A0A077Z9N4_TRITR Loading...

Transthyretin-like protein 46

AlphaFold DB , UniProt , Accession A0A077Z9N4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1M41.6Very low56Low250 Ų250154.8 Ų154.8100%1.23278%0.779SS**  0900-78.6168.1152.100108.1
2L45.2Very low56.2Low153 Ų153152.6 Ų152.680%0.80178%0.779SS**  trans-145.7113.1177.1-168.973.4000108.1
3R61.1Low56.5Low228 Ų228150.7 Ų150.786%0.8677%0.77SS**  trans-178.493.1134.5-96.8170.5-167.6-149.73.6105.4S5R3-S5 PolarHBondContact O-N 2.99Å
4L55Low56.7Low149 Ų149147.5 Ų147.578%0.7877%0.768SS**  trans-49.595.6153.1-86.575.6000105.8F6L4-F6 PolarHBondContact O-N 3.3Å
5S61.4Low56.7Low97 Ų97143.6 Ų143.668%0.67875%0.753SS**  trans-77.172.3164.5-66.60000105.8R3 L7R3-S5 PolarHBondContact O-N 2.99Å; S5-L7 PolarHBondContact O-N 3.21Å
6F57.3Low56.8Low147 Ų147138.4 Ų138.465%0.64574%0.737SS**  trans-71.560.9160.3-144-76.5000105.9L4 F8L4-F6 PolarHBondContact O-N 3.3Å; F6-F8 HydrophobicContact CD1-CD1 4.42Å; F6-F8 AromaticContact CD1-CD2 3.37Å; F6-F8 HydrophobicContact CD1-CD2 3.37Å; F6-F8 HydrophobicContact CD1-CE1 4.28Å; F6-F8 AromaticContact CD1-CE2 3.18Å; F6-F8 HydrophobicContact CD1-CE2 3.18Å; F6-F8 HydrophobicContact CD1-CG 4.01Å; F6-F8 AromaticContact CD1-CZ 3.69Å; F6-F8 HydrophobicContact CD1-CZ 3.69Å; F6-F8 HydrophobicContact CE1-CD1 4.13Å; F6-F8 AromaticContact CE1-CD2 3.82Å; F6-F8 HydrophobicContact CE1-CD2 3.82Å; F6-F8 AromaticContact CE1-CE1 3.69Å; F6-F8 HydrophobicContact CE1-CE1 3.69Å; F6-F8 AromaticContact CE1-CE2 3.32Å; F6-F8 HydrophobicContact CE1-CE2 3.32Å; F6-F8 HydrophobicContact CE1-CG 4.19Å; F6-F8 AromaticContact CE1-CZ 3.26Å; F6-F8 HydrophobicContact CE1-CZ 3.26Å; F6-F8 HydrophobicContact CG-CE2 4.32Å; F6-F8 HydrophobicContact CZ-CZ 4.31Å; F6-F8 PolarHBondContact O-N 3.13Å
7L57.5Low57.6Low146 Ų146137.9 Ų137.976%0.76473%0.734SS**  trans-69.587.5162.2-81.6161.7000103.5S5 L9S5-L7 PolarHBondContact O-N 3.21Å; L7-L9 PolarHBondContact O-N 3.03Å
8F56.7Low58.8Low151 Ų151133.1 Ų133.166%0.66272%0.717SS**  trans-43.491.4147.8-77.8-86.8000105.8F6 L10F6-F8 HydrophobicContact CD1-CD1 4.42Å; F6-F8 AromaticContact CD1-CD2 3.37Å; F6-F8 HydrophobicContact CD1-CD2 3.37Å; F6-F8 HydrophobicContact CD1-CE1 4.28Å; F6-F8 AromaticContact CD1-CE2 3.18Å; F6-F8 HydrophobicContact CD1-CE2 3.18Å; F6-F8 HydrophobicContact CD1-CG 4.01Å; F6-F8 AromaticContact CD1-CZ 3.69Å; F6-F8 HydrophobicContact CD1-CZ 3.69Å; F6-F8 HydrophobicContact CE1-CD1 4.13Å; F6-F8 AromaticContact CE1-CD2 3.82Å; F6-F8 HydrophobicContact CE1-CD2 3.82Å; F6-F8 AromaticContact CE1-CE1 3.69Å; F6-F8 HydrophobicContact CE1-CE1 3.69Å; F6-F8 AromaticContact CE1-CE2 3.32Å; F6-F8 HydrophobicContact CE1-CE2 3.32Å; F6-F8 HydrophobicContact CE1-CG 4.19Å; F6-F8 AromaticContact CE1-CZ 3.26Å; F6-F8 HydrophobicContact CE1-CZ 3.26Å; F6-F8 HydrophobicContact CG-CE2 4.32Å; F6-F8 HydrophobicContact CZ-CZ 4.31Å; F6-F8 PolarHBondContact O-N 3.13Å; F8-L10 HydrophobicContact CB-CD1 4.27Å; F8-L10 PolarHBondContact O-N 3.33Å
9L61.3Low60.4Low157 Ų157128.6 Ų128.682%0.82270%0.7SS**  trans-57.691.8146.5-120.384000102L7 S11L7-L9 PolarHBondContact O-N 3.03Å; L9-S11 PolarHBondContact O-N 3.44Å
10L59Low62.1Low144 Ų144129.2 Ų129.275%0.75470%0.697SS**  trans-55.589.4150.9-114.676.3000102.4F8 T12F8-L10 HydrophobicContact CB-CD1 4.27Å; F8-L10 PolarHBondContact O-N 3.33Å; L10-T12 PolarHBondContact O-N 2.81Å
11S60.3Low63.7Low81 Ų81124.6 Ų124.657%0.56667%0.672SS**  trans-51.9103.5161.3177.80000102.6L9 I13L9-S11 PolarHBondContact O-N 3.44Å; S11-I13 PolarHBondContact O-N 3.15Å; S11-I13 VanDerWaalsContact OG-CG1 3.25Å; S11-I13 WeakPolarHBondContact OG-CG1 3.48Å
12T58.2Low66.3Low128 Ų128114.7 Ų114.779%0.78563%0.626SS**  trans-64.679.4158.349.20000103.2L10 S14L10-T12 PolarHBondContact O-N 2.81Å; T12-S14 PolarHBondContact O-N 2.69Å
13I59.8Low68.9Low128 Ų128107.4 Ų107.466%0.65659%0.588SS**  trans-6286.4155.8-57.8178.6000101.1S11 T15S11-I13 PolarHBondContact O-N 3.15Å; S11-I13 VanDerWaalsContact OG-CG1 3.25Å; S11-I13 WeakPolarHBondContact OG-CG1 3.48Å; I13-T15 HydrophobicContact CG2-CG2 4Å; I13-T15 PolarHBondContact O-N 2.82Å
14S59.4Low70.6Confident106 Ų10697.1 Ų97.174%0.74155%0.551SS**  trans-57.292157.7-176.40000102T12 A16T12-S14 PolarHBondContact O-N 2.69Å; S14-A16 PolarHBondContact O-N 3.02Å
15T56.8Low72.7Confident89 Ų8990 Ų9055%0.54651%0.514SS..  trans-58.599.9166.544.30000102.3I13 L17I13-T15 HydrophobicContact CG2-CG2 4Å; I13-T15 PolarHBondContact O-N 2.82Å; T15-L17 PolarHBondContact O-N 3Å
16A58.8Low74.4Confident60 Ų6087.5 Ų87.550%0.49649%0.492SS..  trans-64.975.8160.200000104.1S14 A18S14-A16 PolarHBondContact O-N 3.02Å; A16-A18 PolarHBondContact O-N 3.44Å
17L70.5Confident76.4Confident131 Ų13181 Ų8169%0.68647%0.466SS*.PPolyproline II helixtrans-55.4130.6174.6-67.5171.5000104.8T15 A19T15-L17 PolarHBondContact O-N 3Å; L17-A19 PolarHBondContact O-N 3.4Å
18A79.2Confident78.2Confident51 Ų5176.3 Ų76.342%0.42144%0.441SS..PPolyproline II helixtrans-48.7120.1172.600000107.8A16 D75A16-A18 PolarHBondContact O-N 3.44Å; A18-D75 WeakPolarHBondContact CB-O 3.07Å
19A89.1Confident80.2Confident48 Ų4869.3 Ų69.340%0.39741%0.41SS..PPolyproline II helixtrans-90.1123.3-175.400000108.4L17 Q21L17-A19 PolarHBondContact O-N 3.4Å; A19-Q21 PolarHBondContact O-N 3.18Å
20Q93.7Very high81.9Confident140 Ų14065.3 Ų65.365%0.65439%0.386SS*.PPolyproline II helixtrans-63.1129.6178-171.2-178.4-73.600111.2C72 S74Q20-C72 HydrophobicContact CG-CB 3.7Å; Q20-S74 VanDerWaalsContact CA-OG 3.23Å; Q20-S74 WeakPolarHBondContact CA-OG 3.39Å
21Q96Very high83.7Confident33 Ų3359.6 Ų59.615%0.15436%0.358CS..EExtended strand (participates in β ladder)trans-124.2134.7177.9-66.4168.121.800108.9A19 C72 A73 M79 T80 I81 V107A19-Q21 PolarHBondContact O-N 3.18Å; Q21-C72 CarbonylContact O-C 3.54Å; Q21-C72 WeakPolarHBondContact O-CA 3.49Å; Q21-C72 WeakPolarHBondContact O-CB 2.91Å; Q21-A73 PolarHBondContact N-O 3.12Å; Q21-A73 PolarHBondContact O-N 3.24Å; Q21-M79 PolarHBondContact NE2-O 2.89Å; Q21-T80 VanDerWaalsContact OE1-CA 3.23Å; Q21-I81 HydrophobicContact CB-CD1 4.13Å; Q21-I81 HydrophobicContact CB-CG1 4.07Å; Q21-I81 HydrophobicContact CB-CG2 4.09Å; Q21-V107 HydrophobicContact CB-CG1 3.83Å; Q21-V107 HydrophobicContact CG-CG1 4.32Å
22C96.9Very high85.4Confident42 Ų4256.7 Ų56.728%0.28434%0.341SS..EExtended strand (participates in β ladder)trans-119.9143.8-175.8-56.40000110.4G71 C72C22-G71 WeakPolarHBondContact CA-O 2.95Å; C22-C72 HydrophobicContact CB-CB 4.01Å; C22-C72 WeakPolarHBondContact CB-SG 3.48Å; C22-C72 WeakPolarHBondContact SG-CB 3.32Å; C22-C72 CovalentContact SG-SG 2.04Å; C22-C72 PolarHBondContact SG-SG 2.86Å
23L98.1Very high87Confident0 Ų056.2 Ų56.20%034%0.342CS..EExtended strand (participates in β ladder)trans-139.1134.8179.4-177.966.1000110.8V25 M56 H70 G71 P83 I102 V106L23-V25 HydrophobicContact CD2-CG2 3.62Å; L23-V25 HydrophobicContact CG-CG2 3.76Å; L23-M56 HydrophobicContact CB-CE 4.33Å; L23-H70 WeakPolarHBondContact O-CA 3.46Å; L23-G71 PolarHBondContact N-O 2.69Å; L23-G71 PolarHBondContact O-N 3.47Å; L23-P83 HydrophobicContact CD2-CB 3.56Å; L23-P83 HydrophobicContact CD2-CG 3.69Å; L23-I102 HydrophobicContact CD2-CG2 4.02Å; L23-V106 HydrophobicContact CD1-CG2 4.09Å
24T98.2Very high88.6Confident12 Ų1258.7 Ų58.77%0.07434%0.344CS..EExtended strand (participates in β ladder)trans-100.4125.8166.9-52.90000109.3L26 Y68 L69 H70 G110 I111 Y112T24-L26 HydrophobicContact CG2-CD2 4.26Å; T24-Y68 HydrophobicContact CG2-CD2 4.19Å; T24-Y68 HydrophobicContact CG2-CE1 4.08Å; T24-Y68 HydrophobicContact CG2-CE2 3.46Å; T24-Y68 VanDerWaalsContact CG2-CE2 3.46Å; T24-Y68 WeakPolarHBondContact CG2-OH 3.42Å; T24-L69 CarbonylContact C-O 3.58Å; T24-L69 WeakPolarHBondContact CA-O 3.45Å; T24-H70 PolarHBondContact OG1-ND1 2.03Å; T24-G110 PolarHBondContact N-O 3.31Å; T24-I111 CarbonylContact O-C 3.59Å; T24-I111 WeakPolarHBondContact O-CA 3.37Å; T24-Y112 PolarHBondContact O-N 3.44Å
25V98.3Very high90.1Very high0 Ų057.3 Ų57.30%033%0.331CS..EExtended strand (participates in β ladder)trans-119.5125.4176.6-171.20000109.8L23 L44 F67 L69 L85 I102 Y112 F114L23-V25 HydrophobicContact CD2-CG2 3.62Å; L23-V25 HydrophobicContact CG-CG2 3.76Å; V25-L44 HydrophobicContact CG2-CD1 3.8Å; V25-L44 HydrophobicContact CG2-CD2 4.32Å; V25-F67 HydrophobicContact CG1-CE2 4.21Å; V25-L69 PolarHBondContact N-O 2.87Å; V25-L69 PolarHBondContact O-N 2.7Å; V25-L85 HydrophobicContact CB-CD2 4.45Å; V25-L85 HydrophobicContact CG1-CD1 3.96Å; V25-L85 HydrophobicContact CG1-CD2 4.24Å; V25-L85 HydrophobicContact CG1-CG 4.34Å; V25-I102 HydrophobicContact CG1-CD1 4.27Å; V25-I102 HydrophobicContact CG2-CG1 4.44Å; V25-Y112 WeakPolarHBondContact CA-O 3.47Å; V25-Y112 HydrophobicContact CG1-CD1 4.13Å; V25-F114 HydrophobicContact CG1-CD2 4.32Å; V25-F114 HydrophobicContact CG1-CE2 3.73Å
26L97.8Very high91.8Very high43 Ų4354.7 Ų54.723%0.22532%0.318CS..EExtended strand (participates in β ladder)trans-134.6146.8178.862149.2000111.8T24 F67 Y68 I111 Y112 K113 F114T24-L26 HydrophobicContact CG2-CD2 4.26Å; L26-F67 WeakPolarHBondContact CA-O 3.49Å; L26-Y68 HydrophobicContact CB-CD2 4.1Å; L26-I111 HydrophobicContact CD2-CG2 3.69Å; L26-Y112 PolarHBondContact N-O 2.98Å; L26-K113 HydrophobicContact CD1-CB 4.3Å; L26-K113 HydrophobicContact CD1-CD 4.06Å; L26-K113 HydrophobicContact CD1-CG 3.98Å; L26-K113 HydrophobicContact CD2-CB 4.16Å; L26-K113 HydrophobicContact CG-CB 3.98Å; L26-K113 HydrophobicContact CG-CG 4.01Å; L26-K113 WeakPolarHBondContact O-CA 3.32Å; L26-F114 PolarHBondContact O-N 2.95Å
27G97.9Very high93.2Very high10 Ų1059.1 Ų59.110%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-175.1-167.1-17800000112.3Y66 F67G27-Y66 WeakPolarHBondContact O-CA 3.43Å; G27-F67 PolarHBondContact N-O 2.97Å; G27-F67 WeakPolarHBondContact O-CD1 3.47Å; G27-F67 PolarHBondContact O-N 2.85Å
