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Colipase

Colipase is a cofactor of pancreatic lipase. It allows the lipase to anchor itself to the lipid-water interface. Without colipase the enzyme is washed off by bile salts, which have an inhibitory effect on the lipase. Enterostatin has a biological activity as a satiety signal.

AlphaFold DB , UniProt , Accession A0A087WZW1, Species HUMAN (Homo sapiens, Human), Gene CLPS, Length 98 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
1M39.1Very low51.5Low243 Ų243155.8 Ų155.8100%1.19781%0.811SS**  0100.80-99.3171.2-100.600107.4L3M1-L3 PolarHBondContact O-N 3.17Å
2I40.7Very low53Low158 Ų158146.4 Ų146.481%0.8178%0.78SS**  trans-74.5114.5176.1-60.1176.3000106.1L4I2-L4 PolarHBondContact O-N 2.99Å
3L39.7Very low55.1Low165 Ų165142.5 Ų142.586%0.86476%0.759SS**  trans-69.397.6169.9-163.980.7000106.2M1 P5M1-L3 PolarHBondContact O-N 3.17Å; L3-P5 WeakPolarHBondContact O-CD 3.17Å
4L46.3Very low57.5Low141 Ų141133.9 Ų133.974%0.73871%0.712SS**PPolyproline II helixtrans-59.6122.9170.9-73.7169.1000107.2I2 Q6I2-L4 PolarHBondContact O-N 2.99Å; L4-Q6 PolarHBondContact O-N 3.31Å
5P52.1Low59.8Low112 Ų112132.1 Ų132.173%0.72770%0.698SS**PPolyproline II helixtrans-59.6124.8175.823.5-30.8000108L3L3-P5 WeakPolarHBondContact O-CD 3.17Å
6Q58.6Low61.8Low146 Ų146129 Ų12968%0.68268%0.682SS**PPolyproline II helixtrans-57129.3174.6-66-66.9-13.800107.8L4L4-Q6 PolarHBondContact O-N 3.31Å
7P57.6Low63.5Low100 Ų100124.3 Ų124.365%0.64967%0.671SS**PPolyproline II helixtrans-56.9145178.923.9-32.4000109.2K9P7-K9 PolarHBondContact O-N 2.8Å
8P55.4Low65Low121 Ų121121.1 Ų121.179%0.78665%0.651SS**PPolyproline II helixtrans-52.3132.7177.921.8-32000108.9K10P8-K10 PolarHBondContact O-N 3.18Å
9K57.3Low66.3Low185 Ų185118.9 Ų118.980%0.80464%0.639SS**  trans-48.7109.4178.4-69.8-178.7178.91770108.1P7 L11P7-K9 PolarHBondContact O-N 2.8Å; K9-L11 PolarHBondContact O-N 3.1Å
10K59.5Low67.5Low151 Ų151113.3 Ų113.366%0.65761%0.609SS**  trans-56.9133.1172.5-76.6-170.9-177.9175.60106.8P8 G12P8-K10 PolarHBondContact O-N 3.18Å; K10-G12 PolarHBondContact O-N 3.32Å
11L60.2Low68.5Low192 Ų192115.2 Ų115.2100%1.00562%0.616SS**SBendtrans-64.12.5176.5-171.560000112.9K9K9-L11 PolarHBondContact O-N 3.1Å
12G69.4Low70.8Confident43 Ų43106.7 Ų106.744%0.44358%0.575SS.*SBendtrans-116.2154.9177.600000112.6K10 Q14K10-G12 PolarHBondContact O-N 3.32Å; G12-Q14 PolarHBondContact O-N 2.74Å; G12-Q14 PolarHBondContact O-NE2 3.41Å
13L81Confident73.1Confident95 Ų9599.6 Ų99.650%0.49754%0.54SS..PPolyproline II helixtrans-58132.8171.2-63.7170.1000110.2A24 Q25 K27L13-A24 VanDerWaalsContact CD2-O 3.28Å; L13-A24 WeakPolarHBondContact CD2-O 2.98Å; L13-Q25 CarbonylContact C-O 3.55Å; L13-Q25 WeakPolarHBondContact CA-O 3.42Å; L13-K27 HydrophobicContact CB-CB 4.35Å; L13-K27 HydrophobicContact CB-CG 3.37Å; L13-K27 HydrophobicContact CD1-CG 4.13Å; L13-K27 HydrophobicContact CG-CG 4.39Å; L13-K27 WeakPolarHBondContact O-CE 3.3Å
14Q88.4Confident75.4Confident23 Ų2395 Ų9511%0.10753%0.526CS..BIsolated β-bridgetrans-70.3146.4176-80.3102.294.600112.3G12 E18 L19 Q25 K27G12-Q14 PolarHBondContact O-N 2.74Å; G12-Q14 PolarHBondContact O-NE2 3.41Å; Q14-E18 VanDerWaalsContact CA-OE2 3.26Å; Q14-E18 WeakPolarHBondContact CA-OE2 3.3Å; Q14-E18 HydrophobicContact CB-CB 3.99Å; Q14-E18 WeakPolarHBondContact CB-OE2 3.31Å; Q14-E18 HydrophobicContact CG-CB 3.98Å; Q14-L19 PolarHBondContact OE1-O 3.38Å; Q14-Q25 WeakPolarHBondContact CB-O 3.02Å; Q14-Q25 PolarHBondContact N-O 2.02Å; Q14-Q25 PolarHBondContact NE2-O 2.86Å; Q14-K27 PolarHBondContact O-N 3.35Å
15E92.1Very high77.4Confident106 Ų10690.5 Ų90.550%0.49550%0.501SS..PPolyproline II helixtrans-80.3165.6173.4-61.7-89.2100.700111G17 E18 K27 C42E15-G17 PolarHBondContact O-N 3.07Å; E15-E18 PolarHBondContact N-OE2 3.17Å; E15-E18 PolarHBondContact O-N 2.89Å; E15-K27 VanDerWaalsContact OE1-CD 3.24Å; E15-K27 WeakPolarHBondContact OE1-CD 3.45Å; E15-K27 VanDerWaalsContact OE1-CE 3.27Å; E15-K27 WeakPolarHBondContact OE1-CE 3.4Å; E15-K27 IonicContact OE1-NZ 3.64Å; E15-K27 PolarHBondContact OE1-NZ 3.01Å; E15-C42 VanDerWaalsContact O-CB 3.23Å; E15-C42 WeakPolarHBondContact O-CB 3.26Å
16N91.6Very high79.2Confident83 Ų8385.2 Ų85.244%0.44447%0.467SS..THydrogen-bonded Turntrans-60.2136.4173.4-72.8-11.5000111.3C42 T43 S44N16-C42 CarbonylContact C-O 3.48Å; N16-C42 WeakPolarHBondContact CA-O 3.44Å; N16-T43 WeakPolarHBondContact OD1-CA 3.32Å; N16-S44 PolarHBondContact ND2-N 3.49Å; N16-S44 PolarHBondContact ND2-OG 3.31Å
17G89.9Confident80.8Confident49 Ų4983.9 Ų83.951%0.50546%0.459SS..THydrogen-bonded Turntrans93.6-16-177.900000114.8E15 R41 C42E15-G17 PolarHBondContact O-N 3.07Å; G17-R41 WeakPolarHBondContact O-CD 3.34Å; G17-C42 PolarHBondContact N-O 2.01Å
