A0A077Z1N5_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 6

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077Z1N5, Species TRITR (Trichuris trichiura, Whipworm), Gene MED6, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low46.3Very low245 Ų245129.7 Ų129.7100%1.20777%0.771SS**  0980-69.6173.9-171.900107.5
2N37.8Very low48Very low165 Ų165123.8 Ų123.888%0.88274%0.738SS**  trans-130.9104.1166-153.8-3.8000105A4N2-A4 PolarHBondContact O-N 2.94Å
3V39.1Very low50.2Low130 Ų130119 Ų11979%0.78871%0.706SS**  trans-66.6115.9-174.6-159.20000105.1S5V3-S5 PolarHBondContact O-N 3.47Å
4A44.4Very low52.1Low90 Ų90122.1 Ų122.174%0.74471%0.71SS**  trans-48.2118176.100000107.4N2 G6N2-A4 PolarHBondContact O-N 2.94Å; A4-G6 PolarHBondContact O-N 3.43Å
5S44.1Very low54.2Low118 Ų118117.7 Ų117.783%0.82569%0.685SS**  trans-32.8122.1177.4-47.60000108.5V3 L7V3-S5 PolarHBondContact O-N 3.47Å; S5-L7 PolarHBondContact O-N 2.9Å
6G38Very low56.5Low65 Ų65117.2 Ų117.267%0.6767%0.674SS**  trans-37.9130.2-169.100000110.4A4 Q8A4-G6 PolarHBondContact O-N 3.43Å; G6-Q8 PolarHBondContact O-N 3.23Å
7L45.4Very low58.6Low166 Ų166111.8 Ų111.887%0.86964%0.64SS**  trans-54.177.8156-67.8160.9000105.7S5 V9S5-L7 PolarHBondContact O-N 2.9Å; L7-V9 HydrophobicContact CB-CG2 4.12Å; L7-V9 PolarHBondContact O-N 3.24Å
8Q48.6Very low60.5Low170 Ų170111.5 Ų111.579%0.79464%0.636SS**  trans-59.688.7148.4-75.6-174.1-24.900101.3G6 S10G6-Q8 PolarHBondContact O-N 3.23Å; Q8-S10 PolarHBondContact O-N 3.19Å
9V52.2Low62Low129 Ų129106.3 Ų106.378%0.78261%0.607SS**  trans-66.860.1153.6-171.10000104.1L7 N11L7-V9 HydrophobicContact CB-CG2 4.12Å; L7-V9 PolarHBondContact O-N 3.24Å; V9-N11 PolarHBondContact O-N 3.11Å; V9-N11 VanDerWaalsContact O-N 3.12Å
10S58.5Low63.3Low73 Ų73107.6 Ų107.651%0.5162%0.619SS.*  trans-62.8115.7168.753.30000102.9Q8 P12Q8-S10 PolarHBondContact O-N 3.19Å; S10-P12 WeakPolarHBondContact O-CD 3.28Å
11N66Low64.4Low76 Ų76108.5 Ų108.541%0.40661%0.613SS.*  trans-47.1112.9176.8174.94.1000108.1V9 L13 H14V9-N11 PolarHBondContact O-N 3.11Å; V9-N11 VanDerWaalsContact O-N 3.12Å; N11-L13 PolarHBondContact O-N 3.07Å; N11-L13 WeakPolarHBondContact OD1-CB 3.27Å; N11-L13 WeakPolarHBondContact OD1-CD1 3.4Å; N11-L13 WeakPolarHBondContact OD1-CG 3.4Å; N11-L13 PolarHBondContact OD1-N 3.45Å; N11-H14 PolarHBondContact O-N 3.48Å
12P66.7Low66.9Low58 Ų58100.3 Ų100.338%0.37757%0.574SS.*G310 helixtrans-68.7-9.2-168.331-38.4000111.9S10 H14 V15S10-P12 WeakPolarHBondContact O-CD 3.28Å; P12-H14 PolarHBondContact O-N 2.97Å; P12-V15 WeakPolarHBondContact O-CB 3.47Å; P12-V15 PolarHBondContact O-N 3.43Å
13L76.5Confident69.2Low62 Ų6295 Ų9533%0.32555%0.548SS..G310 helixtrans-62.5-17.5170.2-58.7177.6000114N11 Q108 P110N11-L13 PolarHBondContact O-N 3.07Å; N11-L13 WeakPolarHBondContact OD1-CB 3.27Å; N11-L13 WeakPolarHBondContact OD1-CD1 3.4Å; N11-L13 WeakPolarHBondContact OD1-CG 3.4Å; N11-L13 PolarHBondContact OD1-N 3.45Å; L13-Q108 HydrophobicContact CD2-CB 4.34Å; L13-Q108 HydrophobicContact CD2-CG 4.28Å; L13-P110 HydrophobicContact CD1-CB 3.85Å; L13-P110 HydrophobicContact CD2-CB 4.07Å
14H77.2Confident71.5Confident163 Ų16395.5 Ų95.576%0.75555%0.546SS*.G310 helixtrans-87.6-11.3171.1-66.6-71.8000113.3N11 P12N11-H14 PolarHBondContact O-N 3.48Å; P12-H14 PolarHBondContact O-N 2.97Å
15V84.5Confident73.7Confident56 Ų5699.7 Ų99.734%0.33954%0.543SS..  trans-83.4137.7176.1-175.80000107.8P12 P41 F42P12-V15 WeakPolarHBondContact O-CB 3.47Å; P12-V15 PolarHBondContact O-N 3.43Å; V15-P41 HydrophobicContact CG1-CG 4.19Å; V15-F42 HydrophobicContact CB-CE1 4.21Å; V15-F42 HydrophobicContact CB-CZ 4.05Å; V15-F42 HydrophobicContact CG1-CE1 4.13Å; V15-F42 HydrophobicContact CG1-CZ 3.83Å; V15-F42 WeakPolarHBondContact O-CZ 3.4Å
16Q90.5Very high76Confident109 Ų10994.9 Ų94.951%0.50951%0.508SS..EExtended strand (participates in β ladder)trans-137.7151.6170.460.4-179.3-17.100108T105 V106 Y107Q16-T105 HydrophobicContact CB-CG2 4.04Å; Q16-T105 HydrophobicContact CG-CG2 4.47Å; Q16-V106 WeakPolarHBondContact CA-O 3.21Å; Q16-Y107 HydrophobicContact CB-CD1 3.94Å; Q16-Y107 HydrophobicContact CB-CE1 3.94Å; Q16-Y107 PolarHBondContact OE1-OH 3.47Å
17W92.6Very high78.6Confident25 Ų2594.2 Ų94.210%0.09549%0.489CS..EExtended strand (participates in β ladder)trans-116114.4175-178.569.4000109.8P19 Y34 N37 M39 N40 P41 F42 T105 V106W17-P19 HydrophobicContact CD2-CG 4.41Å; W17-P19 HydrophobicContact CE3-CG 4.26Å; W17-P19 HydrophobicContact CH2-CB 4.15Å; W17-P19 HydrophobicContact CH2-CG 3.68Å; W17-P19 HydrophobicContact CZ2-CB 3.85Å; W17-P19 HydrophobicContact CZ2-CG 3.84Å; W17-P19 HydrophobicContact CZ3-CG 3.91Å; W17-Y34 HydrophobicContact CE3-CE1 4.49Å; W17-Y34 HydrophobicContact CH2-CE2 4.34Å; W17-Y34 HydrophobicContact CZ3-CD1 4.41Å; W17-Y34 AromaticContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE2 4.19Å; W17-Y34 AromaticContact CZ3-CZ 3.6Å; W17-N37 HydrophobicContact CH2-CB 3.72Å; W17-N37 HydrophobicContact CZ2-CB 4.07Å; W17-N37 WeakPolarHBondContact CZ2-ND2 3.19Å; W17-M39 HydrophobicContact CZ2-CB 4.11Å; W17-M39 PolarHBondContact NE1-O 3.48Å; W17-N40 HydrophobicContact CD2-CB 3.8Å; W17-N40 HydrophobicContact CE3-CB 3.84Å; W17-N40 HydrophobicContact CG-CB 4.32Å; W17-N40 HydrophobicContact CH2-CB 4.27Å; W17-N40 HydrophobicContact CZ2-CB 4.23Å; W17-N40 HydrophobicContact CZ3-CB 4.08Å; W17-P41 HydrophobicContact CB-CG 4.33Å; W17-F42 HydrophobicContact CB-CD2 4.37Å; W17-F42 HydrophobicContact CB-CE2 4.11Å; W17-T105 WeakPolarHBondContact O-CA 3.42Å; W17-V106 HydrophobicContact CB-CB 4.29Å; W17-V106 HydrophobicContact CE3-CB 4.2Å; W17-V106 HydrophobicContact CE3-CG2 3.59Å; W17-V106 HydrophobicContact CZ3-CG2 4.11Å; W17-V106 PolarHBondContact N-O 3.33Å; W17-V106 PolarHBondContact O-N 3.12Å
18N91.5Very high80.8Confident107 Ų10788.6 Ų88.657%0.57247%0.467SS*.  trans-126.187.7-177.1-173.922.6000110.1T105N18-T105 HydrophobicContact CB-CG2 3.97Å; N18-T105 VanDerWaalsContact CG-OG1 3.27Å; N18-T105 PolarHBondContact OD1-OG1 2.83Å; N18-T105 VanDerWaalsContact OD1-OG1 3.11Å
19P89.7Confident82.9Confident12 Ų1285.8 Ų85.88%0.07847%0.466CS..  trans-69.6154.317530.2-35.2000111.2W17 W21 Y34W17-P19 HydrophobicContact CD2-CG 4.41Å; W17-P19 HydrophobicContact CE3-CG 4.26Å; W17-P19 HydrophobicContact CH2-CB 4.15Å; W17-P19 HydrophobicContact CH2-CG 3.68Å; W17-P19 HydrophobicContact CZ2-CB 3.85Å; W17-P19 HydrophobicContact CZ2-CG 3.84Å; W17-P19 HydrophobicContact CZ3-CG 3.91Å; P19-W21 HydrophobicContact CB-CD2 4.15Å; P19-W21 HydrophobicContact CB-CE3 4.41Å; P19-W21 HydrophobicContact CB-CG 4.29Å; P19-W21 HydrophobicContact CG-CE3 4.36Å; P19-W21 PolarHBondContact O-N 3.26Å; P19-Y34 VanDerWaalsContact CD-OH 3.25Å; P19-Y34 WeakPolarHBondContact CD-OH 3.31Å; P19-Y34 HydrophobicContact CG-CE2 3.82Å; P19-Y34 WeakPolarHBondContact CG-OH 3.36Å
20P87.3Confident84.8Confident132 Ų13281.7 Ų81.786%0.85744%0.44SS*.SBendtrans-74.218-178.433.5-37.7000113.8
21W86.8Confident86.5Confident128 Ų12878.2 Ų78.249%0.48542%0.416SS..SBendtrans-85152.5-175.5-59.3-17.3000111.2P19 P23 Y34 N37P19-W21 HydrophobicContact CB-CD2 4.15Å; P19-W21 HydrophobicContact CB-CE3 4.41Å; P19-W21 HydrophobicContact CB-CG 4.29Å; P19-W21 HydrophobicContact CG-CE3 4.36Å; P19-W21 PolarHBondContact O-N 3.26Å; W21-P23 VanDerWaalsContact O-CD 3.3Å; W21-P23 WeakPolarHBondContact O-CD 3.4Å; W21-Y34 AromaticContact CE3-CD2 3.74Å; W21-Y34 HydrophobicContact CE3-CD2 3.74Å; W21-Y34 AromaticContact CE3-CE2 3.62Å; W21-Y34 HydrophobicContact CE3-CE2 3.62Å; W21-Y34 AromaticContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CE2 4.1Å; W21-N37 WeakPolarHBondContact CH2-ND2 3.42Å
22N88.5Confident87.8Confident72 Ų7277.1 Ų77.139%0.38541%0.409SS..  trans-68.4121.5179.6-169.9-24.6000110.5N24 W25N22-N24 PolarHBondContact O-N 3.05Å; N22-N24 VanDerWaalsContact O-N 3.17Å; N22-N24 WeakPolarHBondContact OD1-CB 3.45Å; N22-N24 PolarHBondContact OD1-N 2.96Å; N22-W25 HydrophobicContact CB-CD2 4.11Å; N22-W25 HydrophobicContact CB-CE3 4.45Å; N22-W25 HydrophobicContact CB-CG 4.39Å; N22-W25 PolarHBondContact O-N 2.56Å; N22-W25 VanDerWaalsContact O-N 3.15Å
23P86Confident89Confident53 Ų5381.4 Ų81.434%0.34442%0.424SS..G310 helixtrans-58.4-28.3178.4-26.837000114.1W21 W25 I26 G103W21-P23 VanDerWaalsContact O-CD 3.3Å; W21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-W25 PolarHBondContact O-N 3.39Å; P23-W25 VanDerWaalsContact O-N 3.13Å; P23-I26 WeakPolarHBondContact O-CB 3.4Å; P23-I26 PolarHBondContact O-N 2.87Å; P23-G103 WeakPolarHBondContact CG-O 3.43Å
24N87.4Confident89.8Confident141 Ų14179.4 Ų79.475%0.75441%0.412SS*.G310 helixtrans-67.1-12.4-178.9-64.9-12000113.4N22 I26N22-N24 PolarHBondContact O-N 3.05Å; N22-N24 VanDerWaalsContact O-N 3.17Å; N22-N24 WeakPolarHBondContact OD1-CB 3.45Å; N22-N24 PolarHBondContact OD1-N 2.96Å; N24-I26 VanDerWaalsContact C-N 3.3Å
25W89.8Confident90.6Very high178 Ų17871.6 Ų71.667%0.67438%0.376SS*.G310 helixtrans-81.6-13173.9-64.9-14000112.4N22 P23 N30N22-W25 HydrophobicContact CB-CD2 4.11Å; N22-W25 HydrophobicContact CB-CE3 4.45Å; N22-W25 HydrophobicContact CB-CG 4.39Å; N22-W25 PolarHBondContact O-N 2.56Å; N22-W25 VanDerWaalsContact O-N 3.15Å; P23-W25 PolarHBondContact O-N 3.39Å; P23-W25 VanDerWaalsContact O-N 3.13Å; W25-N30 PolarHBondContact O-ND2 2.64Å
26I91.7Very high90.9Very high17 Ų1769.6 Ų69.69%0.08736%0.364CS..  trans-88.5127.3-177.5-53169.5000109.4P23 N24 N30 V31 Y34 F80P23-I26 WeakPolarHBondContact O-CB 3.4Å; P23-I26 PolarHBondContact O-N 2.87Å; N24-I26 VanDerWaalsContact C-N 3.3Å; I26-N30 WeakPolarHBondContact CA-OD1 3.41Å; I26-V31 HydrophobicContact CG2-CB 3.94Å; I26-V31 HydrophobicContact CG2-CG2 3.95Å; I26-Y34 HydrophobicContact CD1-CD1 4.05Å; I26-Y34 HydrophobicContact CD1-CD2 3.86Å; I26-Y34 HydrophobicContact CD1-CE1 3.82Å; I26-Y34 HydrophobicContact CD1-CE2 3.59Å; I26-Y34 HydrophobicContact CD1-CG 4.08Å; I26-Y34 HydrophobicContact CG1-CD2 4Å; I26-Y34 HydrophobicContact CG1-CE2 4.2Å; I26-Y34 HydrophobicContact CG1-CG 4.19Å; I26-F80 HydrophobicContact CG2-CD2 4.27Å; I26-F80 HydrophobicContact CG2-CE2 3.8Å; I26-F80 HydrophobicContact CG2-CZ 4.24Å
