHBondContact N-O 2.83Å; R107-E133 PolarHBondContact O-N 3.01Å; E133-S265 PolarHBondContact OE1-OG 3.05Å; E133-W266 CarbonylContact C-O 3.52Å; E133-W266 WeakPolarHBondContact CA-O 3.32Å
134V96.3Very high94.2Very high7 Ų734.3 Ų34.34%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-107.4124.3175.2-168.40000108.5L104 A105 F106 L132 L150 S265 W266L104-V134 HydrophobicContact CD1-CG1 3.84Å; A105-V134 CarbonylContact O-C 3.51Å; A105-V134 WeakPolarHBondContact O-CA 3.41Å; F106-V134 HydrophobicContact CD1-CB 4.35Å; F106-V134 HydrophobicContact CD1-CG1 3.98Å; F106-V134 HydrophobicContact CD1-CG2 3.71Å; F106-V134 HydrophobicContact CE1-CB 4.28Å; F106-V134 HydrophobicContact CE1-CG1 3.61Å; F106-V134 HydrophobicContact CE1-CG2 3.71Å; F106-V134 HydrophobicContact CZ-CG1 4.22Å; L132-V134 HydrophobicContact CD2-CG2 3.87Å; L132-V134 HydrophobicContact CG-CG2 4.02Å; V134-L150 HydrophobicContact CB-CD1 4.12Å; V134-L150 HydrophobicContact CG1-CD1 3.74Å; V134-L150 HydrophobicContact CG2-CD1 4.12Å; V134-S265 CarbonylContact O-C 3.5Å; V134-S265 VanDerWaalsContact O-CA 3.3Å; V134-S265 WeakPolarHBondContact O-CA 3.2Å; V134-W266 HydrophobicContact CB-CE3 4.37Å; V134-W266 HydrophobicContact CG2-CE3 3.91Å; V134-W266 HydrophobicContact CG2-CZ3 4.18Å; V134-W266 PolarHBondContact N-O 2.81Å; V134-W266 PolarHBondContact O-N 2.82Å
135A96.9Very high93.8Very high9 Ų937.8 Ų37.87%0.07421%0.208CC..EExtended strand (participates in β ladder)trans-126.6124178.400000111.6L104 A105 I137 L264L104-A135 CarbonylContact C-O 3.58Å; L104-A135 WeakPolarHBondContact CA-O 3.48Å; A105-A135 HydrophobicContact CB-CB 4.49Å; A105-A135 PolarHBondContact N-O 3.38Å; A105-A135 PolarHBondContact O-N 2.91Å; A135-I137 HydrophobicContact CB-CD1 4.22Å; A135-I137 HydrophobicContact CB-CG1 4.21Å; A135-L264 CarbonylContact C-O 3.5Å; A135-L264 WeakPolarHBondContact CA-O 3.19Å
136L97.7Very high93.7Very high3 Ų337.4 Ų37.42%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-102123.1167.3-179.568.2000108L41 F99 L104 A139 F148 Y258 Y263 L264L41-L136 HydrophobicContact CD1-CD2 4.45Å; L41-L136 HydrophobicContact CD2-CD1 4.08Å; L41-L136 HydrophobicContact CD2-CD2 4.39Å; F99-L136 HydrophobicContact CE1-CD1 3.84Å; F99-L136 HydrophobicContact CZ-CD1 4.11Å; L104-L136 HydrophobicContact CB-CD1 4.48Å; L104-L136 HydrophobicContact CD1-CB 4.34Å; L104-L136 HydrophobicContact CD1-CD1 4.4Å; L136-A139 HydrophobicContact CD1-CB 3.92Å; L136-A139 HydrophobicContact CG-CB 4.42Å; L136-F148 HydrophobicContact CD2-CB 4.38Å; L136-F148 HydrophobicContact CD2-CD1 3.51Å; L136-F148 HydrophobicContact CD2-CD2 4.07Å; L136-F148 HydrophobicContact CD2-CE1 3.69Å; L136-F148 HydrophobicContact CD2-CE2 4.26Å; L136-F148 HydrophobicContact CD2-CG 3.7Å; L136-F148 HydrophobicContact CD2-CZ 4.07Å; L136-Y258 HydrophobicContact CB-CE2 4.23Å; L136-Y258 HydrophobicContact CD2-CD2 4.29Å; L136-Y258 HydrophobicContact CD2-CE2 3.71Å; L136-Y258 HydrophobicContact CG-CE2 3.76Å; L136-Y263 CarbonylContact O-C 3.03Å; L136-Y263 WeakPolarHBondContact O-CA 3.39Å; L136-L264 HydrophobicContact CB-CB 4.32Å; L136-L264 PolarHBondContact N-O 3.15Å; L136-L264 PolarHBondContact O-N 2.85Å
137I97.3Very high93.7Very high69 Ų6936.6 Ų36.635%0.35420%0.201SC..EExtended strand (participates in β ladder)trans-133.8127-171.9-51.5177.1000108.8G102 S103 A135 A139 H262 Y263G102-I137 CarbonylContact C-O 3.52Å; G102-I137 WeakPolarHBondContact CA-O 3.36Å; S103-I137 PolarHBondContact N-O 3.21Å; S103-I137 PolarHBondContact O-N 2.79Å; A135-I137 HydrophobicContact CB-CD1 4.22Å; A135-I137 HydrophobicContact CB-CG1 4.21Å; I137-A139 PolarHBondContact O-N 2.9Å; I137-A139 VanDerWaalsContact O-N 3.12Å; I137-H262 CarbonylContact C-O 3.41Å; I137-H262 WeakPolarHBondContact CA-O 3.29Å; I137-Y263 HydrophobicContact CD1-CD2 4.31Å; I137-Y263 HydrophobicContact CD1-CE2 4.01Å; I137-Y263 HydrophobicContact CG1-CD2 3.83Å; I137-Y263 HydrophobicContact CG1-CE2 3.94Å; I137-Y263 HydrophobicContact CG2-CD2 4.44Å
138G96.3Very high93.9Very high24 Ų2435.1 Ų35.125%0.24719%0.188CC..SBendtrans72.10166.200000116.5G102 H262G102-G138 VanDerWaalsContact CA-C 3.45Å; G138-H262 PolarHBondContact N-O 3.49Å
139A96.2Very high94Very high1 Ų130.3 Ų30.31%0.00816%0.162CC..PPolyproline II helixtrans-70131.317500000110.3T98 F99 L136 I137 Y258T98-A139 CarbonylContact O-C 3.52Å; T98-A139 WeakPolarHBondContact O-CA 3.19Å; F99-A139 HydrophobicContact CD1-CB 3.99Å; F99-A139 HydrophobicContact CD2-CB 4.44Å; F99-A139 HydrophobicContact CE1-CB 3.76Å; F99-A139 HydrophobicContact CE2-CB 4.23Å; F99-A139 HydrophobicContact CG-CB 4.32Å; F99-A139 HydrophobicContact CZ-CB 3.89Å; L136-A139 HydrophobicContact CD1-CB 3.92Å; L136-A139 HydrophobicContact CG-CB 4.42Å; I137-A139 PolarHBondContact O-N 2.9Å; I137-A139 VanDerWaalsContact O-N 3.12Å; A139-Y258 WeakPolarHBondContact CA-OH 3.26Å; A139-Y258 WeakPolarHBondContact CB-OH 3.5Å; A139-Y258 PolarHBondContact N-OH 2.76Å; A139-Y258 VanDerWaalsContact O-CE1 3.23Å; A139-Y258 WeakPolarHBondContact O-CE1 3.23Å; A139-Y258 PolarHBondContact O-OH 2.79Å
140S95.9Very high94.1Very high63 Ų6330.4 Ų30.444%0.44116%0.162SC..PPolyproline II helixtrans-76.1119-179.3-62.60000110.7T98T98-S140 WeakPolarHBondContact CG2-O 3.41Å; T98-S140 PolarHBondContact O-N 2.83Å
141P94.1Very high93.9Very high35 Ų3531.9 Ų31.923%0.22717%0.17CC..PPolyproline II helixtrans-65.4148.8179.528.6-34.4000111.2E43 G143 F148E43-P141 WeakPolarHBondContact OE1-CA 3.43Å; P141-G143 VanDerWaalsContact C-N 3.34Å; P141-F148 HydrophobicContact CB-CE2 4.33Å; P141-F148 HydrophobicContact CB-CZ 4.28Å
142R92.9Very high93.6Very high85 Ų8531.1 Ų31.132%0.32117%0.166SC..SBendtrans-76.8-24.3179.1-62.3178.8-163.1178.68.7112.4E43 Y61 P62 Y64E43-R142 PolarHBondContact OE1-N 3.49Å; E43-R142 VanDerWaalsContact OE2-CD 3.29Å; E43-R142 WeakPolarHBondContact OE2-CD 3.3Å; E43-R142 WeakPolarHBondContact OE2-CG 3.43Å; E43-R142 IonicContact OE2-CZ 2.65Å; E43-R142 IonicContact OE2-NE 2.86Å; E43-R142 PolarHBondContact OE2-NE 2.79Å; Y61-R142 HydrophobicContact CD1-CB 4.1Å; Y61-R142 HydrophobicContact CD2-CB 4.46Å; Y61-R142 HydrophobicContact CE1-CB 3.91Å; Y61-R142 HydrophobicContact CE2-CB 4.29Å; Y61-R142 HydrophobicContact CG-CB 4.37Å; P62-R142 VanDerWaalsContact CD-NH1 3.34Å; P62-R142 VanDerWaalsContact O-CZ 3.24Å; P62-R142 PolarHBondContact O-NH1 2.88Å; P62-R142 PolarHBondContact O-NH2 3.43Å; Y64-R142 PolarHBondContact OH-NE 3.18Å; Y64-R142 PolarHBondContact OH-NH2 2.78Å
143G88.4Confident93.1Very high12 Ų1230.9 Ų30.912%0.12417%0.165CC..SBendtrans-129.5162.9175.700000113.5P141 R145 S146P141-G143 VanDerWaalsContact C-N 3.34Å; G143-R145 VanDerWaalsContact C-N 3.29Å; G143-R145 PolarHBondContact O-N 3.14Å; G143-S146 VanDerWaalsContact C-OG 3.31Å; G143-S146 WeakPolarHBondContact CA-OG 3.34Å; G143-S146 PolarHBondContact N-OG 3.39Å; G143-S146 PolarHBondContact O-OG 3.48Å
144N86.8Confident92.6Very high150 Ų15029.5 Ų29.580%0.80216%0.158SC*.THydrogen-bonded Turntrans-65.3-29-177.2-67.1-9.6000113.8
145R86.6Confident91.9Very high111 Ų11130.3 Ų30.342%0.41916%0.162SC..THydrogen-bonded Turntrans-125.360.9177.7-64-165.2-179.6-1724.4110.6S46 T47 G143 S253 W259S46-R145 PolarHBondContact N-O 2.83Å; S46-R145 WeakPolarHBondContact OG-CB 3.18Å; S46-R145 PolarHBondContact OG-O 3.27Å; T47-R145 HydrophobicContact CG2-CB 4.16Å; T47-R145 HydrophobicContact CG2-CG 4.32Å; G143-R145 VanDerWaalsContact C-N 3.29Å; G143-R145 PolarHBondContact O-N 3.14Å; R145-S253 PolarHBondContact NH1-O 3.38Å; R145-S253 VanDerWaalsContact NH1-O 3.1Å; R145-W259 HydrophobicContact CB-CZ3 4.46Å
146S91.6Very high91Very high2 Ų230.4 Ų30.41%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-81.3124.6-178.5-58.30000111E43 F44 G143E43-S146 WeakPolarHBondContact OE1-CB 3.32Å; E43-S146 PolarHBondContact OE1-OG 3.35Å; F44-S146 CarbonylContact O-C 3.57Å; F44-S146 WeakPolarHBondContact O-CA 3.01Å; G143-S146 VanDerWaalsContact C-OG 3.31Å; G143-S146 WeakPolarHBondContact CA-OG 3.34Å; G143-S146 PolarHBondContact N-OG 3.39Å; G143-S146 PolarHBondContact O-OG 3.48Å
147L93.6Very high89.8Confident7 Ų737.2 Ų37.24%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-98.2130.4169-63.6178.5000108.7E43 F44 W259E43-L147 CarbonylContact C-O 3.58Å; E43-L147 VanDerWaalsContact CA-O 3.32Å; E43-L147 WeakPolarHBondContact CA-O 3.31Å; F44-L147 HydrophobicContact CB-CB 4.46Å; F44-L147 PolarHBondContact N-O 3.37Å; F44-L147 PolarHBondContact O-N 3.45Å; L147-W259 HydrophobicContact CD2-CH2 4.09Å; L147-W259 HydrophobicContact CD2-CZ3 3.86Å
148F95.4Very high88.7Confident5 Ų535.2 Ų35.22%0.02219%0.192CC..EExtended strand (participates in β ladder)trans-96.6156.8177.8-72.2-88.1000110.8L41 L42 E43 L136 P141 F250 Y258 L264L41-F148 HydrophobicContact CD1-CD1 4.21Å; L41-F148 HydrophobicContact CD2-CD1 4.41Å; L41-F148 HydrophobicContact CG-CD1 4.32Å; L42-F148 CarbonylContact O-C 3.5Å; L42-F148 WeakPolarHBondContact O-CA 3.45Å; E43-F148 HydrophobicContact CB-CD1 4.28Å; E43-F148 HydrophobicContact CB-CE1 4.16Å; E43-F148 HydrophobicContact CG-CD1 4.25Å; E43-F148 HydrophobicContact CG-CE1 3.84Å; E43-F148 HydrophobicContact CG-CZ 4.04Å; L136-F148 HydrophobicContact CD2-CB 4.38Å; L136-F148 HydrophobicContact CD2-CD1 3.51Å; L136-F148 HydrophobicContact CD2-CD2 4.07Å; L136-F148 HydrophobicContact CD2-CE1 3.69Å; L136-F148 HydrophobicContact CD2-CE2 4.26Å; L136-F148 HydrophobicContact CD2-CG 3.7Å; L136-F148 HydrophobicContact CD2-CZ 4.07Å; P141-F148 HydrophobicContact CB-CE2 4.33Å; P141-F148 HydrophobicContact CB-CZ 4.28Å; F148-F250 WeakPolarHBondContact O-CD2 3.2Å; F148-F250 PolarHBondContact O-N 2.92Å; F148-Y258 AromaticContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD2 4.33Å; F148-Y258 HydrophobicContact CD2-CE1 4.36Å; F148-Y258 AromaticContact CD2-CG 3.75Å; F148-Y258 HydrophobicContact CD2-CG 3.75Å; F148-Y258 AromaticContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD2 4.45Å; F148-Y258 AromaticContact CE2-CE1 3.58Å; F148-Y258 HydrophobicContact CE2-CE1 3.58Å; F148-Y258 AromaticContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CZ-CD1 4.13Å; F148-Y258 HydrophobicContact CZ-CE1 4.01Å; F148-L264 HydrophobicContact CB-CD2 3.96Å
149G94.9Very high87.6Confident0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-153.4171.5175.600000112.7L42 L248L42-G149 PolarHBondContact N-O 2.83Å; L42-G149 PolarHBondContact O-N 3.46Å; G149-L248 CarbonylContact C-O 3.59Å; G149-L248 VanDerWaalsContact C-O 3.3Å; G149-L248 WeakPolarHBondContact CA-O 3.46Å
150L93.8Very high86.9Confident3 Ų345.4 Ų45.42%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-128128.8176.3-70166.5000109.3Q40 L41 V134 V152 N247 L248 F250Q40-L150 WeakPolarHBondContact O-CA 3.48Å; L41-L150 HydrophobicContact CD1-CD2 4.09Å; V134-L150 HydrophobicContact CB-CD1 4.12Å; V134-L150 HydrophobicContact CG1-CD1 3.74Å; V134-L150 HydrophobicContact CG2-CD1 4.12Å; L150-V152 HydrophobicContact CB-CG2 4.45Å; L150-N247 WeakPolarHBondContact O-CA 3.44Å; L150-L248 PolarHBondContact N-O 3.13Å; L150-L248 PolarHBondContact O-N 3.1Å; L150-F250 HydrophobicContact CB-CE2 4.49Å; L150-F250 HydrophobicContact CD1-CE2 4.03Å; L150-F250 HydrophobicContact CD1-CZ 3.98Å; L150-F250 HydrophobicContact CG-CE2 4.04Å; L150-F250 HydrophobicContact CG-CZ 4.37Å