18E90.9Very high82.3Confident67 Ų6780.3 Ų80.331%0.31344%0.436SS..SBendtrans-75151.9174.5-67.4-172101.900111.6Q14 E15 R41 C42Q14-E18 VanDerWaalsContact CA-OE2 3.26Å; Q14-E18 WeakPolarHBondContact CA-OE2 3.3Å; Q14-E18 HydrophobicContact CB-CB 3.99Å; Q14-E18 WeakPolarHBondContact CB-OE2 3.31Å; Q14-E18 HydrophobicContact CG-CB 3.98Å; E15-E18 PolarHBondContact N-OE2 3.17Å; E15-E18 PolarHBondContact O-N 2.89Å; E18-R41 CarbonylContact O-C 3.59Å; E18-R41 WeakPolarHBondContact O-CA 3.3Å; E18-R41 WeakPolarHBondContact O-CB 3.22Å; E18-C42 PolarHBondContact O-N 3.35Å
19L90.6Very high84Confident80 Ų8078.8 Ų78.842%0.41942%0.421SS..BIsolated β-bridgetrans-66.9137176.7-74166.3000110.6Q14 L39 R41Q14-L19 PolarHBondContact OE1-O 3.38Å; L19-L39 HydrophobicContact CD2-CB 3.84Å; L19-L39 HydrophobicContact CD2-CD1 4.13Å; L19-L39 HydrophobicContact CD2-CG 4.39Å; L19-R41 HydrophobicContact CD2-CG 4.1Å
20C89.8Confident85.6Confident6 Ų670 Ų704%0.04138%0.383CS..  trans-137.6153178.960.20000111C31 A40 R41 C42C20-C31 HydrophobicContact CB-CB 3.94Å; C20-C31 WeakPolarHBondContact CB-SG 3.21Å; C20-C31 PolarHBondContact O-SG 2.03Å; C20-C31 WeakPolarHBondContact SG-CA 3.48Å; C20-C31 WeakPolarHBondContact SG-CB 3.46Å; C20-C31 CovalentContact SG-SG 2.02Å; C20-C31 PolarHBondContact SG-SG 3.44Å; C20-A40 PolarHBondContact N-O 2.69Å; C20-R41 WeakPolarHBondContact SG-CA 3.26Å; C20-R41 PolarHBondContact SG-O 2.78Å; C20-C42 PolarHBondContact SG-N 3.2Å
21M88.2Confident87.2Confident153 Ų15362.8 Ų62.875%0.75435%0.352SS*.SBendtrans-115.1-4.5173-66.5-69.2-71.100112.1I60M21-I60 WeakPolarHBondContact O-CD1 3.35Å
22N87.6Confident88.7Confident64 Ų6455.6 Ų55.634%0.34231%0.313SS..SBendtrans-165.4141.7-179.5-166.6-75.9000108.9A24 Q25N22-A24 PolarHBondContact O-N 3.09Å; N22-A24 WeakPolarHBondContact OD1-CB 3.1Å; N22-A24 PolarHBondContact OD1-N 2.85Å; N22-Q25 WeakPolarHBondContact O-CB 3.38Å; N22-Q25 PolarHBondContact O-N 2.87Å
23S89.3Confident89.7Confident10 Ų1054.8 Ų54.87%0.0730%0.298CS..G310 helixtrans-58.1-27.9178.7-680000113.6Q25 C26 N29 C31 G59S23-Q25 PolarHBondContact O-N 3.24Å; S23-Q25 VanDerWaalsContact O-N 3.15Å; S23-C26 PolarHBondContact O-N 3.11Å; S23-N29 WeakPolarHBondContact CB-O 3.49Å; S23-N29 WeakPolarHBondContact O-CA 3.48Å; S23-C31 PolarHBondContact OG-N 3.4Å; S23-G59 VanDerWaalsContact CB-O 3.24Å; S23-G59 WeakPolarHBondContact CB-O 3.15Å; S23-G59 PolarHBondContact N-O 3.18Å; S23-G59 PolarHBondContact OG-O 2.86Å
24A88.1Confident89.7Confident69 Ų6955.2 Ų55.257%0.5731%0.308SS*.G310 helixtrans-63.8-15.8175.200000113.7L13 N22L13-A24 VanDerWaalsContact CD2-O 3.28Å; L13-A24 WeakPolarHBondContact CD2-O 2.98Å; N22-A24 PolarHBondContact O-N 3.09Å; N22-A24 WeakPolarHBondContact OD1-CB 3.1Å; N22-A24 PolarHBondContact OD1-N 2.85Å
25Q87.9Confident89.2Confident46 Ų4657 Ų5722%0.21532%0.323CS..G310 helixtrans-83.5-16.7175.4-65.1174.1104.700112.4L13 Q14 N22 S23L13-Q25 CarbonylContact C-O 3.55Å; L13-Q25 WeakPolarHBondContact CA-O 3.42Å; Q14-Q25 WeakPolarHBondContact CB-O 3.02Å; Q14-Q25 PolarHBondContact N-O 2.02Å; Q14-Q25 PolarHBondContact NE2-O 2.86Å; N22-Q25 WeakPolarHBondContact O-CB 3.38Å; N22-Q25 PolarHBondContact O-N 2.87Å; S23-Q25 PolarHBondContact O-N 3.24Å; S23-Q25 VanDerWaalsContact O-N 3.15Å
26C90Very high88.4Confident0 Ų055.8 Ų55.80%033%0.331CS..BIsolated β-bridgetrans-96.5138.9-174.8-55.40000111.1S23 S28 N29 C30 C42S23-C26 PolarHBondContact O-N 3.11Å; C26-S28 PolarHBondContact O-N 2.9Å; C26-N29 PolarHBondContact O-N 3.48Å; C26-C30 PolarHBondContact SG-O 2.88Å; C26-C30 VanDerWaalsContact SG-O 3.4Å; C26-C42 WeakPolarHBondContact CA-SG 3.44Å; C26-C42 HydrophobicContact CB-CB 3.64Å; C26-C42 WeakPolarHBondContact CB-SG 3.4Å; C26-C42 WeakPolarHBondContact SG-CA 3.45Å; C26-C42 WeakPolarHBondContact SG-CB 2.96Å; C26-C42 CovalentContact SG-SG 2.03Å; C26-C42 PolarHBondContact SG-SG 3.45Å
27K91.2Very high87.8Confident119 Ų11960.4 Ų60.452%0.51736%0.355SS..THydrogen-bonded Turntrans-58-38171.3-73.6-175.3-173.4173.60112.4L13 Q14 E15 N29L13-K27 HydrophobicContact CB-CB 4.35Å; L13-K27 HydrophobicContact CB-CG 3.37Å; L13-K27 HydrophobicContact CD1-CG 4.13Å; L13-K27 HydrophobicContact CG-CG 4.39Å; L13-K27 WeakPolarHBondContact O-CE 3.3Å; Q14-K27 PolarHBondContact O-N 3.35Å; E15-K27 VanDerWaalsContact OE1-CD 3.24Å; E15-K27 WeakPolarHBondContact OE1-CD 3.45Å; E15-K27 VanDerWaalsContact OE1-CE 3.27Å; E15-K27 WeakPolarHBondContact OE1-CE 3.4Å; E15-K27 IonicContact OE1-NZ 3.64Å; E15-K27 PolarHBondContact OE1-NZ 3.01Å; K27-N29 PolarHBondContact O-N 2.91Å; K27-N29 PolarHBondContact O-ND2 3.01Å
28S90.3Very high87.3Confident24 Ų2459.4 Ų59.417%0.16835%0.345CS..THydrogen-bonded Turntrans-70.3-10.3176.161.90000114C26 C30 T43 M45C26-S28 PolarHBondContact O-N 2.9Å; S28-C30 PolarHBondContact O-N 3.07Å; S28-C30 PolarHBondContact OG-N 3Å; S28-C30 PolarHBondContact OG-O 2.92Å; S28-T43 WeakPolarHBondContact CB-O 3.45Å; S28-T43 PolarHBondContact OG-O 2.61Å; S28-M45 WeakPolarHBondContact O-CG 3.06Å