27N92.8Very high90.9Very high51 Ų5165.9 Ų65.927%0.27335%0.348SS..  trans-142174179.760.349.3000110.1S29 N30 V31 E77N27-S29 PolarHBondContact O-N 2.94Å; N27-S29 VanDerWaalsContact O-N 3.09Å; N27-S29 PolarHBondContact OD1-N 3.13Å; N27-S29 PolarHBondContact OD1-OG 2.98Å; N27-N30 PolarHBondContact N-OD1 2.82Å; N27-N30 PolarHBondContact ND2-ND2 3.01Å; N27-N30 PolarHBondContact O-N 3.14Å; N27-N30 PolarHBondContact O-OD1 3.33Å; N27-N30 VanDerWaalsContact O-OD1 3.06Å; N27-N30 VanDerWaalsContact OD1-CG 3.26Å; N27-N30 PolarHBondContact OD1-N 3.03Å; N27-N30 PolarHBondContact OD1-OD1 3.21Å; N27-V31 VanDerWaalsContact O-CB 3.23Å; N27-V31 WeakPolarHBondContact O-CB 3.1Å; N27-V31 WeakPolarHBondContact O-CG1 3.37Å; N27-V31 PolarHBondContact O-N 3.11Å; N27-E77 VanDerWaalsContact CA-OE1 3.32Å; N27-E77 WeakPolarHBondContact CA-OE1 3.35Å; N27-E77 WeakPolarHBondContact CB-OE1 3.38Å
28A92.9Very high90.7Very high49 Ų4969.5 Ų69.541%0.40537%0.373SS..THydrogen-bonded Turntrans-59.1-24.6-17700000114.8L72 A75 E77 F80A28-L72 WeakPolarHBondContact O-CD2 3.41Å; A28-A75 HydrophobicContact CB-CB 3.88Å; A28-E77 PolarHBondContact N-OE1 3.42Å; A28-F80 HydrophobicContact CB-CE1 4.41Å
29S92.2Very high90.6Very high111 Ų11170.9 Ų70.978%0.77638%0.378SS*.THydrogen-bonded Turntrans-88.3-27.9-17863.90000113.8N27N27-S29 PolarHBondContact O-N 2.94Å; N27-S29 VanDerWaalsContact O-N 3.09Å; N27-S29 PolarHBondContact OD1-N 3.13Å; N27-S29 PolarHBondContact OD1-OG 2.98Å
30N92.6Very high90.7Very high43 Ų4370.5 Ų70.523%0.2338%0.375CS..THydrogen-bonded Turntrans-108.3-8.4-178.8719.9000114.4W25 I26 N27 L32 E33 Y34W25-N30 PolarHBondContact O-ND2 2.64Å; I26-N30 WeakPolarHBondContact CA-OD1 3.41Å; N27-N30 PolarHBondContact N-OD1 2.82Å; N27-N30 PolarHBondContact ND2-ND2 3.01Å; N27-N30 PolarHBondContact O-N 3.14Å; N27-N30 PolarHBondContact O-OD1 3.33Å; N27-N30 VanDerWaalsContact O-OD1 3.06Å; N27-N30 VanDerWaalsContact OD1-CG 3.26Å; N27-N30 PolarHBondContact OD1-N 3.03Å; N27-N30 PolarHBondContact OD1-OD1 3.21Å; N30-L32 PolarHBondContact O-N 3.16Å; N30-E33 WeakPolarHBondContact O-CB 3.18Å; N30-E33 PolarHBondContact O-N 2.97Å; N30-Y34 PolarHBondContact O-N 3.19Å
31V94.2Very high90.8Very high0 Ų068.3 Ų68.30%036%0.36CS..Hα-helixtrans-58-35.8-176.862.80000112.9I26 N27 Y34 F35 L72 F80 I101I26-V31 HydrophobicContact CG2-CB 3.94Å; I26-V31 HydrophobicContact CG2-CG2 3.95Å; N27-V31 VanDerWaalsContact O-CB 3.23Å; N27-V31 WeakPolarHBondContact O-CB 3.1Å; N27-V31 WeakPolarHBondContact O-CG1 3.37Å; N27-V31 PolarHBondContact O-N 3.11Å; V31-Y34 PolarHBondContact O-N 2.88Å; V31-F35 WeakPolarHBondContact O-CB 2.95Å; V31-F35 PolarHBondContact O-N 3.12Å; V31-L72 HydrophobicContact CG1-CD1 3.74Å; V31-L72 HydrophobicContact CG1-CD2 3.73Å; V31-L72 HydrophobicContact CG1-CG 4.31Å; V31-F80 HydrophobicContact CB-CD1 4.14Å; V31-F80 HydrophobicContact CB-CE1 4.44Å; V31-F80 HydrophobicContact CB-CG 4.23Å; V31-F80 HydrophobicContact CG1-CD1 4.01Å; V31-F80 HydrophobicContact CG1-CE1 4.48Å; V31-F80 HydrophobicContact CG1-CG 4.43Å; V31-F80 HydrophobicContact CG2-CB 3.7Å; V31-F80 HydrophobicContact CG2-CD1 4.05Å; V31-F80 HydrophobicContact CG2-CD2 3.98Å; V31-F80 HydrophobicContact CG2-CG 3.65Å; V31-I101 HydrophobicContact CG2-CD1 3.64Å
32L92.7Very high91.1Very high52 Ų5263 Ų6327%0.27234%0.341SS..Hα-helixtrans-67-42.6176.6-174.464000111N30 F35 T36 I82N30-L32 PolarHBondContact O-N 3.16Å; L32-F35 PolarHBondContact O-N 3.1Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 3.44Å; L32-I82 HydrophobicContact CD1-CD1 4.23Å
33E91.1Very high91.4Very high148 Ų14860.1 Ų60.169%0.69233%0.325SS*.Hα-helixtrans-63.6-44.3175.7-176.4178-173.400111.1N30 F35 T36N30-E33 WeakPolarHBondContact O-CB 3.18Å; N30-E33 PolarHBondContact O-N 2.97Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 3.13Å; E33-T36 WeakPolarHBondContact CA-OG1 3.3Å; E33-T36 PolarHBondContact O-N 3.13Å; E33-T36 VanDerWaalsContact O-N 3.1Å; E33-T36 PolarHBondContact O-OG1 3.34Å
34Y93.4Very high91.7Very high20 Ų2060.2 Ų60.28%0.07832%0.322CS..Hα-helixtrans-56-43.2174169.1-91.1000111.9W17 P19 W21 I26 N30 V31 N37 I101 G104 V106W17-Y34 HydrophobicContact CE3-CE1 4.49Å; W17-Y34 HydrophobicContact CH2-CE2 4.34Å; W17-Y34 HydrophobicContact CZ3-CD1 4.41Å; W17-Y34 AromaticContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE2 4.19Å; W17-Y34 AromaticContact CZ3-CZ 3.6Å; P19-Y34 VanDerWaalsContact CD-OH 3.25Å; P19-Y34 WeakPolarHBondContact CD-OH 3.31Å; P19-Y34 HydrophobicContact CG-CE2 3.82Å; P19-Y34 WeakPolarHBondContact CG-OH 3.36Å; W21-Y34 AromaticContact CE3-CD2 3.74Å; W21-Y34 HydrophobicContact CE3-CD2 3.74Å; W21-Y34 AromaticContact CE3-CE2 3.62Å; W21-Y34 HydrophobicContact CE3-CE2 3.62Å; W21-Y34 AromaticContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CE2 4.1Å; I26-Y34 HydrophobicContact CD1-CD1 4.05Å; I26-Y34 HydrophobicContact CD1-CD2 3.86Å; I26-Y34 HydrophobicContact CD1-CE1 3.82Å; I26-Y34 HydrophobicContact CD1-CE2 3.59Å; I26-Y34 HydrophobicContact CD1-CG 4.08Å; I26-Y34 HydrophobicContact CG1-CD2 4Å; I26-Y34 HydrophobicContact CG1-CE2 4.2Å; I26-Y34 HydrophobicContact CG1-CG 4.19Å; N30-Y34 PolarHBondContact O-N 3.19Å; V31-Y34 PolarHBondContact O-N 2.88Å; Y34-N37 WeakPolarHBondContact O-CB 3.46Å; Y34-N37 PolarHBondContact O-N 2.76Å; Y34-I101 HydrophobicContact CD1-CD1 4.22Å; Y34-I101 HydrophobicContact CD1-CG2 4.49Å; Y34-I101 HydrophobicContact CE1-CD1 4.38Å; Y34-I101 HydrophobicContact CE1-CG2 3.99Å; Y34-G104 PolarHBondContact OH-O 3.37Å; Y34-V106 HydrophobicContact CE1-CG2 3.87Å
35F94.3Very high91.8Very high0 Ų056.9 Ų56.90%031%0.308CS..Hα-helixtrans-68.3-33.3177.3-175.3-87.3000112.8V31 L32 E33 N37 N40 F42 Y43 Y70 I82 Y99 I101 V106V31-F35 WeakPolarHBondContact O-CB 2.95Å; V31-F35 PolarHBondContact O-N 3.12Å; L32-F35 PolarHBondContact O-N 3.1Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 3.13Å; F35-N37 PolarHBondContact O-N 3.15Å; F35-N37 VanDerWaalsContact O-N 3.12Å; F35-N40 WeakPolarHBondContact CD2-ND2 3.3Å; F35-N40 WeakPolarHBondContact CE2-ND2 3.13Å; F35-N40 PolarHBondContact O-ND2 2.71Å; F35-F42 HydrophobicContact CE2-CB 4.39Å; F35-F42 HydrophobicContact CZ-CB 4.01Å; F35-Y43 HydrophobicContact CD1-CD2 4.13Å; F35-Y43 HydrophobicContact CE1-CD2 4.08Å; F35-Y70 HydrophobicContact CD1-CD1 4.13Å; F35-Y70 AromaticContact CE1-CD1 3.32Å; F35-Y70 HydrophobicContact CE1-CD1 3.32Å; F35-Y70 AromaticContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CE1 3.41Å; F35-Y70 VanDerWaalsContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CG 4.06Å; F35-Y70 AromaticContact CZ-CD1 3.98Å; F35-Y70 HydrophobicContact CZ-CD1 3.98Å; F35-Y70 AromaticContact CZ-CE1 3.83Å; F35-Y70 HydrophobicContact CZ-CE1 3.83Å; F35-I82 HydrophobicContact CB-CG1 4.28Å; F35-I82 HydrophobicContact CD1-CG2 4.07Å; F35-I82 HydrophobicContact CD2-CB 4.34Å; F35-I82 HydrophobicContact CD2-CG1 4.09Å; F35-I82 HydrophobicContact CD2-CG2 4.48Å; F35-I82 HydrophobicContact CE1-CG2 4.15Å; F35-I82 HydrophobicContact CE2-CB 4.44Å; F35-I82 HydrophobicContact CE2-CG2 4.5Å; F35-I82 HydrophobicContact CG-CB 4.49Å; F35-I82 HydrophobicContact CG-CG1 4.11Å; F35-I82 HydrophobicContact CG-CG2 4.25Å; F35-I82 HydrophobicContact CZ-CG2 4.35Å; F35-Y99 HydrophobicContact CE2-CD1 4.27Å; F35-Y99 HydrophobicContact CE2-CD2 4.26Å; F35-Y99 AromaticContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CZ-CD1 4.3Å; F35-Y99 AromaticContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CE2 4.31Å; F35-Y99 AromaticContact CZ-CG 3.87Å; F35-Y99 HydrophobicContact CZ-CG 3.87Å; F35-I101 HydrophobicContact CB-CD1 4.15Å; F35-I101 HydrophobicContact CD2-CD1 3.91Å; F35-I101 HydrophobicContact CG-CD1 4.49Å; F35-V106 HydrophobicContact CD2-CG1 3.92Å; F35-V106 HydrophobicContact CD2-CG2 4.43Å; F35-V106 HydrophobicContact CE2-CG1 3.62Å
36T90.9Very high91.9Very high14 Ų1454.1 Ų54.19%0.08631%0.307CS..THydrogen-bonded Turntrans-72.95.2179.965.40000114.6L32 E33 T38 Y43L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 3.44Å; E33-T36 WeakPolarHBondContact CA-OG1 3.3Å; E33-T36 PolarHBondContact O-N 3.13Å; E33-T36 VanDerWaalsContact O-N 3.1Å; E33-T36 PolarHBondContact O-OG1 3.34Å; T36-T38 PolarHBondContact O-N 3.35Å; T36-Y43 HydrophobicContact CG2-CD2 4.27Å; T36-Y43 HydrophobicContact CG2-CE2 3.53Å; T36-Y43 VanDerWaalsContact O-CD1 3.29Å; T36-Y43 WeakPolarHBondContact O-CD1 2.91Å; T36-Y43 WeakPolarHBondContact O-CE1 3.49Å
37N90.6Very high91.9Very high31 Ų3153.4 Ų53.417%0.16630%0.303CS..  trans-60.1129.3175.7-174-15.6000110.5W17 W21 Y34 F35 M39 N40W17-N37 HydrophobicContact CH2-CB 3.72Å; W17-N37 HydrophobicContact CZ2-CB 4.07Å; W17-N37 WeakPolarHBondContact CZ2-ND2 3.19Å; W21-N37 WeakPolarHBondContact CH2-ND2 3.42Å; Y34-N37 WeakPolarHBondContact O-CB 3.46Å; Y34-N37 PolarHBondContact O-N 2.76Å; F35-N37 PolarHBondContact O-N 3.15Å; F35-N37 VanDerWaalsContact O-N 3.12Å; N37-M39 PolarHBondContact O-N 3.11Å; N37-M39 VanDerWaalsContact O-N 3.11Å; N37-M39 WeakPolarHBondContact OD1-CB 3.33Å; N37-M39 PolarHBondContact OD1-N 2.88Å; N37-N40 WeakPolarHBondContact O-CB 3.22Å; N37-N40 PolarHBondContact O-N 2.96Å
38T87.4Confident91.9Very high100 Ų10051.4 Ų51.461%0.61329%0.293SS*.THydrogen-bonded Turntrans-63.5-16.8178.751.30000113.8T36 N40T36-T38 PolarHBondContact O-N 3.35Å; T38-N40 VanDerWaalsContact C-N 3.27Å
39M89.8Confident91.8Very high137 Ų13750.6 Ų50.668%0.67528%0.282SS*.THydrogen-bonded Turntrans-75.8-14.6171.5-63.1-59.2-61.200113.2W17 N37 P41W17-M39 HydrophobicContact CZ2-CB 4.11Å; W17-M39 PolarHBondContact NE1-O 3.48Å; N37-M39 PolarHBondContact O-N 3.11Å; N37-M39 VanDerWaalsContact O-N 3.11Å; N37-M39 WeakPolarHBondContact OD1-CB 3.33Å; N37-M39 PolarHBondContact OD1-N 2.88Å; M39-P41 WeakPolarHBondContact O-CD 3.15Å