151E90.2Very high86.5Confident33 Ų3343.8 Ų43.815%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-81.5118.8163.4-177.3-177-121.600108.3T38 R39 Q40 L42T38-E151 WeakPolarHBondContact CA-O 3.5Å; R39-E151 HydrophobicContact CB-CG 4.42Å; R39-E151 VanDerWaalsContact CB-OE2 3.25Å; R39-E151 WeakPolarHBondContact CB-OE2 2.89Å; R39-E151 PolarHBondContact N-O 3.23Å; Q40-E151 HydrophobicContact CB-CB 3.98Å; Q40-E151 HydrophobicContact CG-CB 4.5Å; Q40-E151 WeakPolarHBondContact CG-OE2 3.37Å; Q40-E151 PolarHBondContact NE2-OE2 2.96Å; Q40-E151 PolarHBondContact O-N 2.99Å; L42-E151 HydrophobicContact CD1-CB 4.46Å
152V88.9Confident86Confident1 Ų143.3 Ų43.31%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-110.8132.2177-1750000108.2E36 T38 L150 A245 F246 L248E36-V152 HydrophobicContact CG-CG1 3.7Å; E36-V152 WeakPolarHBondContact OE1-CG1 3.29Å; T38-V152 HydrophobicContact CG2-CG2 4.33Å; L150-V152 HydrophobicContact CB-CG2 4.45Å; V152-A245 VanDerWaalsContact O-CA 3.28Å; V152-A245 WeakPolarHBondContact O-CA 3.49Å; V152-F246 HydrophobicContact CB-CD1 4.25Å; V152-F246 HydrophobicContact CB-CE1 3.75Å; V152-F246 HydrophobicContact CB-CE2 4.11Å; V152-F246 HydrophobicContact CB-CZ 3.67Å; V152-F246 HydrophobicContact CG1-CE1 3.68Å; V152-F246 HydrophobicContact CG1-CZ 3.68Å; V152-F246 HydrophobicContact CG2-CE2 4.35Å; V152-F246 HydrophobicContact CG2-CZ 4.22Å; V152-F246 PolarHBondContact N-O 2.56Å; V152-F246 PolarHBondContact O-N 2.93Å; V152-F246 VanDerWaalsContact O-O 3.11Å; V152-L248 HydrophobicContact CG2-CD1 3.85Å; V152-L248 HydrophobicContact CG2-CG 4.38Å
153A86.5Confident85.6Confident0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-130.9136.5176.500000111.5E36 K37 R39 C244 A245E36-A153 CarbonylContact C-O 3.55Å; E36-A153 VanDerWaalsContact CA-O 3.28Å; E36-A153 WeakPolarHBondContact CA-O 3.21Å; K37-A153 PolarHBondContact N-O 2.68Å; K37-A153 PolarHBondContact O-N 2.73Å; R39-A153 HydrophobicContact CG-CB 4.39Å; A153-C244 CarbonylContact C-O 3.55Å; A153-C244 VanDerWaalsContact CA-O 3.24Å; A153-C244 WeakPolarHBondContact CA-O 3.25Å; A153-A245 HydrophobicContact CB-CB 4.15Å
154T84.8Confident85.6Confident0 Ų045.2 Ų45.20%025%0.251CS..EExtended strand (participates in β ladder)trans-120.4156.9-178.673.10000110.3E36 L184 W186 F243 C244 F246E36-T154 HydrophobicContact CB-CG2 4.29Å; E36-T154 HydrophobicContact CG-CG2 3.97Å; T154-L184 HydrophobicContact CG2-CD2 4.27Å; T154-W186 HydrophobicContact CG2-CH2 4.36Å; T154-W186 HydrophobicContact CG2-CZ2 3.43Å; T154-W186 VanDerWaalsContact CG2-CZ2 3.43Å; T154-W186 PolarHBondContact OG1-NE1 2.83Å; T154-F243 WeakPolarHBondContact O-CA 3.29Å; T154-C244 PolarHBondContact N-O 3.15Å; T154-C244 PolarHBondContact O-N 3.4Å; T154-F246 HydrophobicContact CG2-CE1 4.43Å
155L82.3Confident85.8Confident23 Ų2342 Ų4212%0.1223%0.232CC..EExtended strand (participates in β ladder)trans-78.3126173.8-171.170.2000109.5F237 Q240 F243L155-F237 HydrophobicContact CD2-CB 4.43Å; L155-F237 HydrophobicContact CD2-CD1 3.78Å; L155-F237 HydrophobicContact CD2-CD2 3.99Å; L155-F237 HydrophobicContact CD2-CE1 3.92Å; L155-F237 HydrophobicContact CD2-CE2 4.09Å; L155-F237 HydrophobicContact CD2-CG 3.82Å; L155-F237 HydrophobicContact CD2-CZ 4.07Å; L155-Q240 HydrophobicContact CD1-CB 3.73Å; L155-Q240 HydrophobicContact CD1-CG 3.88Å; L155-F243 HydrophobicContact CD1-CD1 4.27Å; L155-F243 HydrophobicContact CD1-CE1 3.93Å; L155-F243 HydrophobicContact CD1-CZ 4.26Å
156G76.4Confident85.9Confident12 Ų1242.8 Ų42.812%0.12424%0.24CC..  trans-79143.9177.400000112N242G156-N242 PolarHBondContact N-O 3.35Å
157Q72.6Confident85.7Confident146 Ų14645.8 Ų45.868%0.68225%0.254SS*.SBendtrans-85-14174.2-65.3-172.3-0.800113.1W186Q157-W186 PolarHBondContact NE2-O 3.19Å; Q157-W186 PolarHBondContact OE1-O 3.1Å
158G73.8Confident85.2Confident27 Ų2752.1 Ų52.128%0.27828%0.283SS..SBendtrans-154.2-167.6-176.200000112.5D160G158-D160 VanDerWaalsContact C-N 3.27Å; G158-D160 PolarHBondContact O-N 3.17Å
159P73.4Confident84.5Confident109 Ų10953.2 Ų53.271%0.70829%0.291SS*.SBendtrans-69.2-27.5177.628.5-33.8000112.5
160D83Confident83.8Confident130 Ų13059 Ų5970%0.69532%0.321SS*.SBendtrans-97.2148-179.2-60.5-44.9000111.5G158G158-D160 VanDerWaalsContact C-N 3.27Å; G158-D160 PolarHBondContact O-N 3.17Å
161C85.7Confident83.2Confident29 Ų2959.1 Ų59.120%0.19632%0.321CS..PPolyproline II helixtrans-84.6147175-69.40000111.9L219 C244C161-L219 HydrophobicContact CB-CB 3.94Å; C161-C244 WeakPolarHBondContact CA-SG 2.89Å; C161-C244 HydrophobicContact CB-CB 3.75Å; C161-C244 WeakPolarHBondContact CB-SG 3.34Å; C161-C244 VanDerWaalsContact SG-CA 3.52Å; C161-C244 WeakPolarHBondContact SG-CB 3.44Å; C161-C244 CovalentContact SG-SG 2.03Å; C161-C244 PolarHBondContact SG-SG 2.61Å
162P85.3Confident82.7Confident25 Ų2560.2 Ų60.216%0.16233%0.329CS..PPolyproline II helixtrans-62145.6175.222.8-28.8000110.9L184 L185 L219P162-L184 HydrophobicContact CB-CD1 4.05Å; P162-L184 HydrophobicContact CG-CD1 3.99Å; P162-L184 HydrophobicContact CG-CG 4.49Å; P162-L185 WeakPolarHBondContact CB-O 3.3Å; P162-L219 HydrophobicContact CG-CD2 3.92Å; P162-L219 WeakPolarHBondContact O-CD2 3.44Å
163S83.4Confident82.4Confident85 Ų8563.5 Ų63.559%0.59434%0.344SS*.PPolyproline II helixtrans-84.4137.5172.360.50000110.2
164M88.8Confident82Confident51 Ų5165 Ų6525%0.25135%0.35SS..EExtended strand (participates in β ladder)trans-72.7140.2168.8-164.914556.500110.3W196 A216 L219M164-W196 HydrophobicContact CG-CH2 4.45Å; M164-W196 HydrophobicContact CG-CZ2 4.49Å; M164-W196 HydrophobicContact SD-CH2 3.44Å; M164-W196 WeakPolarHBondContact SD-CH2 3.43Å; M164-W196 HydrophobicContact SD-CZ2 3.3Å; M164-W196 WeakPolarHBondContact SD-CZ2 3.36Å; M164-A216 HydrophobicContact CE-CB 3.33Å; M164-A216 HydrophobicContact SD-CB 3.98Å; M164-L219 HydrophobicContact CB-CD1 4.4Å
165Q90.6Very high81.7Confident84 Ų8465 Ų6539%0.39335%0.35SS..EExtended strand (participates in β ladder)trans-115.6134.8179.1-64.7-179.8-0.300109.4Q183Q165-Q183 PolarHBondContact N-O 3.49Å; Q165-Q183 PolarHBondContact O-N 2.91Å
166E89.9Confident81.5Confident127 Ų12767 Ų6759%0.59336%0.364SS*.EExtended strand (participates in β ladder)trans-100.8127.9174.4-59.7-179.2172.800108.7Q180E166-Q180 PolarHBondContact OE1-NE2 3.14Å
167Q86.1Confident81.4Confident65 Ų6568.9 Ų68.930%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-110.3131.5172-65.6-178.522.700109.2Q180 L181Q167-Q180 CarbonylContact O-C 3.59Å; Q167-Q180 WeakPolarHBondContact O-CA 3.29Å; Q167-L181 HydrophobicContact CB-CB 4.41Å; Q167-L181 PolarHBondContact N-O 2.96Å; Q167-L181 PolarHBondContact O-N 3.29Å
168H84.4Confident81.9Confident140 Ų14062.9 Ų62.965%0.64835%0.352SS*.EExtended strand (participates in β ladder)trans-102.3135.7174.9-69.1-73.1000110.9F179H168-F179 CarbonylContact C-O 3.48Å; H168-F179 WeakPolarHBondContact CA-O 3.33Å
169S79.7Confident82.4Confident27 Ų2765.8 Ų65.819%0.18936%0.357CS..  trans-114.6147.9170.6178.70000109.1D171 F179S169-D171 VanDerWaalsContact C-N 3.28Å; S169-D171 PolarHBondContact OG-N 2.79Å; S169-D171 VanDerWaalsContact OG-N 3.08Å; S169-D171 PolarHBondContact OG-O 2.77Å; S169-F179 PolarHBondContact N-O 3.03Å; S169-F179 WeakPolarHBondContact O-CB 3.32Å; S169-F179 VanDerWaalsContact O-CD1 3.32Å; S169-F179 WeakPolarHBondContact O-CD1 3.28Å
170I79.8Confident83.1Confident122 Ų12262.9 Ų62.963%0.62633%0.334SS*.SBendtrans-84.4-7.6170.361.4167.7000112.7F179 L280I170-F179 WeakPolarHBondContact O-CE1 3.39Å; I170-L280 HydrophobicContact CD1-CD1 4.45Å; I170-L280 HydrophobicContact CD1-CD2 3.63Å; I170-L280 HydrophobicContact CG1-CD2 3.44Å; I170-L280 VanDerWaalsContact CG1-CD2 3.44Å
171D80.7Confident83.5Confident5 Ų557.2 Ų57.23%0.02730%0.303CS..  trans-108.3118.6-174-179.46.9000110.3S169 E173 L280 S281 V284S169-D171 VanDerWaalsContact C-N 3.28Å; S169-D171 PolarHBondContact OG-N 2.79Å; S169-D171 VanDerWaalsContact OG-N 3.08Å; S169-D171 PolarHBondContact OG-O 2.77Å; D171-E173 WeakPolarHBondContact OD1-CB 3.25Å; D171-E173 PolarHBondContact OD1-N 2.89Å; D171-L280 HydrophobicContact CB-CD2 4.33Å; D171-S281 WeakPolarHBondContact OD2-CA 3.4Å; D171-S281 WeakPolarHBondContact OD2-CB 3.34Å; D171-S281 PolarHBondContact OD2-N 3.03Å; D171-S281 PolarHBondContact OD2-OG 3.41Å; D171-V284 HydrophobicContact CB-CG2 4.24Å
172D80.4Confident83.9Confident57 Ų5756.1 Ų56.131%0.30530%0.296SS..  trans-107.610.2175.971.2-30.3000113.5Y174 A175 P176 A177 F179D172-Y174 PolarHBondContact O-N 2.84Å; D172-Y174 VanDerWaalsContact O-N 3.1Å; D172-A175 CarbonylContact O-C 3.52Å; D172-A175 PolarHBondContact O-N 2.81Å; D172-P176 WeakPolarHBondContact O-CA 3.46Å; D172-P176 VanDerWaalsContact O-N 3.13Å; D172-A177 PolarHBondContact OD2-N 3.17Å; D172-F179 HydrophobicContact CB-CD1 3.96Å; D172-F179 HydrophobicContact CB-CE1 3.45Å; D172-F179 VanDerWaalsContact CB-CE1 3.45Å; D172-F179 HydrophobicContact CB-CE2 4.17Å; D172-F179 HydrophobicContact CB-CZ 3.56Å; D172-F179 VanDerWaalsContact CG-CZ 3.46Å
173E82.8Confident84.3Confident70 Ų7055.2 Ų55.233%0.32729%0.289SS..THydrogen-bonded Turntrans-55.8-34.8-179.3-177.7-178.9148.500111.9D171 S281 L283D171-E173 WeakPolarHBondContact OD1-CB 3.25Å; D171-E173 PolarHBondContact OD1-N 2.89Å; E173-S281 WeakPolarHBondContact OE2-CB 3.47Å; E173-S281 PolarHBondContact OE2-OG 2.88Å; E173-L283 VanDerWaalsContact OE2-CB 3.22Å; E173-L283 WeakPolarHBondContact OE2-CB 3.43Å
174Y78.6Confident84.7Confident31 Ų3151.1 Ų51.112%0.12226%0.261CS..THydrogen-bonded Turntrans-85.9-21.6-177.6-54.4-53.2000113.1R116 R122 D172 S281R116-Y174 VanDerWaalsContact CZ-CD2 3.5Å; R122-Y174 VanDerWaalsContact CB-O 3.3Å; R122-Y174 WeakPolarHBondContact CB-O 3.42Å; R122-Y174 WeakPolarHBondContact CD-O 3.36Å; R122-Y174 WeakPolarHBondContact CG-O 3.1Å; D172-Y174 PolarHBondContact O-N 2.84Å; D172-Y174 VanDerWaalsContact O-N 3.1Å; Y174-S281 WeakPolarHBondContact OH-CA 3.26Å; Y174-S281 VanDerWaalsContact OH-CB 3.23Å; Y174-S281 WeakPolarHBondContact OH-CB 3.19Å
175A78.6Confident84.7Confident1 Ų149.9 Ų49.91%0.00826%0.255CS..SBendtrans-150.692.4175.200000109.2D172 A177 V178D172-A175 CarbonylContact O-C 3.52Å; D172-A175 PolarHBondContact O-N 2.81Å; A175-A177 PolarHBondContact O-N 3.42Å; A175-V178 HydrophobicContact CB-CB 3.95Å; A175-V178 WeakPolarHBondContact O-CB 3.45Å; A175-V178 PolarHBondContact O-N 3.22Å
176P77.6Confident84.5Confident64 Ų6446.8 Ų46.842%0.41624%0.24SC..THydrogen-bonded Turntrans-54132.8-171.7-29.435.3000112.8D172 V178D172-P176 WeakPolarHBondContact O-CA 3.46Å; D172-P176 VanDerWaalsContact O-N 3.13Å; P176-V178 PolarHBondContact O-N 3.5Å
177A75.1Confident84.2Confident52 Ų5241.9 Ų41.943%0.4322%0.223SC..THydrogen-bonded Turntrans60.713.9-175.900000115.9D172 A175D172-A177 PolarHBondContact OD2-N 3.17Å; A175-A177 PolarHBondContact O-N 3.42Å
178V82.6Confident84.2Confident19 Ų1944.1 Ų44.112%0.11525%0.246CC..  trans-118.294.2176.7-174.10000109.9A175 P176 Q180 R197 V199A175-V178 HydrophobicContact CB-CB 3.95Å; A175-V178 WeakPolarHBondContact O-CB 3.45Å; A175-V178 PolarHBondContact O-N 3.22Å; P176-V178 PolarHBondContact O-N 3.5Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-R197 HydrophobicContact CG1-CB 4.02Å; V178-R197 HydrophobicContact CG1-CG 4.37Å; V178-V199 HydrophobicContact CG1-CG1 4.43Å; V178-V199 HydrophobicContact CG2-CB 4.06Å; V178-V199 HydrophobicContact CG2-CG1 4.22Å; V178-V199 HydrophobicContact CG2-CG2 4.22Å