28Q97Very high94.2Very high48 Ų4858.5 Ų58.522%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-136.7140.1177.6-166.3-177.817.500110S64 G65 Y66 T117 I118Q28-S64 PolarHBondContact NE2-O 2.76Å; Q28-G65 CarbonylContact C-O 3.15Å; Q28-G65 VanDerWaalsContact CA-O 3.25Å; Q28-G65 WeakPolarHBondContact CA-O 3.42Å; Q28-Y66 HydrophobicContact CB-CD1 3.78Å; Q28-Y66 HydrophobicContact CB-CE1 3.84Å; Q28-Y66 VanDerWaalsContact CD-CE1 3.49Å; Q28-Y66 HydrophobicContact CG-CD1 3.82Å; Q28-Y66 HydrophobicContact CG-CE1 3.79Å; Q28-Y66 HydrophobicContact CG-CG 4.38Å; Q28-T117 HydrophobicContact CB-CG2 4Å; Q28-T117 HydrophobicContact CG-CG2 3.93Å; Q28-T117 CarbonylContact O-C 3.55Å; Q28-T117 WeakPolarHBondContact O-CA 3.37Å; Q28-T117 WeakPolarHBondContact O-CG2 3.43Å; Q28-T117 PolarHBondContact OE1-OG1 2.99Å; Q28-I118 PolarHBondContact O-N 3.37Å
29V97.6Very high94.7Very high4 Ų458.1 Ų58.12%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-113.5153.3173.2-65.10000111.4V40 A61 G65 F67 I87 I118 L120V29-V40 HydrophobicContact CG2-CB 4.31Å; V29-V40 HydrophobicContact CG2-CG1 4.13Å; V29-V40 HydrophobicContact CG2-CG2 4.34Å; V29-A61 HydrophobicContact CG2-CB 3.58Å; V29-G65 WeakPolarHBondContact CG2-O 3.34Å; V29-G65 PolarHBondContact N-O 2.75Å; V29-G65 WeakPolarHBondContact O-CA 3.43Å; V29-F67 HydrophobicContact CG1-CD1 4.24Å; V29-F67 HydrophobicContact CG1-CE1 4.04Å; V29-I87 HydrophobicContact CG1-CD1 4.4Å; V29-I118 CarbonylContact C-O 3.59Å; V29-I118 WeakPolarHBondContact CA-O 3.34Å; V29-I118 HydrophobicContact CG1-CB 4.17Å; V29-I118 HydrophobicContact CG1-CD1 4.41Å; V29-L120 HydrophobicContact CB-CD1 3.79Å; V29-L120 HydrophobicContact CB-CG 4.26Å; V29-L120 HydrophobicContact CG1-CD1 3.97Å; V29-L120 HydrophobicContact CG1-CG 4.35Å; V29-L120 HydrophobicContact CG2-CD1 4.35Å
30K97.5Very high94.9Very high74 Ų7456 Ų5632%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-145.5164.1172.168.4-177.7-175.3144.30111.5G32 T117 I118 D119 L120K30-G32 WeakPolarHBondContact CD-O 3.4Å; K30-G32 VanDerWaalsContact CE-O 3.25Å; K30-G32 WeakPolarHBondContact CE-O 3.4Å; K30-G32 PolarHBondContact NZ-O 2.6Å; K30-T117 HydrophobicContact CB-CG2 3.95Å; K30-T117 HydrophobicContact CD-CG2 3.76Å; K30-T117 HydrophobicContact CG-CG2 3.74Å; K30-I118 PolarHBondContact N-O 2.88Å; K30-D119 WeakPolarHBondContact CE-OD2 3.33Å; K30-D119 HydrophobicContact CG-CB 4.22Å; K30-D119 IonicContact NZ-OD2 2.66Å; K30-L120 PolarHBondContact O-N 2.94Å
31C97.1Very high94.9Very high24 Ų2450.2 Ų50.216%0.16227%0.273CS..BIsolated β-bridgetrans-109.689.9166.7-57.40000108.5S33 R34 C91C31-S33 PolarHBondContact O-N 2.93Å; C31-R34 CarbonylContact C-O 3.57Å; C31-R34 PolarHBondContact N-O 3.41Å; C31-R34 PolarHBondContact O-N 2.82Å; C31-R34 VanDerWaalsContact O-N 3.12Å; C31-C91 HydrophobicContact CB-CB 3.61Å; C31-C91 WeakPolarHBondContact CB-SG 3.08Å; C31-C91 WeakPolarHBondContact SG-CB 3.15Å; C31-C91 CovalentContact SG-SG 2.03Å; C31-C91 PolarHBondContact SG-SG 2.92Å
32G95.4Very high94.9Very high19 Ų1948.6 Ų48.620%0.19627%0.265CS..THydrogen-bonded Turntrans70.6-114.7178.800000112K30 D119 S121K30-G32 WeakPolarHBondContact CD-O 3.4Å; K30-G32 VanDerWaalsContact CE-O 3.25Å; K30-G32 WeakPolarHBondContact CE-O 3.4Å; K30-G32 PolarHBondContact NZ-O 2.6Å; G32-D119 WeakPolarHBondContact CA-OD1 3.15Å; G32-D119 WeakPolarHBondContact CA-OD2 3.23Å; G32-D119 PolarHBondContact N-OD1 2.96Å; G32-S121 WeakPolarHBondContact CA-OG 3Å; G32-S121 PolarHBondContact N-OG 3.42Å
33S92.5Very high94.8Very high118 Ų11848.9 Ų48.983%0.82526%0.262SS*.THydrogen-bonded Turntrans-93.52.8175.457.50000114C31C31-S33 PolarHBondContact O-N 2.93Å
34R92.9Very high94.7Very high180 Ų18048.9 Ų48.968%0.67926%0.262SS*.BIsolated β-bridgetrans-127160.5-172.4-56.1-176.6-173-1641112.2C31C31-R34 CarbonylContact C-O 3.57Å; C31-R34 PolarHBondContact N-O 3.41Å; C31-R34 PolarHBondContact O-N 2.82Å; C31-R34 VanDerWaalsContact O-N 3.12Å
35V91.3Very high94.7Very high78 Ų7848.8 Ų48.847%0.47326%0.261SS..  trans-67.2160.6163.4-63.50000109.9D37V35-D37 PolarHBondContact O-N 3.37Å
36A91.9Very high94.6Very high33 Ų3348.8 Ų48.827%0.27326%0.261SS..  trans-72.3127.6179.600000111.6K38 V40A36-K38 VanDerWaalsContact C-N 3.26Å; A36-K38 WeakPolarHBondContact CB-O 3.39Å; A36-K38 PolarHBondContact O-N 3.22Å; A36-V40 HydrophobicContact CB-CG2 3.59Å
37D89Confident94.5Very high153 Ų15349.2 Ų49.282%0.81826%0.262SS*.SBendtrans-69.9-25.8177.7-61.5-46.4000112.7V35V35-D37 PolarHBondContact O-N 3.37Å
38K90.1Very high94.1Very high119 Ų11950.3 Ų50.352%0.51727%0.265SS..SBendtrans-112.4157.2174.6-66.7-169.8-172.9168.50109.5A36 T90A36-K38 VanDerWaalsContact C-N 3.26Å; A36-K38 WeakPolarHBondContact CB-O 3.39Å; A36-K38 PolarHBondContact O-N 3.22Å; K38-T90 WeakPolarHBondContact CB-OG1 3.43Å; K38-T90 HydrophobicContact CD-CG2 4.39Å; K38-T90 WeakPolarHBondContact CD-OG1 3.47Å
39P90.7Very high93.2Very high42 Ų4254.1 Ų54.127%0.27330%0.297SS..  trans-52.6148.1175.5-25.336.7000111Y60 Y132 C137P39-Y60 HydrophobicContact CB-CD1 3.69Å; P39-Y60 HydrophobicContact CB-CE1 3.86Å; P39-Y132 PolarHBondContact O-OH 3.34Å; P39-C137 WeakPolarHBondContact CB-SG 3.32Å; P39-C137 HydrophobicContact CG-CB 3.88Å; P39-C137 WeakPolarHBondContact CG-SG 3.28Å
40V93.5Very high92.2Very high4 Ų458.2 Ų58.22%0.02434%0.34CS..  trans-115.1120.8170.4174.80000106.8V29 A36 I42 Y60 A61 I87 H89 L120V29-V40 HydrophobicContact CG2-CB 4.31Å; V29-V40 HydrophobicContact CG2-CG1 4.13Å; V29-V40 HydrophobicContact CG2-CG2 4.34Å; A36-V40 HydrophobicContact CB-CG2 3.59Å; V40-I42 HydrophobicContact CG1-CD1 4.43Å; V40-I42 HydrophobicContact CG1-CG1 4.14Å; V40-Y60 CarbonylContact O-C 3.54Å; V40-Y60 VanDerWaalsContact O-CA 3.28Å; V40-Y60 WeakPolarHBondContact O-CA 3.45Å; V40-A61 HydrophobicContact CB-CB 4.06Å; V40-A61 HydrophobicContact CG1-CB 4.44Å; V40-A61 PolarHBondContact O-N 3.19Å; V40-I87 HydrophobicContact CG1-CG2 3.49Å; V40-I87 VanDerWaalsContact CG1-CG2 3.49Å; V40-H89 HydrophobicContact CG1-CB 4.4Å; V40-H89 HydrophobicContact CG2-CB 4.17Å; V40-L120 HydrophobicContact CG1-CD1 3.89Å; V40-L120 HydrophobicContact CG2-CD1 4.16Å
41F93.8Very high91.3Very high18 Ų1856.7 Ų56.78%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-104.7135.3-177.6177.4-125.5000110.4K43 E58 G59 Y60 Y88 V134 P147F41-K43 HydrophobicContact CE1-CD 4.43Å; F41-K43 HydrophobicContact CE1-CG 4.06Å; F41-K43 HydrophobicContact CZ-CG 4.2Å; F41-E58 HydrophobicContact CE2-CB 3.89Å; F41-E58 HydrophobicContact CE2-CG 3.89Å; F41-E58 HydrophobicContact CZ-CB 4.02Å; F41-E58 HydrophobicContact CZ-CG 3.95Å; F41-E58 WeakPolarHBondContact CZ-OE2 3.11Å; F41-G59 WeakPolarHBondContact CD2-O 3.11Å; F41-Y60 HydrophobicContact CB-CD1 4.13Å; F41-Y60 HydrophobicContact CB-CE1 3.95Å; F41-Y60 HydrophobicContact CD2-CD1 4.4Å; F41-Y60 HydrophobicContact CD2-CD2 4.25Å; F41-Y60 HydrophobicContact CD2-CE1 4.19Å; F41-Y60 AromaticContact CD2-CE2 3.99Å; F41-Y60 HydrophobicContact CD2-CE2 3.99Å; F41-Y60 HydrophobicContact CD2-CG 4.45Å; F41-Y60 AromaticContact CD2-CZ 3.92Å; F41-Y60 HydrophobicContact CE2-CE2 4.36Å; F41-Y60 HydrophobicContact CG-CE1 4.39Å; F41-Y88 AromaticContact CD1-CD2 3.78Å; F41-Y88 HydrophobicContact CD1-CD2 3.78Å; F41-Y88 HydrophobicContact CD1-CE2 4.34Å; F41-Y88 HydrophobicContact CD1-CG 4.36Å; F41-Y88 PolarHBondContact N-O 3.15Å; F41-Y88 PolarHBondContact O-N 2.9Å; F41-V134 HydrophobicContact CB-CB 4.32Å; F41-V134 HydrophobicContact CB-CG1 3.46Å; F41-V134 VanDerWaalsContact CB-CG1 3.46Å; F41-V134 HydrophobicContact CB-CG2 3.84Å; F41-V134 HydrophobicContact CD1-CG1 4.22Å; F41-V134 HydrophobicContact CD1-CG2 4.01Å; F41-V134 HydrophobicContact CG-CG1 3.87Å; F41-V134 HydrophobicContact CG-CG2 4.29Å; F41-P147 HydrophobicContact CD2-CG 4.28Å; F41-P147 HydrophobicContact CE2-CG 3.35Å; F41-P147 HydrophobicContact CZ-CG 3.86Å
42I95.2Very high90.8Very high0 Ų060.9 Ų60.90%037%0.372CS..EExtended strand (participates in β ladder)trans-131.5126.9-170.3-51.9176.7000107.8V40 E58 G59 A61 F67 L69 L85 R86 I87V40-I42 HydrophobicContact CG1-CD1 4.43Å; V40-I42 HydrophobicContact CG1-CG1 4.14Å; I42-E58 CarbonylContact O-C 3.54Å; I42-E58 WeakPolarHBondContact O-CA 3.41Å; I42-E58 WeakPolarHBondContact O-CB 3.33Å; I42-G59 PolarHBondContact N-O 2.61Å; I42-G59 PolarHBondContact O-N 3.01Å; I42-A61 HydrophobicContact CD1-CB 4.21Å; I42-F67 HydrophobicContact CD1-CB 3.61Å; I42-F67 HydrophobicContact CD1-CD1 3.54Å; I42-F67 HydrophobicContact CD1-CD2 4.02Å; I42-F67 HydrophobicContact CD1-CE1 4.18Å; I42-F67 HydrophobicContact CD1-CG 3.45Å; I42-F67 VanDerWaalsContact CD1-CG 3.45Å; I42-L69 HydrophobicContact CB-CD1 4.01Å; I42-L69 HydrophobicContact CG2-CD1 3.54Å; I42-L85 HydrophobicContact CG2-CB 4.36Å; I42-L85 HydrophobicContact CG2-CD1 4.34Å; I42-L85 HydrophobicContact CG2-CD2 4Å; I42-L85 HydrophobicContact CG2-CG 4.47Å; I42-R86 WeakPolarHBondContact CA-O 3.34Å; I42-I87 HydrophobicContact CG1-CG1 4.26Å; I42-I87 HydrophobicContact CG1-CG2 4.22Å; I42-I87 HydrophobicContact CG2-CG1 4.11Å
43K95Very high90.6Very high47 Ų4762.1 Ų62.120%0.20437%0.374CS..EExtended strand (participates in β ladder)trans-107.1137.6169-64176.3178.7-78.80109.1F41 L45 E58 L85 R86 Y88F41-K43 HydrophobicContact CE1-CD 4.43Å; F41-K43 HydrophobicContact CE1-CG 4.06Å; F41-K43 HydrophobicContact CZ-CG 4.2Å; K43-L45 HydrophobicContact CB-CD1 3.61Å; K43-L45 HydrophobicContact CB-CG 4.34Å; K43-E58 HydrophobicContact CB-CB 4.41Å; K43-E58 HydrophobicContact CG-CB 3.96Å; K43-E58 IonicContact NZ-OE2 3.57Å; K43-E58 PolarHBondContact NZ-OE2 3.35Å; K43-L85 CarbonylContact O-C 3.5Å; K43-L85 VanDerWaalsContact O-CA 3.3Å; K43-L85 WeakPolarHBondContact O-CA 3.31Å; K43-R86 HydrophobicContact CB-CB 4.38Å; K43-R86 PolarHBondContact N-O 2.73Å; K43-R86 PolarHBondContact O-N 3.08Å; K43-Y88 HydrophobicContact CD-CE2 3.86Å; K43-Y88 HydrophobicContact CG-CE2 4.11Å