40N91.9Very high91.8Very high3 Ų345.6 Ų45.62%0.01625%0.246CC..  trans-77.9113.9176.9179.76.4000109.8W17 F35 N37 T38 F42 Y43W17-N40 HydrophobicContact CD2-CB 3.8Å; W17-N40 HydrophobicContact CE3-CB 3.84Å; W17-N40 HydrophobicContact CG-CB 4.32Å; W17-N40 HydrophobicContact CH2-CB 4.27Å; W17-N40 HydrophobicContact CZ2-CB 4.23Å; W17-N40 HydrophobicContact CZ3-CB 4.08Å; F35-N40 WeakPolarHBondContact CD2-ND2 3.3Å; F35-N40 WeakPolarHBondContact CE2-ND2 3.13Å; F35-N40 PolarHBondContact O-ND2 2.71Å; N37-N40 WeakPolarHBondContact O-CB 3.22Å; N37-N40 PolarHBondContact O-N 2.96Å; T38-N40 VanDerWaalsContact C-N 3.27Å; N40-F42 PolarHBondContact O-N 3.45Å; N40-F42 VanDerWaalsContact O-N 3.14Å; N40-F42 WeakPolarHBondContact OD1-CB 3.29Å; N40-F42 WeakPolarHBondContact OD1-CD2 3.44Å; N40-F42 PolarHBondContact OD1-N 3.03Å; N40-Y43 PolarHBondContact O-N 2.64Å; N40-Y43 VanDerWaalsContact O-N 3.11Å
41P90.8Very high91.7Very high86 Ų8647.9 Ų47.956%0.55826%0.255SS*.THydrogen-bonded Turntrans-64.5-17.7-179.728.4-36.3000113.7V15 W17 M39V15-P41 HydrophobicContact CG1-CG 4.19Å; W17-P41 HydrophobicContact CB-CG 4.33Å; M39-P41 WeakPolarHBondContact O-CD 3.15Å
42F92.5Very high91.6Very high17 Ų1748.9 Ų48.98%0.07526%0.26CS..THydrogen-bonded Turntrans-83.7-14.1178.1-55.3-58000113.6V15 W17 F35 N40 Y70 Y99 V106 Q108V15-F42 HydrophobicContact CB-CE1 4.21Å; V15-F42 HydrophobicContact CB-CZ 4.05Å; V15-F42 HydrophobicContact CG1-CE1 4.13Å; V15-F42 HydrophobicContact CG1-CZ 3.83Å; V15-F42 WeakPolarHBondContact O-CZ 3.4Å; W17-F42 HydrophobicContact CB-CD2 4.37Å; W17-F42 HydrophobicContact CB-CE2 4.11Å; F35-F42 HydrophobicContact CE2-CB 4.39Å; F35-F42 HydrophobicContact CZ-CB 4.01Å; N40-F42 PolarHBondContact O-N 3.45Å; N40-F42 VanDerWaalsContact O-N 3.14Å; N40-F42 WeakPolarHBondContact OD1-CB 3.29Å; N40-F42 WeakPolarHBondContact OD1-CD2 3.44Å; N40-F42 PolarHBondContact OD1-N 3.03Å; F42-Y70 PolarHBondContact O-OH 2.98Å; F42-Y99 HydrophobicContact CB-CD1 3.92Å; F42-Y99 HydrophobicContact CB-CE1 3.49Å; F42-Y99 VanDerWaalsContact CB-CE1 3.49Å; F42-Y99 HydrophobicContact CD1-CD1 4.22Å; F42-Y99 AromaticContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD2-CD1 4.33Å; F42-Y99 HydrophobicContact CD2-CE1 4.45Å; F42-Y99 HydrophobicContact CE1-CE1 4.47Å; F42-Y99 AromaticContact CG-CD1 3.9Å; F42-Y99 HydrophobicContact CG-CD1 3.9Å; F42-Y99 AromaticContact CG-CE1 3.61Å; F42-Y99 HydrophobicContact CG-CE1 3.61Å; F42-V106 HydrophobicContact CD2-CB 4.33Å; F42-V106 HydrophobicContact CD2-CG1 3.68Å; F42-V106 HydrophobicContact CE2-CB 4.42Å; F42-V106 HydrophobicContact CE2-CG1 4.07Å; F42-Q108 HydrophobicContact CE1-CB 4.06Å; F42-Q108 HydrophobicContact CZ-CB 4.45Å
43Y93.5Very high91.3Very high12 Ų1253 Ų535%0.04727%0.272CS..  trans-91.7122.4-178.2-176.3-112.8000110.8F35 T36 N40 P45 C47 E50 Y70F35-Y43 HydrophobicContact CD1-CD2 4.13Å; F35-Y43 HydrophobicContact CE1-CD2 4.08Å; T36-Y43 HydrophobicContact CG2-CD2 4.27Å; T36-Y43 HydrophobicContact CG2-CE2 3.53Å; T36-Y43 VanDerWaalsContact O-CD1 3.29Å; T36-Y43 WeakPolarHBondContact O-CD1 2.91Å; T36-Y43 WeakPolarHBondContact O-CE1 3.49Å; N40-Y43 PolarHBondContact O-N 2.64Å; N40-Y43 VanDerWaalsContact O-N 3.11Å; Y43-P45 WeakPolarHBondContact O-CD 3.34Å; Y43-C47 VanDerWaalsContact CE2-SG 3.56Å; Y43-E50 WeakPolarHBondContact OH-CB 3.46Å; Y43-E50 PolarHBondContact OH-OE2 2.7Å; Y43-Y70 HydrophobicContact CD2-CD2 4.01Å; Y43-Y70 AromaticContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CG 4.48Å; Y43-Y70 AromaticContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CE2 4.18Å
44D92.5Very high91.3Very high55 Ų5552.3 Ų52.329%0.29427%0.271SS..  trans-85.8115.9174.3-174.8-6.5000110.4N46 C47 Y70D44-N46 PolarHBondContact O-N 3.15Å; D44-N46 VanDerWaalsContact O-N 3.15Å; D44-N46 WeakPolarHBondContact OD1-CB 3.32Å; D44-N46 PolarHBondContact OD1-N 3.16Å; D44-N46 PolarHBondContact OD1-ND2 2.87Å; D44-C47 WeakPolarHBondContact O-CB 3.49Å; D44-C47 PolarHBondContact O-N 2.8Å; D44-C47 VanDerWaalsContact O-N 3.13Å; D44-C47 PolarHBondContact O-SG 2.86Å; D44-Y70 HydrophobicContact CB-CE2 4.43Å; D44-Y70 PolarHBondContact N-OH 3.01Å
45P90.6Very high91.2Very high70 Ų7057.4 Ų57.446%0.45530%0.295SS..THydrogen-bonded Turntrans-67-11.6178.129-36.2000113.6Y43 C47 E50Y43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-C47 VanDerWaalsContact C-N 3.34Å; P45-E50 WeakPolarHBondContact O-CB 3.43Å; P45-E50 WeakPolarHBondContact O-CG 3.15Å
46N91.7Very high90.9Very high120 Ų12068.6 Ų68.664%0.64234%0.337SS*.THydrogen-bonded Turntrans-91.42.5176.5-53.3-68.4000112.9D44D44-N46 PolarHBondContact O-N 3.15Å; D44-N46 VanDerWaalsContact O-N 3.15Å; D44-N46 WeakPolarHBondContact OD1-CB 3.32Å; D44-N46 PolarHBondContact OD1-N 3.16Å; D44-N46 PolarHBondContact OD1-ND2 2.87Å
47C92.2Very high90.9Very high2 Ų271.3 Ų71.31%0.01435%0.351CS..SBendtrans-68.7160.8-178.974.50000112.9Y43 D44 P45 N49 E50 Q51 V68 Y70Y43-C47 VanDerWaalsContact CE2-SG 3.56Å; D44-C47 WeakPolarHBondContact O-CB 3.49Å; D44-C47 PolarHBondContact O-N 2.8Å; D44-C47 VanDerWaalsContact O-N 3.13Å; D44-C47 PolarHBondContact O-SG 2.86Å; P45-C47 VanDerWaalsContact C-N 3.34Å; C47-N49 VanDerWaalsContact C-N 3.29Å; C47-N49 PolarHBondContact O-N 2.79Å; C47-E50 WeakPolarHBondContact O-CB 3.34Å; C47-E50 PolarHBondContact O-N 3.4Å; C47-E50 VanDerWaalsContact O-N 3.13Å; C47-Q51 PolarHBondContact O-N 3.24Å; C47-Q51 VanDerWaalsContact O-N 3.12Å; C47-V68 HydrophobicContact CB-CG1 4.47Å; C47-V68 WeakPolarHBondContact CB-O 3.4Å; C47-Y70 HydrophobicContact CB-CD2 4.06Å; C47-Y70 HydrophobicContact CB-CE2 3.89Å
48L92.1Very high90.8Very high10 Ų1072.7 Ų72.75%0.05236%0.363CS..Hα-helixtrans-63.9-33.8-176.6-17358.9000112.5E50 Q51 I52 L62 A65 V68 E69L48-E50 VanDerWaalsContact C-N 3.31Å; L48-E50 PolarHBondContact O-N 2.88Å; L48-Q51 PolarHBondContact O-N 2.6Å; L48-I52 HydrophobicContact CD1-CD1 4.49Å; L48-I52 HydrophobicContact CG-CD1 4.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 2.86Å; L48-L62 HydrophobicContact CB-CD2 4.45Å; L48-L62 HydrophobicContact CD2-CD2 3.29Å; L48-L62 HydrophobicContact CG-CD2 3.5Å; L48-L62 VanDerWaalsContact CG-CD2 3.5Å; L48-A65 HydrophobicContact CD1-CB 3.83Å; L48-A65 HydrophobicContact CD2-CB 3.91Å; L48-V68 VanDerWaalsContact CB-O 3.3Å; L48-V68 WeakPolarHBondContact CB-O 3.44Å; L48-V68 PolarHBondContact N-O 3.23Å; L48-E69 HydrophobicContact CB-CB 4.42Å
49N91.1Very high90.4Very high32 Ų3272.5 Ų72.517%0.17136%0.363CS..Hα-helixtrans-58.7-44.8173.9-61.370.1000111.2C47 I52 R53 E69 Y70C47-N49 VanDerWaalsContact C-N 3.29Å; C47-N49 PolarHBondContact O-N 2.79Å; N49-I52 PolarHBondContact O-N 2.81Å; N49-R53 VanDerWaalsContact O-CB 3.3Å; N49-R53 WeakPolarHBondContact O-CB 3.46Å; N49-R53 PolarHBondContact O-N 3.06Å; N49-E69 WeakPolarHBondContact OD1-CA 3.49Å; N49-E69 WeakPolarHBondContact OD1-CB 3.23Å; N49-Y70 PolarHBondContact ND2-O 2.69Å; N49-Y70 PolarHBondContact OD1-N 2.74Å
50E92Very high90.2Very high5 Ų573 Ų732%0.02336%0.364CS..Hα-helixtrans-67.1-41.5-179.9-166.854.6-14900111.1Y43 P45 C47 L48 I52 R53 M54Y43-E50 WeakPolarHBondContact OH-CB 3.46Å; Y43-E50 PolarHBondContact OH-OE2 2.7Å; P45-E50 WeakPolarHBondContact O-CB 3.43Å; P45-E50 WeakPolarHBondContact O-CG 3.15Å; C47-E50 WeakPolarHBondContact O-CB 3.34Å; C47-E50 PolarHBondContact O-N 3.4Å; C47-E50 VanDerWaalsContact O-N 3.13Å; L48-E50 VanDerWaalsContact C-N 3.31Å; L48-E50 PolarHBondContact O-N 2.88Å; E50-I52 PolarHBondContact O-N 3.11Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-R53 IonicContact OE1-CZ 2.73Å; E50-R53 IonicContact OE1-NE 3.93Å; E50-R53 PolarHBondContact OE1-NE 3.17Å; E50-R53 IonicContact OE1-NH2 3.67Å; E50-R53 PolarHBondContact OE1-NH2 2.71Å; E50-R53 IonicContact OE2-CZ 3.1Å; E50-R53 VanDerWaalsContact OE2-CZ 3.29Å; E50-R53 IonicContact OE2-NE 3.39Å; E50-R53 PolarHBondContact OE2-NE 3.14Å; E50-R53 IonicContact OE2-NH2 2.56Å; E50-R53 PolarHBondContact OE2-NH2 2.92Å; E50-M54 HydrophobicContact CG-CE 3.8Å; E50-M54 HydrophobicContact CG-CG 4.44Å; E50-M54 HydrophobicContact CG-SD 4.43Å; E50-M54 WeakPolarHBondContact O-CB 3.19Å; E50-M54 VanDerWaalsContact O-CG 3.31Å; E50-M54 WeakPolarHBondContact O-CG 3.38Å; E50-M54 PolarHBondContact O-N 2.88Å; E50-M54 WeakPolarHBondContact OE1-CE 3.46Å
51Q91.3Very high89.9Confident92 Ų9275.1 Ų75.143%0.4338%0.377SS..Hα-helixtrans-60.3-46.7175.7-68177.7-12.200112.2C47 L48 R53 M54 Q55C47-Q51 PolarHBondContact O-N 3.24Å; C47-Q51 VanDerWaalsContact O-N 3.12Å; L48-Q51 PolarHBondContact O-N 2.6Å; Q51-R53 VanDerWaalsContact C-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.2Å; Q51-M54 PolarHBondContact O-N 2.74Å; Q51-Q55 VanDerWaalsContact O-CB 3.27Å; Q51-Q55 WeakPolarHBondContact O-CB 3.07Å; Q51-Q55 VanDerWaalsContact O-CG 3.28Å; Q51-Q55 WeakPolarHBondContact O-CG 3.46Å; Q51-Q55 PolarHBondContact O-N 3.12Å
52I90.1Very high89.5Confident21 Ų2172.8 Ų72.811%0.10836%0.36CS..Hα-helixtrans-63.6-40.8177.7-71174.9000110.8L48 N49 E50 R56 L57 L62L48-I52 HydrophobicContact CD1-CD1 4.49Å; L48-I52 HydrophobicContact CG-CD1 4.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 2.86Å; N49-I52 PolarHBondContact O-N 2.81Å; E50-I52 PolarHBondContact O-N 3.11Å; I52-R56 WeakPolarHBondContact O-CA 3.15Å; I52-R56 PolarHBondContact O-N 3.1Å; I52-L57 HydrophobicContact CG1-CB 4.49Å; I52-L57 HydrophobicContact CG2-CB 4.18Å; I52-L57 WeakPolarHBondContact CG2-O 3.46Å; I52-L57 PolarHBondContact O-N 3.35Å; I52-L62 HydrophobicContact CD1-CD1 4.35Å; I52-L62 HydrophobicContact CD1-CD2 3.23Å; I52-L62 HydrophobicContact CD1-CG 3.46Å; I52-L62 VanDerWaalsContact CD1-CG 3.46Å