179F83.3Confident84.3Confident89 Ų8941 Ų4139%0.3923%0.234SC..  trans-93.612.7-177.2-64-80.4000113.6H168 S169 I170 D172H168-F179 CarbonylContact C-O 3.48Å; H168-F179 WeakPolarHBondContact CA-O 3.33Å; S169-F179 PolarHBondContact N-O 3.03Å; S169-F179 WeakPolarHBondContact O-CB 3.32Å; S169-F179 VanDerWaalsContact O-CD1 3.32Å; S169-F179 WeakPolarHBondContact O-CD1 3.28Å; I170-F179 WeakPolarHBondContact O-CE1 3.39Å; D172-F179 HydrophobicContact CB-CD1 3.96Å; D172-F179 HydrophobicContact CB-CE1 3.45Å; D172-F179 VanDerWaalsContact CB-CE1 3.45Å; D172-F179 HydrophobicContact CB-CE2 4.17Å; D172-F179 HydrophobicContact CB-CZ 3.56Å; D172-F179 VanDerWaalsContact CG-CZ 3.46Å
180Q88.6Confident84.7Confident47 Ų4744 Ų4422%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-124.2146-175.1-177.8171.2-14.700110.9E166 Q167 V178 D182 R197 P198E166-Q180 PolarHBondContact OE1-NE2 3.14Å; Q167-Q180 CarbonylContact O-C 3.59Å; Q167-Q180 WeakPolarHBondContact O-CA 3.29Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-D182 PolarHBondContact NE2-OD1 2.93Å; Q180-R197 PolarHBondContact O-NH1 3.04Å; Q180-P198 HydrophobicContact CB-CG 3.86Å; Q180-P198 HydrophobicContact CG-CG 3.89Å; Q180-P198 WeakPolarHBondContact O-CD 3.27Å
181L92.1Very high85.1Confident11 Ų1138.8 Ų38.86%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-132.9118.1170.1-17378000107.7L123 Q167 W196 R197L123-L181 HydrophobicContact CD2-CD1 3.59Å; Q167-L181 HydrophobicContact CB-CB 4.41Å; Q167-L181 PolarHBondContact N-O 2.96Å; Q167-L181 PolarHBondContact O-N 3.29Å; L181-W196 WeakPolarHBondContact CD1-O 3.44Å; L181-R197 HydrophobicContact CD1-CG 3.9Å
182D93.5Very high85.4Confident7 Ų739.1 Ų39.14%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-86.5141.2175-61.6-22.9000109.1Q180 Q195 W196Q180-D182 PolarHBondContact NE2-OD1 2.93Å; D182-Q195 VanDerWaalsContact O-CA 3.29Å; D182-Q195 WeakPolarHBondContact O-CA 3.48Å; D182-W196 HydrophobicContact CB-CD2 4.09Å; D182-W196 HydrophobicContact CB-CG 4.4Å; D182-W196 HydrophobicContact CB-CZ2 3.84Å; D182-W196 PolarHBondContact N-O 2.96Å; D182-W196 PolarHBondContact O-N 2.9Å; D182-W196 PolarHBondContact OD2-NE1 3.46Å
183Q93.2Very high85.9Confident5 Ų536.4 Ų36.42%0.02322%0.217CC..EExtended strand (participates in β ladder)trans-137.3128.9-177.4-176.5176.5-71.300110.7Q165 L185 A194 Q195Q165-Q183 PolarHBondContact N-O 3.49Å; Q165-Q183 PolarHBondContact O-N 2.91Å; Q183-L185 HydrophobicContact CG-CD2 3.97Å; Q183-L185 HydrophobicContact CG-CG 4.18Å; Q183-A194 CarbonylContact C-O 3.5Å; Q183-A194 VanDerWaalsContact CA-O 3.32Å; Q183-A194 WeakPolarHBondContact CA-O 3.27Å; Q183-Q195 HydrophobicContact CB-CG 4.08Å; Q183-Q195 HydrophobicContact CG-CG 3.79Å
184L91.8Very high86.4Confident0 Ų033 Ų330%020%0.201CC..EExtended strand (participates in β ladder)trans-106.3123.3169-172.565.1000109.4T154 P162 F193 A194 W196 L219 F246T154-L184 HydrophobicContact CG2-CD2 4.27Å; P162-L184 HydrophobicContact CB-CD1 4.05Å; P162-L184 HydrophobicContact CG-CD1 3.99Å; P162-L184 HydrophobicContact CG-CG 4.49Å; L184-F193 CarbonylContact O-C 3.57Å; L184-F193 WeakPolarHBondContact O-CA 3.44Å; L184-A194 HydrophobicContact CB-CB 4.35Å; L184-A194 PolarHBondContact N-O 2.89Å; L184-A194 PolarHBondContact O-N 2.88Å; L184-W196 HydrophobicContact CB-CH2 4.34Å; L184-W196 HydrophobicContact CB-CZ3 4.22Å; L184-L219 HydrophobicContact CD1-CD1 4.05Å; L184-L219 HydrophobicContact CD1-CD2 3.73Å; L184-L219 HydrophobicContact CD2-CD2 4.06Å; L184-F246 HydrophobicContact CD2-CE1 4.14Å
185L90.3Very high87.2Confident24 Ų2431.7 Ų31.713%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-110.1124.5175.2-64-177.6000109.5P162 Q183 G187 L189 F193 P275P162-L185 WeakPolarHBondContact CB-O 3.3Å; Q183-L185 HydrophobicContact CG-CD2 3.97Å; Q183-L185 HydrophobicContact CG-CG 4.18Å; L185-G187 VanDerWaalsContact C-N 3.28Å; L185-G187 PolarHBondContact O-N 2.9Å; L185-L189 HydrophobicContact CD2-CD2 4.03Å; L185-F193 HydrophobicContact CD2-CB 3.57Å; L185-P275 HydrophobicContact CD2-CG 4.36Å
186W85.3Confident87.9Confident20 Ų2031.7 Ų31.78%0.07620%0.196CC..SBendtrans-75.7-16179.4-84.5-94.3000114.2L34 E36 T154 Q157 G192 A194L34-W186 HydrophobicContact CB-CH2 4.28Å; L34-W186 HydrophobicContact CB-CZ2 4.06Å; L34-W186 HydrophobicContact CD2-CD2 4.01Å; L34-W186 HydrophobicContact CD2-CE3 3.61Å; L34-W186 HydrophobicContact CD2-CH2 3.43Å; L34-W186 VanDerWaalsContact CD2-CH2 3.43Å; L34-W186 HydrophobicContact CD2-CZ2 3.88Å; L34-W186 HydrophobicContact CD2-CZ3 3.29Å; L34-W186 HydrophobicContact CG-CH2 4.5Å; E36-W186 HydrophobicContact CB-CZ2 4.42Å; E36-W186 WeakPolarHBondContact OE2-CH2 3.33Å; T154-W186 HydrophobicContact CG2-CH2 4.36Å; T154-W186 HydrophobicContact CG2-CZ2 3.43Å; T154-W186 VanDerWaalsContact CG2-CZ2 3.43Å; T154-W186 PolarHBondContact OG1-NE1 2.83Å; Q157-W186 PolarHBondContact NE2-O 3.19Å; Q157-W186 PolarHBondContact OE1-O 3.1Å; W186-G192 VanDerWaalsContact CE3-O 3.31Å; W186-G192 PolarHBondContact N-O 3.34Å; W186-G192 VanDerWaalsContact N-O 3.1Å; W186-A194 HydrophobicContact CH2-CB 3.97Å; W186-A194 HydrophobicContact CZ3-CB 3.8Å
187G84.3Confident88.7Confident24 Ų2428.8 Ų28.825%0.24718%0.177CC..SBendtrans-174.7-170.5-176.500000111.7L185 S191L185-G187 VanDerWaalsContact C-N 3.28Å; L185-G187 PolarHBondContact O-N 2.9Å; G187-S191 PolarHBondContact N-OG 3.1Å
188S85.9Confident89.6Confident111 Ų11127.6 Ų27.678%0.77616%0.164SC*.SBendtrans-66.9135.8174.855.70000111.1P190 S191S188-P190 CarbonylContact O-C 3.59Å; S188-S191 WeakPolarHBondContact O-CB 3.39Å
189L87.3Confident90.2Very high74 Ų7427 Ų2739%0.38716%0.16SC..SBendtrans-61.9140.7179.1-63.4175000111.7L185 G273 F274 P275L185-L189 HydrophobicContact CD2-CD2 4.03Å; L189-G273 WeakPolarHBondContact CD2-O 3.33Å; L189-F274 HydrophobicContact CB-CD1 4.13Å; L189-F274 HydrophobicContact CB-CE1 3.9Å; L189-F274 HydrophobicContact CD1-CD1 4.09Å; L189-F274 HydrophobicContact CD1-CE1 4.45Å; L189-P275 HydrophobicContact CD1-CG 4.47Å; L189-P275 VanDerWaalsContact CD2-CD 3.49Å; L189-P275 HydrophobicContact CD2-CG 4.34Å
190P87.9Confident90.8Very high91 Ų9122.7 Ų22.759%0.59114%0.142SC*.SBendcis-75.6133.6-2.730.3-33.6000112.5S188 G273 F274S188-P190 CarbonylContact O-C 3.59Å; P190-G273 WeakPolarHBondContact CA-O 3.09Å; P190-F274 HydrophobicContact CB-CD2 4.43Å; P190-F274 HydrophobicContact CB-CE2 4.06Å; P190-F274 HydrophobicContact CB-CZ 4.42Å
191S87.1Confident91.1Very high13 Ų1321.1 Ų21.19%0.09113%0.134CC..EExtended strand (participates in β ladder)trans-148.7173.2-178.6177.10000110.7G187 S188 G273G187-S191 PolarHBondContact N-OG 3.1Å; S188-S191 WeakPolarHBondContact O-CB 3.39Å; S191-G273 PolarHBondContact N-O 2.74Å; S191-G273 PolarHBondContact O-N 2.97Å
192G88.3Confident91.2Very high11 Ų1120.6 Ų20.611%0.11313%0.131CC..EExtended strand (participates in β ladder)trans-57.7140.6160.800000110.8W186 G271W186-G192 VanDerWaalsContact CE3-O 3.31Å; W186-G192 PolarHBondContact N-O 3.34Å; W186-G192 VanDerWaalsContact N-O 3.1Å; G192-G271 WeakPolarHBondContact CA-O 3.43Å
193F90.6Very high91.2Very high0 Ų022.8 Ų22.80%014%0.141CC..EExtended strand (participates in β ladder)trans-147.1153.8176.166.4-94.3000112T129 L184 L185 Q195 G271 P275T129-F193 HydrophobicContact CG2-CE2 3.92Å; T129-F193 HydrophobicContact CG2-CZ 3.62Å; L184-F193 CarbonylContact O-C 3.57Å; L184-F193 WeakPolarHBondContact O-CA 3.44Å; L185-F193 HydrophobicContact CD2-CB 3.57Å; F193-Q195 HydrophobicContact CD2-CG 4.25Å; F193-G271 PolarHBondContact N-O 2.81Å; F193-G271 PolarHBondContact O-N 2.97Å; F193-P275 HydrophobicContact CD1-CB 4.27Å; F193-P275 HydrophobicContact CD2-CB 3.82Å; F193-P275 HydrophobicContact CE1-CB 4.46Å; F193-P275 HydrophobicContact CE2-CB 4.04Å; F193-P275 HydrophobicContact CG-CB 3.95Å; F193-P275 HydrophobicContact CZ-CB 4.36Å
194A93.4Very high91Very high0 Ų029 Ų290%017%0.168CC..EExtended strand (participates in β ladder)trans-128.7139.2172.700000108.8Q183 L184 W186 W196 L269Q183-A194 CarbonylContact C-O 3.5Å; Q183-A194 VanDerWaalsContact CA-O 3.32Å; Q183-A194 WeakPolarHBondContact CA-O 3.27Å; L184-A194 HydrophobicContact CB-CB 4.35Å; L184-A194 PolarHBondContact N-O 2.89Å; L184-A194 PolarHBondContact O-N 2.88Å; W186-A194 HydrophobicContact CH2-CB 3.97Å; W186-A194 HydrophobicContact CZ3-CB 3.8Å; A194-W196 HydrophobicContact CB-CE3 4.49Å; A194-W196 HydrophobicContact CB-CZ3 4.13Å; A194-L269 CarbonylContact C-O 3.58Å; A194-L269 WeakPolarHBondContact CA-O 3.46Å
195Q93.9Very high90.5Very high3 Ų333.8 Ų33.81%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-136.6135-179.6-74.7-178.4-45.700110.8D182 Q183 F193 M268 L269 P275 P276D182-Q195 VanDerWaalsContact O-CA 3.29Å; D182-Q195 WeakPolarHBondContact O-CA 3.48Å; Q183-Q195 HydrophobicContact CB-CG 4.08Å; Q183-Q195 HydrophobicContact CG-CG 3.79Å; F193-Q195 HydrophobicContact CD2-CG 4.25Å; Q195-M268 CarbonylContact O-C 3.55Å; Q195-M268 WeakPolarHBondContact O-CA 3.37Å; Q195-L269 HydrophobicContact CB-CB 4.45Å; Q195-L269 PolarHBondContact N-O 2.77Å; Q195-L269 PolarHBondContact O-N 2.88Å; Q195-P275 HydrophobicContact CG-CB 4.45Å; Q195-P276 PolarHBondContact NE2-O 2.86Å; Q195-P276 VanDerWaalsContact OE1-CD 3.26Å; Q195-P276 PolarHBondContact OE1-O 2.85Å
196W94.8Very high90.1Very high0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-147.1161.4173.261.791.6000110.3M164 L181 D182 L184 A194 A216 F246 L248 W266 S267 M268M164-W196 HydrophobicContact CG-CH2 4.45Å; M164-W196 HydrophobicContact CG-CZ2 4.49Å; M164-W196 HydrophobicContact SD-CH2 3.44Å; M164-W196 WeakPolarHBondContact SD-CH2 3.43Å; M164-W196 HydrophobicContact SD-CZ2 3.3Å; M164-W196 WeakPolarHBondContact SD-CZ2 3.36Å; L181-W196 WeakPolarHBondContact CD1-O 3.44Å; D182-W196 HydrophobicContact CB-CD2 4.09Å; D182-W196 HydrophobicContact CB-CG 4.4Å; D182-W196 HydrophobicContact CB-CZ2 3.84Å; D182-W196 PolarHBondContact N-O 2.96Å; D182-W196 PolarHBondContact O-N 2.9Å; D182-W196 PolarHBondContact OD2-NE1 3.46Å; L184-W196 HydrophobicContact CB-CH2 4.34Å; L184-W196 HydrophobicContact CB-CZ3 4.22Å; A194-W196 HydrophobicContact CB-CE3 4.49Å; A194-W196 HydrophobicContact CB-CZ3 4.13Å; W196-A216 HydrophobicContact CZ2-CB 4.27Å; W196-F246 HydrophobicContact CH2-CE2 4.14Å; W196-F246 HydrophobicContact CH2-CZ 4.22Å; W196-F246 HydrophobicContact CZ2-CE2 4.36Å; W196-L248 HydrophobicContact CZ2-CD2 4.34Å; W196-W266 HydrophobicContact CB-CZ2 3.85Å; W196-W266 AromaticContact CD1-NE1 3.94Å; W196-W266 HydrophobicContact CD2-CZ2 4.06Å; W196-W266 AromaticContact CG-CZ2 3.69Å; W196-W266 HydrophobicContact CG-CZ2 3.69Å; W196-S267 WeakPolarHBondContact CB-O 3.3Å; W196-M268 HydrophobicContact CB-CB 3.9Å
197R94.3Very high90.1Very high4 Ų433.5 Ų33.52%0.01521%0.208CC..  trans-88.2144.1165-69.5-167.5-169.8-75.4-7.2108.6P121 L123 V178 Q180 L181 V199 D278P121-R197 HydrophobicContact CB-CB 4.29Å; P121-R197 HydrophobicContact CB-CG 4.41Å; P121-R197 PolarHBondContact O-NE 3.36Å; L123-R197 HydrophobicContact CD2-CG 3.89Å; V178-R197 HydrophobicContact CG1-CB 4.02Å; V178-R197 HydrophobicContact CG1-CG 4.37Å; Q180-R197 PolarHBondContact O-NH1 3.04Å; L181-R197 HydrophobicContact CD1-CG 3.9Å; R197-V199 HydrophobicContact CB-CG1 3.79Å; R197-V199 PolarHBondContact O-N 2.93Å; R197-D278 IonicContact CZ-OD2 3.94Å; R197-D278 IonicContact NH1-OD2 3.2Å; R197-D278 IonicContact NH2-OD2 3.25Å; R197-D278 PolarHBondContact NH2-OD2 2.88Å
198P94.3Very high90.2Very high26 Ų2640.8 Ų40.817%0.16923%0.228CC..SBendtrans-7451178.431.3-35.9000111.9Q180 C214Q180-P198 HydrophobicContact CB-CG 3.86Å; Q180-P198 HydrophobicContact CG-CG 3.89Å; Q180-P198 WeakPolarHBondContact O-CD 3.27Å; P198-C214 VanDerWaalsContact C-CB 3.47Å; P198-C214 WeakPolarHBondContact CB-O 3.42Å; P198-C214 PolarHBondContact O-N 2.88Å