29N90.2Very high87.1Confident89 Ų8961.7 Ų61.748%0.47636%0.359SS..SBendtrans57.523.9-170.7-64.5-96.5000114.1S23 C26 K27 M45S23-N29 WeakPolarHBondContact CB-O 3.49Å; S23-N29 WeakPolarHBondContact O-CA 3.48Å; C26-N29 PolarHBondContact O-N 3.48Å; K27-N29 PolarHBondContact O-N 2.91Å; K27-N29 PolarHBondContact O-ND2 3.01Å; N29-M45 HydrophobicContact CB-CE 4.09Å
30C92.1Very high87.1Confident0 Ų058.5 Ų58.50%034%0.344CS..  trans-131.4122170.4-171.90000112.2C26 S28 C42 T43 M45 C64C26-C30 PolarHBondContact SG-O 2.88Å; C26-C30 VanDerWaalsContact SG-O 3.4Å; S28-C30 PolarHBondContact O-N 3.07Å; S28-C30 PolarHBondContact OG-N 3Å; S28-C30 PolarHBondContact OG-O 2.92Å; C30-C42 WeakPolarHBondContact O-CA 3.28Å; C30-T43 PolarHBondContact O-N 2.77Å; C30-M45 HydrophobicContact CB-CG 4.5Å; C30-C64 HydrophobicContact CB-CB 3.86Å; C30-C64 WeakPolarHBondContact CB-SG 3.39Å; C30-C64 WeakPolarHBondContact SG-CA 3.15Å; C30-C64 WeakPolarHBondContact SG-CB 2.97Å; C30-C64 CovalentContact SG-SG 2.01Å; C30-C64 PolarHBondContact SG-SG 2.64Å
31C92.4Very high87.3Confident0 Ų063.6 Ų63.60%036%0.363CS..EExtended strand (participates in β ladder)trans-107.1114.3169-175.80000108.8C20 S23 A40 I60 Y61C20-C31 HydrophobicContact CB-CB 3.94Å; C20-C31 WeakPolarHBondContact CB-SG 3.21Å; C20-C31 PolarHBondContact O-SG 2.03Å; C20-C31 WeakPolarHBondContact SG-CA 3.48Å; C20-C31 WeakPolarHBondContact SG-CB 3.46Å; C20-C31 CovalentContact SG-SG 2.02Å; C20-C31 PolarHBondContact SG-SG 3.44Å; S23-C31 PolarHBondContact OG-N 3.4Å; C31-A40 VanDerWaalsContact SG-CB 3.56Å; C31-I60 CarbonylContact O-C 3.49Å; C31-I60 WeakPolarHBondContact O-CA 3.11Å; C31-Y61 PolarHBondContact O-N 3.04Å
32Q92.5Very high87.5Confident42 Ų4256.4 Ų56.420%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-117.3144.1-171-172.9-82-14.100112.1A40 R41 T43 Y61 Y62Q32-A40 CarbonylContact O-C 3.56Å; Q32-A40 WeakPolarHBondContact O-CA 3.08Å; Q32-R41 PolarHBondContact N-O 3.22Å; Q32-R41 PolarHBondContact O-N 3.24Å; Q32-T43 HydrophobicContact CB-CG2 3.49Å; Q32-T43 VanDerWaalsContact CB-CG2 3.49Å; Q32-T43 HydrophobicContact CG-CG2 4.23Å; Q32-Y61 CarbonylContact C-O 3.55Å; Q32-Y61 WeakPolarHBondContact CA-O 3Å; Q32-Y61 WeakPolarHBondContact CG-O 3.36Å; Q32-Y62 WeakPolarHBondContact CG-O 3.24Å; Q32-Y62 PolarHBondContact NE2-O 3.25Å
33H89.8Confident87.8Confident26 Ų2655.9 Ų55.912%0.1233%0.326CS..  trans-130.8139.2170.669.4119.2000111.3S35 A40 Y61 Y62H33-S35 PolarHBondContact ND1-O 3.32Å; H33-A40 HydrophobicContact CB-CB 3.97Å; H33-Y61 PolarHBondContact CD2-O 3.15Å; H33-Y61 VanDerWaalsContact CD2-O 3.24Å; H33-Y61 PolarHBondContact N-O 3.17Å; H33-Y62 AromaticContact CE1-CD1 3.73Å; H33-Y62 AromaticContact CE1-CE1 3.24Å; H33-Y62 WeakPolarHBondContact CE1-CE1 3.28Å; H33-Y62 AromaticContact CE1-CE2 3.62Å; H33-Y62 AromaticContact CE1-CZ 3.18Å; H33-Y62 AromaticContact ND1-CE1 3.78Å; H33-Y62 AromaticContact NE2-CD1 3.9Å; H33-Y62 AromaticContact NE2-CD2 3.75Å; H33-Y62 AromaticContact NE2-CE1 3.83Å; H33-Y62 AromaticContact NE2-CE2 3.66Å; H33-Y62 AromaticContact NE2-CG 3.87Å; H33-Y62 AromaticContact NE2-CZ 3.71Å
34S80.4Confident88.1Confident103 Ų10358.5 Ų58.572%0.7235%0.345SS*.SBendtrans-83.3-11.2-175.1-40.90000114
35S78.6Confident88.3Confident60 Ų6057.7 Ų57.742%0.4233%0.33SS..SBendtrans-157.4156.9-176.563.80000111.8H33 L37 G38H33-S35 PolarHBondContact ND1-O 3.32Å; S35-L37 PolarHBondContact O-N 3.29Å; S35-L37 VanDerWaalsContact O-N 3.1Å; S35-G38 PolarHBondContact O-N 3.19Å; S35-G38 WeakPolarHBondContact OG-CA 3.44Å; S35-G38 PolarHBondContact OG-N 2.97Å
36A74.8Confident88.5Confident81 Ų8155.9 Ų55.967%0.66932%0.323SS*.THydrogen-bonded Turntrans-57.2-28.7-175.300000114.7Y62A36-Y62 WeakPolarHBondContact CA-OH 3.35Å; A36-Y62 WeakPolarHBondContact CB-OH 3.42Å
37L78.3Confident88.5Confident180 Ų18058.6 Ų58.694%0.94234%0.342SS*.THydrogen-bonded Turntrans-107.76.6177.1-69.4161.1000112.5S35S35-L37 PolarHBondContact O-N 3.29Å; S35-L37 VanDerWaalsContact O-N 3.1Å
38G79.8Confident88.5Confident29 Ų2957.2 Ų57.230%0.29934%0.337SS..SBendtrans-79.6147.4-177.900000112.6S35S35-G38 PolarHBondContact O-N 3.19Å; S35-G38 WeakPolarHBondContact OG-CA 3.44Å; S35-G38 PolarHBondContact OG-N 2.97Å
39L87.2Confident88.2Confident114 Ų11460.6 Ų60.660%0.59735%0.354SS*.PPolyproline II helixtrans-68.8131.2171.6-69.4171000110.6L19L19-L39 HydrophobicContact CD2-CB 3.84Å; L19-L39 HydrophobicContact CD2-CD1 4.13Å; L19-L39 HydrophobicContact CD2-CG 4.39Å
40A91.2Very high88Confident13 Ų1358.2 Ų58.211%0.10734%0.344CS..PPolyproline II helixtrans-81.5141.4177.100000111.8C20 C31 Q32 H33 I60C20-A40 PolarHBondContact N-O 2.69Å; C31-A40 VanDerWaalsContact SG-CB 3.56Å; Q32-A40 CarbonylContact O-C 3.56Å; Q32-A40 WeakPolarHBondContact O-CA 3.08Å; H33-A40 HydrophobicContact CB-CB 3.97Å; A40-I60 HydrophobicContact CB-CG2 3.98Å