44L97.1Very high90.5Very high0 Ų059.7 Ų59.70%035%0.352CS..EExtended strand (participates in β ladder)trans-98.4123.2164.2178.163.3000107.5V25 M56 D57 L69 L85V25-L44 HydrophobicContact CG2-CD1 3.8Å; V25-L44 HydrophobicContact CG2-CD2 4.32Å; L44-M56 HydrophobicContact CB-CB 4.41Å; L44-M56 HydrophobicContact CD1-SD 4.4Å; L44-M56 HydrophobicContact CD2-CB 4.17Å; L44-M56 HydrophobicContact CD2-CE 4.15Å; L44-M56 HydrophobicContact CD2-SD 4.37Å; L44-M56 HydrophobicContact CG-CB 3.96Å; L44-M56 HydrophobicContact CG-CE 4.35Å; L44-M56 HydrophobicContact CG-SD 3.93Å; L44-M56 WeakPolarHBondContact O-CB 3.44Å; L44-M56 PolarHBondContact O-N 2.95Å; L44-D57 HydrophobicContact CB-CB 4.32Å; L44-D57 PolarHBondContact N-O 2.98Å; L44-D57 PolarHBondContact O-N 3.36Å; L44-L69 HydrophobicContact CB-CB 4.2Å; L44-L69 HydrophobicContact CB-CD1 3.98Å; L44-L69 HydrophobicContact CD2-CB 4.28Å; L44-L85 HydrophobicContact CB-CD2 4.17Å; L44-L85 HydrophobicContact CD1-CD2 3.83Å
45L97Very high90.5Very high10 Ų1058.8 Ų58.85%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-129.9159.2-179.9-54.998.8000110.7K43 D53 D54 P83 M84 R86K43-L45 HydrophobicContact CB-CD1 3.61Å; K43-L45 HydrophobicContact CB-CG 4.34Å; L45-D53 HydrophobicContact CB-CB 4.38Å; L45-D53 HydrophobicContact CD2-CB 3.84Å; L45-D54 CarbonylContact C-O 3.54Å; L45-D54 WeakPolarHBondContact CA-O 3.41Å; L45-D54 WeakPolarHBondContact CB-O 3.45Å; L45-P83 CarbonylContact O-C 3.51Å; L45-P83 WeakPolarHBondContact O-CA 3.26Å; L45-M84 HydrophobicContact CB-CE 4.06Å; L45-M84 HydrophobicContact CB-CG 4.14Å; L45-M84 PolarHBondContact N-O 2.83Å; L45-M84 PolarHBondContact O-N 2.74Å; L45-R86 HydrophobicContact CD1-CB 3.99Å; L45-R86 HydrophobicContact CD1-CG 3.76Å
46D97.3Very high90.7Very high0 Ų056 Ų560%033%0.331CS..EExtended strand (participates in β ladder)trans-92.1138.3158.5-156.7-2.1000109.2D53 D54 M56 A73 I81 D82D46-D53 CarbonylContact O-C 3.58Å; D46-D53 VanDerWaalsContact O-CA 3.26Å; D46-D53 WeakPolarHBondContact O-CA 3.24Å; D46-D53 WeakPolarHBondContact O-CB 3.09Å; D46-D54 HydrophobicContact CB-CB 3.88Å; D46-D54 PolarHBondContact N-O 2.84Å; D46-D54 PolarHBondContact O-N 2.9Å; D46-M56 HydrophobicContact CB-SD 4.37Å; D46-A73 HydrophobicContact CB-CB 3.73Å; D46-A73 WeakPolarHBondContact OD2-CB 3.32Å; D46-I81 WeakPolarHBondContact OD1-CB 3.32Å; D46-I81 WeakPolarHBondContact OD2-CB 3.5Å; D46-I81 WeakPolarHBondContact OD2-CG2 3.21Å; D46-D82 WeakPolarHBondContact OD1-CA 3.19Å; D46-D82 PolarHBondContact OD1-N 2.77Å
47E95.5Very high90.8Very high52 Ų5255.1 Ų55.124%0.24332%0.322CS..  trans-95.4112.2177.9-176.5172.1-11200110.5D82 M84 R101E47-D82 HydrophobicContact CB-CB 3.82Å; E47-D82 PolarHBondContact N-O 3.44Å; E47-D82 WeakPolarHBondContact O-CB 3.3Å; E47-M84 HydrophobicContact CB-CE 3.69Å; E47-M84 HydrophobicContact CB-SD 4.29Å; E47-M84 HydrophobicContact CG-CE 4.05Å; E47-R101 VanDerWaalsContact CD-NH2 3.27Å; E47-R101 IonicContact OE1-CZ 3.17Å; E47-R101 IonicContact OE1-NE 3.39Å; E47-R101 IonicContact OE1-NH2 3.42Å; E47-R101 PolarHBondContact OE1-NH2 2.82Å; E47-R101 IonicContact OE2-CZ 3.19Å; E47-R101 VanDerWaalsContact OE2-CZ 3.31Å; E47-R101 IonicContact OE2-NE 3.31Å; E47-R101 PolarHBondContact OE2-NE 3.22Å; E47-R101 IonicContact OE2-NH2 2.66Å; E47-R101 PolarHBondContact OE2-NH2 3Å
48D88.4Confident91Very high34 Ų3448.9 Ų48.918%0.18229%0.288CS..  trans-94.9134.7-176.5-74.8-74.3000113.1G50 D54D48-G50 PolarHBondContact O-N 2.84Å; D48-G50 VanDerWaalsContact O-N 3.12Å; D48-D54 PolarHBondContact OD2-N 2.84Å; D48-D54 VanDerWaalsContact OD2-N 3.13Å
49S79.1Confident91.1Very high127 Ų12743.6 Ų43.689%0.88827%0.267SS*.SBendtrans-77.2100172.4-70.10000111.3
50G75.4Confident91.2Very high91 Ų9142.1 Ų42.194%0.93826%0.256SS*.SBendtrans90.66.5172.900000115.1D48D48-G50 PolarHBondContact O-N 2.84Å; D48-G50 VanDerWaalsContact O-N 3.12Å
51G79.3Confident91.2Very high41 Ų4142.5 Ų42.542%0.42326%0.259SS..SBendtrans-123.3177.8173.300000112.4
52P86.2Confident91.1Very high113 Ų11342.5 Ų42.573%0.73426%0.261SS*.PPolyproline II helixtrans-70136.2165.430.9-31.7000110D54P52-D54 PolarHBondContact O-N 2.91Å
53D91.6Very high90.9Very high44 Ų4451.6 Ų51.624%0.23530%0.301CS..PPolyproline II helixtrans-54.4127.7173.1-55-38.5000112.2L45 D46 M84 R86L45-D53 HydrophobicContact CB-CB 4.38Å; L45-D53 HydrophobicContact CD2-CB 3.84Å; D46-D53 CarbonylContact O-C 3.58Å; D46-D53 VanDerWaalsContact O-CA 3.26Å; D46-D53 WeakPolarHBondContact O-CA 3.24Å; D46-D53 WeakPolarHBondContact O-CB 3.09Å; D53-M84 HydrophobicContact CB-CE 3.92Å; D53-M84 WeakPolarHBondContact OD2-CE 3.22Å; D53-R86 IonicContact OD2-CZ 3.92Å; D53-R86 IonicContact OD2-NH1 3.83Å; D53-R86 PolarHBondContact OD2-NH1 3.37Å; D53-R86 IonicContact OD2-NH2 2.99Å; D53-R86 PolarHBondContact OD2-NH2 3.43Å
54D90.5Very high90.8Very high68 Ų6851.9 Ų51.936%0.36431%0.309SS..PPolyproline II helixtrans-67.1133.9175.3-78.7-24.8000112.5L45 D46 D48 P52 A73L45-D54 CarbonylContact C-O 3.54Å; L45-D54 WeakPolarHBondContact CA-O 3.41Å; L45-D54 WeakPolarHBondContact CB-O 3.45Å; D46-D54 HydrophobicContact CB-CB 3.88Å; D46-D54 PolarHBondContact N-O 2.84Å; D46-D54 PolarHBondContact O-N 2.9Å; D48-D54 PolarHBondContact OD2-N 2.84Å; D48-D54 VanDerWaalsContact OD2-N 3.13Å; P52-D54 PolarHBondContact O-N 2.91Å; D54-A73 HydrophobicContact CB-CB 4.33Å
55W92.4Very high90.7Very high160 Ų16052.1 Ų52.161%0.60631%0.311SS*.EExtended strand (participates in β ladder)trans-86.8117.8174.9178.914.8000110.8D57 E58W55-D57 VanDerWaalsContact NE1-C 3.31Å; W55-D57 PolarHBondContact NE1-O 3.18Å; W55-E58 HydrophobicContact CZ2-CB 4.37Å; W55-E58 HydrophobicContact CZ2-CG 3.52Å; W55-E58 VanDerWaalsContact CZ2-OE1 3.26Å; W55-E58 WeakPolarHBondContact CZ2-OE1 3.25Å; W55-E58 VanDerWaalsContact CZ2-OE2 3.3Å; W55-E58 WeakPolarHBondContact CZ2-OE2 3.2Å
56M95.4Very high90.6Very high20 Ų2057.7 Ų57.710%0.09933%0.333CS..EExtended strand (participates in β ladder)trans-97-49.9-179.5-59.2172.16900113.1L23 L44 D46 G71 A73 I81L23-M56 HydrophobicContact CB-CE 4.33Å; L44-M56 HydrophobicContact CB-CB 4.41Å; L44-M56 HydrophobicContact CD1-SD 4.4Å; L44-M56 HydrophobicContact CD2-CB 4.17Å; L44-M56 HydrophobicContact CD2-CE 4.15Å; L44-M56 HydrophobicContact CD2-SD 4.37Å; L44-M56 HydrophobicContact CG-CB 3.96Å; L44-M56 HydrophobicContact CG-CE 4.35Å; L44-M56 HydrophobicContact CG-SD 3.93Å; L44-M56 WeakPolarHBondContact O-CB 3.44Å; L44-M56 PolarHBondContact O-N 2.95Å; D46-M56 HydrophobicContact CB-SD 4.37Å; M56-G71 VanDerWaalsContact CE-O 3.23Å; M56-G71 WeakPolarHBondContact CE-O 3.48Å; M56-A73 HydrophobicContact CG-CB 3.98Å; M56-A73 HydrophobicContact SD-CB 4.29Å; M56-I81 HydrophobicContact CE-CD1 3.8Å; M56-I81 HydrophobicContact SD-CD1 4.38Å
57D94.9Very high90.5Very high14 Ų1458.1 Ų58.18%0.07533%0.334CS..EExtended strand (participates in β ladder)trans-159.4164.5178.2-161.711.7000111L44 W55 L69 H70 K146L44-D57 HydrophobicContact CB-CB 4.32Å; L44-D57 PolarHBondContact N-O 2.98Å; L44-D57 PolarHBondContact O-N 3.36Å; W55-D57 VanDerWaalsContact NE1-C 3.31Å; W55-D57 PolarHBondContact NE1-O 3.18Å; D57-L69 HydrophobicContact CB-CB 4.29Å; D57-L69 WeakPolarHBondContact OD2-CA 3.32Å; D57-H70 VanDerWaalsContact CB-O 3.32Å; D57-H70 WeakPolarHBondContact CB-O 3.36Å; D57-H70 VanDerWaalsContact CG-O 3.31Å; D57-H70 PolarHBondContact OD2-N 2.79Å; D57-H70 VanDerWaalsContact OD2-O 3.1Å; D57-K146 WeakPolarHBondContact OD1-CE 3.39Å; D57-K146 IonicContact OD1-NZ 2.97Å; D57-K146 PolarHBondContact OD1-NZ 2.87Å; D57-K146 IonicContact OD2-NZ 3.57Å; D57-K146 PolarHBondContact OD2-NZ 2.8Å
58E93.4Very high90.6Very high23 Ų2362.7 Ų62.711%0.10735%0.351CS..EExtended strand (participates in β ladder)trans-151.9158.8169.671.3-174.8-16300112.8F41 I42 K43 W55 L69 P147F41-E58 HydrophobicContact CE2-CB 3.89Å; F41-E58 HydrophobicContact CE2-CG 3.89Å; F41-E58 HydrophobicContact CZ-CB 4.02Å; F41-E58 HydrophobicContact CZ-CG 3.95Å; F41-E58 WeakPolarHBondContact CZ-OE2 3.11Å; I42-E58 CarbonylContact O-C 3.54Å; I42-E58 WeakPolarHBondContact O-CA 3.41Å; I42-E58 WeakPolarHBondContact O-CB 3.33Å; K43-E58 HydrophobicContact CB-CB 4.41Å; K43-E58 HydrophobicContact CG-CB 3.96Å; K43-E58 IonicContact NZ-OE2 3.57Å; K43-E58 PolarHBondContact NZ-OE2 3.35Å; W55-E58 HydrophobicContact CZ2-CB 4.37Å; W55-E58 HydrophobicContact CZ2-CG 3.52Å; W55-E58 VanDerWaalsContact CZ2-OE1 3.26Å; W55-E58 WeakPolarHBondContact CZ2-OE1 3.25Å; W55-E58 VanDerWaalsContact CZ2-OE2 3.3Å; W55-E58 WeakPolarHBondContact CZ2-OE2 3.2Å; E58-L69 VanDerWaalsContact C-CD2 3.45Å; E58-P147 HydrophobicContact CG-CG 3.99Å; E58-P147 WeakPolarHBondContact OE1-CG 3.25Å
59G92.1Very high91Very high7 Ų761.1 Ų61.17%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-176.7169.1-177.300000113.1F41 I42 G145F41-G59 WeakPolarHBondContact CD2-O 3.11Å; I42-G59 PolarHBondContact N-O 2.61Å; I42-G59 PolarHBondContact O-N 3.01Å; G59-G145 WeakPolarHBondContact CA-O 2.84Å
60Y92.3Very high91.8Very high11 Ų1159.1 Ų59.14%0.04332%0.319CS..EExtended strand (participates in β ladder)trans-94.6140.2173.9-66.4-97000111P39 V40 F41 V134 T135 L140 G145 P147P39-Y60 HydrophobicContact CB-CD1 3.69Å; P39-Y60 HydrophobicContact CB-CE1 3.86Å; V40-Y60 CarbonylContact O-C 3.54Å; V40-Y60 VanDerWaalsContact O-CA 3.28Å; V40-Y60 WeakPolarHBondContact O-CA 3.45Å; F41-Y60 HydrophobicContact CB-CD1 4.13Å; F41-Y60 HydrophobicContact CB-CE1 3.95Å; F41-Y60 HydrophobicContact CD2-CD1 4.4Å; F41-Y60 HydrophobicContact CD2-CD2 4.25Å; F41-Y60 HydrophobicContact CD2-CE1 4.19Å; F41-Y60 AromaticContact CD2-CE2 3.99Å; F41-Y60 HydrophobicContact CD2-CE2 3.99Å; F41-Y60 HydrophobicContact CD2-CG 4.45Å; F41-Y60 AromaticContact CD2-CZ 3.92Å; F41-Y60 HydrophobicContact CE2-CE2 4.36Å; F41-Y60 HydrophobicContact CG-CE1 4.39Å; Y60-V134 HydrophobicContact CD1-CG1 4.33Å; Y60-V134 HydrophobicContact CE1-CG1 3.19Å; Y60-V134 VanDerWaalsContact CZ-CG1 3.5Å; Y60-V134 WeakPolarHBondContact OH-CG1 3.36Å; Y60-T135 PolarHBondContact OH-O 2.99Å; Y60-L140 HydrophobicContact CD1-CD1 4.16Å; Y60-L140 HydrophobicContact CD2-CD1 3.2Å; Y60-L140 HydrophobicContact CD2-CD2 4.27Å; Y60-L140 HydrophobicContact CD2-CG 4.36Å; Y60-L140 HydrophobicContact CE1-CD1 4.27Å; Y60-L140 HydrophobicContact CE2-CD1 3.41Å; Y60-L140 VanDerWaalsContact CE2-CD1 3.41Å; Y60-L140 HydrophobicContact CE2-CD2 4.11Å; Y60-L140 HydrophobicContact CE2-CG 4.32Å; Y60-L140 HydrophobicContact CG-CD1 3.62Å; Y60-G145 VanDerWaalsContact CD2-O 3.24Å; Y60-G145 WeakPolarHBondContact CD2-O 3.01Å; Y60-G145 PolarHBondContact N-O 2.85Å; Y60-P147 HydrophobicContact CE2-CG 3.8Å