199V94.5Very high90.4Very high6 Ų641.9 Ų41.94%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-141.4137.5-177.968.80000110.8P121 V178 R197 Y201 A211 L212P121-V199 HydrophobicContact CB-CG1 4.12Å; V178-V199 HydrophobicContact CG1-CG1 4.43Å; V178-V199 HydrophobicContact CG2-CB 4.06Å; V178-V199 HydrophobicContact CG2-CG1 4.22Å; V178-V199 HydrophobicContact CG2-CG2 4.22Å; R197-V199 HydrophobicContact CB-CG1 3.79Å; R197-V199 PolarHBondContact O-N 2.93Å; V199-Y201 HydrophobicContact CG1-CE2 4.38Å; V199-Y201 HydrophobicContact CG2-CE1 4.3Å; V199-A211 HydrophobicContact CG2-CB 3.8Å; V199-L212 CarbonylContact C-O 3.51Å; V199-L212 VanDerWaalsContact CA-O 3.27Å; V199-L212 WeakPolarHBondContact CA-O 3.45Å
200A95.6Very high90.6Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-121173.216600000109.4A211 L212 F250 L264 S265 W266A200-A211 CarbonylContact O-C 3.49Å; A200-A211 WeakPolarHBondContact O-CA 3.43Å; A200-L212 HydrophobicContact CB-CB 4.25Å; A200-L212 PolarHBondContact N-O 2.95Å; A200-L212 PolarHBondContact O-N 3.23Å; A200-F250 HydrophobicContact CB-CB 4.2Å; A200-F250 HydrophobicContact CB-CD1 3.7Å; A200-F250 HydrophobicContact CB-CE1 4.47Å; A200-F250 HydrophobicContact CB-CG 4.22Å; A200-L264 HydrophobicContact CB-CD1 3.8Å; A200-S265 CarbonylContact C-O 3.41Å; A200-S265 VanDerWaalsContact CA-O 3.29Å; A200-S265 WeakPolarHBondContact CA-O 3.3Å; A200-S265 WeakPolarHBondContact CB-O 3.45Å; A200-W266 HydrophobicContact CB-CB 4.05Å
201Y95.3Very high90.8Very high14 Ų1435.4 Ų35.46%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-129130.9-177.4-61.8-78.7000111.5P120 P121 V199 Q203 G207 S210 A211 L264 S265P120-Y201 HydrophobicContact CB-CE1 4.21Å; P120-Y201 HydrophobicContact CB-CE2 3.93Å; P120-Y201 VanDerWaalsContact CB-OH 3.25Å; P120-Y201 WeakPolarHBondContact CB-OH 3.3Å; P121-Y201 HydrophobicContact CB-CE2 4.35Å; V199-Y201 HydrophobicContact CG1-CE2 4.38Å; V199-Y201 HydrophobicContact CG2-CE1 4.3Å; Y201-Q203 VanDerWaalsContact C-N 3.34Å; Y201-G207 WeakPolarHBondContact CD1-O 3.15Å; Y201-G207 WeakPolarHBondContact CE1-O 3.45Å; Y201-S210 CarbonylContact C-O 3.53Å; Y201-S210 WeakPolarHBondContact CA-O 3.47Å; Y201-A211 HydrophobicContact CD1-CB 4.49Å; Y201-A211 HydrophobicContact CE1-CB 4.24Å; Y201-L264 CarbonylContact O-C 3.57Å; Y201-L264 VanDerWaalsContact O-CA 3.3Å; Y201-L264 WeakPolarHBondContact O-CA 3.48Å; Y201-S265 PolarHBondContact N-O 3.48Å; Y201-S265 PolarHBondContact O-N 3.27Å
202S94.9Very high91.1Very high0 Ų035 Ų350%018%0.183CC..SBendtrans-85.8-1.4177.4620000114.4S210 G257 Y263S202-S210 PolarHBondContact N-O 2.94Å; S202-S210 PolarHBondContact OG-O 3.43Å; S202-G257 WeakPolarHBondContact CB-O 3.32Å; S202-Y263 CarbonylContact C-O 3.54Å; S202-Y263 VanDerWaalsContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact O-CB 3.5Å
203Q92.7Very high91.4Very high52 Ų5237.1 Ų37.124%0.24320%0.195CC..SBendtrans-144.3163.4-176.4-51.8-173.217.200112Y201 P205 Q261 Y263Y201-Q203 VanDerWaalsContact C-N 3.34Å; Q203-P205 CarbonylContact O-C 3.59Å; Q203-Q261 VanDerWaalsContact CG-CD 3.43Å; Q203-Q261 HydrophobicContact CG-CG 4.13Å; Q203-Q261 VanDerWaalsContact OE1-NE2 3.07Å; Q203-Y263 WeakPolarHBondContact O-CE1 3.32Å
204K88.1Confident91.5Very high136 Ų13637.4 Ų37.459%0.59120%0.197SC*.SBendtrans-124.7126.4173.4-167.7172.4-172.1162.10110.7Y263K204-Y263 HydrophobicContact CB-CE1 4.17Å; K204-Y263 HydrophobicContact CB-CE2 4.15Å; K204-Y263 HydrophobicContact CD-CE2 4.37Å
205P82.5Confident91.4Very high101 Ų10141.7 Ų41.766%0.65622%0.217SC*.SBendcis-67.2152-2.830-34.8000112.4Q203 G207Q203-P205 CarbonylContact O-C 3.59Å; P205-G207 PolarHBondContact O-N 2.87Å
206G81.9Confident91.3Very high21 Ų2143 Ų4322%0.21623%0.228CC..  trans-65.5131.4175.800000110.8P120P120-G206 WeakPolarHBondContact CG-O 3.44Å
207G85.1Confident91.1Very high17 Ų1744.6 Ų44.618%0.17524%0.239CC..  trans-135.9176.6-178.400000111.2Y201 P205 E209 S210 A211Y201-G207 WeakPolarHBondContact CD1-O 3.15Å; Y201-G207 WeakPolarHBondContact CE1-O 3.45Å; P205-G207 PolarHBondContact O-N 2.87Å; G207-E209 VanDerWaalsContact C-N 3.32Å; G207-S210 PolarHBondContact N-OG 3.49Å; G207-S210 PolarHBondContact O-N 3.15Å; G207-S210 PolarHBondContact O-OG 2.75Å; G207-A211 PolarHBondContact O-N 2.95Å
208R86.8Confident90.8Very high177 Ų17748.8 Ų48.867%0.66827%0.267SS*.SBendtrans-68.3-36.5-179.2-179.7178.6173.1179.3-0.3111.4S210 A211R208-S210 VanDerWaalsContact C-N 3.27Å; R208-S210 PolarHBondContact O-N 2.98Å; R208-A211 WeakPolarHBondContact O-CB 3.42Å; R208-A211 PolarHBondContact O-N 3.44Å
209E88.8Confident90.5Very high133 Ų13348.6 Ų48.662%0.62126%0.264SS*.THydrogen-bonded Turntrans-69.5-22.3179.468.2-69.5162.600113.7G207G207-E209 VanDerWaalsContact C-N 3.32Å
210S92.5Very high90Very high0 Ų053.5 Ų53.50%029%0.287CS..THydrogen-bonded Turntrans-103.54.717754.40000113.1Y201 S202 G207 R208 L212Y201-S210 CarbonylContact C-O 3.53Å; Y201-S210 WeakPolarHBondContact CA-O 3.47Å; S202-S210 PolarHBondContact N-O 2.94Å; S202-S210 PolarHBondContact OG-O 3.43Å; G207-S210 PolarHBondContact N-OG 3.49Å; G207-S210 PolarHBondContact O-N 3.15Å; G207-S210 PolarHBondContact O-OG 2.75Å; R208-S210 VanDerWaalsContact C-N 3.27Å; R208-S210 PolarHBondContact O-N 2.98Å; S210-L212 PolarHBondContact O-N 2.88Å
211A92.8Very high89.4Confident30 Ų3056.5 Ų56.525%0.24831%0.306CS..EExtended strand (participates in β ladder)trans-69130.2179.900000111.3V199 A200 Y201 G207 R208 P256V199-A211 HydrophobicContact CG2-CB 3.8Å; A200-A211 CarbonylContact O-C 3.49Å; A200-A211 WeakPolarHBondContact O-CA 3.43Å; Y201-A211 HydrophobicContact CD1-CB 4.49Å; Y201-A211 HydrophobicContact CE1-CB 4.24Å; G207-A211 PolarHBondContact O-N 2.95Å; R208-A211 WeakPolarHBondContact O-CB 3.42Å; R208-A211 PolarHBondContact O-N 3.44Å; A211-P256 WeakPolarHBondContact O-CG 3.41Å
212L93.3Very high88.1Confident3 Ų356.4 Ų56.42%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-114.8138.2177.4-57.8177.7000108.8V199 A200 S210 C214 P256 L264V199-L212 CarbonylContact C-O 3.51Å; V199-L212 VanDerWaalsContact CA-O 3.27Å; V199-L212 WeakPolarHBondContact CA-O 3.45Å; A200-L212 HydrophobicContact CB-CB 4.25Å; A200-L212 PolarHBondContact N-O 2.95Å; A200-L212 PolarHBondContact O-N 3.23Å; S210-L212 PolarHBondContact O-N 2.88Å; L212-C214 PolarHBondContact O-N 3.38Å; L212-P256 HydrophobicContact CD2-CB 3.94Å; L212-P256 HydrophobicContact CD2-CG 4Å; L212-P256 WeakPolarHBondContact CD2-O 3.49Å; L212-L264 HydrophobicContact CD1-CD1 3.6Å
213P93.4Very high86.5Confident56 Ų5662.4 Ų62.436%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-62138.6170.227.2-33.8000109.9F250 G251 A252P213-F250 WeakPolarHBondContact O-CA 2.97Å; P213-G251 PolarHBondContact O-N 2.82Å; P213-A252 HydrophobicContact CG-CB 4.14Å
214C93.6Very high84.4Confident6 Ų663.7 Ų63.74%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-107118.8166.9179.10000107.9P198 L212 T249 F250P198-C214 VanDerWaalsContact C-CB 3.47Å; P198-C214 WeakPolarHBondContact CB-O 3.42Å; P198-C214 PolarHBondContact O-N 2.88Å; L212-C214 PolarHBondContact O-N 3.38Å; C214-T249 WeakPolarHBondContact CA-O 3.47Å; C214-F250 HydrophobicContact CB-CD1 4.02Å; C214-F250 HydrophobicContact CB-CE1 4.32Å; C214-F250 WeakPolarHBondContact SG-CE1 3.49Å
215Q91.8Very high82.7Confident90 Ų9066.2 Ų66.242%0.42137%0.366SS..EExtended strand (participates in β ladder)trans-107.6132.1177.1-63.3-177.57.800109.3L248 T249Q215-L248 CarbonylContact O-C 3.52Å; Q215-L248 WeakPolarHBondContact O-CA 3.41Å; Q215-T249 PolarHBondContact N-O 3.44Å; Q215-T249 PolarHBondContact O-N 3.06Å; Q215-T249 PolarHBondContact O-OG1 3.35Å
216A91.6Very high81.4Confident30 Ų3067.4 Ų67.425%0.24838%0.377CS..EExtended strand (participates in β ladder)trans-108128.7176.800000109.8M164 W196 F246 N247 L248M164-A216 HydrophobicContact CE-CB 3.33Å; M164-A216 HydrophobicContact SD-CB 3.98Å; W196-A216 HydrophobicContact CZ2-CB 4.27Å; A216-F246 HydrophobicContact CB-CD2 4.48Å; A216-N247 CarbonylContact C-O 3.3Å; A216-N247 WeakPolarHBondContact CA-O 3.26Å; A216-L248 HydrophobicContact CB-CD2 3.59Å
217S90.1Very high80.3Confident34 Ų3468.2 Ų68.224%0.23838%0.377CS..PPolyproline II helixtrans-70.3159.6173.276.70000110.8N247S217-N247 PolarHBondContact N-O 3.42Å; S217-N247 PolarHBondContact OG-N 2.89Å
218P88.1Confident79.1Confident92 Ų9271.7 Ų71.760%0.59740%0.396SS*.PPolyproline II helixtrans-55.1148.1166.7-22.133.4000111H220P218-H220 PolarHBondContact O-CD2 3.23Å; P218-H220 PolarHBondContact O-NE2 2.97Å
219L86.8Confident78Confident23 Ų2365.7 Ų65.712%0.1238%0.376CS..PPolyproline II helixtrans-74.1134.8174-80.378.7000109.6C161 P162 M164 L184 C244 A245 F246C161-L219 HydrophobicContact CB-CB 3.94Å; P162-L219 HydrophobicContact CG-CD2 3.92Å; P162-L219 WeakPolarHBondContact O-CD2 3.44Å; M164-L219 HydrophobicContact CB-CD1 4.4Å; L184-L219 HydrophobicContact CD1-CD1 4.05Å; L184-L219 HydrophobicContact CD1-CD2 3.73Å; L184-L219 HydrophobicContact CD2-CD2 4.06Å; L219-C244 HydrophobicContact CD2-CB 4.21Å; L219-A245 WeakPolarHBondContact CA-O 3.49Å; L219-F246 HydrophobicContact CD1-CB 4.12Å; L219-F246 HydrophobicContact CD1-CD1 4.1Å; L219-F246 HydrophobicContact CD1-CG 4.14Å; L219-F246 HydrophobicContact CD2-CD1 4.19Å; L219-F246 HydrophobicContact CG-CB 4.01Å; L219-F246 HydrophobicContact CG-CD1 3.84Å; L219-F246 HydrophobicContact CG-CG 4.18Å
220H84.7Confident77.5Confident108 Ų10860 Ų6050%0.535%0.35SS..EExtended strand (participates in β ladder)trans-126.6141.5178.3-60.9-63.6000111P218 A222 A245P218-H220 PolarHBondContact O-CD2 3.23Å; P218-H220 PolarHBondContact O-NE2 2.97Å; H220-A222 PolarHBondContact O-N 3.08Å; H220-A245 PolarHBondContact N-O 2.97Å; H220-A245 PolarHBondContact O-N 3.15Å
221P82.9Confident77Confident63 Ų6364.8 Ų64.841%0.40938%0.381SS..EExtended strand (participates in β ladder)trans-60.6123.7169.7-21.532.3000109.8L223P221-L223 HydrophobicContact CB-CD1 4.16Å; P221-L223 PolarHBondContact O-N 2.92Å; P221-L223 VanDerWaalsContact O-N 3.08Å
222A68.9Low76.5Confident12 Ų1269 Ų6910%0.09940%0.399CS..G310 helixtrans-80.615.3-174.700000113.6H220 A224 Y225 L227 F243 A245H220-A222 PolarHBondContact O-N 3.08Å; A222-A224 PolarHBondContact O-N 2.88Å; A222-Y225 PolarHBondContact O-N 2.92Å; A222-L227 HydrophobicContact CB-CD1 3.72Å; A222-L227 HydrophobicContact CB-CD2 4.37Å; A222-L227 HydrophobicContact CB-CG 4.43Å; A222-F243 HydrophobicContact CB-CB 4.05Å; A222-F243 PolarHBondContact N-O 3.07Å; A222-A245 HydrophobicContact CB-CB 4.28Å
223L60.3Low75.9Confident126 Ų12669.3 Ų69.366%0.6640%0.4SS*.G310 helixtrans-54-19.6178.1-79.6157.4000113.7P221P221-L223 HydrophobicContact CB-CD1 4.16Å; P221-L223 PolarHBondContact O-N 2.92Å; P221-L223 VanDerWaalsContact O-N 3.08Å
224A48.8Very low75.5Confident80 Ų8073.1 Ų73.166%0.66141%0.407SS*.G310 helixtrans-78.8-12-175.400000115.1A222A222-A224 PolarHBondContact O-N 2.88Å
225Y52.7Low75Confident188 Ų18877 Ų7774%0.73744%0.441SS*.SBendtrans-131.8139.4-177.4-63.6-79.9000111.3A222 L227A222-Y225 PolarHBondContact O-N 2.92Å; Y225-L227 VanDerWaalsContact C-N 3.26Å; Y225-L227 WeakPolarHBondContact O-CG 3.3Å; Y225-L227 PolarHBondContact O-N 3.04Å
226S54.7Low74.6Confident126 Ų12678.8 Ų78.888%0.88145%0.447SS*.  trans-66.187169.754.10000109.2