41R93Very high87.7Confident114 Ų11463.2 Ų63.243%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-133.5150.6178.1-70.5178.6178.482-2.7111.4G17 E18 L19 C20 Q32G17-R41 WeakPolarHBondContact O-CD 3.34Å; E18-R41 CarbonylContact O-C 3.59Å; E18-R41 WeakPolarHBondContact O-CA 3.3Å; E18-R41 WeakPolarHBondContact O-CB 3.22Å; L19-R41 HydrophobicContact CD2-CG 4.1Å; C20-R41 WeakPolarHBondContact SG-CA 3.26Å; C20-R41 PolarHBondContact SG-O 2.78Å; Q32-R41 PolarHBondContact N-O 3.22Å; Q32-R41 PolarHBondContact O-N 3.24Å
42C93.1Very high87.5Confident1 Ų163.2 Ų63.21%0.00737%0.367CS..EExtended strand (participates in β ladder)trans-64.3136.7173.5-66.80000109.5E15 N16 G17 E18 C20 C26 C30E15-C42 VanDerWaalsContact O-CB 3.23Å; E15-C42 WeakPolarHBondContact O-CB 3.26Å; N16-C42 CarbonylContact C-O 3.48Å; N16-C42 WeakPolarHBondContact CA-O 3.44Å; G17-C42 PolarHBondContact N-O 2.01Å; E18-C42 PolarHBondContact O-N 3.35Å; C20-C42 PolarHBondContact SG-N 3.2Å; C26-C42 WeakPolarHBondContact CA-SG 3.44Å; C26-C42 HydrophobicContact CB-CB 3.64Å; C26-C42 WeakPolarHBondContact CB-SG 3.4Å; C26-C42 WeakPolarHBondContact SG-CA 3.45Å; C26-C42 WeakPolarHBondContact SG-CB 2.96Å; C26-C42 CovalentContact SG-SG 2.03Å; C26-C42 PolarHBondContact SG-SG 3.45Å; C30-C42 WeakPolarHBondContact O-CA 3.28Å
43T94.4Very high87.1Confident53 Ų5361.6 Ų61.633%0.32536%0.36SS..  trans-148.5167175.4-167.80000110.6N16 S28 C30 Q32 C64N16-T43 WeakPolarHBondContact OD1-CA 3.32Å; S28-T43 WeakPolarHBondContact CB-O 3.45Å; S28-T43 PolarHBondContact OG-O 2.61Å; C30-T43 PolarHBondContact O-N 2.77Å; Q32-T43 HydrophobicContact CB-CG2 3.49Å; Q32-T43 VanDerWaalsContact CB-CG2 3.49Å; Q32-T43 HydrophobicContact CG-CG2 4.23Å; T43-C64 WeakPolarHBondContact CG2-SG 3.38Å
44S94.4Very high86.6Confident66 Ų6663 Ų6346%0.46237%0.371SS..PPolyproline II helixtrans-62.4149.4177.4-60.80000111.6N16 C64N16-S44 PolarHBondContact ND2-N 3.49Å; N16-S44 PolarHBondContact ND2-OG 3.31Å; S44-C64 PolarHBondContact O-SG 2.96Å; S44-C64 VanDerWaalsContact O-SG 3.35Å
45M92.5Very high86.2Confident51 Ų5166.8 Ų66.825%0.25137%0.374SS..PPolyproline II helixtrans-61.3159.8166.1-76.7178.5147.400110.7S28 N29 C30 S47 P65 E67S28-M45 WeakPolarHBondContact O-CG 3.06Å; N29-M45 HydrophobicContact CB-CE 4.09Å; C30-M45 HydrophobicContact CB-CG 4.5Å; M45-S47 PolarHBondContact O-N 2.66Å; M45-P65 WeakPolarHBondContact CB-O 3.2Å; M45-P65 HydrophobicContact CE-CG 4.23Å; M45-E67 HydrophobicContact CB-CB 4.48Å; M45-E67 HydrophobicContact CB-CG 3.57Å
46A91.4Very high85.7Confident9 Ų966.2 Ų66.27%0.07437%0.368CS..BIsolated β-bridgetrans-73.6127.2-179.700000111E51 C52 P65 C66 E67 C90A46-E51 WeakPolarHBondContact CB-O 3Å; A46-C52 HydrophobicContact CB-CB 3.97Å; A46-P65 PolarHBondContact N-O 2.9Å; A46-C66 CarbonylContact O-C 3.51Å; A46-C66 VanDerWaalsContact O-CA 3.28Å; A46-C66 WeakPolarHBondContact O-CA 3.01Å; A46-E67 PolarHBondContact O-N 3.01Å; A46-C90 VanDerWaalsContact CB-SG 3.5Å
47S92Very high85.5Confident57 Ų5770.9 Ų70.940%0.39938%0.381SS..PPolyproline II helixtrans-77170.4175.641.20000112.2M45 S50 C90M45-S47 PolarHBondContact O-N 2.66Å; S47-S50 WeakPolarHBondContact O-CB 3.09Å; S47-S50 PolarHBondContact O-N 3.25Å; S47-S50 VanDerWaalsContact O-N 3.11Å; S47-S50 PolarHBondContact O-OG 3.13Å; S47-S50 PolarHBondContact OG-OG 3.04Å; S47-C90 VanDerWaalsContact O-CB 3.26Å; S47-C90 WeakPolarHBondContact O-CB 3.38Å
48E89.8Confident85.1Confident89 Ų8971.9 Ų71.942%0.41637%0.374SS..THydrogen-bonded Turntrans-53.9142.1175.6-161.4-171.5-168.500111.2S50 L70E48-S50 PolarHBondContact O-N 3.09Å; E48-S50 VanDerWaalsContact O-N 3.09Å; E48-S50 PolarHBondContact O-OG 3.47Å; E48-L70 HydrophobicContact CB-CD1 4.14Å; E48-L70 HydrophobicContact CB-CD2 4.15Å; E48-L70 HydrophobicContact CG-CD2 4.1Å; E48-L70 VanDerWaalsContact N-CD1 3.32Å
49N84.7Confident85.2Confident96 Ų9671 Ų7151%0.51336%0.364SS..THydrogen-bonded Turntrans6014.3-177.3-52.1-57.2000114.8C90N49-C90 PolarHBondContact N-O 3.48Å
50S85.5Confident85.3Confident39 Ų3968.1 Ų68.127%0.27335%0.349SS..SBendtrans-100.5154.9176.4-51.90000111.5S47 E48 I89 C90S47-S50 WeakPolarHBondContact O-CB 3.09Å; S47-S50 PolarHBondContact O-N 3.25Å; S47-S50 VanDerWaalsContact O-N 3.11Å; S47-S50 PolarHBondContact O-OG 3.13Å; S47-S50 PolarHBondContact OG-OG 3.04Å; E48-S50 PolarHBondContact O-N 3.09Å; E48-S50 VanDerWaalsContact O-N 3.09Å; E48-S50 PolarHBondContact O-OG 3.47Å; S50-I89 WeakPolarHBondContact O-CA 3.07Å; S50-C90 PolarHBondContact O-N 3.29Å
51E86.5Confident85.1Confident104 Ų10468.1 Ų68.149%0.48635%0.346SS..EExtended strand (participates in β ladder)trans-63.8134.2175.1-64.8177.297.400111.6A46 K63 G88 I89A46-E51 WeakPolarHBondContact CB-O 3Å; E51-K63 HydrophobicContact CB-CD 4.27Å; E51-K63 IonicContact OE1-NZ 2.69Å; E51-K63 IonicContact OE2-NZ 3.45Å; E51-K63 PolarHBondContact OE2-NZ 3.39Å; E51-G88 CarbonylContact C-O 3.56Å; E51-G88 VanDerWaalsContact CA-O 3.3Å; E51-G88 WeakPolarHBondContact CA-O 3.19Å; E51-I89 HydrophobicContact CG-CD1 4.15Å