53R87.8Confident88.9Confident139 Ų13974.4 Ų74.453%0.52537%0.373SS..Hα-helixtrans-63.5-47.6177.5-171.7174.672.787.5-14.4111.9N49 E50 Q51 R56N49-R53 VanDerWaalsContact O-CB 3.3Å; N49-R53 WeakPolarHBondContact O-CB 3.46Å; N49-R53 PolarHBondContact O-N 3.06Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-R53 IonicContact OE1-CZ 2.73Å; E50-R53 IonicContact OE1-NE 3.93Å; E50-R53 PolarHBondContact OE1-NE 3.17Å; E50-R53 IonicContact OE1-NH2 3.67Å; E50-R53 PolarHBondContact OE1-NH2 2.71Å; E50-R53 IonicContact OE2-CZ 3.1Å; E50-R53 VanDerWaalsContact OE2-CZ 3.29Å; E50-R53 IonicContact OE2-NE 3.39Å; E50-R53 PolarHBondContact OE2-NE 3.14Å; E50-R53 IonicContact OE2-NH2 2.56Å; E50-R53 PolarHBondContact OE2-NH2 2.92Å; Q51-R53 VanDerWaalsContact C-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.2Å; R53-R56 PolarHBondContact O-N 3.27Å
54M90.2Very high88.4Confident133 Ų13384.3 Ų84.366%0.65541%0.41SS*.Hα-helixtrans-66.9-41.6179.2-72-169.717900112.2E50 Q51 R56E50-M54 HydrophobicContact CG-CE 3.8Å; E50-M54 HydrophobicContact CG-CG 4.44Å; E50-M54 HydrophobicContact CG-SD 4.43Å; E50-M54 WeakPolarHBondContact O-CB 3.19Å; E50-M54 VanDerWaalsContact O-CG 3.31Å; E50-M54 WeakPolarHBondContact O-CG 3.38Å; E50-M54 PolarHBondContact O-N 2.88Å; E50-M54 WeakPolarHBondContact OE1-CE 3.46Å; Q51-M54 PolarHBondContact O-N 2.74Å; M54-R56 VanDerWaalsContact C-N 3.28Å; M54-R56 PolarHBondContact O-N 2.96Å
55Q91Very high88.1Confident126 Ų12682.8 Ų82.859%0.58941%0.406SS*.Hα-helixtrans-83.7-2.7-179.1-63.2177.916.900113.3Q51 L57Q51-Q55 VanDerWaalsContact O-CB 3.27Å; Q51-Q55 WeakPolarHBondContact O-CB 3.07Å; Q51-Q55 VanDerWaalsContact O-CG 3.28Å; Q51-Q55 WeakPolarHBondContact O-CG 3.46Å; Q51-Q55 PolarHBondContact O-N 3.12Å; Q55-L57 HydrophobicContact CB-CD1 3.95Å; Q55-L57 HydrophobicContact CB-CG 3.73Å; Q55-L57 PolarHBondContact O-N 3Å
56R89.6Confident88.1Confident235 Ų23582.8 Ų82.889%0.88741%0.407SS*.THydrogen-bonded Turntrans52.238.2-176.8-55.6-178.3177.4-171.6-1.7112.5I52 R53 M54I52-R56 WeakPolarHBondContact O-CA 3.15Å; I52-R56 PolarHBondContact O-N 3.1Å; R53-R56 PolarHBondContact O-N 3.27Å; M54-R56 VanDerWaalsContact C-N 3.28Å; M54-R56 PolarHBondContact O-N 2.96Å
57L89.7Confident88.2Confident72 Ų7277.7 Ų77.738%0.37738%0.383SS..  trans-80.5158.5179.3-68.7176.7000111.1I52 Q55 V61I52-L57 HydrophobicContact CG1-CB 4.49Å; I52-L57 HydrophobicContact CG2-CB 4.18Å; I52-L57 WeakPolarHBondContact CG2-O 3.46Å; I52-L57 PolarHBondContact O-N 3.35Å; Q55-L57 HydrophobicContact CB-CD1 3.95Å; Q55-L57 HydrophobicContact CB-CG 3.73Å; Q55-L57 PolarHBondContact O-N 3Å; L57-V61 HydrophobicContact CB-CG2 4.14Å; L57-V61 HydrophobicContact CD1-CG1 4.27Å; L57-V61 HydrophobicContact CD1-CG2 4.4Å
58S88.1Confident88.3Confident60 Ų6079 Ų7942%0.4239%0.391SS..  trans-70.8147.3170.867.10000110.4E60 V61S58-E60 PolarHBondContact O-N 2.95Å; S58-E60 VanDerWaalsContact O-N 3.1Å; S58-V61 WeakPolarHBondContact O-CB 3.39Å; S58-V61 WeakPolarHBondContact O-CG2 3.43Å; S58-V61 PolarHBondContact O-N 3.47Å; S58-V61 VanDerWaalsContact O-N 3.11Å
59P80.7Confident88.3Confident95 Ų9578.8 Ų78.862%0.61739%0.389SS*.G310 helixtrans-63.7-15.6177.426.6-35000112.7V61 L62P59-V61 PolarHBondContact O-N 2.85Å; P59-L62 WeakPolarHBondContact O-CB 3.42Å; P59-L62 VanDerWaalsContact O-CG 3.22Å; P59-L62 WeakPolarHBondContact O-CG 3.44Å; P59-L62 PolarHBondContact O-N 3.3Å; P59-L62 VanDerWaalsContact O-N 3.11Å
60E85.3Confident88.5Confident147 Ų14777.4 Ų77.469%0.68738%0.382SS*.G310 helixtrans-62.5-23.8174.1-64.1-177171.800113S58 L62 S63S58-E60 PolarHBondContact O-N 2.95Å; S58-E60 VanDerWaalsContact O-N 3.1Å; E60-L62 PolarHBondContact O-N 3Å; E60-S63 WeakPolarHBondContact O-CB 3.14Å; E60-S63 PolarHBondContact O-N 2.69Å; E60-S63 PolarHBondContact O-OG 3.36Å
61V85.2Confident88.6Confident49 Ų4978.5 Ų78.530%0.29739%0.392SS..G310 helixtrans-60.8-26.9175.6179.60000111.3L57 S58 P59 S63 R64 A65L57-V61 HydrophobicContact CB-CG2 4.14Å; L57-V61 HydrophobicContact CD1-CG1 4.27Å; L57-V61 HydrophobicContact CD1-CG2 4.4Å; S58-V61 WeakPolarHBondContact O-CB 3.39Å; S58-V61 WeakPolarHBondContact O-CG2 3.43Å; S58-V61 PolarHBondContact O-N 3.47Å; S58-V61 VanDerWaalsContact O-N 3.11Å; P59-V61 PolarHBondContact O-N 2.85Å; V61-S63 PolarHBondContact O-N 3.02Å; V61-S63 VanDerWaalsContact O-N 3.16Å; V61-R64 PolarHBondContact O-N 3.2Å; V61-A65 PolarHBondContact O-N 2.84Å; V61-A65 VanDerWaalsContact O-N 3.13Å
62L81.4Confident88.8Confident37 Ų3777.1 Ų77.119%0.19439%0.387CS..G310 helixtrans-53.6-35.5172.7-66.3174.8000112L48 I52 P59 E60 R64 A65 R87L48-L62 HydrophobicContact CB-CD2 4.45Å; L48-L62 HydrophobicContact CD2-CD2 3.29Å; L48-L62 HydrophobicContact CG-CD2 3.5Å; L48-L62 VanDerWaalsContact CG-CD2 3.5Å; I52-L62 HydrophobicContact CD1-CD1 4.35Å; I52-L62 HydrophobicContact CD1-CD2 3.23Å; I52-L62 HydrophobicContact CD1-CG 3.46Å; I52-L62 VanDerWaalsContact CD1-CG 3.46Å; P59-L62 WeakPolarHBondContact O-CB 3.42Å; P59-L62 VanDerWaalsContact O-CG 3.22Å; P59-L62 WeakPolarHBondContact O-CG 3.44Å; P59-L62 PolarHBondContact O-N 3.3Å; P59-L62 VanDerWaalsContact O-N 3.11Å; E60-L62 PolarHBondContact O-N 3Å; L62-R64 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact O-N 3.14Å; L62-A65 PolarHBondContact O-N 3.46Å; L62-R87 WeakPolarHBondContact O-CD 3.32Å
63S81.2Confident89Confident50 Ų5080.2 Ų80.235%0.3540%0.403SS..G310 helixtrans-64.4-19.9-17968.60000114.3E60 V61E60-S63 WeakPolarHBondContact O-CB 3.14Å; E60-S63 PolarHBondContact O-N 2.69Å; E60-S63 PolarHBondContact O-OG 3.36Å; V61-S63 PolarHBondContact O-N 3.02Å; V61-S63 VanDerWaalsContact O-N 3.16Å
64R83.3Confident89.4Confident220 Ų22078.5 Ų78.583%0.8340%0.4SS*.THydrogen-bonded Turntrans-111.9-15.6-175.8-56.8-178.8-170.1176.73112.9V61 L62V61-R64 PolarHBondContact O-N 3.2Å; L62-R64 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact O-N 3.14Å
65A85.9Confident89.6Confident24 Ų2474.3 Ų74.320%0.19839%0.386CS..  trans-94.1155.3-178.600000111.4L48 V61 L62 R87L48-A65 HydrophobicContact CD1-CB 3.83Å; L48-A65 HydrophobicContact CD2-CB 3.91Å; V61-A65 PolarHBondContact O-N 2.84Å; V61-A65 VanDerWaalsContact O-N 3.13Å; L62-A65 PolarHBondContact O-N 3.46Å; A65-R87 WeakPolarHBondContact O-CD 3.33Å
66S90.9Very high89.7Confident70 Ų7071.7 Ų71.749%0.4938%0.381SS..  trans-122.1138.917259.90000109.7R87S66-R87 CarbonylContact C-O 3.57Å; S66-R87 WeakPolarHBondContact CA-O 3.43Å; S66-R87 WeakPolarHBondContact CB-O 3.34Å
67G92.5Very high89.7Confident13 Ų1366.4 Ų66.413%0.13437%0.366CS..EExtended strand (participates in β ladder)trans157.4-174.6-179.500000112.8Y86 R87G67-Y86 WeakPolarHBondContact O-CA 3.34Å; G67-R87 PolarHBondContact N-O 3.25Å; G67-R87 PolarHBondContact O-N 2.81Å
68V94.5Very high89.7Confident28 Ų2867.5 Ų67.517%0.1738%0.378CS..EExtended strand (participates in β ladder)trans-78.6131.3176.1178.20000109.5C47 L48 Y70 K84 Q85 Y86 M96C47-V68 HydrophobicContact CB-CG1 4.47Å; C47-V68 WeakPolarHBondContact CB-O 3.4Å; L48-V68 VanDerWaalsContact CB-O 3.3Å; L48-V68 WeakPolarHBondContact CB-O 3.44Å; L48-V68 PolarHBondContact N-O 3.23Å; V68-Y70 HydrophobicContact CG1-CE2 4.38Å; V68-K84 HydrophobicContact CG1-CD 4.37Å; V68-K84 HydrophobicContact CG1-CG 3.75Å; V68-Q85 WeakPolarHBondContact CA-O 3.39Å; V68-Y86 HydrophobicContact CG2-CD2 3.96Å; V68-M96 HydrophobicContact CG2-SD 4.17Å
69E93.5Very high90Very high6 Ų667.3 Ų67.33%0.02837%0.372CS..EExtended strand (participates in β ladder)trans-132.7157.2172.967.8-179.3-161.600110.8L48 N49 K84 Q85 R87L48-E69 HydrophobicContact CB-CB 4.42Å; N49-E69 WeakPolarHBondContact OD1-CA 3.49Å; N49-E69 WeakPolarHBondContact OD1-CB 3.23Å; E69-K84 WeakPolarHBondContact O-CA 3.25Å; E69-Q85 HydrophobicContact CG-CG 3.46Å; E69-Q85 VanDerWaalsContact CG-CG 3.46Å; E69-Q85 PolarHBondContact N-O 3.2Å; E69-Q85 PolarHBondContact O-N 2.91Å; E69-Q85 PolarHBondContact OE1-NE2 2.76Å; E69-R87 IonicContact OE1-CZ 3.4Å; E69-R87 IonicContact OE1-NE 2.87Å; E69-R87 PolarHBondContact OE1-NE 2.9Å; E69-R87 IonicContact OE1-NH2 3.41Å; E69-R87 PolarHBondContact OE1-NH2 3.13Å; E69-R87 IonicContact OE2-CZ 2.79Å; E69-R87 IonicContact OE2-NE 3.29Å; E69-R87 PolarHBondContact OE2-NE 3.15Å; E69-R87 IonicContact OE2-NH2 2.88Å; E69-R87 PolarHBondContact OE2-NH2 3.17Å; E69-R87 VanDerWaalsContact OE2-NH2 3.17Å
70Y95.5Very high90.7Very high4 Ų463.1 Ų63.12%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-112.2130.5172.5-67.6-94.8000109F35 F42 Y43 D44 C47 N49 V68 I82 R83 K84 Y99F35-Y70 HydrophobicContact CD1-CD1 4.13Å; F35-Y70 AromaticContact CE1-CD1 3.32Å; F35-Y70 HydrophobicContact CE1-CD1 3.32Å; F35-Y70 AromaticContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CE1 3.41Å; F35-Y70 VanDerWaalsContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CG 4.06Å; F35-Y70 AromaticContact CZ-CD1 3.98Å; F35-Y70 HydrophobicContact CZ-CD1 3.98Å; F35-Y70 AromaticContact CZ-CE1 3.83Å; F35-Y70 HydrophobicContact CZ-CE1 3.83Å; F42-Y70 PolarHBondContact O-OH 2.98Å; Y43-Y70 HydrophobicContact CD2-CD2 4.01Å; Y43-Y70 AromaticContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CG 4.48Å; Y43-Y70 AromaticContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CE2 4.18Å; D44-Y70 HydrophobicContact CB-CE2 4.43Å; D44-Y70 PolarHBondContact N-OH 3.01Å; C47-Y70 HydrophobicContact CB-CD2 4.06Å; C47-Y70 HydrophobicContact CB-CE2 3.89Å; N49-Y70 PolarHBondContact ND2-O 2.69Å; N49-Y70 PolarHBondContact OD1-N 2.74Å; V68-Y70 HydrophobicContact CG1-CE2 4.38Å; Y70-I82 HydrophobicContact CD1-CG2 4.04Å; Y70-R83 WeakPolarHBondContact CA-O 3.05Å; Y70-K84 HydrophobicContact CD1-CB 3.92Å; Y70-K84 HydrophobicContact CD1-CG 4.36Å; Y70-K84 HydrophobicContact CE1-CB 3.68Å; Y70-K84 HydrophobicContact CE1-CD 4.06Å; Y70-K84 HydrophobicContact CE1-CG 3.86Å; Y70-K84 HydrophobicContact CE2-CG 4.49Å; Y70-Y99 HydrophobicContact CE1-CE2 4.05Å
71A93.8Very high91.3Very high28 Ų2856.8 Ų56.823%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-132.3145-179.900000110.7L73 I82 R83A71-L73 PolarHBondContact O-N 2.78Å; A71-I82 CarbonylContact O-C 3.59Å; A71-I82 WeakPolarHBondContact O-CA 3.45Å; A71-R83 PolarHBondContact N-O 3.06Å; A71-R83 PolarHBondContact O-N 3.48Å