227L59.9Low74.1Confident39 Ų3980 Ų8020%0.20445%0.447CS..  trans-65.7132.8-176.5-63.9172.8000110.7A222 Y225 Q229 F243A222-L227 HydrophobicContact CB-CD1 3.72Å; A222-L227 HydrophobicContact CB-CD2 4.37Å; A222-L227 HydrophobicContact CB-CG 4.43Å; Y225-L227 VanDerWaalsContact C-N 3.26Å; Y225-L227 WeakPolarHBondContact O-CG 3.3Å; Y225-L227 PolarHBondContact O-N 3.04Å; L227-Q229 PolarHBondContact O-N 3.4Å; L227-F243 HydrophobicContact CD1-CB 3.87Å; L227-F243 HydrophobicContact CD1-CD2 3.59Å; L227-F243 HydrophobicContact CD1-CE2 4.4Å; L227-F243 HydrophobicContact CD1-CG 3.94Å
228P58Low73.8Confident90 Ų9080 Ų8058%0.58445%0.452SS*.  trans-60.5103.6167.4-18.229.8000108.9S230P228-S230 PolarHBondContact O-N 2.94Å
229Q64.4Low73.5Confident51 Ų5179.8 Ų79.824%0.23845%0.453CS..  trans-63.1121.9-178-77.2-168.3-19.600109.4L227 P231 S239 Q240L227-Q229 PolarHBondContact O-N 3.4Å; Q229-P231 WeakPolarHBondContact O-CD 3.21Å; Q229-S239 PolarHBondContact NE2-OG 3.49Å; Q229-Q240 PolarHBondContact NE2-O 2.82Å
230S77.8Confident73Confident13 Ų1381.8 Ų81.89%0.09146%0.461CS..  trans-62.4125.9174.8-164.40000109.8K37 P228 I232 V233 R234K37-S230 WeakPolarHBondContact CD-OG 3.48Å; K37-S230 VanDerWaalsContact NZ-CB 3.26Å; K37-S230 PolarHBondContact NZ-OG 3.14Å; K37-S230 VanDerWaalsContact NZ-OG 3.08Å; P228-S230 PolarHBondContact O-N 2.94Å; S230-I232 PolarHBondContact O-N 3.09Å; S230-V233 PolarHBondContact O-N 2.8Å; S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 2.77Å
231P81.9Confident72.6Confident100 Ų10081.7 Ų81.765%0.64947%0.465SS*.Hα-helixtrans-56.7-36.2176-25.934.7000112.4Q229 R234 A235Q229-P231 WeakPolarHBondContact O-CD 3.21Å; P231-R234 PolarHBondContact O-N 2.93Å; P231-A235 VanDerWaalsContact O-CB 3.23Å; P231-A235 WeakPolarHBondContact O-CB 3.36Å; P231-A235 PolarHBondContact O-N 2.92Å
232I83.7Confident72.5Confident120 Ų12082.1 Ų82.162%0.61546%0.463SS*.Hα-helixtrans-64.3-49.2178.1-60.2174.4000110.9S230 R234 A235 F236S230-I232 PolarHBondContact O-N 3.09Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 2.8Å; I232-A235 PolarHBondContact O-N 2.85Å; I232-F236 PolarHBondContact O-N 2.76Å; I232-F236 VanDerWaalsContact O-N 3.13Å
233V80.1Confident73.2Confident8 Ų882.1 Ų82.15%0.04846%0.461CS..Hα-helixtrans-64.1-42.2178.8177.50000110.2S230 A235 F236 F237 F243S230-V233 PolarHBondContact O-N 2.8Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 2.8Å; V233-F236 PolarHBondContact O-N 2.98Å; V233-F237 HydrophobicContact CG1-CD2 3.95Å; V233-F237 WeakPolarHBondContact O-CB 3.27Å; V233-F237 PolarHBondContact O-N 3.23Å; V233-F243 HydrophobicContact CG1-CE1 4.11Å; V233-F243 HydrophobicContact CG1-CZ 4.05Å
234R84.1Confident74.4Confident136 Ų13676.3 Ų76.351%0.51343%0.431SS..Hα-helixtrans-64.2-39177-171.5-171.5-74165.6-6.1112.1S230 P231 I232 F236 G238S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 2.77Å; P231-R234 PolarHBondContact O-N 2.93Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 2.8Å; R234-F236 VanDerWaalsContact C-N 3.31Å; R234-F236 PolarHBondContact O-N 2.92Å; R234-G238 WeakPolarHBondContact CA-O 3.47Å; R234-G238 WeakPolarHBondContact O-CA 3.47Å; R234-G238 PolarHBondContact O-N 3.3Å
235A83.8Confident76.2Confident89 Ų8973.2 Ų73.274%0.73641%0.405SS*.Hα-helixtrans-65.4-35.517900000112.2P231 I232 V233P231-A235 VanDerWaalsContact O-CB 3.23Å; P231-A235 WeakPolarHBondContact O-CB 3.36Å; P231-A235 PolarHBondContact O-N 2.92Å; I232-A235 PolarHBondContact O-N 2.85Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 2.8Å
236F84.1Confident77.9Confident126 Ų12664.4 Ų64.455%0.55337%0.371SS*.Hα-helixtrans-87.3-46-179.2-165.5-87.6000113.3L33 I232 V233 R234L33-F236 HydrophobicContact CD2-CE1 3.7Å; L33-F236 HydrophobicContact CD2-CE2 4.03Å; L33-F236 HydrophobicContact CD2-CZ 3.27Å; L33-F236 HydrophobicContact CG-CZ 4.25Å; I232-F236 PolarHBondContact O-N 2.76Å; I232-F236 VanDerWaalsContact O-N 3.13Å; V233-F236 PolarHBondContact O-N 2.98Å; R234-F236 VanDerWaalsContact C-N 3.31Å; R234-F236 PolarHBondContact O-N 2.92Å
237F80.2Confident79.7Confident57 Ų5761 Ų6125%0.2534%0.343CS..Hα-helixtrans-106.5-3.4-172.2-62.7-76.1000114.7G32 L33 L155 V233 Q240G32-F237 WeakPolarHBondContact O-CE2 3.3Å; L33-F237 WeakPolarHBondContact O-CZ 3.44Å; L155-F237 HydrophobicContact CD2-CB 4.43Å; L155-F237 HydrophobicContact CD2-CD1 3.78Å; L155-F237 HydrophobicContact CD2-CD2 3.99Å; L155-F237 HydrophobicContact CD2-CE1 3.92Å; L155-F237 HydrophobicContact CD2-CE2 4.09Å; L155-F237 HydrophobicContact CD2-CG 3.82Å; L155-F237 HydrophobicContact CD2-CZ 4.07Å; V233-F237 HydrophobicContact CG1-CD2 3.95Å; V233-F237 WeakPolarHBondContact O-CB 3.27Å; V233-F237 PolarHBondContact O-N 3.23Å; F237-Q240 HydrophobicContact CB-CG 3.78Å; F237-Q240 PolarHBondContact O-NE2 3.41Å
238G83.4Confident81.3Confident34 Ų3459.1 Ų59.135%0.35133%0.333SS..  trans72.2-162.2-170.500000113R234 Q240R234-G238 WeakPolarHBondContact CA-O 3.47Å; R234-G238 WeakPolarHBondContact O-CA 3.47Å; R234-G238 PolarHBondContact O-N 3.3Å; G238-Q240 PolarHBondContact O-N 2.87Å
239S81.4Confident83Confident87 Ų8755.2 Ų55.261%0.60831%0.308SS*.SBendtrans-73.4114177.3-169.20000110Q229Q229-S239 PolarHBondContact NE2-OG 3.49Å
240Q76.9Confident84.4Confident64 Ų6453.2 Ų53.230%0.29930%0.298SS..  trans-117.4144178.5-64.3-60.8-25.600110.1L155 Q229 F237 G238 F243L155-Q240 HydrophobicContact CD1-CB 3.73Å; L155-Q240 HydrophobicContact CD1-CG 3.88Å; Q229-Q240 PolarHBondContact NE2-O 2.82Å; F237-Q240 HydrophobicContact CB-CG 3.78Å; F237-Q240 PolarHBondContact O-NE2 3.41Å; G238-Q240 PolarHBondContact O-N 2.87Å; Q240-F243 HydrophobicContact CB-CE2 4.25Å; Q240-F243 HydrophobicContact CB-CZ 4.17Å; Q240-F243 VanDerWaalsContact O-CE2 3.3Å; Q240-F243 WeakPolarHBondContact O-CE2 3.39Å
241N76.9Confident85.1Confident107 Ų10752.7 Ų52.757%0.57230%0.295SS*.  trans-119.2-11.8177.1-66.9-13.5000112.6F243N241-F243 PolarHBondContact O-N 3.45Å
242N80.9Confident85.4Confident71 Ų7149.4 Ų49.438%0.3828%0.276SS..  trans-92.982.6-175-62.8-6.6000109.6G156G156-N242 PolarHBondContact N-O 3.35Å
243F83.3Confident85.3Confident13 Ų1344.1 Ų44.16%0.05725%0.25CS..EExtended strand (participates in β ladder)trans-110.4144.1173.4-67.3-81.4000110.6R39 T154 L155 A222 L227 V233 Q240 N241R39-F243 VanDerWaalsContact NH2-CD1 3.26Å; T154-F243 WeakPolarHBondContact O-CA 3.29Å; L155-F243 HydrophobicContact CD1-CD1 4.27Å; L155-F243 HydrophobicContact CD1-CE1 3.93Å; L155-F243 HydrophobicContact CD1-CZ 4.26Å; A222-F243 HydrophobicContact CB-CB 4.05Å; A222-F243 PolarHBondContact N-O 3.07Å; L227-F243 HydrophobicContact CD1-CB 3.87Å; L227-F243 HydrophobicContact CD1-CD2 3.59Å; L227-F243 HydrophobicContact CD1-CE2 4.4Å; L227-F243 HydrophobicContact CD1-CG 3.94Å; V233-F243 HydrophobicContact CG1-CE1 4.11Å; V233-F243 HydrophobicContact CG1-CZ 4.05Å; Q240-F243 HydrophobicContact CB-CE2 4.25Å; Q240-F243 HydrophobicContact CB-CZ 4.17Å; Q240-F243 VanDerWaalsContact O-CE2 3.3Å; Q240-F243 WeakPolarHBondContact O-CE2 3.39Å; N241-F243 PolarHBondContact O-N 3.45Å
244C85.9Confident85.5Confident4 Ų447.5 Ų47.53%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-111.9127.1171.1-68.80000108.5A153 T154 C161 L219A153-C244 CarbonylContact C-O 3.55Å; A153-C244 VanDerWaalsContact CA-O 3.24Å; A153-C244 WeakPolarHBondContact CA-O 3.25Å; T154-C244 PolarHBondContact N-O 3.15Å; T154-C244 PolarHBondContact O-N 3.4Å; C161-C244 WeakPolarHBondContact CA-SG 2.89Å; C161-C244 HydrophobicContact CB-CB 3.75Å; C161-C244 WeakPolarHBondContact CB-SG 3.34Å; C161-C244 VanDerWaalsContact SG-CA 3.52Å; C161-C244 WeakPolarHBondContact SG-CB 3.44Å; C161-C244 CovalentContact SG-SG 2.03Å; C161-C244 PolarHBondContact SG-SG 2.61Å; L219-C244 HydrophobicContact CD2-CB 4.21Å
245A86.5Confident85.6Confident14 Ų1443.4 Ų43.412%0.11627%0.271CS..EExtended strand (participates in β ladder)trans-121.9146.8-178.600000111V152 A153 L219 H220 A222V152-A245 VanDerWaalsContact O-CA 3.28Å; V152-A245 WeakPolarHBondContact O-CA 3.49Å; A153-A245 HydrophobicContact CB-CB 4.15Å; L219-A245 WeakPolarHBondContact CA-O 3.49Å; H220-A245 PolarHBondContact N-O 2.97Å; H220-A245 PolarHBondContact O-N 3.15Å; A222-A245 HydrophobicContact CB-CB 4.28Å
246F88.8Confident85.9Confident3 Ų341.3 Ų41.31%0.01325%0.25CC..EExtended strand (participates in β ladder)trans-145.2157170.964.1-77.2000109.6V152 T154 L184 W196 A216 L219 L248V152-F246 HydrophobicContact CB-CD1 4.25Å; V152-F246 HydrophobicContact CB-CE1 3.75Å; V152-F246 HydrophobicContact CB-CE2 4.11Å; V152-F246 HydrophobicContact CB-CZ 3.67Å; V152-F246 HydrophobicContact CG1-CE1 3.68Å; V152-F246 HydrophobicContact CG1-CZ 3.68Å; V152-F246 HydrophobicContact CG2-CE2 4.35Å; V152-F246 HydrophobicContact CG2-CZ 4.22Å; V152-F246 PolarHBondContact N-O 2.56Å; V152-F246 PolarHBondContact O-N 2.93Å; V152-F246 VanDerWaalsContact O-O 3.11Å; T154-F246 HydrophobicContact CG2-CE1 4.43Å; L184-F246 HydrophobicContact CD2-CE1 4.14Å; W196-F246 HydrophobicContact CH2-CE2 4.14Å; W196-F246 HydrophobicContact CH2-CZ 4.22Å; W196-F246 HydrophobicContact CZ2-CE2 4.36Å; A216-F246 HydrophobicContact CB-CD2 4.48Å; L219-F246 HydrophobicContact CD1-CB 4.12Å; L219-F246 HydrophobicContact CD1-CD1 4.1Å; L219-F246 HydrophobicContact CD1-CG 4.14Å; L219-F246 HydrophobicContact CD2-CD1 4.19Å; L219-F246 HydrophobicContact CG-CB 4.01Å; L219-F246 HydrophobicContact CG-CD1 3.84Å; L219-F246 HydrophobicContact CG-CG 4.18Å; F246-L248 HydrophobicContact CD2-CD2 4.23Å; F246-L248 HydrophobicContact CD2-CG 4.17Å; F246-L248 HydrophobicContact CE2-CD1 4.12Å; F246-L248 HydrophobicContact CE2-CD2 3.87Å; F246-L248 HydrophobicContact CE2-CG 3.78Å
247N91.4Very high86.2Confident54 Ų5435.3 Ų35.329%0.28922%0.224SC..EExtended strand (participates in β ladder)trans-106.6131.8179.1-65.7-21.9000109.2L42 L150 A216 S217L42-N247 HydrophobicContact CD1-CB 4.04Å; L150-N247 WeakPolarHBondContact O-CA 3.44Å; A216-N247 CarbonylContact C-O 3.3Å; A216-N247 WeakPolarHBondContact CA-O 3.26Å; S217-N247 PolarHBondContact N-O 3.42Å; S217-N247 PolarHBondContact OG-N 2.89Å
248L93.3Very high86.9Confident0 Ų033 Ų330%021%0.213CC..EExtended strand (participates in β ladder)trans-98.7133.8165.5-66.5170.7000108.3G149 L150 V152 W196 Q215 A216 F246 F250 W266G149-L248 CarbonylContact C-O 3.59Å; G149-L248 VanDerWaalsContact C-O 3.3Å; G149-L248 WeakPolarHBondContact CA-O 3.46Å; L150-L248 PolarHBondContact N-O 3.13Å; L150-L248 PolarHBondContact O-N 3.1Å; V152-L248 HydrophobicContact CG2-CD1 3.85Å; V152-L248 HydrophobicContact CG2-CG 4.38Å; W196-L248 HydrophobicContact CZ2-CD2 4.34Å; Q215-L248 CarbonylContact O-C 3.52Å; Q215-L248 WeakPolarHBondContact O-CA 3.41Å; A216-L248 HydrophobicContact CB-CD2 3.59Å; F246-L248 HydrophobicContact CD2-CD2 4.23Å; F246-L248 HydrophobicContact CD2-CG 4.17Å; F246-L248 HydrophobicContact CE2-CD1 4.12Å; F246-L248 HydrophobicContact CE2-CD2 3.87Å; F246-L248 HydrophobicContact CE2-CG 3.78Å; L248-F250 HydrophobicContact CB-CE1 4.18Å; L248-F250 HydrophobicContact CB-CZ 3.87Å; L248-W266 HydrophobicContact CD1-CE3 4.43Å; L248-W266 HydrophobicContact CD1-CH2 3.2Å; L248-W266 HydrophobicContact CD1-CZ2 3.44Å; L248-W266 VanDerWaalsContact CD1-CZ2 3.44Å; L248-W266 HydrophobicContact CD1-CZ3 3.79Å
249T94.1Very high87.3Confident9 Ų934.2 Ų34.26%0.05521%0.207CC..EExtended strand (participates in β ladder)trans-132.1138.4178.254.90000110.1F44 L57 C214 Q215F44-T249 HydrophobicContact CE2-CG2 3.87Å; F44-T249 HydrophobicContact CZ-CG2 4.49Å; L57-T249 HydrophobicContact CD1-CG2 3.52Å; L57-T249 WeakPolarHBondContact CD1-OG1 3.35Å; C214-T249 WeakPolarHBondContact CA-O 3.47Å; Q215-T249 PolarHBondContact N-O 3.44Å; Q215-T249 PolarHBondContact O-N 3.06Å; Q215-T249 PolarHBondContact O-OG1 3.35Å