52C88.5Confident84.8Confident0 Ų066 Ų660%034%0.339CS..EExtended strand (participates in β ladder)trans-134.6161.1-179.156.20000112A46 C64 C66 C72 F87 G88 I89 C90A46-C52 HydrophobicContact CB-CB 3.97Å; C52-C64 VanDerWaalsContact CA-O 3.26Å; C52-C64 WeakPolarHBondContact CA-O 3.39Å; C52-C64 WeakPolarHBondContact CB-O 3.27Å; C52-C66 VanDerWaalsContact CB-SG 3.52Å; C52-C72 VanDerWaalsContact C-SG 3.52Å; C52-C72 HydrophobicContact CB-CB 3.97Å; C52-C72 WeakPolarHBondContact CB-SG 3.38Å; C52-C72 WeakPolarHBondContact SG-CA 3.37Å; C52-C72 WeakPolarHBondContact SG-CB 3.23Å; C52-C72 CovalentContact SG-SG 2.03Å; C52-C72 PolarHBondContact SG-SG 3.04Å; C52-F87 CarbonylContact O-C 3.49Å; C52-F87 WeakPolarHBondContact O-CA 3.35Å; C52-G88 PolarHBondContact N-O 2.73Å; C52-G88 PolarHBondContact O-N 2.77Å; C52-G88 PolarHBondContact SG-O 2.83Å; C52-G88 VanDerWaalsContact SG-O 3.35Å; C52-I89 VanDerWaalsContact SG-C 3.56Å; C52-C90 WeakPolarHBondContact CB-SG 3.45Å; C52-C90 VanDerWaalsContact SG-SG 3.66Å
53S83.8Confident84.5Confident8 Ų869.1 Ų69.16%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-110.6147.6164.4-162.30000110K63 C64 P65S53-K63 WeakPolarHBondContact CB-O 3.5Å; S53-K63 PolarHBondContact N-O 3.17Å; S53-C64 PolarHBondContact N-O 3.47Å; S53-P65 WeakPolarHBondContact O-CA 3.24Å
54V78.3Confident84.4Confident56 Ų5667.1 Ų67.134%0.33934%0.34SS..  trans-59.3140.3168.9-81.80000110.2T56 N86V54-T56 WeakPolarHBondContact O-CG2 3.42Å; V54-T56 PolarHBondContact O-N 2.87Å; V54-N86 HydrophobicContact CG2-CB 4.22Å
55K71.9Confident84.2Confident182 Ų18264.5 Ų64.579%0.79132%0.322SS*.  trans-60124.6-179.5-166.1177.3-177.7179.30109.9Y61K55-Y61 VanDerWaalsContact CG-OH 3.3Å; K55-Y61 WeakPolarHBondContact CG-OH 3.48Å
56T69.6Low84.2Confident49 Ų4962.9 Ų62.930%0.30132%0.315SS..  trans-115.4158.5-179.970.50000110.7V54 Y58 Y61V54-T56 WeakPolarHBondContact O-CG2 3.42Å; V54-T56 PolarHBondContact O-N 2.87Å; T56-Y58 PolarHBondContact O-N 3.39Å; T56-Y61 HydrophobicContact CG2-CE1 4.37Å; T56-Y61 PolarHBondContact N-OH 3.05Å; T56-Y61 PolarHBondContact O-OH 3.05Å; T56-Y61 VanDerWaalsContact O-OH 3.05Å
57L69.4Low84.2Confident179 Ų17967 Ų6794%0.93733%0.333SS*.THydrogen-bonded Turntrans-71.1-19.8179.7-127.581.1000113.2G59L57-G59 PolarHBondContact O-N 3.24Å
58Y71.1Confident84Confident201 Ų20175.9 Ų75.979%0.78836%0.358SS*.THydrogen-bonded Turntrans-71.2-17.1-172.5-61.2-72.8000113.6T56 I60T56-Y58 PolarHBondContact O-N 3.39Å; Y58-I60 PolarHBondContact O-N 3.3Å; Y58-I60 VanDerWaalsContact O-N 3.15Å
59G81.8Confident83.9Confident9 Ų974 Ų749%0.09336%0.362CS..SBendtrans69.39.1172.900000115S23 L57S23-G59 VanDerWaalsContact CB-O 3.24Å; S23-G59 WeakPolarHBondContact CB-O 3.15Å; S23-G59 PolarHBondContact N-O 3.18Å; S23-G59 PolarHBondContact OG-O 2.86Å; L57-G59 PolarHBondContact O-N 3.24Å
60I88.3Confident84.1Confident55 Ų5571 Ų7128%0.28235%0.346SS..  trans-131.4141.5169.8-54.7176000107.1M21 C31 A40 Y58M21-I60 WeakPolarHBondContact O-CD1 3.35Å; C31-I60 CarbonylContact O-C 3.49Å; C31-I60 WeakPolarHBondContact O-CA 3.11Å; A40-I60 HydrophobicContact CB-CG2 3.98Å; Y58-I60 PolarHBondContact O-N 3.3Å; Y58-I60 VanDerWaalsContact O-N 3.15Å
61Y87.4Confident84.2Confident12 Ų1272.2 Ų72.25%0.04735%0.351CS..BIsolated β-bridgetrans-130.1146.6-170-66.6-84.4000113.2C31 Q32 H33 K55 T56 K63 P65C31-Y61 PolarHBondContact O-N 3.04Å; Q32-Y61 CarbonylContact C-O 3.55Å; Q32-Y61 WeakPolarHBondContact CA-O 3Å; Q32-Y61 WeakPolarHBondContact CG-O 3.36Å; H33-Y61 PolarHBondContact CD2-O 3.15Å; H33-Y61 VanDerWaalsContact CD2-O 3.24Å; H33-Y61 PolarHBondContact N-O 3.17Å; K55-Y61 VanDerWaalsContact CG-OH 3.3Å; K55-Y61 WeakPolarHBondContact CG-OH 3.48Å; T56-Y61 HydrophobicContact CG2-CE1 4.37Å; T56-Y61 PolarHBondContact N-OH 3.05Å; T56-Y61 PolarHBondContact O-OH 3.05Å; T56-Y61 VanDerWaalsContact O-OH 3.05Å; Y61-K63 WeakPolarHBondContact CB-O 3.43Å; Y61-P65 HydrophobicContact CE2-CG 4.4Å
62Y85.4Confident84.2Confident71 Ų7168.2 Ų68.228%0.27834%0.335SS..SBendtrans-76.4-36.8164.8-77.1-81.8000112.2Q32 H33 A36 N84Q32-Y62 WeakPolarHBondContact CG-O 3.24Å; Q32-Y62 PolarHBondContact NE2-O 3.25Å; H33-Y62 AromaticContact CE1-CD1 3.73Å; H33-Y62 AromaticContact CE1-CE1 3.24Å; H33-Y62 WeakPolarHBondContact CE1-CE1 3.28Å; H33-Y62 AromaticContact CE1-CE2 3.62Å; H33-Y62 AromaticContact CE1-CZ 3.18Å; H33-Y62 AromaticContact ND1-CE1 3.78Å; H33-Y62 AromaticContact NE2-CD1 3.9Å; H33-Y62 AromaticContact NE2-CD2 3.75Å; H33-Y62 AromaticContact NE2-CE1 3.83Å; H33-Y62 AromaticContact NE2-CE2 3.66Å; H33-Y62 AromaticContact NE2-CG 3.87Å; H33-Y62 AromaticContact NE2-CZ 3.71Å; A36-Y62 WeakPolarHBondContact CA-OH 3.35Å; A36-Y62 WeakPolarHBondContact CB-OH 3.42Å; Y62-N84 VanDerWaalsContact CD2-OD1 3.31Å; Y62-N84 WeakPolarHBondContact CD2-OD1 3.5Å