72L95.5Very high91.8Very high62 Ų6254.4 Ų54.433%0.32530%0.301SS..EExtended strand (participates in β ladder)trans-74.5112.1169.9178.462.9000109A28 V31 F74 A75 F80 I82A28-L72 WeakPolarHBondContact O-CD2 3.41Å; V31-L72 HydrophobicContact CG1-CD1 3.74Å; V31-L72 HydrophobicContact CG1-CD2 3.73Å; V31-L72 HydrophobicContact CG1-CG 4.31Å; L72-F74 WeakPolarHBondContact CD1-O 3.35Å; L72-A75 HydrophobicContact CD1-CB 4.34Å; L72-A75 HydrophobicContact CD2-CB 4.17Å; L72-F80 HydrophobicContact CD1-CB 4.33Å; L72-I82 HydrophobicContact CB-CD1 4.07Å; L72-I82 HydrophobicContact CD1-CD1 3.67Å; L72-I82 HydrophobicContact CG-CD1 4.49Å
73L94.2Very high92.5Very high87 Ų8755.6 Ų55.646%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-86.5-41.3-179.6-17572.4000111.7A71 V81 R83A71-L73 PolarHBondContact O-N 2.78Å; L73-V81 HydrophobicContact CB-CB 4.4Å; L73-V81 HydrophobicContact CB-CG1 4.32Å; L73-V81 HydrophobicContact CD2-CG1 4.12Å; L73-V81 PolarHBondContact N-O 2.91Å; L73-R83 HydrophobicContact CB-CB 4.22Å; L73-R83 VanDerWaalsContact CD2-CZ 3.4Å; L73-R83 VanDerWaalsContact CD2-NH2 3.29Å
74F95Very high93.2Very high103 Ų10354.8 Ų54.845%0.45229%0.293SS..EExtended strand (participates in β ladder)trans-148.4140-176.2-179.3-99.5000110.6L72 C76 L79 F80 V81L72-F74 WeakPolarHBondContact CD1-O 3.35Å; F74-C76 HydrophobicContact CD1-CB 4.28Å; F74-C76 HydrophobicContact CE1-CB 3.32Å; F74-C76 HydrophobicContact CZ-CB 3.49Å; F74-C76 VanDerWaalsContact CZ-CB 3.49Å; F74-L79 HydrophobicContact CE1-CD2 4.45Å; F74-F80 CarbonylContact O-C 3.51Å; F74-F80 WeakPolarHBondContact O-CA 3.32Å; F74-V81 HydrophobicContact CB-CB 3.98Å; F74-V81 HydrophobicContact CB-CG2 3.89Å; F74-V81 HydrophobicContact CD1-CG2 4.11Å; F74-V81 HydrophobicContact CG-CG2 4.46Å; F74-V81 PolarHBondContact N-O 2.94Å; F74-V81 PolarHBondContact O-N 2.94Å
75A94.2Very high93.7Very high44 Ų4445.3 Ų45.336%0.36426%0.258SS..EExtended strand (participates in β ladder)trans-136117.9176.800000109.7A28 L72 F80A28-A75 HydrophobicContact CB-CB 3.88Å; L72-A75 HydrophobicContact CD1-CB 4.34Å; L72-A75 HydrophobicContact CD2-CB 4.17Å; A75-F80 HydrophobicContact CB-CD1 3.72Å; A75-F80 HydrophobicContact CB-CE1 4.1Å
76C94.2Very high94.2Very high71 Ų7148.9 Ų48.948%0.4827%0.267SS..EExtended strand (participates in β ladder)trans-14990.9173.9-1780000107.6F74 L79F74-C76 HydrophobicContact CD1-CB 4.28Å; F74-C76 HydrophobicContact CE1-CB 3.32Å; F74-C76 HydrophobicContact CZ-CB 3.49Å; F74-C76 VanDerWaalsContact CZ-CB 3.49Å; C76-L79 CarbonylContact C-O 3.56Å; C76-L79 VanDerWaalsContact C-O 3.25Å; C76-L79 PolarHBondContact N-O 3.31Å; C76-L79 CarbonylContact O-C 3.2Å; C76-L79 WeakPolarHBondContact O-CA 3.3Å; C76-L79 WeakPolarHBondContact O-CB 3.33Å; C76-L79 PolarHBondContact O-N 2.82Å
77E89.4Confident94.2Very high124 Ų12447.4 Ų47.458%0.57925%0.251SS*.THydrogen-bonded Turntrans-52.2126.9-173.4-47.7-169.6169.400110.6N27 A28 F80N27-E77 VanDerWaalsContact CA-OE1 3.32Å; N27-E77 WeakPolarHBondContact CA-OE1 3.35Å; N27-E77 WeakPolarHBondContact CB-OE1 3.38Å; A28-E77 PolarHBondContact N-OE1 3.42Å; E77-F80 HydrophobicContact CB-CZ 4.32Å; E77-F80 HydrophobicContact CG-CE1 3.97Å; E77-F80 HydrophobicContact CG-CZ 3.67Å
78P89.4Confident94.1Very high95 Ų9550.4 Ų50.462%0.61726%0.261SS*.THydrogen-bonded Turncis-95.512.814.938.5-37.6000116
79L94.4Very high93.4Very high57 Ų5752.9 Ų52.930%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-102129.9-179.3171.965.9000111.9F74 C76 Y100 I101 I102F74-L79 HydrophobicContact CE1-CD2 4.45Å; C76-L79 CarbonylContact C-O 3.56Å; C76-L79 VanDerWaalsContact C-O 3.25Å; C76-L79 PolarHBondContact N-O 3.31Å; C76-L79 CarbonylContact O-C 3.2Å; C76-L79 WeakPolarHBondContact O-CA 3.3Å; C76-L79 WeakPolarHBondContact O-CB 3.33Å; C76-L79 PolarHBondContact O-N 2.82Å; L79-Y100 HydrophobicContact CD1-CD1 4.25Å; L79-I101 WeakPolarHBondContact CA-O 3.45Å; L79-I102 HydrophobicContact CD1-CD1 3.7Å; L79-I102 HydrophobicContact CD1-CG1 3.41Å; L79-I102 VanDerWaalsContact CD1-CG1 3.41Å
80F96.2Very high92.9Very high6 Ų657.4 Ų57.43%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-129.5148.9170.4-49-92.1000110.8I26 A28 V31 L72 F74 A75 E77 Y100 I101I26-F80 HydrophobicContact CG2-CD2 4.27Å; I26-F80 HydrophobicContact CG2-CE2 3.8Å; I26-F80 HydrophobicContact CG2-CZ 4.24Å; A28-F80 HydrophobicContact CB-CE1 4.41Å; V31-F80 HydrophobicContact CB-CD1 4.14Å; V31-F80 HydrophobicContact CB-CE1 4.44Å; V31-F80 HydrophobicContact CB-CG 4.23Å; V31-F80 HydrophobicContact CG1-CD1 4.01Å; V31-F80 HydrophobicContact CG1-CE1 4.48Å; V31-F80 HydrophobicContact CG1-CG 4.43Å; V31-F80 HydrophobicContact CG2-CB 3.7Å; V31-F80 HydrophobicContact CG2-CD1 4.05Å; V31-F80 HydrophobicContact CG2-CD2 3.98Å; V31-F80 HydrophobicContact CG2-CG 3.65Å; L72-F80 HydrophobicContact CD1-CB 4.33Å; F74-F80 CarbonylContact O-C 3.51Å; F74-F80 WeakPolarHBondContact O-CA 3.32Å; A75-F80 HydrophobicContact CB-CD1 3.72Å; A75-F80 HydrophobicContact CB-CE1 4.1Å; E77-F80 HydrophobicContact CB-CZ 4.32Å; E77-F80 HydrophobicContact CG-CE1 3.97Å; E77-F80 HydrophobicContact CG-CZ 3.67Å; F80-Y100 WeakPolarHBondContact O-CA 3.35Å; F80-I101 HydrophobicContact CB-CB 4.2Å; F80-I101 HydrophobicContact CD2-CB 4.38Å; F80-I101 PolarHBondContact N-O 2.96Å; F80-I101 PolarHBondContact O-N 2.84Å
81V96.5Very high92.2Very high14 Ų1463.1 Ų63.19%0.08534%0.336CS..EExtended strand (participates in β ladder)trans-122.3114.6177.7-170.80000108.8L73 F74 D98 Y99 Y100L73-V81 HydrophobicContact CB-CB 4.4Å; L73-V81 HydrophobicContact CB-CG1 4.32Å; L73-V81 HydrophobicContact CD2-CG1 4.12Å; L73-V81 PolarHBondContact N-O 2.91Å; F74-V81 HydrophobicContact CB-CB 3.98Å; F74-V81 HydrophobicContact CB-CG2 3.89Å; F74-V81 HydrophobicContact CD1-CG2 4.11Å; F74-V81 HydrophobicContact CG-CG2 4.46Å; F74-V81 PolarHBondContact N-O 2.94Å; F74-V81 PolarHBondContact O-N 2.94Å; V81-D98 HydrophobicContact CG1-CB 4.49Å; V81-Y99 CarbonylContact C-O 3.59Å; V81-Y99 WeakPolarHBondContact CA-O 3.38Å; V81-Y100 HydrophobicContact CG1-CD1 4.37Å; V81-Y100 HydrophobicContact CG1-CE1 4.2Å; V81-Y100 HydrophobicContact CG2-CD1 3.9Å; V81-Y100 HydrophobicContact CG2-CE1 3.99Å
82I96.6Very high92.1Very high0 Ų064.7 Ų64.70%034%0.343CS..EExtended strand (participates in β ladder)trans-99.1131.9171.5-57.3-58.5000108.1L32 F35 Y70 A71 L72 D98 Y99 I101L32-I82 HydrophobicContact CD1-CD1 4.23Å; F35-I82 HydrophobicContact CB-CG1 4.28Å; F35-I82 HydrophobicContact CD1-CG2 4.07Å; F35-I82 HydrophobicContact CD2-CB 4.34Å; F35-I82 HydrophobicContact CD2-CG1 4.09Å; F35-I82 HydrophobicContact CD2-CG2 4.48Å; F35-I82 HydrophobicContact CE1-CG2 4.15Å; F35-I82 HydrophobicContact CE2-CB 4.44Å; F35-I82 HydrophobicContact CE2-CG2 4.5Å; F35-I82 HydrophobicContact CG-CB 4.49Å; F35-I82 HydrophobicContact CG-CG1 4.11Å; F35-I82 HydrophobicContact CG-CG2 4.25Å; F35-I82 HydrophobicContact CZ-CG2 4.35Å; Y70-I82 HydrophobicContact CD1-CG2 4.04Å; A71-I82 CarbonylContact O-C 3.59Å; A71-I82 WeakPolarHBondContact O-CA 3.45Å; L72-I82 HydrophobicContact CB-CD1 4.07Å; L72-I82 HydrophobicContact CD1-CD1 3.67Å; L72-I82 HydrophobicContact CG-CD1 4.49Å; I82-D98 CarbonylContact O-C 3.56Å; I82-D98 WeakPolarHBondContact O-CA 3.36Å; I82-Y99 PolarHBondContact N-O 2.84Å; I82-Y99 PolarHBondContact O-N 2.83Å; I82-I101 HydrophobicContact CG1-CD1 3.92Å
83R95.5Very high91.9Very high61 Ų6165.4 Ų65.423%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-107128.9174.3174.4164.1-72.3167.91.1109.6Y70 A71 L73 Q85 D98Y70-R83 WeakPolarHBondContact CA-O 3.05Å; A71-R83 PolarHBondContact N-O 3.06Å; A71-R83 PolarHBondContact O-N 3.48Å; L73-R83 HydrophobicContact CB-CB 4.22Å; L73-R83 VanDerWaalsContact CD2-CZ 3.4Å; L73-R83 VanDerWaalsContact CD2-NH2 3.29Å; R83-Q85 HydrophobicContact CG-CB 4.2Å; R83-D98 WeakPolarHBondContact CB-OD1 3.35Å; R83-D98 WeakPolarHBondContact CG-OD1 3.49Å; R83-D98 IonicContact CZ-OD1 3.4Å; R83-D98 IonicContact CZ-OD2 3.17Å; R83-D98 IonicContact NE-OD1 3.66Å; R83-D98 PolarHBondContact NE-OD1 3.09Å; R83-D98 IonicContact NE-OD2 3.39Å; R83-D98 IonicContact NH2-OD1 2.71Å; R83-D98 PolarHBondContact NH2-OD1 3Å; R83-D98 IonicContact NH2-OD2 3.5Å; R83-D98 PolarHBondContact NH2-OD2 3.11Å
84K95.6Very high92Very high33 Ų3364.1 Ų64.114%0.14334%0.342CS..EExtended strand (participates in β ladder)trans-87.3126.6162.5-178.3-174.1-178.5179.10108.3V68 E69 Y70 M96 E97 Y99V68-K84 HydrophobicContact CG1-CD 4.37Å; V68-K84 HydrophobicContact CG1-CG 3.75Å; E69-K84 WeakPolarHBondContact O-CA 3.25Å; Y70-K84 HydrophobicContact CD1-CB 3.92Å; Y70-K84 HydrophobicContact CD1-CG 4.36Å; Y70-K84 HydrophobicContact CE1-CB 3.68Å; Y70-K84 HydrophobicContact CE1-CD 4.06Å; Y70-K84 HydrophobicContact CE1-CG 3.86Å; Y70-K84 HydrophobicContact CE2-CG 4.49Å; K84-M96 HydrophobicContact CG-CB 4.43Å; K84-M96 HydrophobicContact CG-SD 4.4Å; K84-M96 WeakPolarHBondContact O-CB 3.33Å; K84-M96 PolarHBondContact O-N 2.81Å; K84-E97 HydrophobicContact CB-CB 4.29Å; K84-E97 HydrophobicContact CD-CB 4.38Å; K84-E97 WeakPolarHBondContact CD-OE2 3.19Å; K84-E97 PolarHBondContact N-O 2.67Å; K84-E97 IonicContact NZ-OE2 2.94Å; K84-E97 PolarHBondContact NZ-OE2 3.01Å; K84-E97 PolarHBondContact O-N 2.87Å; K84-Y99 HydrophobicContact CB-CE2 3.86Å; K84-Y99 HydrophobicContact CD-CE2 4.42Å
85Q95.1Very high91.9Very high21 Ų2163 Ų6310%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-141.4147.7-175.262.1-163.215.400111.1V68 E69 R83 I93 T94V68-Q85 WeakPolarHBondContact CA-O 3.39Å; E69-Q85 HydrophobicContact CG-CG 3.46Å; E69-Q85 VanDerWaalsContact CG-CG 3.46Å; E69-Q85 PolarHBondContact N-O 3.2Å; E69-Q85 PolarHBondContact O-N 2.91Å; E69-Q85 PolarHBondContact OE1-NE2 2.76Å; R83-Q85 HydrophobicContact CG-CB 4.2Å; Q85-I93 HydrophobicContact CB-CG2 3.54Å; Q85-I93 HydrophobicContact CG-CG2 3.66Å; Q85-T94 CarbonylContact C-O 3.53Å; Q85-T94 VanDerWaalsContact CA-O 3.32Å; Q85-T94 WeakPolarHBondContact CA-O 3.45Å