250F94.4Very high87.8Confident8 Ų833.8 Ų33.84%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-118.4126.7-168.1-46.1-73.6000111.1F148 L150 A200 P213 C214 L248 L264 W266F148-F250 WeakPolarHBondContact O-CD2 3.2Å; F148-F250 PolarHBondContact O-N 2.92Å; L150-F250 HydrophobicContact CB-CE2 4.49Å; L150-F250 HydrophobicContact CD1-CE2 4.03Å; L150-F250 HydrophobicContact CD1-CZ 3.98Å; L150-F250 HydrophobicContact CG-CE2 4.04Å; L150-F250 HydrophobicContact CG-CZ 4.37Å; A200-F250 HydrophobicContact CB-CB 4.2Å; A200-F250 HydrophobicContact CB-CD1 3.7Å; A200-F250 HydrophobicContact CB-CE1 4.47Å; A200-F250 HydrophobicContact CB-CG 4.22Å; P213-F250 WeakPolarHBondContact O-CA 2.97Å; C214-F250 HydrophobicContact CB-CD1 4.02Å; C214-F250 HydrophobicContact CB-CE1 4.32Å; C214-F250 WeakPolarHBondContact SG-CE1 3.49Å; L248-F250 HydrophobicContact CB-CE1 4.18Å; L248-F250 HydrophobicContact CB-CZ 3.87Å; F250-L264 HydrophobicContact CB-CD1 3.7Å; F250-L264 HydrophobicContact CB-CD2 4.11Å; F250-L264 HydrophobicContact CD2-CD1 4.48Å; F250-L264 HydrophobicContact CD2-CD2 3.56Å; F250-L264 HydrophobicContact CD2-CG 4.48Å; F250-L264 HydrophobicContact CE2-CD2 4.25Å; F250-L264 HydrophobicContact CG-CD1 4.1Å; F250-L264 HydrophobicContact CG-CD2 4.03Å; F250-W266 HydrophobicContact CD1-CB 4.35Å; F250-W266 HydrophobicContact CD1-CG 4.36Å; F250-W266 HydrophobicContact CE1-CB 3.75Å; F250-W266 AromaticContact CE1-CD1 3.74Å; F250-W266 AromaticContact CE1-CD2 3.93Å; F250-W266 HydrophobicContact CE1-CD2 3.93Å; F250-W266 AromaticContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CZ-CB 4.13Å; F250-W266 HydrophobicContact CZ-CD2 4.16Å; F250-W266 HydrophobicContact CZ-CE3 4.37Å; F250-W266 HydrophobicContact CZ-CG 4.05Å
251G91.3Very high88.6Confident3 Ų335.5 Ų35.53%0.03121%0.206CC..  trans99176.4179.400000113.9P213P213-G251 PolarHBondContact O-N 2.82Å
252A88.1Confident89.5Confident30 Ų3033.7 Ų33.725%0.24819%0.194CC..  trans-128.3172.2176.400000109.8P213 T254 W259P213-A252 HydrophobicContact CG-CB 4.14Å; A252-T254 PolarHBondContact O-N 3.39Å; A252-T254 VanDerWaalsContact O-N 3.15Å; A252-W259 WeakPolarHBondContact O-CH2 3.34Å
253S82.5Confident90.2Very high10 Ų1031.3 Ų31.37%0.0718%0.18CC..SBendtrans-65.6-17.7-178.577.70000113.6D51 R145D51-S253 PolarHBondContact OD1-OG 2.9Å; R145-S253 PolarHBondContact NH1-O 3.38Å; R145-S253 VanDerWaalsContact NH1-O 3.1Å
254T83.4Confident90.8Very high78 Ų7831.1 Ų31.148%0.47918%0.18SC..SBendtrans-138162.5-179.7630000110.9A252A252-T254 PolarHBondContact O-N 3.39Å; A252-T254 VanDerWaalsContact O-N 3.15Å
255G86.8Confident91.4Very high51 Ų5131.4 Ų31.453%0.52618%0.182SC..SBendtrans92.7-160.5-177.900000113
256P89.9Confident91.8Very high44 Ų4430.9 Ų30.929%0.28618%0.177SC..SBendtrans-60.7151175.525.2-31.7000110.4A211 L212 D260A211-P256 WeakPolarHBondContact O-CG 3.41Å; L212-P256 HydrophobicContact CD2-CB 3.94Å; L212-P256 HydrophobicContact CD2-CG 4Å; L212-P256 WeakPolarHBondContact CD2-O 3.49Å; P256-D260 VanDerWaalsContact CA-OD2 3.31Å; P256-D260 WeakPolarHBondContact CA-OD2 3.42Å
257G91.4Very high92.1Very high1 Ų131 Ų311%0.0118%0.178CC..  trans-161.8174.1178.900000113.2S202 W259 D260S202-G257 WeakPolarHBondContact CB-O 3.32Å; G257-W259 PolarHBondContact O-N 2.81Å; G257-W259 VanDerWaalsContact O-N 3.16Å; G257-D260 PolarHBondContact N-OD2 2.99Å; G257-D260 WeakPolarHBondContact O-CB 3.46Å; G257-D260 PolarHBondContact O-N 2.95Å; G257-D260 VanDerWaalsContact O-N 3.11Å
258Y94.3Very high92.3Very high7 Ų728.6 Ų28.63%0.02717%0.165CC..Hα-helixtrans-56.5-32.6177.8178.5-97.1000112.3L136 A139 F148 D260 H262 Y263 L264L136-Y258 HydrophobicContact CB-CE2 4.23Å; L136-Y258 HydrophobicContact CD2-CD2 4.29Å; L136-Y258 HydrophobicContact CD2-CE2 3.71Å; L136-Y258 HydrophobicContact CG-CE2 3.76Å; A139-Y258 WeakPolarHBondContact CA-OH 3.26Å; A139-Y258 WeakPolarHBondContact CB-OH 3.5Å; A139-Y258 PolarHBondContact N-OH 2.76Å; A139-Y258 VanDerWaalsContact O-CE1 3.23Å; A139-Y258 WeakPolarHBondContact O-CE1 3.23Å; A139-Y258 PolarHBondContact O-OH 2.79Å; F148-Y258 AromaticContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD2 4.33Å; F148-Y258 HydrophobicContact CD2-CE1 4.36Å; F148-Y258 AromaticContact CD2-CG 3.75Å; F148-Y258 HydrophobicContact CD2-CG 3.75Å; F148-Y258 AromaticContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD2 4.45Å; F148-Y258 AromaticContact CE2-CE1 3.58Å; F148-Y258 HydrophobicContact CE2-CE1 3.58Å; F148-Y258 AromaticContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CZ-CD1 4.13Å; F148-Y258 HydrophobicContact CZ-CE1 4.01Å; Y258-D260 PolarHBondContact O-N 2.83Å; Y258-D260 VanDerWaalsContact O-N 3.13Å; Y258-H262 HydrophobicContact CE1-CB 4.2Å; Y258-H262 WeakPolarHBondContact CE2-O 3.39Å; Y258-H262 WeakPolarHBondContact O-CA 3.14Å; Y258-H262 PolarHBondContact O-N 2.64Å; Y258-Y263 WeakPolarHBondContact CD2-O 3.08Å; Y258-L264 HydrophobicContact CD2-CB 3.75Å; Y258-L264 HydrophobicContact CE2-CB 4.33Å
259W91.8Very high92.4Very high60 Ų6028.7 Ų28.723%0.22717%0.165CC..Hα-helixtrans-61.9-16179.252.673.9000114.6R145 L147 A252 G257R145-W259 HydrophobicContact CB-CZ3 4.46Å; L147-W259 HydrophobicContact CD2-CH2 4.09Å; L147-W259 HydrophobicContact CD2-CZ3 3.86Å; A252-W259 WeakPolarHBondContact O-CH2 3.34Å; G257-W259 PolarHBondContact O-N 2.81Å; G257-W259 VanDerWaalsContact O-N 3.16Å
260D91.4Very high92.4Very high78 Ų7828.2 Ų28.242%0.41716%0.163SC..Hα-helixtrans-72.6-47.1-178.1-62.9-34000112.3P256 G257 Y258P256-D260 VanDerWaalsContact CA-OD2 3.31Å; P256-D260 WeakPolarHBondContact CA-OD2 3.42Å; G257-D260 PolarHBondContact N-OD2 2.99Å; G257-D260 WeakPolarHBondContact O-CB 3.46Å; G257-D260 PolarHBondContact O-N 2.95Å; G257-D260 VanDerWaalsContact O-N 3.11Å; Y258-D260 PolarHBondContact O-N 2.83Å; Y258-D260 VanDerWaalsContact O-N 3.13Å
261Q93.6Very high92.2Very high100 Ų10027.9 Ų27.947%0.46716%0.161SC..Hα-helixtrans-130.84.2-175.9-67.1-168.7-0.500113.9Q203 Y263Q203-Q261 VanDerWaalsContact CG-CD 3.43Å; Q203-Q261 HydrophobicContact CG-CG 4.13Å; Q203-Q261 VanDerWaalsContact OE1-NE2 3.07Å; Q261-Y263 PolarHBondContact O-N 3.07Å
262H95.5Very high92.1Very high70 Ų7031.8 Ų31.832%0.32418%0.184SC..THydrogen-bonded Turntrans53.141.8-170.6-59.172.8000111.3I137 G138 Y258I137-H262 CarbonylContact C-O 3.41Å; I137-H262 WeakPolarHBondContact CA-O 3.29Å; G138-H262 PolarHBondContact N-O 3.49Å; Y258-H262 HydrophobicContact CE1-CB 4.2Å; Y258-H262 WeakPolarHBondContact CE2-O 3.39Å; Y258-H262 WeakPolarHBondContact O-CA 3.14Å; Y258-H262 PolarHBondContact O-N 2.64Å
263Y96.4Very high92.2Very high21 Ų2131 Ų318%0.08218%0.179CC..EExtended strand (participates in β ladder)trans-134.3138.5179.6-176.6-85.6000109.4L136 I137 S202 Q203 K204 Y258 Q261 S265L136-Y263 CarbonylContact O-C 3.03Å; L136-Y263 WeakPolarHBondContact O-CA 3.39Å; I137-Y263 HydrophobicContact CD1-CD2 4.31Å; I137-Y263 HydrophobicContact CD1-CE2 4.01Å; I137-Y263 HydrophobicContact CG1-CD2 3.83Å; I137-Y263 HydrophobicContact CG1-CE2 3.94Å; I137-Y263 HydrophobicContact CG2-CD2 4.44Å; S202-Y263 CarbonylContact C-O 3.54Å; S202-Y263 VanDerWaalsContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact O-CB 3.5Å; Q203-Y263 WeakPolarHBondContact O-CE1 3.32Å; K204-Y263 HydrophobicContact CB-CE1 4.17Å; K204-Y263 HydrophobicContact CB-CE2 4.15Å; K204-Y263 HydrophobicContact CD-CE2 4.37Å; Y258-Y263 WeakPolarHBondContact CD2-O 3.08Å; Q261-Y263 PolarHBondContact O-N 3.07Å; Y263-S265 WeakPolarHBondContact OH-CB 3.42Å
264L96.9Very high92.7Very high9 Ų937 Ų375%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-145.3127.2171.517272.3000107.4A135 L136 F148 A200 Y201 L212 F250 Y258A135-L264 CarbonylContact C-O 3.5Å; A135-L264 WeakPolarHBondContact CA-O 3.19Å; L136-L264 HydrophobicContact CB-CB 4.32Å; L136-L264 PolarHBondContact N-O 3.15Å; L136-L264 PolarHBondContact O-N 2.85Å; F148-L264 HydrophobicContact CB-CD2 3.96Å; A200-L264 HydrophobicContact CB-CD1 3.8Å; Y201-L264 CarbonylContact O-C 3.57Å; Y201-L264 VanDerWaalsContact O-CA 3.3Å; Y201-L264 WeakPolarHBondContact O-CA 3.48Å; L212-L264 HydrophobicContact CD1-CD1 3.6Å; F250-L264 HydrophobicContact CB-CD1 3.7Å; F250-L264 HydrophobicContact CB-CD2 4.11Å; F250-L264 HydrophobicContact CD2-CD1 4.48Å; F250-L264 HydrophobicContact CD2-CD2 3.56Å; F250-L264 HydrophobicContact CD2-CG 4.48Å; F250-L264 HydrophobicContact CE2-CD2 4.25Å; F250-L264 HydrophobicContact CG-CD1 4.1Å; F250-L264 HydrophobicContact CG-CD2 4.03Å; Y258-L264 HydrophobicContact CD2-CB 3.75Å; Y258-L264 HydrophobicContact CE2-CB 4.33Å
265S96.5Very high93.1Very high9 Ų934 Ų346%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-127.9135.7170.3173.70000111E133 V134 A200 Y201 Y263E133-S265 PolarHBondContact OE1-OG 3.05Å; V134-S265 CarbonylContact O-C 3.5Å; V134-S265 VanDerWaalsContact O-CA 3.3Å; V134-S265 WeakPolarHBondContact O-CA 3.2Å; A200-S265 CarbonylContact C-O 3.41Å; A200-S265 VanDerWaalsContact CA-O 3.29Å; A200-S265 WeakPolarHBondContact CA-O 3.3Å; A200-S265 WeakPolarHBondContact CB-O 3.45Å; Y201-S265 PolarHBondContact N-O 3.48Å; Y201-S265 PolarHBondContact O-N 3.27Å; Y263-S265 WeakPolarHBondContact OH-CB 3.42Å
266W96.6Very high93.4Very high4 Ų432 Ų322%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-137151.1174.8172.475.7000109.3E133 V134 W196 A200 L248 F250 M268E133-W266 CarbonylContact C-O 3.52Å; E133-W266 WeakPolarHBondContact CA-O 3.32Å; V134-W266 HydrophobicContact CB-CE3 4.37Å; V134-W266 HydrophobicContact CG2-CE3 3.91Å; V134-W266 HydrophobicContact CG2-CZ3 4.18Å; V134-W266 PolarHBondContact N-O 2.81Å; V134-W266 PolarHBondContact O-N 2.82Å; W196-W266 HydrophobicContact CB-CZ2 3.85Å; W196-W266 AromaticContact CD1-NE1 3.94Å; W196-W266 HydrophobicContact CD2-CZ2 4.06Å; W196-W266 AromaticContact CG-CZ2 3.69Å; W196-W266 HydrophobicContact CG-CZ2 3.69Å; A200-W266 HydrophobicContact CB-CB 4.05Å; L248-W266 HydrophobicContact CD1-CE3 4.43Å; L248-W266 HydrophobicContact CD1-CH2 3.2Å; L248-W266 HydrophobicContact CD1-CZ2 3.44Å; L248-W266 VanDerWaalsContact CD1-CZ2 3.44Å; L248-W266 HydrophobicContact CD1-CZ3 3.79Å; F250-W266 HydrophobicContact CD1-CB 4.35Å; F250-W266 HydrophobicContact CD1-CG 4.36Å; F250-W266 HydrophobicContact CE1-CB 3.75Å; F250-W266 AromaticContact CE1-CD1 3.74Å; F250-W266 AromaticContact CE1-CD2 3.93Å; F250-W266 HydrophobicContact CE1-CD2 3.93Å; F250-W266 AromaticContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CZ-CB 4.13Å; F250-W266 HydrophobicContact CZ-CD2 4.16Å; F250-W266 HydrophobicContact CZ-CE3 4.37Å; F250-W266 HydrophobicContact CZ-CG 4.05Å; W266-M268 HydrophobicContact CH2-CB 3.67Å; W266-M268 HydrophobicContact CH2-CG 3.78Å; W266-M268 HydrophobicContact CH2-SD 3.26Å; W266-M268 WeakPolarHBondContact CH2-SD 3.29Å; W266-M268 HydrophobicContact CZ2-CB 3.85Å; W266-M268 HydrophobicContact CZ2-CG 4.45Å; W266-M268 HydrophobicContact CZ2-SD 4.26Å; W266-M268 HydrophobicContact CZ3-CB 4.26Å; W266-M268 HydrophobicContact CZ3-CG 4.04Å; W266-M268 HydrophobicContact CZ3-SD 3.7Å
267S95.2Very high93.2Very high5 Ų534.8 Ų34.84%0.03518%0.18CC..EExtended strand (participates in β ladder)trans-137.3145-178.5-66.20000112.5L132 W196L132-S267 CarbonylContact O-C 3.57Å; L132-S267 WeakPolarHBondContact O-CA 3.33Å; W196-S267 WeakPolarHBondContact CB-O 3.3Å