61A93.6Very high92.8Very high12 Ų1255.1 Ų55.110%0.09928%0.277CS..PPolyproline II helixtrans-62.3148163.100000109.9V29 V40 I42 Y66 F67V29-A61 HydrophobicContact CG2-CB 3.58Å; V40-A61 HydrophobicContact CB-CB 4.06Å; V40-A61 HydrophobicContact CG1-CB 4.44Å; V40-A61 PolarHBondContact O-N 3.19Å; I42-A61 HydrophobicContact CD1-CB 4.21Å; A61-Y66 CarbonylContact C-O 3.54Å; A61-Y66 WeakPolarHBondContact CA-O 3.32Å; A61-F67 HydrophobicContact CB-CB 4.38Å
62S92.2Very high93.6Very high18 Ų1855.2 Ų55.213%0.12627%0.271CS..PPolyproline II helixtrans-69.2171.5-179.679.60000113S64 G65 Y66 S143S62-S64 PolarHBondContact O-N 2.81Å; S62-S64 VanDerWaalsContact O-N 3.13Å; S62-S64 PolarHBondContact OG-N 3.05Å; S62-S64 PolarHBondContact OG-OG 2.92Å; S62-G65 WeakPolarHBondContact O-CA 3.46Å; S62-G65 PolarHBondContact O-N 2.92Å; S62-G65 PolarHBondContact OG-N 2.82Å; S62-Y66 WeakPolarHBondContact CB-O 3.32Å; S62-Y66 PolarHBondContact N-O 3Å; S62-Y66 PolarHBondContact OG-N 2.91Å; S62-S143 WeakPolarHBondContact CA-O 3.46Å; S62-S143 WeakPolarHBondContact CB-O 3.25Å
63K90.1Very high94Very high191 Ų19150.2 Ų50.283%0.8324%0.239SC*.THydrogen-bonded Turntrans-57.2-25.7172.1-67.4-174.7178.9179.30112.9
64S92.9Very high94.1Very high53 Ų5350 Ų5037%0.37124%0.241SC..THydrogen-bonded Turntrans-96.98.6173.865.30000113.2Q28 S62 Y66Q28-S64 PolarHBondContact NE2-O 2.76Å; S62-S64 PolarHBondContact O-N 2.81Å; S62-S64 VanDerWaalsContact O-N 3.13Å; S62-S64 PolarHBondContact OG-N 3.05Å; S62-S64 PolarHBondContact OG-OG 2.92Å; S64-Y66 WeakPolarHBondContact OG-CD2 3.39Å; S64-Y66 WeakPolarHBondContact OG-CE2 3.42Å
65G94.8Very high94.1Very high5 Ų547.3 Ų47.35%0.05223%0.227CC..SBendtrans85.30.917600000115.8Q28 V29 S62Q28-G65 CarbonylContact C-O 3.15Å; Q28-G65 VanDerWaalsContact CA-O 3.25Å; Q28-G65 WeakPolarHBondContact CA-O 3.42Å; V29-G65 WeakPolarHBondContact CG2-O 3.34Å; V29-G65 PolarHBondContact N-O 2.75Å; V29-G65 WeakPolarHBondContact O-CA 3.43Å; S62-G65 WeakPolarHBondContact O-CA 3.46Å; S62-G65 PolarHBondContact O-N 2.92Å; S62-G65 PolarHBondContact OG-N 2.82Å
66Y96Very high93.9Very high128 Ų12843.2 Ų43.250%0.50222%0.221SC..EExtended strand (participates in β ladder)trans-76.4140-179.3-67.5-66.7000111.7G27 Q28 A61 S62 S64G27-Y66 WeakPolarHBondContact O-CA 3.43Å; Q28-Y66 HydrophobicContact CB-CD1 3.78Å; Q28-Y66 HydrophobicContact CB-CE1 3.84Å; Q28-Y66 VanDerWaalsContact CD-CE1 3.49Å; Q28-Y66 HydrophobicContact CG-CD1 3.82Å; Q28-Y66 HydrophobicContact CG-CE1 3.79Å; Q28-Y66 HydrophobicContact CG-CG 4.38Å; A61-Y66 CarbonylContact C-O 3.54Å; A61-Y66 WeakPolarHBondContact CA-O 3.32Å; S62-Y66 WeakPolarHBondContact CB-O 3.32Å; S62-Y66 PolarHBondContact N-O 3Å; S62-Y66 PolarHBondContact OG-N 2.91Å; S64-Y66 WeakPolarHBondContact OG-CD2 3.39Å; S64-Y66 WeakPolarHBondContact OG-CE2 3.42Å
67F95.2Very high93.3Very high8 Ų850.1 Ų50.14%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-132.9154.6172.366.4-91.2000110.8V25 L26 G27 V29 I42 A61 L85 F114 I118V25-F67 HydrophobicContact CG1-CE2 4.21Å; L26-F67 WeakPolarHBondContact CA-O 3.49Å; G27-F67 PolarHBondContact N-O 2.97Å; G27-F67 WeakPolarHBondContact O-CD1 3.47Å; G27-F67 PolarHBondContact O-N 2.85Å; V29-F67 HydrophobicContact CG1-CD1 4.24Å; V29-F67 HydrophobicContact CG1-CE1 4.04Å; I42-F67 HydrophobicContact CD1-CB 3.61Å; I42-F67 HydrophobicContact CD1-CD1 3.54Å; I42-F67 HydrophobicContact CD1-CD2 4.02Å; I42-F67 HydrophobicContact CD1-CE1 4.18Å; I42-F67 HydrophobicContact CD1-CG 3.45Å; I42-F67 VanDerWaalsContact CD1-CG 3.45Å; A61-F67 HydrophobicContact CB-CB 4.38Å; F67-L85 HydrophobicContact CE2-CD1 3.73Å; F67-L85 HydrophobicContact CZ-CD1 3.84Å; F67-F114 HydrophobicContact CE2-CE2 4.42Å; F67-F114 AromaticContact CZ-CD2 3.87Å; F67-F114 HydrophobicContact CZ-CD2 3.87Å; F67-F114 AromaticContact CZ-CE2 3.91Å; F67-F114 HydrophobicContact CZ-CE2 3.91Å; F67-I118 HydrophobicContact CE1-CD1 4.16Å; F67-I118 HydrophobicContact CZ-CD1 4.19Å
68Y96.1Very high92.7Very high148 Ų14851.2 Ų51.258%0.5827%0.265SS*.EExtended strand (participates in β ladder)trans-147118.9177.9179.9-79.6000107.3T24 L26 H70T24-Y68 HydrophobicContact CG2-CD2 4.19Å; T24-Y68 HydrophobicContact CG2-CE1 4.08Å; T24-Y68 HydrophobicContact CG2-CE2 3.46Å; T24-Y68 VanDerWaalsContact CG2-CE2 3.46Å; T24-Y68 WeakPolarHBondContact CG2-OH 3.42Å; L26-Y68 HydrophobicContact CB-CD2 4.1Å; Y68-H70 HydrophobicContact CE1-CB 4.31Å
69L96.6Very high92.6Very high2 Ų255.5 Ų55.51%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-128.6143.4179-62.9179.2000109.3T24 V25 I42 L44 D57 E58 L85T24-L69 CarbonylContact C-O 3.58Å; T24-L69 WeakPolarHBondContact CA-O 3.45Å; V25-L69 PolarHBondContact N-O 2.87Å; V25-L69 PolarHBondContact O-N 2.7Å; I42-L69 HydrophobicContact CB-CD1 4.01Å; I42-L69 HydrophobicContact CG2-CD1 3.54Å; L44-L69 HydrophobicContact CB-CB 4.2Å; L44-L69 HydrophobicContact CB-CD1 3.98Å; L44-L69 HydrophobicContact CD2-CB 4.28Å; D57-L69 HydrophobicContact CB-CB 4.29Å; D57-L69 WeakPolarHBondContact OD2-CA 3.32Å; E58-L69 VanDerWaalsContact C-CD2 3.45Å; L69-L85 HydrophobicContact CD1-CD2 4.15Å
70H96.7Very high92.7Very high84 Ų8458.1 Ų58.139%0.38930%0.301SS..EExtended strand (participates in β ladder)trans-144.1126.7177.517586.6000110L23 T24 D57 Y68L23-H70 WeakPolarHBondContact O-CA 3.46Å; T24-H70 PolarHBondContact OG1-ND1 2.03Å; D57-H70 VanDerWaalsContact CB-O 3.32Å; D57-H70 WeakPolarHBondContact CB-O 3.36Å; D57-H70 VanDerWaalsContact CG-O 3.31Å; D57-H70 PolarHBondContact OD2-N 2.79Å; D57-H70 VanDerWaalsContact OD2-O 3.1Å; Y68-H70 HydrophobicContact CE1-CB 4.31Å
71G96Very high92.9Very high7 Ų757.6 Ų57.67%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-159.9178.8173.700000112.2C22 L23 M56C22-G71 WeakPolarHBondContact CA-O 2.95Å; L23-G71 PolarHBondContact N-O 2.69Å; L23-G71 PolarHBondContact O-N 3.47Å; M56-G71 VanDerWaalsContact CE-O 3.23Å; M56-G71 WeakPolarHBondContact CE-O 3.48Å
72C96Very high93Very high43 Ų4359.2 Ų59.229%0.29131%0.306SS..EExtended strand (participates in β ladder)trans-133.4149.6-177.9-47.40000110.4Q20 Q21 C22Q20-C72 HydrophobicContact CG-CB 3.7Å; Q21-C72 CarbonylContact O-C 3.54Å; Q21-C72 WeakPolarHBondContact O-CA 3.49Å; Q21-C72 WeakPolarHBondContact O-CB 2.91Å; C22-C72 HydrophobicContact CB-CB 4.01Å; C22-C72 WeakPolarHBondContact CB-SG 3.48Å; C22-C72 WeakPolarHBondContact SG-CB 3.32Å; C22-C72 CovalentContact SG-SG 2.04Å; C22-C72 PolarHBondContact SG-SG 2.86Å
73A95.3Very high93.3Very high8 Ų858.4 Ų58.47%0.06630%0.3CS..EExtended strand (participates in β ladder)trans-143.9175.9172.400000109.1Q21 D46 D54 M56 I81Q21-A73 PolarHBondContact N-O 3.12Å; Q21-A73 PolarHBondContact O-N 3.24Å; D46-A73 HydrophobicContact CB-CB 3.73Å; D46-A73 WeakPolarHBondContact OD2-CB 3.32Å; D54-A73 HydrophobicContact CB-CB 4.33Å; M56-A73 HydrophobicContact CG-CB 3.98Å; M56-A73 HydrophobicContact SD-CB 4.29Å; A73-I81 HydrophobicContact CB-CG2 4.1Å
74S92.7Very high93.7Very high40 Ų4049.3 Ų49.328%0.2826%0.261SS..  trans-146.9122.8177.7-46.70000110.8Q20Q20-S74 VanDerWaalsContact CA-OG 3.23Å; Q20-S74 WeakPolarHBondContact CA-OG 3.39Å
75D91.3Very high93.9Very high12 Ų1246.8 Ų46.86%0.06424%0.243CC..  trans-87150.3171.8-88.8-34.5000112.9A18 M79 I81A18-D75 WeakPolarHBondContact CB-O 3.07Å; D75-M79 HydrophobicContact CB-CB 3.85Å; D75-I81 WeakPolarHBondContact OD2-CA 3.46Å
76P87.8Confident94Very high73 Ų7348.9 Ų48.947%0.47425%0.25SC..G310 helixtrans-53.6152.5171-25.834.8000113.5G78 M79P76-G78 PolarHBondContact O-N 2.97Å; P76-G78 VanDerWaalsContact O-N 3.09Å; P76-M79 WeakPolarHBondContact O-CG 3.47Å; P76-M79 PolarHBondContact O-N 3.32Å
77F83.3Confident94Very high166 Ų16642.8 Ų42.873%0.72823%0.226SC*.G310 helixtrans58.620176.9-49.4-74.4000115.1M79F77-M79 VanDerWaalsContact C-N 3.26Å; F77-M79 HydrophobicContact CB-CE 4.42Å; F77-M79 HydrophobicContact CD2-CE 4.32Å; F77-M79 PolarHBondContact O-N 2.98Å
78G81.8Confident94.1Very high37 Ų3743.4 Ų43.438%0.38123%0.228SC..G310 helixtrans69.722.6-179.500000113.5P76P76-G78 PolarHBondContact O-N 2.97Å; P76-G78 VanDerWaalsContact O-N 3.09Å
79M91.1Very high94Very high113 Ų11336.4 Ų36.456%0.55720%0.2SC*.PPolyproline II helixtrans-63.9156.7173.8-64.5-172.7-169.100110.8Q21 D75 P76 F77Q21-M79 PolarHBondContact NE2-O 2.89Å; D75-M79 HydrophobicContact CB-CB 3.85Å; P76-M79 WeakPolarHBondContact O-CG 3.47Å; P76-M79 PolarHBondContact O-N 3.32Å; F77-M79 VanDerWaalsContact C-N 3.26Å; F77-M79 HydrophobicContact CB-CE 4.42Å; F77-M79 HydrophobicContact CD2-CE 4.32Å; F77-M79 PolarHBondContact O-N 2.98Å
80T95Very high93.9Very high62 Ų6237.4 Ų37.438%0.3821%0.207SC..PPolyproline II helixtrans-74.8135.3172.5-54.30000109.1Q21 K104 V107Q21-T80 VanDerWaalsContact OE1-CA 3.23Å; T80-K104 HydrophobicContact CG2-CB 4.08Å; T80-K104 WeakPolarHBondContact O-CE 3.38Å; T80-K104 PolarHBondContact O-NZ 3.16Å; T80-V107 HydrophobicContact CG2-CB 3.88Å; T80-V107 HydrophobicContact CG2-CG1 4.12Å; T80-V107 HydrophobicContact CG2-CG2 4Å
81I96.2Very high93.9Very high0 Ų034.8 Ų34.80%020%0.198CC..PPolyproline II helixtrans-57.9153.4174.461.3163.4000111.7Q21 D46 M56 A73 D75 P83 K104 V107Q21-I81 HydrophobicContact CB-CD1 4.13Å; Q21-I81 HydrophobicContact CB-CG1 4.07Å; Q21-I81 HydrophobicContact CB-CG2 4.09Å; D46-I81 WeakPolarHBondContact OD1-CB 3.32Å; D46-I81 WeakPolarHBondContact OD2-CB 3.5Å; D46-I81 WeakPolarHBondContact OD2-CG2 3.21Å; M56-I81 HydrophobicContact CE-CD1 3.8Å; M56-I81 HydrophobicContact SD-CD1 4.38Å; A73-I81 HydrophobicContact CB-CG2 4.1Å; D75-I81 WeakPolarHBondContact OD2-CA 3.46Å; I81-P83 WeakPolarHBondContact O-CD 3.38Å; I81-K104 VanDerWaalsContact C-CE 3.43Å; I81-K104 WeakPolarHBondContact O-CE 3.42Å; I81-V107 HydrophobicContact CD1-CG1 4.15Å; I81-V107 HydrophobicContact CD1-CG2 4.23Å; I81-V107 HydrophobicContact CG1-CB 4.41Å; I81-V107 HydrophobicContact CG1-CG1 3.76Å; I81-V107 HydrophobicContact CG1-CG2 3.73Å