63K88.2Confident83.9Confident66 Ų6672.6 Ų72.629%0.28736%0.355SS..SBendtrans-132.2133.9172.4-64.4-75.3-175.41620107.8E51 S53 Y61 F87E51-K63 HydrophobicContact CB-CD 4.27Å; E51-K63 IonicContact OE1-NZ 2.69Å; E51-K63 IonicContact OE2-NZ 3.45Å; E51-K63 PolarHBondContact OE2-NZ 3.39Å; S53-K63 WeakPolarHBondContact CB-O 3.5Å; S53-K63 PolarHBondContact N-O 3.17Å; Y61-K63 WeakPolarHBondContact CB-O 3.43Å; K63-F87 HydrophobicContact CB-CD1 3.86Å; K63-F87 HydrophobicContact CB-CE1 3.88Å; K63-F87 HydrophobicContact CG-CD1 3.5Å; K63-F87 HydrophobicContact CG-CE1 3.42Å; K63-F87 VanDerWaalsContact CG-CE1 3.42Å; K63-F87 HydrophobicContact CG-CE2 4.47Å; K63-F87 HydrophobicContact CG-CG 4.12Å; K63-F87 HydrophobicContact CG-CZ 3.95Å
64C91.4Very high83.3Confident10 Ų1073.4 Ų73.47%0.06837%0.365CS..PPolyproline II helixtrans-64.1150.9-176.6-72.30000112.4C30 T43 S44 C52 S53C30-C64 HydrophobicContact CB-CB 3.86Å; C30-C64 WeakPolarHBondContact CB-SG 3.39Å; C30-C64 WeakPolarHBondContact SG-CA 3.15Å; C30-C64 WeakPolarHBondContact SG-CB 2.97Å; C30-C64 CovalentContact SG-SG 2.01Å; C30-C64 PolarHBondContact SG-SG 2.64Å; T43-C64 WeakPolarHBondContact CG2-SG 3.38Å; S44-C64 PolarHBondContact O-SG 2.96Å; S44-C64 VanDerWaalsContact O-SG 3.35Å; C52-C64 VanDerWaalsContact CA-O 3.26Å; C52-C64 WeakPolarHBondContact CA-O 3.39Å; C52-C64 WeakPolarHBondContact CB-O 3.27Å; S53-C64 PolarHBondContact N-O 3.47Å
65P90.5Very high82.4Confident12 Ų1276.6 Ų76.68%0.07838%0.38CS..PPolyproline II helixtrans-65159.9166.429.5-34.3000110.4M45 A46 S53 Y61M45-P65 WeakPolarHBondContact CB-O 3.2Å; M45-P65 HydrophobicContact CE-CG 4.23Å; A46-P65 PolarHBondContact N-O 2.9Å; S53-P65 WeakPolarHBondContact O-CA 3.24Å; Y61-P65 HydrophobicContact CE2-CG 4.4Å
66C91.8Very high81.7Confident16 Ų1676.3 Ų76.311%0.10838%0.379CS..BIsolated β-bridgetrans-65156.5179-53.30000112.9A46 C52 L70 C90A46-C66 CarbonylContact O-C 3.51Å; A46-C66 VanDerWaalsContact O-CA 3.28Å; A46-C66 WeakPolarHBondContact O-CA 3.01Å; C52-C66 VanDerWaalsContact CB-SG 3.52Å; C66-L70 HydrophobicContact CB-CB 3.62Å; C66-L70 HydrophobicContact CB-CD1 4.42Å; C66-C90 WeakPolarHBondContact CA-SG 3.35Å; C66-C90 HydrophobicContact CB-CB 3.86Å; C66-C90 WeakPolarHBondContact CB-SG 3.47Å; C66-C90 WeakPolarHBondContact SG-CA 3.02Å; C66-C90 WeakPolarHBondContact SG-CB 3.41Å; C66-C90 CovalentContact SG-SG 2.02Å; C66-C90 PolarHBondContact SG-SG 3.15Å
67E92.4Very high81Confident96 Ų9677.1 Ų77.145%0.44938%0.384SS..PPolyproline II helixtrans-58.9160.9167.2-70.3-174.3126.500112M45 A46 G69 L70M45-E67 HydrophobicContact CB-CB 4.48Å; M45-E67 HydrophobicContact CB-CG 3.57Å; A46-E67 PolarHBondContact O-N 3.01Å; E67-G69 PolarHBondContact O-N 2.93Å; E67-L70 HydrophobicContact CB-CD1 4.19Å; E67-L70 PolarHBondContact O-N 3.2Å; E67-L70 VanDerWaalsContact O-N 3.17Å
68R87.6Confident80.2Confident244 Ų24475.1 Ų75.192%0.92137%0.373SS*.THydrogen-bonded Turntrans-61.2133.7177.9-67.9-176.7-177.8-173.51.5109.9
69G87.2Confident79.3Confident49 Ų4970.3 Ų70.351%0.50536%0.364SS..THydrogen-bonded Turntrans98.1-12.5-17700000113.7E67 A93E67-G69 PolarHBondContact O-N 2.93Å; G69-A93 WeakPolarHBondContact O-CB 3.36Å; G69-A93 PolarHBondContact O-N 2.9Å
70L89.3Confident77.9Confident34 Ų3470.2 Ų70.218%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-105.8148.6177.6-56.4177.2000111.1E48 C66 E67 C90 H91 D92E48-L70 HydrophobicContact CB-CD1 4.14Å; E48-L70 HydrophobicContact CB-CD2 4.15Å; E48-L70 HydrophobicContact CG-CD2 4.1Å; E48-L70 VanDerWaalsContact N-CD1 3.32Å; C66-L70 HydrophobicContact CB-CB 3.62Å; C66-L70 HydrophobicContact CB-CD1 4.42Å; E67-L70 HydrophobicContact CB-CD1 4.19Å; E67-L70 PolarHBondContact O-N 3.2Å; E67-L70 VanDerWaalsContact O-N 3.17Å; L70-C90 HydrophobicContact CB-CB 4.19Å; L70-C90 HydrophobicContact CD1-CB 3.97Å; L70-H91 CarbonylContact C-O 3.5Å; L70-H91 VanDerWaalsContact CA-O 3.31Å; L70-H91 WeakPolarHBondContact CA-O 3.46Å; L70-D92 HydrophobicContact CD2-CB 4.35Å
71T87.6Confident76.1Confident63 Ų6370.7 Ų70.739%0.38737%0.371SS..EExtended strand (participates in β ladder)trans-110.3131.1173.8-56.50000109E73 C90 H91T71-E73 HydrophobicContact CG2-CG 4.42Å; T71-E73 PolarHBondContact O-N 2.8Å; T71-C90 WeakPolarHBondContact O-CA 3.49Å; T71-H91 PolarHBondContact N-O 2.88Å; T71-H91 PolarHBondContact O-N 3.05Å
72C86.4Confident74.4Confident21 Ų2176.6 Ų76.614%0.14240%0.402CS..EExtended strand (participates in β ladder)trans-79.6100.3173.8-170.50000109.4C52C52-C72 VanDerWaalsContact C-SG 3.52Å; C52-C72 HydrophobicContact CB-CB 3.97Å; C52-C72 WeakPolarHBondContact CB-SG 3.38Å; C52-C72 WeakPolarHBondContact SG-CA 3.37Å; C52-C72 WeakPolarHBondContact SG-CB 3.23Å; C52-C72 CovalentContact SG-SG 2.03Å; C52-C72 PolarHBondContact SG-SG 3.04Å
73E81.4Confident72.9Confident92 Ų9277 Ų7743%0.4341%0.412SS..EExtended strand (participates in β ladder)trans-90.6100.3176.2-61.9-165.392.800109.2T71 G88 I89 H91T71-E73 HydrophobicContact CG2-CG 4.42Å; T71-E73 PolarHBondContact O-N 2.8Å; E73-G88 CarbonylContact O-C 3.47Å; E73-G88 WeakPolarHBondContact O-CA 3.24Å; E73-I89 PolarHBondContact N-O 3.42Å; E73-I89 PolarHBondContact O-N 2.02Å; E73-H91 VanDerWaalsContact OE2-CB 3.3Å; E73-H91 WeakPolarHBondContact OE2-CB 3.14Å; E73-H91 IonicContact OE2-CD2 3.1Å; E73-H91 PolarHBondContact OE2-CD2 3.1Å; E73-H91 IonicContact OE2-CG 2.66Å