268M95.1Very high92.8Very high4 Ų436.4 Ų36.42%0.0219%0.188CC..EExtended strand (participates in β ladder)trans-137.1155.2171.369.7-175.7-148.900111.2E36 Q131 L132 Q195 W196 W266 L270E36-M268 VanDerWaalsContact CD-CE 3.45Å; E36-M268 HydrophobicContact CG-CE 4.4Å; E36-M268 WeakPolarHBondContact OE1-CE 3.49Å; E36-M268 WeakPolarHBondContact OE2-CE 3.25Å; Q131-M268 CarbonylContact C-O 3.53Å; Q131-M268 WeakPolarHBondContact CA-O 3.22Å; L132-M268 HydrophobicContact CB-CG 3.88Å; L132-M268 HydrophobicContact CD2-CE 3.79Å; L132-M268 HydrophobicContact CD2-CG 4.27Å; L132-M268 HydrophobicContact CD2-SD 4.25Å; L132-M268 PolarHBondContact N-O 2.54Å; L132-M268 PolarHBondContact O-N 2.8Å; Q195-M268 CarbonylContact O-C 3.55Å; Q195-M268 WeakPolarHBondContact O-CA 3.37Å; W196-M268 HydrophobicContact CB-CB 3.9Å; W266-M268 HydrophobicContact CH2-CB 3.67Å; W266-M268 HydrophobicContact CH2-CG 3.78Å; W266-M268 HydrophobicContact CH2-SD 3.26Å; W266-M268 WeakPolarHBondContact CH2-SD 3.29Å; W266-M268 HydrophobicContact CZ2-CB 3.85Å; W266-M268 HydrophobicContact CZ2-CG 4.45Å; W266-M268 HydrophobicContact CZ2-SD 4.26Å; W266-M268 HydrophobicContact CZ3-CB 4.26Å; W266-M268 HydrophobicContact CZ3-CG 4.04Å; W266-M268 HydrophobicContact CZ3-SD 3.7Å; M268-L270 HydrophobicContact CE-CD1 3.48Å; M268-L270 VanDerWaalsContact CE-CD1 3.48Å; M268-L270 HydrophobicContact CE-CD2 3.63Å; M268-L270 HydrophobicContact CE-CG 3.57Å; M268-L270 HydrophobicContact CG-CD1 4.09Å
269L95.1Very high92.2Very high1 Ų138.3 Ų38.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-98138.2166.5-68.2176000109.3F111 L123 L124 H125 C130 Q131 A194 Q195 P276F111-L269 HydrophobicContact CE2-CD2 4.27Å; L123-L269 HydrophobicContact CB-CD1 3.75Å; L123-L269 HydrophobicContact CB-CG 3.97Å; L123-L269 HydrophobicContact CD1-CG 4.07Å; L124-L269 WeakPolarHBondContact O-CD1 3.33Å; H125-L269 HydrophobicContact CB-CD2 4.13Å; C130-L269 CarbonylContact O-C 3.58Å; C130-L269 WeakPolarHBondContact O-CA 3.34Å; Q131-L269 HydrophobicContact CB-CD2 3.76Å; Q131-L269 HydrophobicContact CG-CD2 4.15Å; A194-L269 CarbonylContact C-O 3.58Å; A194-L269 WeakPolarHBondContact CA-O 3.46Å; Q195-L269 HydrophobicContact CB-CB 4.45Å; Q195-L269 PolarHBondContact N-O 2.77Å; Q195-L269 PolarHBondContact O-N 2.88Å; L269-P276 HydrophobicContact CD1-CG 4.48Å
270L94.1Very high91.9Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-117.7139.1166.1-55.390.5000108.3F31 E36 T129 C130 L132 M268F31-L270 HydrophobicContact CD1-CD2 4.03Å; F31-L270 HydrophobicContact CE1-CD1 3.71Å; F31-L270 HydrophobicContact CE1-CD2 3.68Å; F31-L270 HydrophobicContact CE1-CG 4.38Å; F31-L270 HydrophobicContact CE2-CD1 4.48Å; F31-L270 HydrophobicContact CZ-CD1 3.54Å; F31-L270 HydrophobicContact CZ-CD2 4.17Å; F31-L270 HydrophobicContact CZ-CG 4.5Å; E36-L270 HydrophobicContact CB-CD2 4.47Å; E36-L270 WeakPolarHBondContact OE2-CD2 2.97Å; T129-L270 CarbonylContact C-O 3.57Å; T129-L270 VanDerWaalsContact CA-O 3.26Å; T129-L270 WeakPolarHBondContact CA-O 3.08Å; C130-L270 PolarHBondContact N-O 3.42Å; C130-L270 PolarHBondContact O-N 3.34Å; L132-L270 HydrophobicContact CB-CD1 3.83Å; M268-L270 HydrophobicContact CE-CD1 3.48Å; M268-L270 VanDerWaalsContact CE-CD1 3.48Å; M268-L270 HydrophobicContact CE-CD2 3.63Å; M268-L270 HydrophobicContact CE-CG 3.57Å; M268-L270 HydrophobicContact CG-CD1 4.09Å
271G90.8Very high91.6Very high1 Ų135.2 Ų35.21%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-157.1173.7177.300000113.5D128 G192 F193D128-G271 WeakPolarHBondContact O-CA 2.92Å; G192-G271 WeakPolarHBondContact CA-O 3.43Å; F193-G271 PolarHBondContact N-O 2.81Å; F193-G271 PolarHBondContact O-N 2.97Å
272V89.1Confident91.4Very high84 Ų8435.2 Ų35.251%0.50921%0.206SC..EExtended strand (participates in β ladder)trans-128.5128.5174.4179.80000108L34 D128L34-V272 HydrophobicContact CD1-CG2 3.79Å; D128-V272 PolarHBondContact O-N 2.87Å
273G90.7Very high91Very high14 Ų1436.6 Ų36.614%0.14422%0.216CC..EExtended strand (participates in β ladder)trans124.3-128.5-179.200000111.5L189 P190 S191L189-G273 WeakPolarHBondContact CD2-O 3.33Å; P190-G273 WeakPolarHBondContact CA-O 3.09Å; S191-G273 PolarHBondContact N-O 2.74Å; S191-G273 PolarHBondContact O-N 2.97Å
274F92.3Very high90.6Very high135 Ų13536.9 Ų36.959%0.59222%0.22SC*.SBendtrans-100.4129.3175.9-68.6-89000110L189 P190L189-F274 HydrophobicContact CB-CD1 4.13Å; L189-F274 HydrophobicContact CB-CE1 3.9Å; L189-F274 HydrophobicContact CD1-CD1 4.09Å; L189-F274 HydrophobicContact CD1-CE1 4.45Å; P190-F274 HydrophobicContact CB-CD2 4.43Å; P190-F274 HydrophobicContact CB-CE2 4.06Å; P190-F274 HydrophobicContact CB-CZ 4.42Å
275P92.4Very high90.3Very high15 Ų1540.9 Ų40.910%0.09724%0.24CC..PPolyproline II helixtrans-62.2139.5176.824.3-32.7000111L185 L189 F193 Q195 V277L185-P275 HydrophobicContact CD2-CG 4.36Å; L189-P275 HydrophobicContact CD1-CG 4.47Å; L189-P275 VanDerWaalsContact CD2-CD 3.49Å; L189-P275 HydrophobicContact CD2-CG 4.34Å; F193-P275 HydrophobicContact CD1-CB 4.27Å; F193-P275 HydrophobicContact CD2-CB 3.82Å; F193-P275 HydrophobicContact CE1-CB 4.46Å; F193-P275 HydrophobicContact CE2-CB 4.04Å; F193-P275 HydrophobicContact CG-CB 3.95Å; F193-P275 HydrophobicContact CZ-CB 4.36Å; Q195-P275 HydrophobicContact CG-CB 4.45Å; P275-V277 PolarHBondContact O-N 2.89Å
276P91.8Very high90.1Very high9 Ų942 Ų426%0.05825%0.254CS..PPolyproline II helixtrans-52.2135.3168.4-19.723.2000111.2L124 T126 T129 Q195 L269L124-P276 HydrophobicContact CB-CB 4.21Å; L124-P276 HydrophobicContact CD2-CB 4.09Å; L124-P276 HydrophobicContact CG-CB 4.1Å; L124-P276 VanDerWaalsContact O-CB 3.25Å; L124-P276 WeakPolarHBondContact O-CB 3.17Å; L124-P276 VanDerWaalsContact O-CG 3.29Å; L124-P276 WeakPolarHBondContact O-CG 3.36Å; T126-P276 HydrophobicContact CG2-CB 4.32Å; T126-P276 HydrophobicContact CG2-CG 4.03Å; T129-P276 HydrophobicContact CG2-CG 3.99Å; Q195-P276 PolarHBondContact NE2-O 2.86Å; Q195-P276 VanDerWaalsContact OE1-CD 3.26Å; Q195-P276 PolarHBondContact OE1-O 2.85Å; L269-P276 HydrophobicContact CD1-CG 4.48Å
277V87.1Confident89.9Confident104 Ų10446.7 Ų46.763%0.6328%0.278SS*.  trans-111.9126.1178-177.40000108.9L124 P275 G279L124-V277 WeakPolarHBondContact CD2-O 3.41Å; P275-V277 PolarHBondContact O-N 2.89Å; V277-G279 PolarHBondContact O-N 2.82Å
278D82.8Confident89.7Confident34 Ų3450.5 Ų50.518%0.18230%0.296CS..PPolyproline II helixtrans-71.4125.3174.5-82.5-21.7000110R116 R197R116-D278 IonicContact CZ-OD1 3.9Å; R116-D278 IonicContact NH1-OD1 2.74Å; R116-D278 PolarHBondContact NH1-OD1 2.82Å; R116-D278 IonicContact NH2-OD1 3.71Å; R116-D278 PolarHBondContact NH2-OD1 2.86Å; R197-D278 IonicContact CZ-OD2 3.94Å; R197-D278 IonicContact NH1-OD2 3.2Å; R197-D278 IonicContact NH2-OD2 3.25Å; R197-D278 PolarHBondContact NH2-OD2 2.88Å
279G82Confident89.7Confident47 Ų4753.5 Ų53.549%0.48532%0.322SS..PPolyproline II helixtrans-96.6169.1165.700000111.6V277V277-G279 PolarHBondContact O-N 2.82Å
280L84.4Confident89.7Confident73 Ų7358.4 Ų58.438%0.38235%0.351SS..PPolyproline II helixtrans-64.9136.8173.2-60.1-180000110.9I170 D171 V284 L285I170-L280 HydrophobicContact CD1-CD1 4.45Å; I170-L280 HydrophobicContact CD1-CD2 3.63Å; I170-L280 HydrophobicContact CG1-CD2 3.44Å; I170-L280 VanDerWaalsContact CG1-CD2 3.44Å; D171-L280 HydrophobicContact CB-CD2 4.33Å; L280-V284 HydrophobicContact CD2-CG1 4.35Å; L280-L285 HydrophobicContact CB-CD1 4.45Å; L280-L285 HydrophobicContact CB-CD2 3.94Å; L280-L285 HydrophobicContact CB-CG 3.88Å; L280-L285 HydrophobicContact CD1-CD2 3.88Å
281S85.9Confident89.7Confident0 Ų061.1 Ų61.10%037%0.373CS..PPolyproline II helixtrans-64.8156.4176.878.80000112.2D171 E173 Y174 L283 V284 L285D171-S281 WeakPolarHBondContact OD2-CA 3.4Å; D171-S281 WeakPolarHBondContact OD2-CB 3.34Å; D171-S281 PolarHBondContact OD2-N 3.03Å; D171-S281 PolarHBondContact OD2-OG 3.41Å; E173-S281 WeakPolarHBondContact OE2-CB 3.47Å; E173-S281 PolarHBondContact OE2-OG 2.88Å; Y174-S281 WeakPolarHBondContact OH-CA 3.26Å; Y174-S281 VanDerWaalsContact OH-CB 3.23Å; Y174-S281 WeakPolarHBondContact OH-CB 3.19Å; S281-L283 PolarHBondContact O-N 3.47Å; S281-L283 PolarHBondContact OG-N 3.41Å; S281-V284 PolarHBondContact O-N 2.88Å; S281-V284 PolarHBondContact OG-N 2.89Å; S281-L285 WeakPolarHBondContact O-CB 3.43Å; S281-L285 VanDerWaalsContact O-CG 3.31Å; S281-L285 WeakPolarHBondContact O-CG 3.29Å; S281-L285 PolarHBondContact O-N 2.82Å
282P88.3Confident89.8Confident100 Ų10066.7 Ų66.765%0.64940%0.402SS*.Hα-helixtrans-56-31.3172-25.735.4000113.5G286P282-G286 PolarHBondContact O-N 3.31Å
283L88.4Confident90.1Very high100 Ų10064.1 Ų64.152%0.52439%0.393SS..Hα-helixtrans-69-50.6177.7-177.5154.4000110.9E173 S281 L285 G286 I287E173-L283 VanDerWaalsContact OE2-CB 3.22Å; E173-L283 WeakPolarHBondContact OE2-CB 3.43Å; S281-L283 PolarHBondContact O-N 3.47Å; S281-L283 PolarHBondContact OG-N 3.41Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.05Å; L283-G286 WeakPolarHBondContact O-CA 3.04Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-G286 VanDerWaalsContact O-N 3.1Å; L283-I287 HydrophobicContact CD2-CD1 3.52Å; L283-I287 HydrophobicContact CD2-CG1 4.28Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 3.01Å
284V88Confident90.2Very high27 Ų2765.9 Ų65.916%0.16441%0.406CS..Hα-helixtrans-62.1-43.4178.41730000110.2D171 L280 S281 G286 I287 M288D171-V284 HydrophobicContact CB-CG2 4.24Å; L280-V284 HydrophobicContact CD2-CG1 4.35Å; S281-V284 PolarHBondContact O-N 2.88Å; S281-V284 PolarHBondContact OG-N 2.89Å; V284-G286 VanDerWaalsContact C-N 3.28Å; V284-G286 PolarHBondContact O-N 2.74Å; V284-I287 PolarHBondContact O-N 3Å; V284-M288 HydrophobicContact CG1-CG 4.28Å; V284-M288 WeakPolarHBondContact O-CB 3.47Å; V284-M288 VanDerWaalsContact O-CG 3.23Å; V284-M288 WeakPolarHBondContact O-CG 3.49Å; V284-M288 PolarHBondContact O-N 2.72Å
285L89.4Confident90.3Very high92 Ų9262.5 Ų62.548%0.48240%0.398SS..Hα-helixtrans-58.7-40.5173.5-70.9173.5000112L280 S281 L283 M288 A289L280-L285 HydrophobicContact CB-CD1 4.45Å; L280-L285 HydrophobicContact CB-CD2 3.94Å; L280-L285 HydrophobicContact CB-CG 3.88Å; L280-L285 HydrophobicContact CD1-CD2 3.88Å; S281-L285 WeakPolarHBondContact O-CB 3.43Å; S281-L285 VanDerWaalsContact O-CG 3.31Å; S281-L285 WeakPolarHBondContact O-CG 3.29Å; S281-L285 PolarHBondContact O-N 2.82Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.05Å; L285-M288 PolarHBondContact O-N 3.1Å; L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.12Å; L285-A289 PolarHBondContact O-N 2.8Å
286G93.3Very high90.4Very high33 Ų3363.2 Ų63.234%0.3441%0.408SS..Hα-helixtrans-63.1-46.6175.300000113.1P282 L283 V284 A289 V290P282-G286 PolarHBondContact O-N 3.31Å; L283-G286 WeakPolarHBondContact O-CA 3.04Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-G286 VanDerWaalsContact O-N 3.1Å; V284-G286 VanDerWaalsContact C-N 3.28Å; V284-G286 PolarHBondContact O-N 2.74Å; G286-A289 PolarHBondContact O-N 3Å; G286-V290 WeakPolarHBondContact O-CG2 3.5Å; G286-V290 PolarHBondContact O-N 3.02Å
287I91.4Very high90.5Very high102 Ų10268.8 Ų68.852%0.52344%0.437SS..Hα-helixtrans-61-47.2176.1-67.1175000110.2L283 V284 A289 V290 A291L283-I287 HydrophobicContact CD2-CD1 3.52Å; L283-I287 HydrophobicContact CD2-CG1 4.28Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 3.01Å; V284-I287 PolarHBondContact O-N 3Å; I287-A289 VanDerWaalsContact C-N 3.32Å; I287-A289 PolarHBondContact O-N 3.23Å; I287-V290 PolarHBondContact O-N 3.24Å; I287-A291 WeakPolarHBondContact O-CB 3.4Å; I287-A291 PolarHBondContact O-N 3.29Å