82D96.7Very high93.8Very high46 Ų4637 Ų3725%0.24621%0.205CC..  trans-103.868.6176.4-77.4-62.3000111.9D46 E47 M84 K104D46-D82 WeakPolarHBondContact OD1-CA 3.19Å; D46-D82 PolarHBondContact OD1-N 2.77Å; E47-D82 HydrophobicContact CB-CB 3.82Å; E47-D82 PolarHBondContact N-O 3.44Å; E47-D82 WeakPolarHBondContact O-CB 3.3Å; D82-M84 PolarHBondContact O-N 2.77Å; D82-K104 WeakPolarHBondContact OD1-CD 3.18Å; D82-K104 WeakPolarHBondContact OD1-CE 3.48Å; D82-K104 IonicContact OD1-NZ 2.79Å; D82-K104 PolarHBondContact OD1-NZ 3.08Å; D82-K104 WeakPolarHBondContact OD2-CE 3.31Å; D82-K104 IonicContact OD2-NZ 3.55Å; D82-K104 PolarHBondContact OD2-NZ 2.65Å
83P98Very high93.7Very high0 Ų038.2 Ų38.20%023%0.225CC..EExtended strand (participates in β ladder)trans-65.6137.5-172.726-34.7000112.3L23 L45 I81 I102 V107L23-P83 HydrophobicContact CD2-CB 3.56Å; L23-P83 HydrophobicContact CD2-CG 3.69Å; L45-P83 CarbonylContact O-C 3.51Å; L45-P83 WeakPolarHBondContact O-CA 3.26Å; I81-P83 WeakPolarHBondContact O-CD 3.38Å; P83-I102 HydrophobicContact CB-CB 4.1Å; P83-I102 HydrophobicContact CG-CB 3.93Å; P83-I102 HydrophobicContact CG-CG2 4.32Å; P83-I102 WeakPolarHBondContact O-CA 3.32Å; P83-I102 WeakPolarHBondContact O-CB 3.38Å; P83-I102 PolarHBondContact O-N 2.61Å; P83-V107 HydrophobicContact CG-CG2 3.79Å
84M97.9Very high93.6Very high0 Ų041.6 Ų41.60%025%0.245CC..EExtended strand (participates in β ladder)trans-141.1154.317361.5168159.600112.5L45 E47 D53 D82 T99 I100 R101L45-M84 HydrophobicContact CB-CE 4.06Å; L45-M84 HydrophobicContact CB-CG 4.14Å; L45-M84 PolarHBondContact N-O 2.83Å; L45-M84 PolarHBondContact O-N 2.74Å; E47-M84 HydrophobicContact CB-CE 3.69Å; E47-M84 HydrophobicContact CB-SD 4.29Å; E47-M84 HydrophobicContact CG-CE 4.05Å; D53-M84 HydrophobicContact CB-CE 3.92Å; D53-M84 WeakPolarHBondContact OD2-CE 3.22Å; D82-M84 PolarHBondContact O-N 2.77Å; M84-T99 HydrophobicContact SD-CG2 3.83Å; M84-I100 CarbonylContact C-O 3.52Å; M84-I100 VanDerWaalsContact CA-O 3.31Å; M84-I100 WeakPolarHBondContact CA-O 3.42Å; M84-R101 HydrophobicContact CB-CG 4.41Å
85L98Very high93.7Very high0 Ų040.3 Ų40.30%024%0.237CC..EExtended strand (participates in β ladder)trans-99.6133.5166.1-62.2-175.9000110.6V25 I42 K43 L44 F67 L69 I87 T99 I100 I102 F114V25-L85 HydrophobicContact CB-CD2 4.45Å; V25-L85 HydrophobicContact CG1-CD1 3.96Å; V25-L85 HydrophobicContact CG1-CD2 4.24Å; V25-L85 HydrophobicContact CG1-CG 4.34Å; I42-L85 HydrophobicContact CG2-CB 4.36Å; I42-L85 HydrophobicContact CG2-CD1 4.34Å; I42-L85 HydrophobicContact CG2-CD2 4Å; I42-L85 HydrophobicContact CG2-CG 4.47Å; K43-L85 CarbonylContact O-C 3.5Å; K43-L85 VanDerWaalsContact O-CA 3.3Å; K43-L85 WeakPolarHBondContact O-CA 3.31Å; L44-L85 HydrophobicContact CB-CD2 4.17Å; L44-L85 HydrophobicContact CD1-CD2 3.83Å; F67-L85 HydrophobicContact CE2-CD1 3.73Å; F67-L85 HydrophobicContact CZ-CD1 3.84Å; L69-L85 HydrophobicContact CD1-CD2 4.15Å; L85-I87 HydrophobicContact CB-CG1 4.26Å; L85-T99 CarbonylContact O-C 3.56Å; L85-T99 WeakPolarHBondContact O-CA 3.38Å; L85-I100 HydrophobicContact CB-CB 4.46Å; L85-I100 PolarHBondContact N-O 2.79Å; L85-I100 PolarHBondContact O-N 3.31Å; L85-I102 HydrophobicContact CD1-CD1 4.47Å; L85-I102 HydrophobicContact CG-CD1 4.21Å; L85-F114 HydrophobicContact CD1-CE2 3.68Å; L85-F114 HydrophobicContact CD1-CZ 3.95Å
86R96.5Very high93.9Very high49 Ų4941.6 Ų41.619%0.18524%0.242CC..EExtended strand (participates in β ladder)trans-105113.4160.1-73.6177.9171.6160.83.7109.1I42 K43 L45 D53 Y88 R97 R98I42-R86 WeakPolarHBondContact CA-O 3.34Å; K43-R86 HydrophobicContact CB-CB 4.38Å; K43-R86 PolarHBondContact N-O 2.73Å; K43-R86 PolarHBondContact O-N 3.08Å; L45-R86 HydrophobicContact CD1-CB 3.99Å; L45-R86 HydrophobicContact CD1-CG 3.76Å; D53-R86 IonicContact OD2-CZ 3.92Å; D53-R86 IonicContact OD2-NH1 3.83Å; D53-R86 PolarHBondContact OD2-NH1 3.37Å; D53-R86 IonicContact OD2-NH2 2.99Å; D53-R86 PolarHBondContact OD2-NH2 3.43Å; R86-Y88 HydrophobicContact CB-CE2 3.76Å; R86-R97 HydrophobicContact CB-CG 4.35Å; R86-R97 HydrophobicContact CG-CG 4.49Å; R86-R98 WeakPolarHBondContact CA-O 3.37Å
87I96.8Very high94.3Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-106.3114.1-178-55.4173.8000109V29 V40 I42 L85 R97 R98 I100 I118 L120V29-I87 HydrophobicContact CG1-CD1 4.4Å; V40-I87 HydrophobicContact CG1-CG2 3.49Å; V40-I87 VanDerWaalsContact CG1-CG2 3.49Å; I42-I87 HydrophobicContact CG1-CG1 4.26Å; I42-I87 HydrophobicContact CG1-CG2 4.22Å; I42-I87 HydrophobicContact CG2-CG1 4.11Å; L85-I87 HydrophobicContact CB-CG1 4.26Å; I87-R97 CarbonylContact O-C 3.54Å; I87-R97 WeakPolarHBondContact O-CA 3.38Å; I87-R98 HydrophobicContact CB-CB 4.32Å; I87-R98 PolarHBondContact N-O 2.7Å; I87-R98 PolarHBondContact O-N 2.86Å; I87-I100 HydrophobicContact CD1-CD1 3.73Å; I87-I100 HydrophobicContact CD1-CG1 4.48Å; I87-I118 HydrophobicContact CD1-CD1 4.16Å; I87-L120 HydrophobicContact CB-CD2 4.44Å; I87-L120 HydrophobicContact CD1-CD2 4.37Å; I87-L120 HydrophobicContact CG2-CD1 3.77Å; I87-L120 HydrophobicContact CG2-CD2 3.83Å; I87-L120 HydrophobicContact CG2-CG 4.47Å
88Y95.7Very high95Very high22 Ų2232.4 Ų32.49%0.08619%0.193CC..EExtended strand (participates in β ladder)trans-97126.1177.3-56.8-95000109.2F41 K43 R86 Y96 R97 H130 Y132F41-Y88 AromaticContact CD1-CD2 3.78Å; F41-Y88 HydrophobicContact CD1-CD2 3.78Å; F41-Y88 HydrophobicContact CD1-CE2 4.34Å; F41-Y88 HydrophobicContact CD1-CG 4.36Å; F41-Y88 PolarHBondContact N-O 3.15Å; F41-Y88 PolarHBondContact O-N 2.9Å; K43-Y88 HydrophobicContact CD-CE2 3.86Å; K43-Y88 HydrophobicContact CG-CE2 4.11Å; R86-Y88 HydrophobicContact CB-CE2 3.76Å; Y88-Y96 WeakPolarHBondContact CA-O 3.25Å; Y88-R97 HydrophobicContact CD1-CB 4.06Å; Y88-R97 HydrophobicContact CD1-CG 4.19Å; Y88-R97 HydrophobicContact CE1-CB 4.04Å; Y88-R97 HydrophobicContact CE1-CG 3.83Å; Y88-H130 AromaticContact CD1-CD2 3.57Å; Y88-H130 AromaticContact CD1-NE2 3.98Å; Y88-H130 AromaticContact CE1-CD2 3.58Å; Y88-H130 AromaticContact CE1-NE2 3.54Å; Y88-Y132 VanDerWaalsContact C-CE2 3.47Å; Y88-Y132 WeakPolarHBondContact O-CE2 3.15Å
89H95.2Very high95.7Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-153.5176.7-176.667.4101.4000112.5V40 C91 G95 Y96 L120 D127V40-H89 HydrophobicContact CG1-CB 4.4Å; V40-H89 HydrophobicContact CG2-CB 4.17Å; H89-C91 PolarHBondContact ND1-N 2.79Å; H89-G95 WeakPolarHBondContact O-CA 3.5Å; H89-Y96 PolarHBondContact N-O 3.15Å; H89-Y96 WeakPolarHBondContact NE2-CB 3.28Å; H89-Y96 PolarHBondContact O-N 3.23Å; H89-L120 HydrophobicContact CB-CD1 3.87Å; H89-L120 PolarHBondContact CE1-O 2.66Å; H89-D127 IonicContact NE2-OD1 2.7Å
90T94.8Very high96.1Very high23 Ų2327.7 Ų27.714%0.14116%0.161CC..  trans-131.720.3177.853.70000113.8K38 K92 G93 V94 Y132K38-T90 WeakPolarHBondContact CB-OG1 3.43Å; K38-T90 HydrophobicContact CD-CG2 4.39Å; K38-T90 WeakPolarHBondContact CD-OG1 3.47Å; T90-K92 PolarHBondContact O-N 2.84Å; T90-G93 PolarHBondContact O-N 2.91Å; T90-V94 WeakPolarHBondContact CA-O 3.32Å; T90-Y132 HydrophobicContact CG2-CD1 3.82Å; T90-Y132 HydrophobicContact CG2-CD2 4Å; T90-Y132 HydrophobicContact CG2-CE1 4.32Å; T90-Y132 HydrophobicContact CG2-CG 3.65Å
91C95.6Very high96.2Very high29 Ų2931.9 Ų31.920%0.19617%0.17CC..THydrogen-bonded Turntrans-57.3-19.3-176.7-62.20000115C31 H89 L120C31-C91 HydrophobicContact CB-CB 3.61Å; C31-C91 WeakPolarHBondContact CB-SG 3.08Å; C31-C91 WeakPolarHBondContact SG-CB 3.15Å; C31-C91 CovalentContact SG-SG 2.03Å; C31-C91 PolarHBondContact SG-SG 2.92Å; H89-C91 PolarHBondContact ND1-N 2.79Å; C91-L120 HydrophobicContact CB-CB 4.21Å; C91-L120 WeakPolarHBondContact SG-CB 3.28Å
92K94.3Very high96.3Very high54 Ų5432.1 Ų32.124%0.23517%0.171CC..THydrogen-bonded Turntrans-102.721.5179.5-59.7-178.8178-175.20112.7T90 V94 Y96 S121 S122 D123 D127T90-K92 PolarHBondContact O-N 2.84Å; K92-V94 VanDerWaalsContact C-N 3.25Å; K92-V94 PolarHBondContact O-N 2.83Å; K92-Y96 HydrophobicContact CB-CD2 3.98Å; K92-Y96 HydrophobicContact CB-CE2 3.66Å; K92-Y96 HydrophobicContact CD-CD2 4.26Å; K92-Y96 HydrophobicContact CD-CE2 4.04Å; K92-Y96 HydrophobicContact CG-CE2 4.4Å; K92-S121 VanDerWaalsContact CE-O 3.31Å; K92-S121 WeakPolarHBondContact CE-O 3.25Å; K92-S122 VanDerWaalsContact CE-O 3.22Å; K92-S122 WeakPolarHBondContact CE-O 2.95Å; K92-S122 PolarHBondContact NZ-O 2.68Å; K92-D123 IonicContact NZ-OD1 3.37Å; K92-D123 PolarHBondContact NZ-OD1 2.99Å; K92-D123 VanDerWaalsContact NZ-OD1 3.15Å; K92-D127 WeakPolarHBondContact CE-OD2 3.3Å; K92-D127 IonicContact NZ-OD2 2.73Å; K92-D127 PolarHBondContact NZ-OD2 3.26Å
93G92.7Very high96.3Very high68 Ų6833 Ų3370%0.70118%0.18SC*.SBendtrans84.7-27.2179.500000115.1T90T90-G93 PolarHBondContact O-N 2.91Å
94V93.3Very high96.2Very high80 Ų8036.6 Ų36.649%0.48520%0.195SC..SBendtrans-123.3173173.5-58.50000111.3T90 K92 Y96T90-V94 WeakPolarHBondContact CA-O 3.32Å; K92-V94 VanDerWaalsContact C-N 3.25Å; K92-V94 PolarHBondContact O-N 2.83Å; V94-Y96 HydrophobicContact CG2-CD2 4.06Å; V94-Y96 HydrophobicContact CG2-CE2 3.41Å; V94-Y96 VanDerWaalsContact CG2-CE2 3.41Å; V94-Y96 WeakPolarHBondContact O-CD2 3.46Å
95G94.8Very high96.2Very high12 Ų1240.9 Ų40.912%0.12423%0.23CC..  trans-70.3132179.600000113.5H89 H130H89-G95 WeakPolarHBondContact O-CA 3.5Å; G95-H130 CarbonylContact C-O 3.52Å; G95-H130 VanDerWaalsContact CA-O 3.25Å; G95-H130 WeakPolarHBondContact CA-O 3.34Å; G95-H130 PolarHBondContact O-N 2.83Å