86Y95.2Very high91.9Very high99 Ų9965.5 Ų65.539%0.38835%0.35SS..EExtended strand (participates in β ladder)trans-96.1116.6173.3-169.7-90.5000109.3G67 V68 Q88 T94G67-Y86 WeakPolarHBondContact O-CA 3.34Å; V68-Y86 HydrophobicContact CG2-CD2 3.96Å; Y86-Q88 HydrophobicContact CD1-CG 4.03Å; Y86-Q88 HydrophobicContact CE1-CG 4.17Å; Y86-T94 PolarHBondContact N-O 3.02Å; Y86-T94 PolarHBondContact O-N 2.78Å
87R91.2Very high91.8Very high39 Ų3965.2 Ų65.215%0.14734%0.342CS..EExtended strand (participates in β ladder)trans-84.7124.7173.2-178.6177.4-65-83.7-5.1109.8L62 A65 S66 G67 E69L62-R87 WeakPolarHBondContact O-CD 3.32Å; A65-R87 WeakPolarHBondContact O-CD 3.33Å; S66-R87 CarbonylContact C-O 3.57Å; S66-R87 WeakPolarHBondContact CA-O 3.43Å; S66-R87 WeakPolarHBondContact CB-O 3.34Å; G67-R87 PolarHBondContact N-O 3.25Å; G67-R87 PolarHBondContact O-N 2.81Å; E69-R87 IonicContact OE1-CZ 3.4Å; E69-R87 IonicContact OE1-NE 2.87Å; E69-R87 PolarHBondContact OE1-NE 2.9Å; E69-R87 IonicContact OE1-NH2 3.41Å; E69-R87 PolarHBondContact OE1-NH2 3.13Å; E69-R87 IonicContact OE2-CZ 2.79Å; E69-R87 IonicContact OE2-NE 3.29Å; E69-R87 PolarHBondContact OE2-NE 3.15Å; E69-R87 IonicContact OE2-NH2 2.88Å; E69-R87 PolarHBondContact OE2-NH2 3.17Å; E69-R87 VanDerWaalsContact OE2-NH2 3.17Å
88Q90.2Very high92.1Very high76 Ų7661 Ų6136%0.35532%0.324SS..PPolyproline II helixtrans-91.5157172.3-61.2-172.813.500111Y86 N90 Q91 T92 T94Y86-Q88 HydrophobicContact CD1-CG 4.03Å; Y86-Q88 HydrophobicContact CE1-CG 4.17Å; Q88-N90 WeakPolarHBondContact CB-OD1 3.16Å; Q88-N90 PolarHBondContact O-N 3.12Å; Q88-N90 VanDerWaalsContact O-N 3.15Å; Q88-Q91 PolarHBondContact O-N 3.06Å; Q88-T92 WeakPolarHBondContact CB-OG1 3.5Å; Q88-T92 VanDerWaalsContact CD-OG1 3.23Å; Q88-T92 PolarHBondContact N-O 3.39Å; Q88-T92 PolarHBondContact OE1-OG1 2.79Å; Q88-T94 PolarHBondContact NE2-OG1 3.2Å
89A79.9Confident92.3Very high80 Ų8056.7 Ų56.766%0.66130%0.295SS*.THydrogen-bonded Turntrans-61.5-23.2-179.300000113.8Q91A89-Q91 PolarHBondContact O-N 2.73Å
90N84Confident92.4Very high101 Ų10158.1 Ų58.154%0.5430%0.297SS..THydrogen-bonded Turntrans-8315.4174.365.4-0.6000113.2Q88 T92Q88-N90 WeakPolarHBondContact CB-OD1 3.16Å; Q88-N90 PolarHBondContact O-N 3.12Å; Q88-N90 VanDerWaalsContact O-N 3.15Å; N90-T92 PolarHBondContact ND2-OG1 2.82Å; N90-T92 PolarHBondContact O-N 3.27Å; N90-T92 VanDerWaalsContact O-N 3.16Å; N90-T92 VanDerWaalsContact OD1-CB 3.32Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 WeakPolarHBondContact OD1-CG2 3.24Å; N90-T92 PolarHBondContact OD1-N 2.77Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å
91Q80Confident92.3Very high125 Ų12557.9 Ų57.958%0.58430%0.296SS*.SBendtrans63.310.9-176-53.6-174.4-13.100115.4Q88 A89Q88-Q91 PolarHBondContact O-N 3.06Å; A89-Q91 PolarHBondContact O-N 2.73Å
92T91.3Very high92.1Very high61 Ų6161.1 Ų61.137%0.37431%0.312SS..  trans-78.4145.6170.6670000110.5Q88 N90Q88-T92 WeakPolarHBondContact CB-OG1 3.5Å; Q88-T92 VanDerWaalsContact CD-OG1 3.23Å; Q88-T92 PolarHBondContact N-O 3.39Å; Q88-T92 PolarHBondContact OE1-OG1 2.79Å; N90-T92 PolarHBondContact ND2-OG1 2.82Å; N90-T92 PolarHBondContact O-N 3.27Å; N90-T92 VanDerWaalsContact O-N 3.16Å; N90-T92 VanDerWaalsContact OD1-CB 3.32Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 WeakPolarHBondContact OD1-CG2 3.24Å; N90-T92 PolarHBondContact OD1-N 2.77Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å
93I92.9Very high91.8Very high77 Ų7763.1 Ų63.140%0.39533%0.333SS..EExtended strand (participates in β ladder)trans-117.1122.8-176.3-62174.5000107.7Q85Q85-I93 HydrophobicContact CB-CG2 3.54Å; Q85-I93 HydrophobicContact CG-CG2 3.66Å
94T94.5Very high91.6Very high59 Ų5960.4 Ų60.436%0.36232%0.324SS..EExtended strand (participates in β ladder)trans-99.7110.8173.7-52.90000108.7Q85 Y86 Q88 M96Q85-T94 CarbonylContact C-O 3.53Å; Q85-T94 VanDerWaalsContact CA-O 3.32Å; Q85-T94 WeakPolarHBondContact CA-O 3.45Å; Y86-T94 PolarHBondContact N-O 3.02Å; Y86-T94 PolarHBondContact O-N 2.78Å; Q88-T94 PolarHBondContact NE2-OG1 3.2Å; T94-M96 PolarHBondContact O-N 2.91Å
95P94Very high91.5Very high81 Ų8159.4 Ų59.453%0.52632%0.321SS..EExtended strand (participates in β ladder)trans-64.5134.4174.628.8-33.7000109
96M93.2Very high91.5Very high95 Ų9558.4 Ų58.447%0.46832%0.316SS..EExtended strand (participates in β ladder)trans-110.3-60.6179.5-60.1177.370.200110.3V68 K84 T94V68-M96 HydrophobicContact CG2-SD 4.17Å; K84-M96 HydrophobicContact CG-CB 4.43Å; K84-M96 HydrophobicContact CG-SD 4.4Å; K84-M96 WeakPolarHBondContact O-CB 3.33Å; K84-M96 PolarHBondContact O-N 2.81Å; T94-M96 PolarHBondContact O-N 2.91Å
97E93.1Very high91.5Very high65 Ų6558 Ų5830%0.30431%0.314SS..EExtended strand (participates in β ladder)trans-145.3146.5-172-61.5172144.600109.5K84 Y99 Q108K84-E97 HydrophobicContact CB-CB 4.29Å; K84-E97 HydrophobicContact CD-CB 4.38Å; K84-E97 WeakPolarHBondContact CD-OE2 3.19Å; K84-E97 PolarHBondContact N-O 2.67Å; K84-E97 IonicContact NZ-OE2 2.94Å; K84-E97 PolarHBondContact NZ-OE2 3.01Å; K84-E97 PolarHBondContact O-N 2.87Å; E97-Y99 HydrophobicContact CB-CE2 3.85Å; E97-Y99 PolarHBondContact OE2-OH 2.8Å; E97-Q108 PolarHBondContact OE1-NE2 3.34Å
98D94.4Very high91.5Very high37 Ų3757.2 Ų57.220%0.19831%0.312CS..EExtended strand (participates in β ladder)trans-114.1148.2175.6-70.8-19.5000109.7V81 I82 R83 A109V81-D98 HydrophobicContact CG1-CB 4.49Å; I82-D98 CarbonylContact O-C 3.56Å; I82-D98 WeakPolarHBondContact O-CA 3.36Å; R83-D98 WeakPolarHBondContact CB-OD1 3.35Å; R83-D98 WeakPolarHBondContact CG-OD1 3.49Å; R83-D98 IonicContact CZ-OD1 3.4Å; R83-D98 IonicContact CZ-OD2 3.17Å; R83-D98 IonicContact NE-OD1 3.66Å; R83-D98 PolarHBondContact NE-OD1 3.09Å; R83-D98 IonicContact NE-OD2 3.39Å; R83-D98 IonicContact NH2-OD1 2.71Å; R83-D98 PolarHBondContact NH2-OD1 3Å; R83-D98 IonicContact NH2-OD2 3.5Å; R83-D98 PolarHBondContact NH2-OD2 3.11Å; D98-A109 HydrophobicContact CB-CB 3.81Å; D98-A109 WeakPolarHBondContact O-CB 3.43Å; D98-A109 PolarHBondContact O-N 2.53Å
99Y95.5Very high91.5Very high4 Ų454.2 Ų54.22%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-132.9130.2-177.4-59.9-86.4000109.8F35 F42 Y70 V81 I82 K84 E97 Y107 Q108F35-Y99 HydrophobicContact CE2-CD1 4.27Å; F35-Y99 HydrophobicContact CE2-CD2 4.26Å; F35-Y99 AromaticContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CZ-CD1 4.3Å; F35-Y99 AromaticContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CE2 4.31Å; F35-Y99 AromaticContact CZ-CG 3.87Å; F35-Y99 HydrophobicContact CZ-CG 3.87Å; F42-Y99 HydrophobicContact CB-CD1 3.92Å; F42-Y99 HydrophobicContact CB-CE1 3.49Å; F42-Y99 VanDerWaalsContact CB-CE1 3.49Å; F42-Y99 HydrophobicContact CD1-CD1 4.22Å; F42-Y99 AromaticContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD2-CD1 4.33Å; F42-Y99 HydrophobicContact CD2-CE1 4.45Å; F42-Y99 HydrophobicContact CE1-CE1 4.47Å; F42-Y99 AromaticContact CG-CD1 3.9Å; F42-Y99 HydrophobicContact CG-CD1 3.9Å; F42-Y99 AromaticContact CG-CE1 3.61Å; F42-Y99 HydrophobicContact CG-CE1 3.61Å; Y70-Y99 HydrophobicContact CE1-CE2 4.05Å; V81-Y99 CarbonylContact C-O 3.59Å; V81-Y99 WeakPolarHBondContact CA-O 3.38Å; I82-Y99 PolarHBondContact N-O 2.84Å; I82-Y99 PolarHBondContact O-N 2.83Å; K84-Y99 HydrophobicContact CB-CE2 3.86Å; K84-Y99 HydrophobicContact CD-CE2 4.42Å; E97-Y99 HydrophobicContact CB-CE2 3.85Å; E97-Y99 PolarHBondContact OE2-OH 2.8Å; Y99-Y107 CarbonylContact C-O 3.56Å; Y99-Y107 VanDerWaalsContact CA-O 3.24Å; Y99-Y107 WeakPolarHBondContact CA-O 3.48Å; Y99-Q108 HydrophobicContact CD1-CB 4.08Å; Y99-Q108 HydrophobicContact CD1-CG 4.17Å; Y99-Q108 HydrophobicContact CE1-CB 4.01Å; Y99-Q108 HydrophobicContact CE1-CG 3.8Å
100Y94.7Very high92Very high87 Ų8753.1 Ų53.134%0.34129%0.287SS..EExtended strand (participates in β ladder)trans-97.8132.8176.7-58-61.5000110.2L79 F80 V81 V106 Y107 A109L79-Y100 HydrophobicContact CD1-CD1 4.25Å; F80-Y100 WeakPolarHBondContact O-CA 3.35Å; V81-Y100 HydrophobicContact CG1-CD1 4.37Å; V81-Y100 HydrophobicContact CG1-CE1 4.2Å; V81-Y100 HydrophobicContact CG2-CD1 3.9Å; V81-Y100 HydrophobicContact CG2-CE1 3.99Å; Y100-V106 CarbonylContact O-C 3.25Å; Y100-V106 WeakPolarHBondContact O-CA 2.96Å; Y100-Y107 PolarHBondContact N-O 3.21Å; Y100-Y107 PolarHBondContact O-N 2.99Å; Y100-A109 HydrophobicContact CD2-CB 3.83Å; Y100-A109 HydrophobicContact CE2-CB 3.18Å
101I95Very high92.2Very high1 Ų152.3 Ų52.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-114.1113.2171.5-46.1-171.9000107.2V31 Y34 F35 L79 F80 I82 T105 V106V31-I101 HydrophobicContact CG2-CD1 3.64Å; Y34-I101 HydrophobicContact CD1-CD1 4.22Å; Y34-I101 HydrophobicContact CD1-CG2 4.49Å; Y34-I101 HydrophobicContact CE1-CD1 4.38Å; Y34-I101 HydrophobicContact CE1-CG2 3.99Å; F35-I101 HydrophobicContact CB-CD1 4.15Å; F35-I101 HydrophobicContact CD2-CD1 3.91Å; F35-I101 HydrophobicContact CG-CD1 4.49Å; L79-I101 WeakPolarHBondContact CA-O 3.45Å; F80-I101 HydrophobicContact CB-CB 4.2Å; F80-I101 HydrophobicContact CD2-CB 4.38Å; F80-I101 PolarHBondContact N-O 2.96Å; F80-I101 PolarHBondContact O-N 2.84Å; I82-I101 HydrophobicContact CG1-CD1 3.92Å; I101-T105 WeakPolarHBondContact CA-O 3.19Å; I101-V106 HydrophobicContact CD1-CG2 4.07Å; I101-V106 HydrophobicContact CG1-CG1 4.42Å; I101-V106 HydrophobicContact CG1-CG2 3.95Å; I101-V106 HydrophobicContact CG2-CG2 4.2Å
102I92.8Very high92.5Very high81 Ų8152.4 Ų52.442%0.41529%0.286SS..EExtended strand (participates in β ladder)trans-135125.5-178.2-55.8173.9000107.9L79 G104 T105L79-I102 HydrophobicContact CD1-CD1 3.7Å; L79-I102 HydrophobicContact CD1-CG1 3.41Å; L79-I102 VanDerWaalsContact CD1-CG1 3.41Å; I102-G104 PolarHBondContact O-N 2.94Å; I102-T105 PolarHBondContact N-O 3.21Å; I102-T105 PolarHBondContact O-N 3.33Å
103G90.7Very high92.5Very high42 Ų4252.9 Ų52.943%0.43329%0.292SS..THydrogen-bonded Turntrans58.931.7178.400000113.4P23 T105P23-G103 WeakPolarHBondContact CG-O 3.43Å; G103-T105 PolarHBondContact O-N 2.99Å