74G71.2Confident71.1Confident25 Ų2578 Ų7826%0.25842%0.42SS..EExtended strand (participates in β ladder)trans-129.6162.1177.100000111.9K76G74-K76 PolarHBondContact O-N 2.85Å
75D60.4Low69.5Low122 Ų12281.1 Ų81.165%0.65244%0.44SS*.  trans-63.5103.2176-117.8-76.6000109.5T77 N86D75-T77 PolarHBondContact O-N 3.24Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.48Å; D75-N86 PolarHBondContact O-OD1 2.93Å; D75-N86 VanDerWaalsContact O-OD1 3.07Å
76K57.9Low68.1Low176 Ų17682 Ų8277%0.76544%0.444SS*.  trans-80.237.8178.6-59.7178.5-174.5175.70111.5G74G74-K76 PolarHBondContact O-N 2.85Å
77T55.1Low67.4Low67 Ų6784 Ų8441%0.41145%0.45SS..  trans-77.7148.8-179580000110.3D75 V79 G80 S81D75-T77 PolarHBondContact O-N 3.24Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.48Å; T77-V79 PolarHBondContact O-N 3.06Å; T77-G80 PolarHBondContact O-N 3.4Å; T77-G80 VanDerWaalsContact O-N 3.13Å; T77-S81 PolarHBondContact O-N 2.03Å; T77-S81 PolarHBondContact O-OG 3.4Å; T77-S81 VanDerWaalsContact O-OG 3.09Å
78I51.5Low66.9Low137 Ų13779.6 Ų79.670%0.70343%0.431SS*.Hα-helixtrans-56.6-37.9179.5-65.9167.5000110.3S81 I82I78-S81 WeakPolarHBondContact O-CB 3.26Å; I78-S81 PolarHBondContact O-N 2.93Å; I78-I82 HydrophobicContact CG2-CD1 3.71Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CD1 3.41Å; I78-I82 WeakPolarHBondContact O-CG1 3.35Å; I78-I82 PolarHBondContact O-N 2.72Å
79V52.6Low66.8Low100 Ų10070.9 Ų70.961%0.60640%0.403SS*.Hα-helixtrans-63.4-48.8176.4177.10000111.2T77 S81 I82 T83T77-V79 PolarHBondContact O-N 3.06Å; V79-S81 PolarHBondContact O-N 2.79Å; V79-I82 PolarHBondContact O-N 2.86Å; V79-T83 HydrophobicContact CG1-CG2 4.41Å; V79-T83 PolarHBondContact O-N 3.33Å; V79-T83 PolarHBondContact O-OG1 3.46Å
80G52.6Low66.9Low7 Ų768.6 Ų68.67%0.07238%0.378CS..Hα-helixtrans-60.4-29.7176.400000113.8T77 N84 T85 N86T77-G80 PolarHBondContact O-N 3.4Å; T77-G80 VanDerWaalsContact O-N 3.13Å; G80-N84 PolarHBondContact O-N 3.47Å; G80-N84 VanDerWaalsContact O-N 3.15Å; G80-T85 PolarHBondContact O-N 3.31Å; G80-N86 VanDerWaalsContact C-CG 3.4Å; G80-N86 WeakPolarHBondContact CA-OD1 3.4Å; G80-N86 PolarHBondContact O-N 3.06Å; G80-N86 PolarHBondContact O-OD1 2.9Å
81S51Low66.9Low65 Ų6569.3 Ų69.346%0.45538%0.381SS..Hα-helixtrans-74.3-33.9174.4-540000113.5T77 I78 V79 N86T77-S81 PolarHBondContact O-N 2.03Å; T77-S81 PolarHBondContact O-OG 3.4Å; T77-S81 VanDerWaalsContact O-OG 3.09Å; I78-S81 WeakPolarHBondContact O-CB 3.26Å; I78-S81 PolarHBondContact O-N 2.93Å; V79-S81 PolarHBondContact O-N 2.79Å; S81-N86 WeakPolarHBondContact CA-ND2 3.45Å; S81-N86 WeakPolarHBondContact CB-ND2 3.31Å; S81-N86 PolarHBondContact N-ND2 2.94Å; S81-N86 PolarHBondContact N-OD1 3.28Å; S81-N86 VanDerWaalsContact N-OD1 3.17Å; S81-N86 PolarHBondContact OG-ND2 2.65Å; S81-N86 PolarHBondContact OG-OD1 3.15Å
82I49.9Very low66.8Low135 Ų13569.6 Ų69.669%0.69238%0.38SS*.Hα-helixtrans-75.5-39.3175.8-65.8162.3000110.5I78 V79I78-I82 HydrophobicContact CG2-CD1 3.71Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CD1 3.41Å; I78-I82 WeakPolarHBondContact O-CG1 3.35Å; I78-I82 PolarHBondContact O-N 2.72Å; V79-I82 PolarHBondContact O-N 2.86Å
83T54.6Low66Low79 Ų7970.7 Ų70.749%0.48539%0.39SS..THydrogen-bonded Turntrans-87.20.8-177.855.40000114.3V79 T85V79-T83 HydrophobicContact CG1-CG2 4.41Å; V79-T83 PolarHBondContact O-N 3.33Å; V79-T83 PolarHBondContact O-OG1 3.46Å; T83-T85 WeakPolarHBondContact CB-OG1 3.2Å; T83-T85 PolarHBondContact O-N 3.01Å; T83-T85 VanDerWaalsContact O-N 3.17Å; T83-T85 PolarHBondContact OG1-OG1 2.76Å
84N51.1Low65.2Low87 Ų8768.8 Ų68.847%0.46540%0.395SS..THydrogen-bonded Turntrans56.924.4-176.3-143.5-86.9000113.8Y62 G80Y62-N84 VanDerWaalsContact CD2-OD1 3.31Å; Y62-N84 WeakPolarHBondContact CD2-OD1 3.5Å; G80-N84 PolarHBondContact O-N 3.47Å; G80-N84 VanDerWaalsContact O-N 3.15Å
85T57.2Low64.5Low77 Ų7775.9 Ų75.947%0.47241%0.414SS..  trans-109.632.2175.635.80000111.1G80 T83 F87G80-T85 PolarHBondContact O-N 3.31Å; T83-T85 WeakPolarHBondContact CB-OG1 3.2Å; T83-T85 PolarHBondContact O-N 3.01Å; T83-T85 VanDerWaalsContact O-N 3.17Å; T83-T85 PolarHBondContact OG1-OG1 2.76Å; T85-F87 HydrophobicContact CG2-CD2 4.02Å; T85-F87 HydrophobicContact CG2-CE2 3.61Å; T85-F87 HydrophobicContact CG2-CZ 4.42Å; T85-F87 PolarHBondContact O-N 2.88Å
86N61.8Low64.1Low30 Ų3073.4 Ų73.416%0.1641%0.407CS..  trans-69.456.4161.3-74.6-34.2000110V54 D75 G80 S81V54-N86 HydrophobicContact CG2-CB 4.22Å; D75-N86 PolarHBondContact O-OD1 2.93Å; D75-N86 VanDerWaalsContact O-OD1 3.07Å; G80-N86 VanDerWaalsContact C-CG 3.4Å; G80-N86 WeakPolarHBondContact CA-OD1 3.4Å; G80-N86 PolarHBondContact O-N 3.06Å; G80-N86 PolarHBondContact O-OD1 2.9Å; S81-N86 WeakPolarHBondContact CA-ND2 3.45Å; S81-N86 WeakPolarHBondContact CB-ND2 3.31Å; S81-N86 PolarHBondContact N-ND2 2.94Å; S81-N86 PolarHBondContact N-OD1 3.28Å; S81-N86 VanDerWaalsContact N-OD1 3.17Å; S81-N86 PolarHBondContact OG-ND2 2.65Å; S81-N86 PolarHBondContact OG-OD1 3.15Å