96Y96.5Very high96.1Very high40 Ų4042.2 Ų42.216%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-132.6153.8174.4-79.4-91.4000111.1Y88 H89 K92 V94 D127 E128 K129Y88-Y96 WeakPolarHBondContact CA-O 3.25Å; H89-Y96 PolarHBondContact N-O 3.15Å; H89-Y96 WeakPolarHBondContact NE2-CB 3.28Å; H89-Y96 PolarHBondContact O-N 3.23Å; K92-Y96 HydrophobicContact CB-CD2 3.98Å; K92-Y96 HydrophobicContact CB-CE2 3.66Å; K92-Y96 HydrophobicContact CD-CD2 4.26Å; K92-Y96 HydrophobicContact CD-CE2 4.04Å; K92-Y96 HydrophobicContact CG-CE2 4.4Å; V94-Y96 HydrophobicContact CG2-CD2 4.06Å; V94-Y96 HydrophobicContact CG2-CE2 3.41Å; V94-Y96 VanDerWaalsContact CG2-CE2 3.41Å; V94-Y96 WeakPolarHBondContact O-CD2 3.46Å; Y96-D127 HydrophobicContact CD1-CB 3.93Å; Y96-D127 HydrophobicContact CE1-CB 4.42Å; Y96-E128 CarbonylContact C-O 3.53Å; Y96-E128 VanDerWaalsContact CA-O 3.28Å; Y96-E128 WeakPolarHBondContact CA-O 3.34Å; Y96-E128 WeakPolarHBondContact CD1-O 3.09Å; Y96-K129 HydrophobicContact CD1-CG 4.35Å; Y96-K129 HydrophobicContact CE1-CB 4.5Å; Y96-K129 HydrophobicContact CE1-CG 3.66Å; Y96-K129 HydrophobicContact CE2-CG 4.43Å; Y96-K129 WeakPolarHBondContact OH-CE 3.06Å
97R96.4Very high96.1Very high40 Ų4040.4 Ų40.415%0.15123%0.233CC..EExtended strand (participates in β ladder)trans-118.9117.2166.4177.6-171.471.3164.42.9108R86 I87 Y88 E128 H130R86-R97 HydrophobicContact CB-CG 4.35Å; R86-R97 HydrophobicContact CG-CG 4.49Å; I87-R97 CarbonylContact O-C 3.54Å; I87-R97 WeakPolarHBondContact O-CA 3.38Å; Y88-R97 HydrophobicContact CD1-CB 4.06Å; Y88-R97 HydrophobicContact CD1-CG 4.19Å; Y88-R97 HydrophobicContact CE1-CB 4.04Å; Y88-R97 HydrophobicContact CE1-CG 3.83Å; R97-E128 IonicContact CZ-OE2 2.63Å; R97-E128 PolarHBondContact N-O 2.92Å; R97-E128 IonicContact NE-OE2 3.15Å; R97-E128 VanDerWaalsContact NH2-CD 3.34Å; R97-E128 IonicContact NH2-OE1 2.83Å; R97-E128 PolarHBondContact NH2-OE1 3.42Å; R97-E128 IonicContact NH2-OE2 2.63Å; R97-E128 PolarHBondContact NH2-OE2 3.2Å; R97-E128 PolarHBondContact O-N 2.83Å; R97-H130 HydrophobicContact CB-CB 3.84Å
98R97.6Very high96.1Very high5 Ų550.2 Ų50.22%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-94.2132.5168.6-169.1166.3-69.1-175.2-0.6110.3R86 I87 I100 D119 L120 S122 T126 D127R86-R98 WeakPolarHBondContact CA-O 3.37Å; I87-R98 HydrophobicContact CB-CB 4.32Å; I87-R98 PolarHBondContact N-O 2.7Å; I87-R98 PolarHBondContact O-N 2.86Å; R98-I100 HydrophobicContact CG-CG1 4.08Å; R98-D119 PolarHBondContact NH1-O 2.9Å; R98-L120 HydrophobicContact CB-CD2 4.48Å; R98-S122 PolarHBondContact NH2-O 3.21Å; R98-T126 WeakPolarHBondContact CG-OG1 3.41Å; R98-D127 WeakPolarHBondContact CB-OD1 3.34Å; R98-D127 WeakPolarHBondContact CG-OD1 3.23Å; R98-D127 IonicContact CZ-OD1 2.69Å; R98-D127 IonicContact CZ-OD2 2.7Å; R98-D127 IonicContact NE-OD1 3.49Å; R98-D127 PolarHBondContact NE-OD1 3.01Å; R98-D127 IonicContact NE-OD2 3.61Å; R98-D127 IonicContact NH2-OD1 2.74Å; R98-D127 PolarHBondContact NH2-OD1 2.91Å; R98-D127 IonicContact NH2-OD2 3.65Å; R98-D127 PolarHBondContact NH2-OD2 2.04Å
99T97.5Very high96.1Very high17 Ų1753 Ų5310%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-107.9118.5175.1-580000110.4M84 L85 T126M84-T99 HydrophobicContact SD-CG2 3.83Å; L85-T99 CarbonylContact O-C 3.56Å; L85-T99 WeakPolarHBondContact O-CA 3.38Å; T99-T126 PolarHBondContact N-O 2.94Å; T99-T126 WeakPolarHBondContact O-CB 3.2Å; T99-T126 WeakPolarHBondContact O-CG2 3.45Å; T99-T126 PolarHBondContact O-OG1 2.63Å
100I98.1Very high96.2Very high34 Ų3454 Ų5417%0.17431%0.309CS..EExtended strand (participates in β ladder)trans-117.7112178.5-55.5179.8000108.8M84 L85 I87 R98 I102 F114 I118M84-I100 CarbonylContact C-O 3.52Å; M84-I100 VanDerWaalsContact CA-O 3.31Å; M84-I100 WeakPolarHBondContact CA-O 3.42Å; L85-I100 HydrophobicContact CB-CB 4.46Å; L85-I100 PolarHBondContact N-O 2.79Å; L85-I100 PolarHBondContact O-N 3.31Å; I87-I100 HydrophobicContact CD1-CD1 3.73Å; I87-I100 HydrophobicContact CD1-CG1 4.48Å; R98-I100 HydrophobicContact CG-CG1 4.08Å; I100-I102 HydrophobicContact CG2-CD1 4.41Å; I100-F114 HydrophobicContact CG2-CE1 4.01Å; I100-F114 HydrophobicContact CG2-CZ 3.95Å; I100-I118 HydrophobicContact CD1-CD1 3.86Å; I100-I118 HydrophobicContact CD1-CG1 4.41Å; I100-I118 HydrophobicContact CD1-CG2 4.02Å
101R97.9Very high96.4Very high151 Ų15157.9 Ų57.957%0.5733%0.328SS*.EExtended strand (participates in β ladder)trans-73.4133.6172.1-69.1-175.2175.280.2-0.3110.3E47 M84E47-R101 VanDerWaalsContact CD-NH2 3.27Å; E47-R101 IonicContact OE1-CZ 3.17Å; E47-R101 IonicContact OE1-NE 3.39Å; E47-R101 IonicContact OE1-NH2 3.42Å; E47-R101 PolarHBondContact OE1-NH2 2.82Å; E47-R101 IonicContact OE2-CZ 3.19Å; E47-R101 VanDerWaalsContact OE2-CZ 3.31Å; E47-R101 IonicContact OE2-NE 3.31Å; E47-R101 PolarHBondContact OE2-NE 3.22Å; E47-R101 IonicContact OE2-NH2 2.66Å; E47-R101 PolarHBondContact OE2-NH2 3Å; M84-R101 HydrophobicContact CB-CG 4.41Å
102I98.2Very high96.5Very high5 Ų559.1 Ų59.13%0.02633%0.329CS..PPolyproline II helixtrans-93.3135.3175.4-52.2-54.8000108L23 V25 P83 L85 I100 K104 V106 Y112 F114L23-I102 HydrophobicContact CD2-CG2 4.02Å; V25-I102 HydrophobicContact CG1-CD1 4.27Å; V25-I102 HydrophobicContact CG2-CG1 4.44Å; P83-I102 HydrophobicContact CB-CB 4.1Å; P83-I102 HydrophobicContact CG-CB 3.93Å; P83-I102 HydrophobicContact CG-CG2 4.32Å; P83-I102 WeakPolarHBondContact O-CA 3.32Å; P83-I102 WeakPolarHBondContact O-CB 3.38Å; P83-I102 PolarHBondContact O-N 2.61Å; L85-I102 HydrophobicContact CD1-CD1 4.47Å; L85-I102 HydrophobicContact CG-CD1 4.21Å; I100-I102 HydrophobicContact CG2-CD1 4.41Å; I102-K104 PolarHBondContact O-N 2.83Å; I102-V106 HydrophobicContact CG2-CG2 3.68Å; I102-Y112 HydrophobicContact CD1-CD1 3.79Å; I102-Y112 HydrophobicContact CD1-CE1 3.76Å; I102-Y112 HydrophobicContact CG1-CD1 4.49Å; I102-Y112 HydrophobicContact CG2-CD1 3.61Å; I102-Y112 HydrophobicContact CG2-CD2 4.24Å; I102-Y112 HydrophobicContact CG2-CE1 4.13Å; I102-Y112 HydrophobicContact CG2-CG 3.65Å; I102-F114 HydrophobicContact CD1-CE2 3.98Å; I102-F114 HydrophobicContact CD1-CZ 3.59Å
103P97.5Very high96.7Very high65 Ų6563.7 Ų63.742%0.42235%0.349SS..PPolyproline II helixtrans-62.9122.1-174.9-20.631.4000111.9A105 V106 Y112P103-A105 PolarHBondContact O-N 2.92Å; P103-V106 HydrophobicContact CB-CG1 4.24Å; P103-V106 WeakPolarHBondContact O-CG2 3.38Å; P103-V106 PolarHBondContact O-N 3.21Å; P103-Y112 HydrophobicContact CG-CE2 4.4Å
104K95.8Very high97Very high75 Ų7561.5 Ų61.533%0.32632%0.32SS..G310 helixtrans-48.9-34.3-179.3-58.2-171.797.3157.50113.7T80 I81 D82 I102 V106 V107T80-K104 HydrophobicContact CG2-CB 4.08Å; T80-K104 WeakPolarHBondContact O-CE 3.38Å; T80-K104 PolarHBondContact O-NZ 3.16Å; I81-K104 VanDerWaalsContact C-CE 3.43Å; I81-K104 WeakPolarHBondContact O-CE 3.42Å; D82-K104 WeakPolarHBondContact OD1-CD 3.18Å; D82-K104 WeakPolarHBondContact OD1-CE 3.48Å; D82-K104 IonicContact OD1-NZ 2.79Å; D82-K104 PolarHBondContact OD1-NZ 3.08Å; D82-K104 WeakPolarHBondContact OD2-CE 3.31Å; D82-K104 IonicContact OD2-NZ 3.55Å; D82-K104 PolarHBondContact OD2-NZ 2.65Å; I102-K104 PolarHBondContact O-N 2.83Å; K104-V106 PolarHBondContact O-N 3.05Å; K104-V106 VanDerWaalsContact O-N 3.08Å; K104-V107 VanDerWaalsContact O-CB 3.28Å; K104-V107 WeakPolarHBondContact O-CB 3.47Å; K104-V107 VanDerWaalsContact O-CG2 3.25Å; K104-V107 WeakPolarHBondContact O-CG2 3.48Å; K104-V107 PolarHBondContact O-N 3.08Å
105A96Very high97.1Very high89 Ų8964.7 Ų64.774%0.73633%0.334SS*.G310 helixtrans-56.2-26.7179.300000114P103 V107P103-A105 PolarHBondContact O-N 2.92Å; A105-V107 VanDerWaalsContact C-N 3.34Å
106V97.1Very high97.2Very high28 Ų2868.6 Ų68.617%0.1736%0.356CS..G310 helixtrans-80.9-15.4-178.6-46.90000112.8L23 I102 P103 K104 K108 S109 G110 Y112L23-V106 HydrophobicContact CD1-CG2 4.09Å; I102-V106 HydrophobicContact CG2-CG2 3.68Å; P103-V106 HydrophobicContact CB-CG1 4.24Å; P103-V106 WeakPolarHBondContact O-CG2 3.38Å; P103-V106 PolarHBondContact O-N 3.21Å; K104-V106 PolarHBondContact O-N 3.05Å; K104-V106 VanDerWaalsContact O-N 3.08Å; V106-K108 PolarHBondContact O-N 3.27Å; V106-S109 WeakPolarHBondContact O-CA 3.21Å; V106-S109 WeakPolarHBondContact O-CB 3.43Å; V106-S109 PolarHBondContact O-N 2.94Å; V106-S109 PolarHBondContact O-OG 2.87Å; V106-G110 PolarHBondContact O-N 3.18Å; V106-Y112 HydrophobicContact CB-CD2 4.19Å; V106-Y112 HydrophobicContact CG1-CD2 3.84Å; V106-Y112 HydrophobicContact CG1-CE2 4.31Å; V106-Y112 HydrophobicContact CG2-CD2 3.93Å; V106-Y112 HydrophobicContact CG2-CG 4.1Å
107V97.2Very high97.3Very high11 Ų1169.2 Ų69.27%0.06736%0.363CS..G310 helixtrans-56.3-40.4176.5176.60000110.5Q21 T80 I81 P83 K104 A105 S109 G110Q21-V107 HydrophobicContact CB-CG1 3.83Å; Q21-V107 HydrophobicContact CG-CG1 4.32Å; T80-V107 HydrophobicContact CG2-CB 3.88Å; T80-V107 HydrophobicContact CG2-CG1 4.12Å; T80-V107 HydrophobicContact CG2-CG2 4Å; I81-V107 HydrophobicContact CD1-CG1 4.15Å; I81-V107 HydrophobicContact CD1-CG2 4.23Å; I81-V107 HydrophobicContact CG1-CB 4.41Å; I81-V107 HydrophobicContact CG1-CG1 3.76Å; I81-V107 HydrophobicContact CG1-CG2 3.73Å; P83-V107 HydrophobicContact CG-CG2 3.79Å; K104-V107 VanDerWaalsContact O-CB 3.28Å; K104-V107 WeakPolarHBondContact O-CB 3.47Å; K104-V107 VanDerWaalsContact O-CG2 3.25Å; K104-V107 WeakPolarHBondContact O-CG2 3.48Å; K104-V107 PolarHBondContact O-N 3.08Å; A105-V107 VanDerWaalsContact C-N 3.34Å; V107-S109 PolarHBondContact O-N 2.78Å; V107-G110 PolarHBondContact O-N 3.27Å
108K95.7Very high97.3Very high206 Ų20668 Ų6890%0.89636%0.36SS*.G310 helixtrans-60-30.2175.8-173.9175.8179.9179.30113.4V106V106-K108 PolarHBondContact O-N 3.27Å
109S96Very high97.3Very high81 Ų8169.6 Ų69.657%0.56637%0.369SS*.G310 helixtrans-84.3-15.9176.873.20000113.4V106 V107 I111V106-S109 WeakPolarHBondContact O-CA 3.21Å; V106-S109 WeakPolarHBondContact O-CB 3.43Å; V106-S109 PolarHBondContact O-N 2.94Å; V106-S109 PolarHBondContact O-OG 2.87Å; V107-S109 PolarHBondContact O-N 2.78Å; S109-I111 PolarHBondContact O-N 2.8Å; S109-I111 VanDerWaalsContact O-N 3.15Å; S109-I111 PolarHBondContact OG-O 2.97Å
110G97.4Very high97.4Very high22 Ų2268.8 Ų68.823%0.22736%0.364CS..THydrogen-bonded Turntrans72.7-6.117900000115.6T24 V106 V107T24-G110 PolarHBondContact N-O 3.31Å; V106-G110 PolarHBondContact O-N 3.18Å; V107-G110 PolarHBondContact O-N 3.27Å
111I98.3Very high97.3Very high103 Ų10369.2 Ų69.253%0.52837%0.37SS..EExtended strand (participates in β ladder)trans-138.7131-178.7-56-179.9000110.6T24 L26 S109T24-I111 CarbonylContact O-C 3.59Å; T24-I111 WeakPolarHBondContact O-CA 3.37Å; L26-I111 HydrophobicContact CD2-CG2 3.69Å; S109-I111 PolarHBondContact O-N 2.8Å; S109-I111 VanDerWaalsContact O-N 3.15Å; S109-I111 PolarHBondContact OG-O 2.97Å