104G90.8Very high92.3Very high5 Ų551.8 Ų51.85%0.05229%0.29CS..THydrogen-bonded Turntrans70.214-176.700000114.6Y34 I102Y34-G104 PolarHBondContact OH-O 3.37Å; I102-G104 PolarHBondContact O-N 2.94Å
105T93.7Very high92.2Very high12 Ų1251.2 Ų51.27%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-108.7136.6168.3-570000109.7Q16 W17 N18 I101 I102 G103 Y107Q16-T105 HydrophobicContact CB-CG2 4.04Å; Q16-T105 HydrophobicContact CG-CG2 4.47Å; W17-T105 WeakPolarHBondContact O-CA 3.42Å; N18-T105 HydrophobicContact CB-CG2 3.97Å; N18-T105 VanDerWaalsContact CG-OG1 3.27Å; N18-T105 PolarHBondContact OD1-OG1 2.83Å; N18-T105 VanDerWaalsContact OD1-OG1 3.11Å; I101-T105 WeakPolarHBondContact CA-O 3.19Å; I102-T105 PolarHBondContact N-O 3.21Å; I102-T105 PolarHBondContact O-N 3.33Å; G103-T105 PolarHBondContact O-N 2.99Å; T105-Y107 HydrophobicContact CG2-CD2 4.18Å; T105-Y107 HydrophobicContact CG2-CE1 3.94Å; T105-Y107 HydrophobicContact CG2-CE2 3.49Å; T105-Y107 VanDerWaalsContact CG2-CE2 3.49Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.37Å
106V95.1Very high92.2Very high0 Ų052.3 Ų52.30%029%0.288CS..EExtended strand (participates in β ladder)trans-99.7129.7177.1-176.40000109.7Q16 W17 Y34 F35 F42 Y100 I101Q16-V106 WeakPolarHBondContact CA-O 3.21Å; W17-V106 HydrophobicContact CB-CB 4.29Å; W17-V106 HydrophobicContact CE3-CB 4.2Å; W17-V106 HydrophobicContact CE3-CG2 3.59Å; W17-V106 HydrophobicContact CZ3-CG2 4.11Å; W17-V106 PolarHBondContact N-O 3.33Å; W17-V106 PolarHBondContact O-N 3.12Å; Y34-V106 HydrophobicContact CE1-CG2 3.87Å; F35-V106 HydrophobicContact CD2-CG1 3.92Å; F35-V106 HydrophobicContact CD2-CG2 4.43Å; F35-V106 HydrophobicContact CE2-CG1 3.62Å; F42-V106 HydrophobicContact CD2-CB 4.33Å; F42-V106 HydrophobicContact CD2-CG1 3.68Å; F42-V106 HydrophobicContact CE2-CB 4.42Å; F42-V106 HydrophobicContact CE2-CG1 4.07Å; Y100-V106 CarbonylContact O-C 3.25Å; Y100-V106 WeakPolarHBondContact O-CA 2.96Å; I101-V106 HydrophobicContact CD1-CG2 4.07Å; I101-V106 HydrophobicContact CG1-CG1 4.42Å; I101-V106 HydrophobicContact CG1-CG2 3.95Å; I101-V106 HydrophobicContact CG2-CG2 4.2Å
107Y94.1Very high92.3Very high89 Ų8952.1 Ų52.135%0.34929%0.289SS..EExtended strand (participates in β ladder)trans-123.5143178.3-58-89.1000109.7Q16 Y99 Y100 T105Q16-Y107 HydrophobicContact CB-CD1 3.94Å; Q16-Y107 HydrophobicContact CB-CE1 3.94Å; Q16-Y107 PolarHBondContact OE1-OH 3.47Å; Y99-Y107 CarbonylContact C-O 3.56Å; Y99-Y107 VanDerWaalsContact CA-O 3.24Å; Y99-Y107 WeakPolarHBondContact CA-O 3.48Å; Y100-Y107 PolarHBondContact N-O 3.21Å; Y100-Y107 PolarHBondContact O-N 2.99Å; T105-Y107 HydrophobicContact CG2-CD2 4.18Å; T105-Y107 HydrophobicContact CG2-CE1 3.94Å; T105-Y107 HydrophobicContact CG2-CE2 3.49Å; T105-Y107 VanDerWaalsContact CG2-CE2 3.49Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.37Å
108Q92.4Very high92.3Very high23 Ų2352 Ų5211%0.10730%0.295CS..EExtended strand (participates in β ladder)trans-79.3132.3166.9-171173.422.600110.1L13 F42 E97 Y99L13-Q108 HydrophobicContact CD2-CB 4.34Å; L13-Q108 HydrophobicContact CD2-CG 4.28Å; F42-Q108 HydrophobicContact CE1-CB 4.06Å; F42-Q108 HydrophobicContact CZ-CB 4.45Å; E97-Q108 PolarHBondContact OE1-NE2 3.34Å; Y99-Q108 HydrophobicContact CD1-CB 4.08Å; Y99-Q108 HydrophobicContact CD1-CG 4.17Å; Y99-Q108 HydrophobicContact CE1-CB 4.01Å; Y99-Q108 HydrophobicContact CE1-CG 3.8Å
109A89.7Confident92.4Very high14 Ų1458.2 Ų58.212%0.11632%0.316CS..PPolyproline II helixtrans-71.6133.217500000110.3D98 Y100D98-A109 HydrophobicContact CB-CB 3.81Å; D98-A109 WeakPolarHBondContact O-CB 3.43Å; D98-A109 PolarHBondContact O-N 2.53Å; Y100-A109 HydrophobicContact CD2-CB 3.83Å; Y100-A109 HydrophobicContact CE2-CB 3.18Å
110P89.5Confident92.5Very high56 Ų5662.6 Ų62.636%0.36434%0.339SS..PPolyproline II helixtrans-65.2147.9169.329.4-34.9000110.4L13 V115L13-P110 HydrophobicContact CD1-CB 3.85Å; L13-P110 HydrophobicContact CD2-CB 4.07Å; P110-V115 HydrophobicContact CB-CG2 3.8Å; P110-V115 HydrophobicContact CG-CG2 3.45Å; P110-V115 VanDerWaalsContact CG-CG2 3.45Å
111D87.9Confident92.6Very high84 Ų8464.4 Ų64.445%0.44935%0.35SS..PPolyproline II helixtrans-62.2146.216964.6-55.4000110.3C113 S114 V115D111-C113 PolarHBondContact O-N 3.01Å; D111-C113 VanDerWaalsContact O-N 3.16Å; D111-C113 WeakPolarHBondContact OD2-CB 3.35Å; D111-S114 VanDerWaalsContact CG-OG 3.23Å; D111-S114 PolarHBondContact O-N 3.13Å; D111-S114 VanDerWaalsContact O-N 3.13Å; D111-S114 WeakPolarHBondContact OD1-CB 3.36Å; D111-S114 PolarHBondContact OD1-OG 2.86Å; D111-S114 PolarHBondContact OD2-N 3.13Å; D111-S114 PolarHBondContact OD2-OG 3.3Å; D111-V115 PolarHBondContact O-N 3.16Å; D111-V115 VanDerWaalsContact O-N 3.13Å
112L88Confident92.7Very high127 Ų12766.4 Ų66.467%0.66537%0.367SS*.Hα-helixtrans-56.4-35.5-179179.760.9000111.8V115 L116L112-V115 PolarHBondContact O-N 3.42Å; L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CG-CD1 4.05Å; L112-L116 HydrophobicContact CG-CG 4.39Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.74Å
113C91.3Very high92.9Very high72 Ų7265.9 Ų65.949%0.48637%0.37SS..Hα-helixtrans-63.8-47.4178.9-168.20000111.3D111 V115 L116 N117D111-C113 PolarHBondContact O-N 3.01Å; D111-C113 VanDerWaalsContact O-N 3.16Å; D111-C113 WeakPolarHBondContact OD2-CB 3.35Å; C113-V115 VanDerWaalsContact C-N 3.34Å; C113-V115 PolarHBondContact O-N 2.84Å; C113-L116 PolarHBondContact O-N 3.35Å; C113-N117 VanDerWaalsContact O-CB 3.32Å; C113-N117 WeakPolarHBondContact O-CB 3.33Å; C113-N117 PolarHBondContact O-N 3.25Å; C113-N117 PolarHBondContact O-ND2 3.46Å; C113-N117 PolarHBondContact SG-ND2 3.47Å
114S88.8Confident93.3Very high53 Ų5367.5 Ų67.537%0.37137%0.368SS..Hα-helixtrans-60.8-40.1174.8-66.30000113.2D111 S118D111-S114 VanDerWaalsContact CG-OG 3.23Å; D111-S114 PolarHBondContact O-N 3.13Å; D111-S114 VanDerWaalsContact O-N 3.13Å; D111-S114 WeakPolarHBondContact OD1-CB 3.36Å; D111-S114 PolarHBondContact OD1-OG 2.86Å; D111-S114 PolarHBondContact OD2-N 3.13Å; D111-S114 PolarHBondContact OD2-OG 3.3Å; S114-S118 WeakPolarHBondContact O-CB 3.32Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 PolarHBondContact O-OG 3.01Å
115V91Very high93.6Very high48 Ų4872.8 Ų72.829%0.29139%0.392SS..Hα-helixtrans-62.1-50.1176179.10000110.4P110 D111 L112 C113 N117 S118 R119P110-V115 HydrophobicContact CB-CG2 3.8Å; P110-V115 HydrophobicContact CG-CG2 3.45Å; P110-V115 VanDerWaalsContact CG-CG2 3.45Å; D111-V115 PolarHBondContact O-N 3.16Å; D111-V115 VanDerWaalsContact O-N 3.13Å; L112-V115 PolarHBondContact O-N 3.42Å; C113-V115 VanDerWaalsContact C-N 3.34Å; C113-V115 PolarHBondContact O-N 2.84Å; V115-N117 PolarHBondContact O-N 3.5Å; V115-S118 PolarHBondContact O-N 2.86Å; V115-S118 PolarHBondContact O-OG 2.89Å; V115-R119 HydrophobicContact CG1-CG 4.33Å; V115-R119 WeakPolarHBondContact O-CB 3.45Å; V115-R119 WeakPolarHBondContact O-CG 3.5Å; V115-R119 PolarHBondContact O-N 3.06Å
116L95.6Very high93.8Very high104 Ų10478.8 Ų78.855%0.54542%0.418SS..Hα-helixtrans-62.1-45179.7-70.4175.9000112.2L112 C113 S118 R119 L120L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CG-CD1 4.05Å; L112-L116 HydrophobicContact CG-CG 4.39Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.74Å; C113-L116 PolarHBondContact O-N 3.35Å; L116-S118 PolarHBondContact O-N 3.36Å; L116-R119 PolarHBondContact O-N 3.37Å; L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.16Å; L116-L120 PolarHBondContact O-N 2.95Å
117N94.8Very high94Very high91 Ų9183.5 Ų83.549%0.48744%0.443SS..Hα-helixtrans-61.5-47.1179.3-72.8-23.4000111.4C113 V115 R119 L120 Q121C113-N117 VanDerWaalsContact O-CB 3.32Å; C113-N117 WeakPolarHBondContact O-CB 3.33Å; C113-N117 PolarHBondContact O-N 3.25Å; C113-N117 PolarHBondContact O-ND2 3.46Å; C113-N117 PolarHBondContact SG-ND2 3.47Å; V115-N117 PolarHBondContact O-N 3.5Å; N117-R119 PolarHBondContact O-N 3.43Å; N117-L120 PolarHBondContact O-N 2.91Å; N117-Q121 WeakPolarHBondContact O-CB 3.46Å; N117-Q121 WeakPolarHBondContact O-CG 3.17Å; N117-Q121 PolarHBondContact O-N 3.42Å
118S93.5Very high94.1Very high61 Ų6187.2 Ų87.243%0.42746%0.457SS..Hα-helixtrans-63.5-40.3179.263.50000112.5S114 V115 L116 A122S114-S118 WeakPolarHBondContact O-CB 3.32Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 PolarHBondContact O-OG 3.01Å; V115-S118 PolarHBondContact O-N 2.86Å; V115-S118 PolarHBondContact O-OG 2.89Å; L116-S118 PolarHBondContact O-N 3.36Å; S118-A122 WeakPolarHBondContact O-CB 3.24Å; S118-A122 PolarHBondContact O-N 3.04Å
119R94.6Very high94.3Very high169 Ų16988.3 Ų88.364%0.63847%0.469SS*.Hα-helixtrans-67.7-45177.3-66-69.4-177.7-112.4-0.3111.7V115 L116 N117 A122 S123V115-R119 HydrophobicContact CG1-CG 4.33Å; V115-R119 WeakPolarHBondContact O-CB 3.45Å; V115-R119 WeakPolarHBondContact O-CG 3.5Å; V115-R119 PolarHBondContact O-N 3.06Å; L116-R119 PolarHBondContact O-N 3.37Å; N117-R119 PolarHBondContact O-N 3.43Å; R119-A122 PolarHBondContact O-N 3.3Å; R119-S123 PolarHBondContact O-N 3.47Å; R119-S123 PolarHBondContact O-OG 3.09Å; R119-S123 VanDerWaalsContact O-OG 3.09Å
120L97.9Very high94.6Very high95 Ų9590 Ų9050%0.49748%0.484SS..Hα-helixtrans-63.5-43.2178.1-176.9152.7000111.4L116 N117 S123 I124L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.16Å; L116-L120 PolarHBondContact O-N 2.95Å; N117-L120 PolarHBondContact O-N 2.91Å; L120-S123 PolarHBondContact O-N 3.38Å; L120-I124 HydrophobicContact CD2-CD1 3.41Å; L120-I124 VanDerWaalsContact CD2-CD1 3.41Å; L120-I124 HydrophobicContact CD2-CG1 4.22Å; L120-I124 HydrophobicContact CG-CD1 4.32Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.28Å
121Q97.8Very high95Very high126 Ų12694.6 Ų94.659%0.58950%0.498SS*.Hα-helixtrans-59.3-47.1174.9-73.8-70.7-28.500111.3N117 S123 I124 E125N117-Q121 WeakPolarHBondContact O-CB 3.46Å; N117-Q121 WeakPolarHBondContact O-CG 3.17Å; N117-Q121 PolarHBondContact O-N 3.42Å; Q121-S123 PolarHBondContact O-N 2.91Å; Q121-I124 PolarHBondContact O-N 2.89Å; Q121-E125 WeakPolarHBondContact O-CB 3.48Å; Q121-E125 PolarHBondContact O-N 2.93Å