288M91Very high90.9Very high86 Ų8671 Ų7142%0.42444%0.442SS..Hα-helixtrans-61.2-41.9178.6-70.3-63.9-74.400111.7V284 L285 V290 L292V284-M288 HydrophobicContact CG1-CG 4.28Å; V284-M288 WeakPolarHBondContact O-CB 3.47Å; V284-M288 VanDerWaalsContact O-CG 3.23Å; V284-M288 WeakPolarHBondContact O-CG 3.49Å; V284-M288 PolarHBondContact O-N 2.72Å; L285-M288 PolarHBondContact O-N 3.1Å; M288-V290 PolarHBondContact O-N 3.39Å; M288-L292 HydrophobicContact CE-CD1 3.75Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.19Å; M288-L292 WeakPolarHBondContact O-CG 3.35Å; M288-L292 PolarHBondContact O-N 3.12Å
289A94.7Very high91.4Very high67 Ų6775.9 Ų75.955%0.55447%0.467SS*.Hα-helixtrans-62.3-41.9177.200000112.2L285 G286 I287 G293L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.12Å; L285-A289 PolarHBondContact O-N 2.8Å; G286-A289 PolarHBondContact O-N 3Å; I287-A289 VanDerWaalsContact C-N 3.32Å; I287-A289 PolarHBondContact O-N 3.23Å; A289-G293 WeakPolarHBondContact O-CA 3.43Å; A289-G293 PolarHBondContact O-N 3.33Å
290V95.4Very high92Very high104 Ų10479.7 Ų79.763%0.6348%0.476SS*.Hα-helixtrans-73-47.6178175.10000111.2G286 I287 M288 L292 A294G286-V290 WeakPolarHBondContact O-CG2 3.5Å; G286-V290 PolarHBondContact O-N 3.02Å; I287-V290 PolarHBondContact O-N 3.24Å; M288-V290 PolarHBondContact O-N 3.39Å; V290-L292 PolarHBondContact O-N 2.84Å; V290-A294 WeakPolarHBondContact O-CB 3.5Å; V290-A294 PolarHBondContact O-N 2.72Å
291A94Very high92.5Very high56 Ų5678 Ų7846%0.46348%0.476SS..Hα-helixtrans-66-35.9-17500000112.9I287 P295I287-A291 WeakPolarHBondContact O-CB 3.4Å; I287-A291 PolarHBondContact O-N 3.29Å; A291-P295 WeakPolarHBondContact O-CD 3.32Å; A291-P295 WeakPolarHBondContact O-CG 3.29Å
292L93.8Very high92.8Very high118 Ų11879.6 Ų79.662%0.61849%0.492SS*.Hα-helixtrans-93.2-34.9176.8-61.1176.6000112.3M288 V290 G296M288-L292 HydrophobicContact CE-CD1 3.75Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.19Å; M288-L292 WeakPolarHBondContact O-CG 3.35Å; M288-L292 PolarHBondContact O-N 3.12Å; V290-L292 PolarHBondContact O-N 2.84Å; L292-G296 PolarHBondContact O-N 3.41Å; L292-G296 VanDerWaalsContact O-N 3.15Å
293G94.6Very high93Very high31 Ų3176.3 Ų76.332%0.3248%0.476SS..Hα-helixtrans-69.4-42.3-17700000113A289 G296 L297A289-G293 WeakPolarHBondContact O-CA 3.43Å; A289-G293 PolarHBondContact O-N 3.33Å; G293-G296 PolarHBondContact O-N 2.89Å; G293-L297 WeakPolarHBondContact O-CB 3.47Å; G293-L297 WeakPolarHBondContact O-CG 3.17Å; G293-L297 PolarHBondContact O-N 2.92Å
294A93.9Very high93.2Very high50 Ų5076.6 Ų76.641%0.41348%0.478SS..Hα-helixtrans-64-50-179.300000112.5V290 G296 L297 M298V290-A294 WeakPolarHBondContact O-CB 3.5Å; V290-A294 PolarHBondContact O-N 2.72Å; A294-G296 VanDerWaalsContact C-N 3.33Å; A294-G296 PolarHBondContact O-N 3.12Å; A294-L297 PolarHBondContact O-N 2.89Å; A294-M298 WeakPolarHBondContact O-CG 3.23Å; A294-M298 PolarHBondContact O-N 3.12Å
295P93.8Very high93.4Very high65 Ų6580 Ų8042%0.42250%0.499SS..Hα-helixtrans-60.8-40173.7-24.135.2000113A291 L297 M298 L299A291-P295 WeakPolarHBondContact O-CD 3.32Å; A291-P295 WeakPolarHBondContact O-CG 3.29Å; P295-L297 PolarHBondContact O-N 2.95Å; P295-M298 PolarHBondContact O-N 2.92Å; P295-L299 WeakPolarHBondContact O-CG 3.5Å; P295-L299 PolarHBondContact O-N 2.9Å
296G94Very high93.4Very high30 Ų3081.6 Ų81.631%0.30951%0.507SS..Hα-helixtrans-60.1-45.5177.400000112.7L292 G293 A294 L299 L300L292-G296 PolarHBondContact O-N 3.41Å; L292-G296 VanDerWaalsContact O-N 3.15Å; G293-G296 PolarHBondContact O-N 2.89Å; A294-G296 VanDerWaalsContact C-N 3.33Å; A294-G296 PolarHBondContact O-N 3.12Å; G296-L299 PolarHBondContact O-N 2.86Å; G296-L300 WeakPolarHBondContact O-CB 3.38Å; G296-L300 WeakPolarHBondContact O-CG 3.48Å; G296-L300 PolarHBondContact O-N 3.18Å
297L94.8Very high93.2Very high126 Ų12686 Ų8666%0.6652%0.522SS*.Hα-helixtrans-66-38.5176.2-72.7173000112.2G293 A294 P295 L300 G301G293-L297 WeakPolarHBondContact O-CB 3.47Å; G293-L297 WeakPolarHBondContact O-CG 3.17Å; G293-L297 PolarHBondContact O-N 2.92Å; A294-L297 PolarHBondContact O-N 2.89Å; P295-L297 PolarHBondContact O-N 2.95Å; L297-L300 PolarHBondContact O-N 2.91Å; L297-G301 PolarHBondContact O-N 3.16Å
298M94.3Very high92.9Very high151 Ų15186.2 Ų86.274%0.74452%0.524SS*.Hα-helixtrans-64.4-41.3175.3-70.6-172.892.300112A294 P295 G302A294-M298 WeakPolarHBondContact O-CG 3.23Å; A294-M298 PolarHBondContact O-N 3.12Å; P295-M298 PolarHBondContact O-N 2.92Å; M298-G302 PolarHBondContact O-N 2.68Å
299L95.3Very high92.3Very high135 Ų13587.4 Ų87.471%0.70753%0.528SS*.Hα-helixtrans-65.9-43.3176.4-73.1171.9000112P295 G296 G303P295-L299 WeakPolarHBondContact O-CG 3.5Å; P295-L299 PolarHBondContact O-N 2.9Å; G296-L299 PolarHBondContact O-N 2.86Å; L299-G303 PolarHBondContact O-N 3.34Å
300L94.1Very high91.1Very high128 Ų12891.2 Ų91.267%0.6753%0.534SS*.Hα-helixtrans-64.7-46176.4-74170.2000111.7G296 L297 G303 L304G296-L300 WeakPolarHBondContact O-CB 3.38Å; G296-L300 WeakPolarHBondContact O-CG 3.48Å; G296-L300 PolarHBondContact O-N 3.18Å; L297-L300 PolarHBondContact O-N 2.91Å; L300-G303 PolarHBondContact O-N 3.25Å; L300-L304 WeakPolarHBondContact O-CB 3.31Å; L300-L304 PolarHBondContact O-N 2.75Å
301G93.8Very high89.5Confident36 Ų3693.8 Ų93.837%0.37154%0.537SS..Hα-helixtrans-61.9-47.7176.500000112L297 L304 V305L297-G301 PolarHBondContact O-N 3.16Å; G301-L304 PolarHBondContact O-N 3.05Å; G301-V305 WeakPolarHBondContact O-CG2 3.03Å; G301-V305 PolarHBondContact O-N 3.13Å
302G92.7Very high87.8Confident34 Ų3498.6 Ų98.635%0.35155%0.547SS..Hα-helixtrans-61.2-43.917600000112.7M298 V305 L306M298-G302 PolarHBondContact O-N 2.68Å; G302-V305 PolarHBondContact O-N 3.11Å; G302-L306 WeakPolarHBondContact O-CG 3.2Å; G302-L306 PolarHBondContact O-N 2.98Å
303G92.4Very high85.9Confident31 Ų31101 Ų10132%0.3255%0.55SS..Hα-helixtrans-61.3-43.6175.500000112.6L299 L300 V305 L306 L307L299-G303 PolarHBondContact O-N 3.34Å; L300-G303 PolarHBondContact O-N 3.25Å; G303-V305 PolarHBondContact O-N 2.82Å; G303-L306 PolarHBondContact O-N 3.35Å; G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.43Å; G303-L307 PolarHBondContact O-N 3.19Å
304L93.1Very high84Confident107 Ų107104.2 Ų104.256%0.5657%0.567SS**Hα-helixtrans-62.9-43.2176.6-168.474.4000111.6L300 G301 L306 L307 L308L300-L304 WeakPolarHBondContact O-CB 3.31Å; L300-L304 PolarHBondContact O-N 2.75Å; G301-L304 PolarHBondContact O-N 3.05Å; L304-L306 PolarHBondContact O-N 2.73Å; L304-L307 PolarHBondContact O-N 3.32Å; L304-L308 HydrophobicContact CG-CD1 4.09Å; L304-L308 WeakPolarHBondContact O-CB 3.46Å; L304-L308 VanDerWaalsContact O-CG 3.26Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 3.16Å
305V92.3Very high82.1Confident98 Ų98109.9 Ų109.959%0.59459%0.585SS**Hα-helixtrans-60.3-46.1176.3169.80000110.9G301 G302 G303 L308 H309G301-V305 WeakPolarHBondContact O-CG2 3.03Å; G301-V305 PolarHBondContact O-N 3.13Å; G302-V305 PolarHBondContact O-N 3.11Å; G303-V305 PolarHBondContact O-N 2.82Å; V305-L308 PolarHBondContact O-N 3.03Å; V305-H309 WeakPolarHBondContact O-CB 3.41Å; V305-H309 PolarHBondContact O-N 2.79Å
306L89.6Confident80.3Confident125 Ų125116.6 Ų116.665%0.65460%0.603SS**Hα-helixtrans-61.5-44.9177.9-72.4171000112.1G302 G303 L304 L308 H309 H310G302-L306 WeakPolarHBondContact O-CG 3.2Å; G302-L306 PolarHBondContact O-N 2.98Å; G303-L306 PolarHBondContact O-N 3.35Å; L304-L306 PolarHBondContact O-N 2.73Å; L306-L308 PolarHBondContact O-N 3.44Å; L306-H309 PolarHBondContact O-N 3.5Å; L306-H310 PolarHBondContact O-N 3.11Å
307L87.6Confident78.4Confident127 Ų127122.9 Ų122.967%0.66562%0.624SS**Hα-helixtrans-62.8-42.6177.7-72.2171.2000112.3G303 L304 K311G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.43Å; G303-L307 PolarHBondContact O-N 3.19Å; L304-L307 PolarHBondContact O-N 3.32Å; L307-K311 PolarHBondContact O-N 3.24Å
308L86.5Confident76.3Confident106 Ų106122.5 Ų122.556%0.55563%0.632SS**Hα-helixtrans-68-35.2177.2-70.2172.9000112.2L304 V305 L306 K312L304-L308 HydrophobicContact CG-CD1 4.09Å; L304-L308 WeakPolarHBondContact O-CB 3.46Å; L304-L308 VanDerWaalsContact O-CG 3.26Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 3.16Å; V305-L308 PolarHBondContact O-N 3.03Å; L306-L308 PolarHBondContact O-N 3.44Å; L308-K312 PolarHBondContact O-N 3.46Å
309H77.1Confident74.5Confident111 Ų111122 Ų12251%0.51463%0.631SS.*Hα-helixtrans-71.1-40.4178.2-159.357.3000112.1V305 L306 K311 K312 Y313V305-H309 WeakPolarHBondContact O-CB 3.41Å; V305-H309 PolarHBondContact O-N 2.79Å; L306-H309 PolarHBondContact O-N 3.5Å; H309-K311 VanDerWaalsContact C-N 3.31Å; H309-K311 PolarHBondContact O-N 2.74Å; H309-K312 PolarHBondContact O-N 3.3Å; H309-Y313 AromaticContact CE1-CE2 3.81Å; H309-Y313 AromaticContact NE2-CE2 3.54Å; H309-Y313 PolarHBondContact O-N 3.32Å
310H70.1Confident72.1Confident146 Ų146126.6 Ų126.668%0.67666%0.657SS**Hα-helixtrans-62.4-37.8176.3-166.3-123.4000112.3L306 K312 Y313 S314L306-H310 PolarHBondContact O-N 3.11Å; H310-K312 PolarHBondContact O-N 3.4Å; H310-Y313 PolarHBondContact O-N 2.95Å; H310-S314 PolarHBondContact O-N 2.9Å; H310-S314 VanDerWaalsContact O-N 3.11Å
311K61Low71Confident158 Ų158126.6 Ų126.669%0.68766%0.656SS**Hα-helixtrans-65.2-35.8178.3-149.9179.2-176.2-176.20113L307 H309 S314L307-K311 PolarHBondContact O-N 3.24Å; H309-K311 VanDerWaalsContact C-N 3.31Å; H309-K311 PolarHBondContact O-N 2.74Å; K311-S314 PolarHBondContact O-N 3.17Å
312K58.4Low69.8Low158 Ų158131.3 Ų131.369%0.68767%0.671SS**Hα-helixtrans-68.2-33.1175.3-76.2-173.4175.5-176.10113.3L308 H309 H310L308-K312 PolarHBondContact O-N 3.46Å; H309-K312 PolarHBondContact O-N 3.3Å; H310-K312 PolarHBondContact O-N 3.4Å
313Y54.9Low68.5Low169 Ų169136.7 Ų136.766%0.66369%0.689SS**Hα-helixtrans-77.1-27.8175.9-91.5-84.4000112.9H309 H310 E315 Y316H309-Y313 AromaticContact CE1-CE2 3.81Å; H309-Y313 AromaticContact NE2-CE2 3.54Å; H309-Y313 PolarHBondContact O-N 3.32Å; H310-Y313 PolarHBondContact O-N 2.95Å; Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 2.94Å; Y313-Y316 PolarHBondContact O-N 2.78Å
314S54Low67.1Low97 Ų97142.9 Ų142.968%0.67871%0.71SS**Hα-helixtrans-74.9-16.6177.1-171.30000114.4H310 K311 Y316H310-S314 PolarHBondContact O-N 2.9Å; H310-S314 VanDerWaalsContact O-N 3.11Å; K311-S314 PolarHBondContact O-N 3.17Å; S314-Y316 PolarHBondContact O-N 2.81Å
315E54.2Low65.5Low169 Ų169145.2 Ų145.279%0.7972%0.72SS**THydrogen-bonded Turntrans-79-2.4175.4-93.8-178.8168.200113.5Y313Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 2.94Å
316Y55.5Low63.7Low207 Ų207148.3 Ų148.381%0.81273%0.728SS**SBendtrans-107.574.1177.1-114.5-89.7000111.4Y313 S314Y313-Y316 PolarHBondContact O-N 2.78Å; S314-Y316 PolarHBondContact O-N 2.81Å
317Q54.4Low61.9Low162 Ų162150 Ų15076%0.75773%0.733SS**  trans172.7105.7139-99.3178.3-18.900111.3I319Q317-I319 HydrophobicContact CG-CD1 4.26Å; Q317-I319 HydrophobicContact CG-CG1 4.31Å
318S52.1Low59.9Low118 Ų118151.8 Ų151.883%0.82574%0.739SS**  -127.79612671.40000107.1N320S318-N320 PolarHBondContact O-N 2.99Å
319I56.4Low57.7Low139 Ų139155.6 Ų155.671%0.71375%0.754SS**  trans-81.6102.3164.3-59.9169.5000105Q317Q317-I319 HydrophobicContact CG-CD1 4.26Å; Q317-I319 HydrophobicContact CG-CG1 4.31Å
320N43.9Very low55.9Low233 Ų233159.6 Ų159.6100%1.24678%0.776SS**  trans-131.50156.2-97.7-6.8000107.2S318S318-N320 PolarHBondContact O-N 2.99Å

Retrieved 320 of 320 residues in 328.5 ms (Link to these results)