112Y98.5Very high97.2Very high56 Ų5664.4 Ų64.422%0.2236%0.36CS..EExtended strand (participates in β ladder)trans-123.5117.7168.5-173.8-110.9000110.9T24 V25 L26 I102 P103 V106 F114T24-Y112 PolarHBondContact O-N 3.44Å; V25-Y112 WeakPolarHBondContact CA-O 3.47Å; V25-Y112 HydrophobicContact CG1-CD1 4.13Å; L26-Y112 PolarHBondContact N-O 2.98Å; I102-Y112 HydrophobicContact CD1-CD1 3.79Å; I102-Y112 HydrophobicContact CD1-CE1 3.76Å; I102-Y112 HydrophobicContact CG1-CD1 4.49Å; I102-Y112 HydrophobicContact CG2-CD1 3.61Å; I102-Y112 HydrophobicContact CG2-CD2 4.24Å; I102-Y112 HydrophobicContact CG2-CE1 4.13Å; I102-Y112 HydrophobicContact CG2-CG 3.65Å; P103-Y112 HydrophobicContact CG-CE2 4.4Å; V106-Y112 HydrophobicContact CB-CD2 4.19Å; V106-Y112 HydrophobicContact CG1-CD2 3.84Å; V106-Y112 HydrophobicContact CG1-CE2 4.31Å; V106-Y112 HydrophobicContact CG2-CD2 3.93Å; V106-Y112 HydrophobicContact CG2-CG 4.1Å; Y112-F114 HydrophobicContact CD1-CD2 4.22Å; Y112-F114 HydrophobicContact CD1-CE2 4.01Å; Y112-F114 HydrophobicContact CD1-CZ 4.37Å; Y112-F114 HydrophobicContact CE1-CD1 4.11Å; Y112-F114 AromaticContact CE1-CD2 3.98Å; Y112-F114 HydrophobicContact CE1-CD2 3.98Å; Y112-F114 AromaticContact CE1-CE1 3.92Å; Y112-F114 HydrophobicContact CE1-CE1 3.92Å; Y112-F114 AromaticContact CE1-CE2 3.78Å; Y112-F114 HydrophobicContact CE1-CE2 3.78Å; Y112-F114 HydrophobicContact CE1-CG 4.15Å; Y112-F114 AromaticContact CE1-CZ 3.76Å; Y112-F114 HydrophobicContact CE1-CZ 3.76Å
113K98.3Very high97Very high150 Ų15071.4 Ų71.465%0.65240%0.397SS*.EExtended strand (participates in β ladder)trans-109.2121.1174.2-178.8177.7179.3-1790109.5L26 N115L26-K113 HydrophobicContact CD1-CB 4.3Å; L26-K113 HydrophobicContact CD1-CD 4.06Å; L26-K113 HydrophobicContact CD1-CG 3.98Å; L26-K113 HydrophobicContact CD2-CB 4.16Å; L26-K113 HydrophobicContact CG-CB 3.98Å; L26-K113 HydrophobicContact CG-CG 4.01Å; L26-K113 WeakPolarHBondContact O-CA 3.32Å; K113-N115 PolarHBondContact O-N 2.82Å
114F98.2Very high96.8Very high22 Ų2271.4 Ų71.410%0.09639%0.393CS..  trans-60.5128.3170.4-75.2-92.4000109.8V25 L26 F67 L85 I100 I102 Y112 T116 I118V25-F114 HydrophobicContact CG1-CD2 4.32Å; V25-F114 HydrophobicContact CG1-CE2 3.73Å; L26-F114 PolarHBondContact O-N 2.95Å; F67-F114 HydrophobicContact CE2-CE2 4.42Å; F67-F114 AromaticContact CZ-CD2 3.87Å; F67-F114 HydrophobicContact CZ-CD2 3.87Å; F67-F114 AromaticContact CZ-CE2 3.91Å; F67-F114 HydrophobicContact CZ-CE2 3.91Å; L85-F114 HydrophobicContact CD1-CE2 3.68Å; L85-F114 HydrophobicContact CD1-CZ 3.95Å; I100-F114 HydrophobicContact CG2-CE1 4.01Å; I100-F114 HydrophobicContact CG2-CZ 3.95Å; I102-F114 HydrophobicContact CD1-CE2 3.98Å; I102-F114 HydrophobicContact CD1-CZ 3.59Å; Y112-F114 HydrophobicContact CD1-CD2 4.22Å; Y112-F114 HydrophobicContact CD1-CE2 4.01Å; Y112-F114 HydrophobicContact CD1-CZ 4.37Å; Y112-F114 HydrophobicContact CE1-CD1 4.11Å; Y112-F114 AromaticContact CE1-CD2 3.98Å; Y112-F114 HydrophobicContact CE1-CD2 3.98Å; Y112-F114 AromaticContact CE1-CE1 3.92Å; Y112-F114 HydrophobicContact CE1-CE1 3.92Å; Y112-F114 AromaticContact CE1-CE2 3.78Å; Y112-F114 HydrophobicContact CE1-CE2 3.78Å; Y112-F114 HydrophobicContact CE1-CG 4.15Å; Y112-F114 AromaticContact CE1-CZ 3.76Å; Y112-F114 HydrophobicContact CE1-CZ 3.76Å; F114-T116 VanDerWaalsContact C-N 3.34Å; F114-I118 HydrophobicContact CD1-CD1 3.9Å; F114-I118 HydrophobicContact CD1-CG1 4.09Å; F114-I118 HydrophobicContact CD2-CD1 4.29Å; F114-I118 HydrophobicContact CE1-CD1 3.83Å; F114-I118 HydrophobicContact CE1-CG1 4.31Å; F114-I118 HydrophobicContact CE2-CD1 4.23Å; F114-I118 HydrophobicContact CG-CD1 4.13Å; F114-I118 HydrophobicContact CZ-CD1 3.99Å
115N96.8Very high96.8Very high147 Ų14777.6 Ų77.679%0.78642%0.42SS*.SBendtrans-77.4-21.9179.162.1-10.1000112.7K113K113-N115 PolarHBondContact O-N 2.82Å
116T96.6Very high96.9Very high94 Ų9475 Ų7558%0.57740%0.396SS*.SBendtrans-126.4156.8179.959.70000111.2F114F114-T116 VanDerWaalsContact C-N 3.34Å
117T97.3Very high96.8Very high52 Ų5274.8 Ų74.832%0.31939%0.393SS..  trans-72.2128.9170.8-490000109.8Q28 K30 D119Q28-T117 HydrophobicContact CB-CG2 4Å; Q28-T117 HydrophobicContact CG-CG2 3.93Å; Q28-T117 CarbonylContact O-C 3.55Å; Q28-T117 WeakPolarHBondContact O-CA 3.37Å; Q28-T117 WeakPolarHBondContact O-CG2 3.43Å; Q28-T117 PolarHBondContact OE1-OG1 2.99Å; K30-T117 HydrophobicContact CB-CG2 3.95Å; K30-T117 HydrophobicContact CD-CG2 3.76Å; K30-T117 HydrophobicContact CG-CG2 3.74Å; T117-D119 PolarHBondContact O-N 3.23Å
118I97.8Very high96.8Very high15 Ų1578.9 Ų78.98%0.07741%0.412CS..EExtended strand (participates in β ladder)trans-75.6114.1177.5-57.3164.1000108.7Q28 V29 K30 F67 I87 I100 F114 L120Q28-I118 PolarHBondContact O-N 3.37Å; V29-I118 CarbonylContact C-O 3.59Å; V29-I118 WeakPolarHBondContact CA-O 3.34Å; V29-I118 HydrophobicContact CG1-CB 4.17Å; V29-I118 HydrophobicContact CG1-CD1 4.41Å; K30-I118 PolarHBondContact N-O 2.88Å; F67-I118 HydrophobicContact CE1-CD1 4.16Å; F67-I118 HydrophobicContact CZ-CD1 4.19Å; I87-I118 HydrophobicContact CD1-CD1 4.16Å; I100-I118 HydrophobicContact CD1-CD1 3.86Å; I100-I118 HydrophobicContact CD1-CG1 4.41Å; I100-I118 HydrophobicContact CD1-CG2 4.02Å; F114-I118 HydrophobicContact CD1-CD1 3.9Å; F114-I118 HydrophobicContact CD1-CG1 4.09Å; F114-I118 HydrophobicContact CD2-CD1 4.29Å; F114-I118 HydrophobicContact CE1-CD1 3.83Å; F114-I118 HydrophobicContact CE1-CG1 4.31Å; F114-I118 HydrophobicContact CE2-CD1 4.23Å; F114-I118 HydrophobicContact CG-CD1 4.13Å; F114-I118 HydrophobicContact CZ-CD1 3.99Å; I118-L120 HydrophobicContact CG2-CD2 3.87Å; I118-L120 HydrophobicContact CG2-CG 4.4Å; I118-L120 PolarHBondContact O-N 2.79Å
119D97.8Very high96.8Very high38 Ų3877 Ų7720%0.20340%0.403CS..EExtended strand (participates in β ladder)trans-86.1104.5174.9-164.7-23.8000110.9K30 G32 R98 T117 S121 S122K30-D119 WeakPolarHBondContact CE-OD2 3.33Å; K30-D119 HydrophobicContact CG-CB 4.22Å; K30-D119 IonicContact NZ-OD2 2.66Å; G32-D119 WeakPolarHBondContact CA-OD1 3.15Å; G32-D119 WeakPolarHBondContact CA-OD2 3.23Å; G32-D119 PolarHBondContact N-OD1 2.96Å; R98-D119 PolarHBondContact NH1-O 2.9Å; T117-D119 PolarHBondContact O-N 3.23Å; D119-S121 PolarHBondContact O-N 2.66Å; D119-S121 WeakPolarHBondContact OD1-CB 3.14Å; D119-S121 PolarHBondContact OD1-N 3.18Å; D119-S121 PolarHBondContact OD1-OG 2.84Å; D119-S122 PolarHBondContact O-N 3.19Å; D119-S122 PolarHBondContact O-OG 2.63Å
120L97.8Very high96.6Very high0 Ų076.7 Ų76.70%039%0.393CS..THydrogen-bonded Turntrans-79.4-3.1-179.5-63.1175.5000113V29 K30 V40 I87 H89 C91 R98 I118V29-L120 HydrophobicContact CB-CD1 3.79Å; V29-L120 HydrophobicContact CB-CG 4.26Å; V29-L120 HydrophobicContact CG1-CD1 3.97Å; V29-L120 HydrophobicContact CG1-CG 4.35Å; V29-L120 HydrophobicContact CG2-CD1 4.35Å; K30-L120 PolarHBondContact O-N 2.94Å; V40-L120 HydrophobicContact CG1-CD1 3.89Å; V40-L120 HydrophobicContact CG2-CD1 4.16Å; I87-L120 HydrophobicContact CB-CD2 4.44Å; I87-L120 HydrophobicContact CD1-CD2 4.37Å; I87-L120 HydrophobicContact CG2-CD1 3.77Å; I87-L120 HydrophobicContact CG2-CD2 3.83Å; I87-L120 HydrophobicContact CG2-CG 4.47Å; H89-L120 HydrophobicContact CB-CD1 3.87Å; H89-L120 PolarHBondContact CE1-O 2.66Å; C91-L120 HydrophobicContact CB-CB 4.21Å; C91-L120 WeakPolarHBondContact SG-CB 3.28Å; R98-L120 HydrophobicContact CB-CD2 4.48Å; I118-L120 HydrophobicContact CG2-CD2 3.87Å; I118-L120 HydrophobicContact CG2-CG 4.4Å; I118-L120 PolarHBondContact O-N 2.79Å
121S96.7Very high96Very high44 Ų4482.7 Ų82.731%0.30841%0.413SS..THydrogen-bonded Turntrans-89.2-21172.274.50000113G32 K92 D119G32-S121 WeakPolarHBondContact CA-OG 3Å; G32-S121 PolarHBondContact N-OG 3.42Å; K92-S121 VanDerWaalsContact CE-O 3.31Å; K92-S121 WeakPolarHBondContact CE-O 3.25Å; D119-S121 PolarHBondContact O-N 2.66Å; D119-S121 WeakPolarHBondContact OD1-CB 3.14Å; D119-S121 PolarHBondContact OD1-N 3.18Å; D119-S121 PolarHBondContact OD1-OG 2.84Å
122S96.2Very high94.8Very high50 Ų5080.4 Ų80.435%0.3540%0.398SS..SBendtrans-68.1149.917972.40000111.1K92 R98 D119K92-S122 VanDerWaalsContact CE-O 3.22Å; K92-S122 WeakPolarHBondContact CE-O 2.95Å; K92-S122 PolarHBondContact NZ-O 2.68Å; R98-S122 PolarHBondContact NH2-O 3.21Å; D119-S122 PolarHBondContact O-N 3.19Å; D119-S122 PolarHBondContact O-OG 2.63Å
123D93.4Very high93.5Very high151 Ų15184.6 Ų84.681%0.80742%0.42SS*.  trans-68.5133.7169.8-70.5-33.7000111.2K92K92-D123 IonicContact NZ-OD1 3.37Å; K92-D123 PolarHBondContact NZ-OD1 2.99Å; K92-D123 VanDerWaalsContact NZ-OD1 3.15Å
124D94.8Very high91.9Very high65 Ų6578.6 Ų78.635%0.34840%0.395SS..  trans-146.3134.7-179.7-166.1-59.6000108.1T126 D127D124-T126 PolarHBondContact O-N 3.05Å; D124-T126 VanDerWaalsContact O-N 3.16Å; D124-T126 WeakPolarHBondContact OD1-CB 3.4Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.03Å; D124-T126 PolarHBondContact OD1-N 3.41Å; D124-T126 PolarHBondContact OD1-OG1 2.79Å; D124-D127 WeakPolarHBondContact O-CB 3.42Å; D124-D127 PolarHBondContact O-N 3.13Å; D124-D127 VanDerWaalsContact O-N 3.08Å
125K95.9Very high90.1Very high206 Ų20681.4 Ų81.490%0.89641%0.414SS*.THydrogen-bonded Turntrans-64.5-16.8-179.965.3-178.7179.3179.60113.5D127K125-D127 VanDerWaalsContact C-N 3.33Å
126T96.4Very high88.1Confident35 Ų3581.3 Ų81.322%0.21541%0.409CS..THydrogen-bonded Turntrans-88.7-2.517866.30000113R98 T99 D124R98-T126 WeakPolarHBondContact CG-OG1 3.41Å; T99-T126 PolarHBondContact N-O 2.94Å; T99-T126 WeakPolarHBondContact O-CB 3.2Å; T99-T126 WeakPolarHBondContact O-CG2 3.45Å; T99-T126 PolarHBondContact O-OG1 2.63Å; D124-T126 PolarHBondContact O-N 3.05Å; D124-T126 VanDerWaalsContact O-N 3.16Å; D124-T126 WeakPolarHBondContact OD1-CB 3.4Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.03Å; D124-T126 PolarHBondContact OD1-N 3.41Å; D124-T126 PolarHBondContact OD1-OG1 2.79Å