87F75.7Confident63.8Low57 Ų5774.1 Ų74.125%0.2541%0.41CS..EExtended strand (participates in β ladder)trans-83136.2170.8-56.9-44.9000108C52 K63 T85C52-F87 CarbonylContact O-C 3.49Å; C52-F87 WeakPolarHBondContact O-CA 3.35Å; K63-F87 HydrophobicContact CB-CD1 3.86Å; K63-F87 HydrophobicContact CB-CE1 3.88Å; K63-F87 HydrophobicContact CG-CD1 3.5Å; K63-F87 HydrophobicContact CG-CE1 3.42Å; K63-F87 VanDerWaalsContact CG-CE1 3.42Å; K63-F87 HydrophobicContact CG-CE2 4.47Å; K63-F87 HydrophobicContact CG-CG 4.12Å; K63-F87 HydrophobicContact CG-CZ 3.95Å; T85-F87 HydrophobicContact CG2-CD2 4.02Å; T85-F87 HydrophobicContact CG2-CE2 3.61Å; T85-F87 HydrophobicContact CG2-CZ 4.42Å; T85-F87 PolarHBondContact O-N 2.88Å
88G83.4Confident63.2Low5 Ų582.9 Ų82.95%0.05245%0.446CS..EExtended strand (participates in β ladder)trans-123.1-172.617400000110.7E51 C52 E73E51-G88 CarbonylContact C-O 3.56Å; E51-G88 VanDerWaalsContact CA-O 3.3Å; E51-G88 WeakPolarHBondContact CA-O 3.19Å; C52-G88 PolarHBondContact N-O 2.73Å; C52-G88 PolarHBondContact O-N 2.77Å; C52-G88 PolarHBondContact SG-O 2.83Å; C52-G88 VanDerWaalsContact SG-O 3.35Å; E73-G88 CarbonylContact O-C 3.47Å; E73-G88 WeakPolarHBondContact O-CA 3.24Å
89I85.7Confident63.8Low61 Ų6180.2 Ų80.231%0.31343%0.433SS..EExtended strand (participates in β ladder)trans-114.9137.7170.7-58.2-61.2000108.5S50 E51 C52 E73 H91S50-I89 WeakPolarHBondContact O-CA 3.07Å; E51-I89 HydrophobicContact CG-CD1 4.15Å; C52-I89 VanDerWaalsContact SG-C 3.56Å; E73-I89 PolarHBondContact N-O 3.42Å; E73-I89 PolarHBondContact O-N 2.02Å; I89-H91 PolarHBondContact O-N 3.45Å
90C89.5Confident64.4Low0 Ų079.1 Ų79.10%042%0.424CS..EExtended strand (participates in β ladder)trans-73.2121.4174.5-63.40000110.9A46 S47 N49 S50 C52 C66 L70 T71A46-C90 VanDerWaalsContact CB-SG 3.5Å; S47-C90 VanDerWaalsContact O-CB 3.26Å; S47-C90 WeakPolarHBondContact O-CB 3.38Å; N49-C90 PolarHBondContact N-O 3.48Å; S50-C90 PolarHBondContact O-N 3.29Å; C52-C90 WeakPolarHBondContact CB-SG 3.45Å; C52-C90 VanDerWaalsContact SG-SG 3.66Å; C66-C90 WeakPolarHBondContact CA-SG 3.35Å; C66-C90 HydrophobicContact CB-CB 3.86Å; C66-C90 WeakPolarHBondContact CB-SG 3.47Å; C66-C90 WeakPolarHBondContact SG-CA 3.02Å; C66-C90 WeakPolarHBondContact SG-CB 3.41Å; C66-C90 CovalentContact SG-SG 2.02Å; C66-C90 PolarHBondContact SG-SG 3.15Å; L70-C90 HydrophobicContact CB-CB 4.19Å; L70-C90 HydrophobicContact CD1-CB 3.97Å; T71-C90 WeakPolarHBondContact O-CA 3.49Å
91H87.8Confident65Low50 Ų5083.1 Ų83.123%0.23144%0.444CS..EExtended strand (participates in β ladder)trans-122.1151172.3-71-58.1000111.1L70 T71 E73 I89 A93L70-H91 CarbonylContact C-O 3.5Å; L70-H91 VanDerWaalsContact CA-O 3.31Å; L70-H91 WeakPolarHBondContact CA-O 3.46Å; T71-H91 PolarHBondContact N-O 2.88Å; T71-H91 PolarHBondContact O-N 3.05Å; E73-H91 VanDerWaalsContact OE2-CB 3.3Å; E73-H91 WeakPolarHBondContact OE2-CB 3.14Å; E73-H91 IonicContact OE2-CD2 3.1Å; E73-H91 PolarHBondContact OE2-CD2 3.1Å; E73-H91 IonicContact OE2-CG 2.66Å; I89-H91 PolarHBondContact O-N 3.45Å; H91-A93 PolarHBondContact O-N 3.3Å
92D85.4Confident65.9Low69 Ų6984.2 Ų84.237%0.36944%0.443SS..EExtended strand (participates in β ladder)trans-59128.3175.7-177-94.7000111.4L70 G94 R95L70-D92 HydrophobicContact CD2-CB 4.35Å; D92-G94 PolarHBondContact O-N 3.2Å; D92-G94 WeakPolarHBondContact OD1-CA 3.35Å; D92-G94 PolarHBondContact OD1-N 3.26Å; D92-R95 HydrophobicContact CB-CB 4.31Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 3.19Å; D92-R95 PolarHBondContact OD1-N 3.03Å
93A71Confident66.9Low43 Ų4381 Ų8136%0.35543%0.427SS..THydrogen-bonded Turntrans-63.5-22.8-177.600000112.8G69 H91G69-A93 WeakPolarHBondContact O-CB 3.36Å; G69-A93 PolarHBondContact O-N 2.9Å; H91-A93 PolarHBondContact O-N 3.3Å
94G64.5Low67.7Low52 Ų5281.1 Ų81.154%0.53642%0.424SS..THydrogen-bonded Turntrans-75.3-25.3173.700000113.5D92D92-G94 PolarHBondContact O-N 3.2Å; D92-G94 WeakPolarHBondContact OD1-CA 3.35Å; D92-G94 PolarHBondContact OD1-N 3.26Å
95R56Low68.9Low174 Ų17480.7 Ų80.766%0.65742%0.421SS*.G310 helixtrans-77.8-26.4178.1-159.6175.1-177.1172.2-0.9113.3D92 K97D92-R95 HydrophobicContact CB-CB 4.31Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 3.19Å; D92-R95 PolarHBondContact OD1-N 3.03Å; R95-K97 PolarHBondContact O-N 3.29Å
96S52.4Low69.8Low70 Ų7081 Ų8149%0.4942%0.417SS..G310 helixtrans-73.1-0177.8-155.30000113.6
97K51Low70.4Confident192 Ų19285.3 Ų85.384%0.83544%0.438SS*.G310 helixtrans-103.87.9-178.1-74-89.8-176.5177.10114.3R95R95-K97 PolarHBondContact O-N 3.29Å
98Q42.8Very low70Confident250 Ų25087.8 Ų87.8100%1.16846%0.455SS*.  trans-114.40-178.2-158.3155.3104.300112.1

Retrieved 98 of 98 residues in 573.4 ms (Link to these results)