127D96.1Very high86Confident22 Ų2279.2 Ų79.212%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-79.5122172-81.9-12.3000111H89 K92 Y96 R98 D124 K125H89-D127 IonicContact NE2-OD1 2.7Å; K92-D127 WeakPolarHBondContact CE-OD2 3.3Å; K92-D127 IonicContact NZ-OD2 2.73Å; K92-D127 PolarHBondContact NZ-OD2 3.26Å; Y96-D127 HydrophobicContact CD1-CB 3.93Å; Y96-D127 HydrophobicContact CE1-CB 4.42Å; R98-D127 WeakPolarHBondContact CB-OD1 3.34Å; R98-D127 WeakPolarHBondContact CG-OD1 3.23Å; R98-D127 IonicContact CZ-OD1 2.69Å; R98-D127 IonicContact CZ-OD2 2.7Å; R98-D127 IonicContact NE-OD1 3.49Å; R98-D127 PolarHBondContact NE-OD1 3.01Å; R98-D127 IonicContact NE-OD2 3.61Å; R98-D127 IonicContact NH2-OD1 2.74Å; R98-D127 PolarHBondContact NH2-OD1 2.91Å; R98-D127 IonicContact NH2-OD2 3.65Å; R98-D127 PolarHBondContact NH2-OD2 2.04Å; D124-D127 WeakPolarHBondContact O-CB 3.42Å; D124-D127 PolarHBondContact O-N 3.13Å; D124-D127 VanDerWaalsContact O-N 3.08Å; K125-D127 VanDerWaalsContact C-N 3.33Å
128E96.3Very high83.8Confident98 Ų9881.4 Ų81.446%0.45842%0.415SS..EExtended strand (participates in β ladder)trans-116.3138.5170.3-68170.2-156.600109.8Y96 R97 H130Y96-E128 CarbonylContact C-O 3.53Å; Y96-E128 VanDerWaalsContact CA-O 3.28Å; Y96-E128 WeakPolarHBondContact CA-O 3.34Å; Y96-E128 WeakPolarHBondContact CD1-O 3.09Å; R97-E128 IonicContact CZ-OE2 2.63Å; R97-E128 PolarHBondContact N-O 2.92Å; R97-E128 IonicContact NE-OE2 3.15Å; R97-E128 VanDerWaalsContact NH2-CD 3.34Å; R97-E128 IonicContact NH2-OE1 2.83Å; R97-E128 PolarHBondContact NH2-OE1 3.42Å; R97-E128 IonicContact NH2-OE2 2.63Å; R97-E128 PolarHBondContact NH2-OE2 3.2Å; R97-E128 PolarHBondContact O-N 2.83Å; E128-H130 PolarHBondContact O-N 2.99Å
129K95.5Very high81.7Confident165 Ų16587.8 Ų87.872%0.71744%0.442SS*.EExtended strand (participates in β ladder)trans-59127.2169.8-76.4-176.8-179.6176.90108.4Y96Y96-K129 HydrophobicContact CD1-CG 4.35Å; Y96-K129 HydrophobicContact CE1-CB 4.5Å; Y96-K129 HydrophobicContact CE1-CG 3.66Å; Y96-K129 HydrophobicContact CE2-CG 4.43Å; Y96-K129 WeakPolarHBondContact OH-CE 3.06Å
130H92.4Very high79.4Confident76 Ų7687.4 Ų87.435%0.35244%0.44SS..  trans-138.1140.5-176.4-168.779.5000110.1Y88 G95 R97 E128 Y132Y88-H130 AromaticContact CD1-CD2 3.57Å; Y88-H130 AromaticContact CD1-NE2 3.98Å; Y88-H130 AromaticContact CE1-CD2 3.58Å; Y88-H130 AromaticContact CE1-NE2 3.54Å; G95-H130 CarbonylContact C-O 3.52Å; G95-H130 VanDerWaalsContact CA-O 3.25Å; G95-H130 WeakPolarHBondContact CA-O 3.34Å; G95-H130 PolarHBondContact O-N 2.83Å; R97-H130 HydrophobicContact CB-CB 3.84Å; E128-H130 PolarHBondContact O-N 2.99Å; H130-Y132 PolarHBondContact O-N 3.12Å
131K85.5Confident77.3Confident148 Ų14896.4 Ų96.464%0.64348%0.482SS*.  trans-67.5109.3175.4-168.9-179.9164.1-163.20108.2Q133K131-Q133 VanDerWaalsContact C-N 3.27Å; K131-Q133 HydrophobicContact CD-CG 4.07Å; K131-Q133 VanDerWaalsContact CD-NE2 3.31Å; K131-Q133 HydrophobicContact CG-CG 3.94Å; K131-Q133 PolarHBondContact O-N 3.09Å
132Y72.4Confident74.9Confident55 Ų5598.4 Ų98.422%0.21649%0.493CS..  trans-71.280.3-177.7-165.8-101.1000111P39 Y88 T90 H130 V134P39-Y132 PolarHBondContact O-OH 3.34Å; Y88-Y132 VanDerWaalsContact C-CE2 3.47Å; Y88-Y132 WeakPolarHBondContact O-CE2 3.15Å; T90-Y132 HydrophobicContact CG2-CD1 3.82Å; T90-Y132 HydrophobicContact CG2-CD2 4Å; T90-Y132 HydrophobicContact CG2-CE1 4.32Å; T90-Y132 HydrophobicContact CG2-CG 3.65Å; H130-Y132 PolarHBondContact O-N 3.12Å; Y132-V134 HydrophobicContact CD1-CB 4.34Å; Y132-V134 HydrophobicContact CD1-CG2 4.34Å; Y132-V134 HydrophobicContact CD2-CG2 3.85Å; Y132-V134 HydrophobicContact CE1-CB 3.74Å; Y132-V134 HydrophobicContact CE1-CG2 3.94Å; Y132-V134 HydrophobicContact CE2-CB 4.05Å; Y132-V134 HydrophobicContact CE2-CG2 3.33Å; Y132-V134 HydrophobicContact CG-CG2 4.29Å; Y132-V134 WeakPolarHBondContact OH-CB 3.18Å
133Q70.3Confident72.7Confident144 Ų144100.1 Ų100.167%0.67351%0.505SS*.  trans-10266174.8-66-174.575.100109.2K131K131-Q133 VanDerWaalsContact C-N 3.27Å; K131-Q133 HydrophobicContact CD-CG 4.07Å; K131-Q133 VanDerWaalsContact CD-NE2 3.31Å; K131-Q133 HydrophobicContact CG-CG 3.94Å; K131-Q133 PolarHBondContact O-N 3.09Å
134V65.5Low70.7Confident23 Ų2396.6 Ų96.614%0.13949%0.489CS..PPolyproline II helixtrans-101127.8176.9178.50000107.7F41 Y60 Y132 Q136F41-V134 HydrophobicContact CB-CB 4.32Å; F41-V134 HydrophobicContact CB-CG1 3.46Å; F41-V134 VanDerWaalsContact CB-CG1 3.46Å; F41-V134 HydrophobicContact CB-CG2 3.84Å; F41-V134 HydrophobicContact CD1-CG1 4.22Å; F41-V134 HydrophobicContact CD1-CG2 4.01Å; F41-V134 HydrophobicContact CG-CG1 3.87Å; F41-V134 HydrophobicContact CG-CG2 4.29Å; Y60-V134 HydrophobicContact CD1-CG1 4.33Å; Y60-V134 HydrophobicContact CE1-CG1 3.19Å; Y60-V134 VanDerWaalsContact CZ-CG1 3.5Å; Y60-V134 WeakPolarHBondContact OH-CG1 3.36Å; Y132-V134 HydrophobicContact CD1-CB 4.34Å; Y132-V134 HydrophobicContact CD1-CG2 4.34Å; Y132-V134 HydrophobicContact CD2-CG2 3.85Å; Y132-V134 HydrophobicContact CE1-CB 3.74Å; Y132-V134 HydrophobicContact CE1-CG2 3.94Å; Y132-V134 HydrophobicContact CE2-CB 4.05Å; Y132-V134 HydrophobicContact CE2-CG2 3.33Å; Y132-V134 HydrophobicContact CG-CG2 4.29Å; Y132-V134 WeakPolarHBondContact OH-CB 3.18Å; V134-Q136 PolarHBondContact O-N 2.69Å
135T60.9Low68.9Low81 Ų8193.7 Ų93.750%0.49747%0.474SS..PPolyproline II helixtrans-52.1134.2178.6-58.30000110.2Y60 C137 K139Y60-T135 PolarHBondContact OH-O 2.99Å; T135-C137 PolarHBondContact O-N 2.73Å; T135-K139 HydrophobicContact CG2-CD 4.23Å
136Q53.5Low67.2Low145 Ų14589.6 Ų89.668%0.67846%0.456SS*.PPolyproline II helixtrans-63.2137.8-173.8-70.5-156.2-9.500112.6V134 S138 K139V134-Q136 PolarHBondContact O-N 2.69Å; Q136-S138 WeakPolarHBondContact CB-OG 3.26Å; Q136-S138 PolarHBondContact O-N 2.81Å; Q136-S138 PolarHBondContact OE1-OG 3.33Å; Q136-K139 PolarHBondContact O-N 2.71Å
137C53.9Low65.2Low50 Ų5089.3 Ų89.334%0.33846%0.455SS..G310 helixtrans-56.2-15.6172.5-80.90000114.7P39 T135 K139 L140P39-C137 WeakPolarHBondContact CB-SG 3.32Å; P39-C137 HydrophobicContact CG-CB 3.88Å; P39-C137 WeakPolarHBondContact CG-SG 3.28Å; T135-C137 PolarHBondContact O-N 2.73Å; C137-K139 PolarHBondContact O-N 2.77Å; C137-L140 HydrophobicContact CB-CD1 4.14Å; C137-L140 WeakPolarHBondContact O-CB 3.18Å; C137-L140 PolarHBondContact O-N 2.75Å; C137-L140 WeakPolarHBondContact SG-CD1 3.32Å
138S50.6Low63Low98 Ų98100.1 Ų100.169%0.68550%0.501SS*.G310 helixtrans-59.4-11.717448.40000113.6Q136Q136-S138 WeakPolarHBondContact CB-OG 3.26Å; Q136-S138 PolarHBondContact O-N 2.81Å; Q136-S138 PolarHBondContact OE1-OG 3.33Å
139K53.4Low61.4Low149 Ų149100.2 Ų100.265%0.64850%0.503SS*.G310 helixtrans-98.8-1.8169.9-62.4-175.1178.6-176.80114.6T135 Q136 C137T135-K139 HydrophobicContact CG2-CD 4.23Å; Q136-K139 PolarHBondContact O-N 2.71Å; C137-K139 PolarHBondContact O-N 2.77Å
140L50.6Low59.6Low31 Ų3196.8 Ų96.816%0.16249%0.492CS..  trans-103.5106.8-176.8-55.8176.5000109.3Y60 C137 T142 K146Y60-L140 HydrophobicContact CD1-CD1 4.16Å; Y60-L140 HydrophobicContact CD2-CD1 3.2Å; Y60-L140 HydrophobicContact CD2-CD2 4.27Å; Y60-L140 HydrophobicContact CD2-CG 4.36Å; Y60-L140 HydrophobicContact CE1-CD1 4.27Å; Y60-L140 HydrophobicContact CE2-CD1 3.41Å; Y60-L140 VanDerWaalsContact CE2-CD1 3.41Å; Y60-L140 HydrophobicContact CE2-CD2 4.11Å; Y60-L140 HydrophobicContact CE2-CG 4.32Å; Y60-L140 HydrophobicContact CG-CD1 3.62Å; C137-L140 HydrophobicContact CB-CD1 4.14Å; C137-L140 WeakPolarHBondContact O-CB 3.18Å; C137-L140 PolarHBondContact O-N 2.75Å; C137-L140 WeakPolarHBondContact SG-CD1 3.32Å; L140-T142 PolarHBondContact O-N 2.71Å; L140-K146 WeakPolarHBondContact CD2-O 3.36Å
141E52.1Low57.7Low188 Ų18897.9 Ų97.988%0.87950%0.5SS*.  trans-79.34.4177.9-63.2-155.116700113.9
142T48Very low56.1Low87 Ų8795 Ų9553%0.53449%0.491SS..SBendtrans-125.7151.3-17458.90000112.3L140 T144 G145L140-T142 PolarHBondContact O-N 2.71Å; T142-T144 WeakPolarHBondContact CB-O 2.82Å; T142-T144 PolarHBondContact O-N 2.77Å; T142-T144 VanDerWaalsContact O-N 3.15Å; T142-T144 VanDerWaalsContact OG1-C 3.25Å; T142-T144 PolarHBondContact OG1-O 2.73Å; T142-G145 WeakPolarHBondContact OG1-CA 3.46Å
143S49.2Very low55.1Low85 Ų8597.5 Ų97.559%0.59451%0.508SS*.SBendtrans-66.5-8174.457.30000113.4S62S62-S143 WeakPolarHBondContact CA-O 3.46Å; S62-S143 WeakPolarHBondContact CB-O 3.25Å
144T51.8Low54.1Low77 Ų7794.4 Ų94.447%0.47250%0.497SS..SBendtrans-145.6101.3171.646.30000104.7T142T142-T144 WeakPolarHBondContact CB-O 2.82Å; T142-T144 PolarHBondContact O-N 2.77Å; T142-T144 VanDerWaalsContact O-N 3.15Å; T142-T144 VanDerWaalsContact OG1-C 3.25Å; T142-T144 PolarHBondContact OG1-O 2.73Å
145G56.6Low53.2Low4 Ų499.5 Ų99.54%0.04152%0.523CS..  trans-107.5130-175.200000109.1G59 Y60 T142G59-G145 WeakPolarHBondContact CA-O 2.84Å; Y60-G145 VanDerWaalsContact CD2-O 3.24Å; Y60-G145 WeakPolarHBondContact CD2-O 3.01Å; Y60-G145 PolarHBondContact N-O 2.85Å; T142-G145 WeakPolarHBondContact OG1-CA 3.46Å
146K60.7Low52.7Low121 Ų121100.9 Ų100.953%0.52653%0.525SS..  trans-72.7142.5154.1-59.6-164.9175-155.50106.6D57 L140 K148D57-K146 WeakPolarHBondContact OD1-CE 3.39Å; D57-K146 IonicContact OD1-NZ 2.97Å; D57-K146 PolarHBondContact OD1-NZ 2.87Å; D57-K146 IonicContact OD2-NZ 3.57Å; D57-K146 PolarHBondContact OD2-NZ 2.8Å; L140-K146 WeakPolarHBondContact CD2-O 3.36Å; K146-K148 PolarHBondContact O-N 2.88Å
147P54.7Low52.6Low29 Ų2997.3 Ų97.319%0.18851%0.512CS..  trans-51.2135.3164-2031.8000108.9F41 E58 Y60F41-P147 HydrophobicContact CD2-CG 4.28Å; F41-P147 HydrophobicContact CE2-CG 3.35Å; F41-P147 HydrophobicContact CZ-CG 3.86Å; E58-P147 HydrophobicContact CG-CG 3.99Å; E58-P147 WeakPolarHBondContact OE1-CG 3.25Å; Y60-P147 HydrophobicContact CE2-CG 3.8Å
148K49.5Very low52.5Low248 Ų248101.5 Ų101.5100%1.07853%0.528SS*.  trans-76.30167.7-72.1-174.5179.7178.10109.8K146K146-K148 PolarHBondContact O-N 2.88Å

Retrieved 148 of 148 residues in 154.5 ms (Link to these results)

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