122A97.3Very high95.4Very high43 Ų4397.7 Ų97.736%0.35551%0.51SS..Hα-helixtrans-61.6-43176.100000112.2S118 R119 I124 E125 H126S118-A122 WeakPolarHBondContact O-CB 3.24Å; S118-A122 PolarHBondContact O-N 3.04Å; R119-A122 PolarHBondContact O-N 3.3Å; A122-I124 PolarHBondContact O-N 3.42Å; A122-E125 PolarHBondContact O-N 3.01Å; A122-H126 PolarHBondContact O-CD2 2.92Å; A122-H126 PolarHBondContact O-N 3.32Å
123S97.2Very high95.6Very high69 Ų6998.6 Ų98.648%0.48351%0.511SS..Hα-helixtrans-60.9-43.5176.1-63.10000112.2R119 L120 Q121 H126 L127R119-S123 PolarHBondContact O-N 3.47Å; R119-S123 PolarHBondContact O-OG 3.09Å; R119-S123 VanDerWaalsContact O-OG 3.09Å; L120-S123 PolarHBondContact O-N 3.38Å; Q121-S123 PolarHBondContact O-N 2.91Å; S123-H126 PolarHBondContact O-N 3.47Å; S123-L127 VanDerWaalsContact O-CG 3.31Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3.3Å
124I98Very high95.8Very high76 Ų7698 Ų9839%0.3951%0.511SS..Hα-helixtrans-64.3-43.2176.7-70.4177.3000110.7L120 Q121 A122 H126 L127 R128L120-I124 HydrophobicContact CD2-CD1 3.41Å; L120-I124 VanDerWaalsContact CD2-CD1 3.41Å; L120-I124 HydrophobicContact CD2-CG1 4.22Å; L120-I124 HydrophobicContact CG-CD1 4.32Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.28Å; Q121-I124 PolarHBondContact O-N 2.89Å; A122-I124 PolarHBondContact O-N 3.42Å; I124-H126 VanDerWaalsContact C-N 3.35Å; I124-H126 PolarHBondContact O-N 2.86Å; I124-L127 PolarHBondContact O-N 3.21Å; I124-R128 HydrophobicContact CG2-CG 4.26Å; I124-R128 VanDerWaalsContact O-CG 3.29Å; I124-R128 WeakPolarHBondContact O-CG 3.31Å; I124-R128 PolarHBondContact O-N 3.48Å
125E98Very high95.9Very high117 Ų11797.8 Ų97.855%0.54751%0.513SS..Hα-helixtrans-62-44178.3-172.657.4-155.400111.5Q121 A122 L127 R128 A129Q121-E125 WeakPolarHBondContact O-CB 3.48Å; Q121-E125 PolarHBondContact O-N 2.93Å; A122-E125 PolarHBondContact O-N 3.01Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.2Å; E125-R128 PolarHBondContact O-N 2.88Å; E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.42Å
126H97.8Very high95.9Very high137 Ų137101.7 Ų101.763%0.63453%0.526SS*.Hα-helixtrans-61.9-39.3174.5-70.7-48.5000112.8A122 S123 I124 A130A122-H126 PolarHBondContact O-CD2 2.92Å; A122-H126 PolarHBondContact O-N 3.32Å; S123-H126 PolarHBondContact O-N 3.47Å; I124-H126 VanDerWaalsContact C-N 3.35Å; I124-H126 PolarHBondContact O-N 2.86Å; H126-A130 VanDerWaalsContact O-CB 3.28Å; H126-A130 WeakPolarHBondContact O-CB 3.39Å; H126-A130 PolarHBondContact O-N 3.43Å
127L98Very high95.5Very high100 Ų100102.9 Ų102.952%0.52453%0.527SS..Hα-helixtrans-66.4-41.8175.3-72.3173.8000111.9S123 I124 E125 A130 F131S123-L127 VanDerWaalsContact O-CG 3.31Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3.3Å; I124-L127 PolarHBondContact O-N 3.21Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.2Å; L127-A130 PolarHBondContact O-N 3.31Å; L127-F131 HydrophobicContact CB-CE2 4.48Å; L127-F131 WeakPolarHBondContact O-CD2 3.44Å; L127-F131 WeakPolarHBondContact O-CG 3.42Å; L127-F131 PolarHBondContact O-N 2.89Å
128R96.8Very high95Very high167 Ų167103.5 Ų103.563%0.6353%0.53SS*.Hα-helixtrans-61.3-48.7176.1-72.3173.267.9121.84.6111I124 E125 A130 F131 E132I124-R128 HydrophobicContact CG2-CG 4.26Å; I124-R128 VanDerWaalsContact O-CG 3.29Å; I124-R128 WeakPolarHBondContact O-CG 3.31Å; I124-R128 PolarHBondContact O-N 3.48Å; E125-R128 PolarHBondContact O-N 2.88Å; R128-A130 PolarHBondContact O-N 3.25Å; R128-F131 PolarHBondContact O-N 3.46Å; R128-E132 WeakPolarHBondContact O-CB 3.28Å; R128-E132 PolarHBondContact O-N 2.95Å
129A97.2Very high94.5Very high45 Ų45107.9 Ų107.937%0.37254%0.541SS..Hα-helixtrans-60.3-43.9177.100000111.8E125 F131 E132 E133E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.42Å; A129-F131 PolarHBondContact O-N 3.28Å; A129-E132 PolarHBondContact O-N 2.91Å; A129-E133 WeakPolarHBondContact O-CB 3.17Å; A129-E133 PolarHBondContact O-N 2.98Å
130A96.5Very high93.6Very high51 Ų51104.7 Ų104.742%0.42153%0.533SS..Hα-helixtrans-62.9-40.8177.400000112.5H126 L127 R128 A134H126-A130 VanDerWaalsContact O-CB 3.28Å; H126-A130 WeakPolarHBondContact O-CB 3.39Å; H126-A130 PolarHBondContact O-N 3.43Å; L127-A130 PolarHBondContact O-N 3.31Å; R128-A130 PolarHBondContact O-N 3.25Å; A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.93Å
131F96.7Very high92.5Very high151 Ų151104 Ų10466%0.66253%0.531SS*.Hα-helixtrans-70.5-36.5175.9-70.5-41.5000112.9L127 R128 A129 A134 A135L127-F131 HydrophobicContact CB-CE2 4.48Å; L127-F131 WeakPolarHBondContact O-CD2 3.44Å; L127-F131 WeakPolarHBondContact O-CG 3.42Å; L127-F131 PolarHBondContact O-N 2.89Å; R128-F131 PolarHBondContact O-N 3.46Å; A129-F131 PolarHBondContact O-N 3.28Å; F131-A134 PolarHBondContact O-N 2.87Å; F131-A135 VanDerWaalsContact O-CB 3.28Å; F131-A135 WeakPolarHBondContact O-CB 3.15Å; F131-A135 PolarHBondContact O-N 3.25Å
132E95.7Very high91.5Very high149 Ų149102 Ų10270%0.69653%0.526SS*.Hα-helixtrans-64.7-44.1175.1-175.5171.5-177.200111.4R128 A129 A135 K136R128-E132 WeakPolarHBondContact O-CB 3.28Å; R128-E132 PolarHBondContact O-N 2.95Å; A129-E132 PolarHBondContact O-N 2.91Å; E132-A135 PolarHBondContact O-N 3.47Å; E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 2.89Å
133E94Very high90.3Very high146 Ų146102.9 Ų102.968%0.68253%0.527SS*.Hα-helixtrans-63.3-44.6175.5-171.2-179173.200111.6A129 A135 K136 K137A129-E133 WeakPolarHBondContact O-CB 3.17Å; A129-E133 PolarHBondContact O-N 2.98Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 3.31Å; E133-K136 PolarHBondContact O-N 3.43Å; E133-K137 WeakPolarHBondContact O-CB 3.41Å; E133-K137 PolarHBondContact O-N 3.39Å
134A93.8Very high89Confident59 Ų59106 Ų10649%0.48854%0.535SS..Hα-helixtrans-61.3-40.9175.700000112A130 F131 N138A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.93Å; F131-A134 PolarHBondContact O-N 2.87Å; A134-N138 WeakPolarHBondContact O-CB 3.46Å; A134-N138 PolarHBondContact O-N 2.91Å
135A92Very high87.9Confident50 Ų50108.1 Ų108.141%0.41355%0.547SS..Hα-helixtrans-67.4-38.2176.700000112.2F131 E132 E133 K139F131-A135 VanDerWaalsContact O-CB 3.28Å; F131-A135 WeakPolarHBondContact O-CB 3.15Å; F131-A135 PolarHBondContact O-N 3.25Å; E132-A135 PolarHBondContact O-N 3.47Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 3.31Å; A135-K139 WeakPolarHBondContact O-CG 3.23Å; A135-K139 PolarHBondContact O-N 3.33Å
136K91.4Very high86.9Confident129 Ų129106.4 Ų106.456%0.56154%0.544SS*.Hα-helixtrans-65.1-48.4175.6-173.9-176.6177.3-166.90111.4E132 E133 N138 K139 E140E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 2.89Å; E133-K136 PolarHBondContact O-N 3.43Å; K136-N138 VanDerWaalsContact C-N 3.27Å; K136-N138 PolarHBondContact O-N 3.19Å; K136-K139 WeakPolarHBondContact O-CB 3.49Å; K136-K139 PolarHBondContact O-N 3.06Å; K136-E140 WeakPolarHBondContact CE-OE1 3.48Å; K136-E140 IonicContact NZ-OE1 2.79Å; K136-E140 PolarHBondContact O-N 2.91Å
137K86.9Confident85.8Confident130 Ų130107 Ų10757%0.56554%0.541SS*.Hα-helixtrans-60.4-37.6177.8-173.3173.8-178.1175.20112E133 E140 N141E133-K137 WeakPolarHBondContact O-CB 3.41Å; E133-K137 PolarHBondContact O-N 3.39Å; K137-E140 PolarHBondContact O-N 3.38Å; K137-N141 WeakPolarHBondContact O-CB 3.43Å; K137-N141 PolarHBondContact O-N 3.48Å; K137-N141 PolarHBondContact O-ND2 2.98Å
138N85Confident84.7Confident104 Ų104104.2 Ų104.256%0.55653%0.531SS*.Hα-helixtrans-62.7-42.1174.6-16933.1000112A134 K136 V142A134-N138 WeakPolarHBondContact O-CB 3.46Å; A134-N138 PolarHBondContact O-N 2.91Å; K136-N138 VanDerWaalsContact C-N 3.27Å; K136-N138 PolarHBondContact O-N 3.19Å; N138-V142 VanDerWaalsContact O-CG2 3.29Å; N138-V142 WeakPolarHBondContact O-CG2 3.32Å; N138-V142 PolarHBondContact O-N 3.06Å; N138-V142 VanDerWaalsContact O-N 3.13Å
139K81.4Confident84Confident152 Ų15299.4 Ų99.466%0.66152%0.524SS*.Hα-helixtrans-63.6-41.9174.7-68.8174.4-177.7177.70111.8A135 K136 V142 V143A135-K139 WeakPolarHBondContact O-CG 3.23Å; A135-K139 PolarHBondContact O-N 3.33Å; K136-K139 WeakPolarHBondContact O-CB 3.49Å; K136-K139 PolarHBondContact O-N 3.06Å; K139-V142 PolarHBondContact O-N 3.32Å; K139-V143 VanDerWaalsContact O-CG2 3.23Å; K139-V143 WeakPolarHBondContact O-CG2 3.46Å; K139-V143 PolarHBondContact O-N 2.95Å
140E75.8Confident83.5Confident102 Ų102102.3 Ų102.348%0.47753%0.532SS..Hα-helixtrans-64.5-44.4178.6-71.6174.2174.500112K136 K137 V142 V143 E144K136-E140 WeakPolarHBondContact CE-OE1 3.48Å; K136-E140 IonicContact NZ-OE1 2.79Å; K136-E140 PolarHBondContact O-N 2.91Å; K137-E140 PolarHBondContact O-N 3.38Å; E140-V142 PolarHBondContact O-N 3.46Å; E140-V143 PolarHBondContact O-N 3.13Å; E140-E144 PolarHBondContact O-N 2.97Å
141N75.6Confident82.9Confident82 Ų82107.5 Ų107.544%0.43954%0.542SS..Hα-helixtrans-60.4-43.3176.4-71.3-19.7000112.1K137 V143 E144 D145K137-N141 WeakPolarHBondContact O-CB 3.43Å; K137-N141 PolarHBondContact O-N 3.48Å; K137-N141 PolarHBondContact O-ND2 2.98Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-V143 PolarHBondContact O-N 3.35Å; N141-E144 PolarHBondContact O-N 3.47Å; N141-D145 WeakPolarHBondContact O-CB 3.29Å; N141-D145 PolarHBondContact O-N 3.05Å
142V76Confident82.4Confident82 Ų82106.9 Ų106.950%0.49754%0.541SS..Hα-helixtrans-63.8-40.2177173.20000110.8N138 K139 E140 V146N138-V142 VanDerWaalsContact O-CG2 3.29Å; N138-V142 WeakPolarHBondContact O-CG2 3.32Å; N138-V142 PolarHBondContact O-N 3.06Å; N138-V142 VanDerWaalsContact O-N 3.13Å; K139-V142 PolarHBondContact O-N 3.32Å; E140-V142 PolarHBondContact O-N 3.46Å; V142-V146 HydrophobicContact CG1-CG2 4.47Å; V142-V146 WeakPolarHBondContact O-CB 3.44Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.46Å
143V72.3Confident81.9Confident62 Ų62107.7 Ų107.738%0.37654%0.538SS..Hα-helixtrans-68-38.31781710000111.5K139 E140 N141 R147K139-V143 VanDerWaalsContact O-CG2 3.23Å; K139-V143 WeakPolarHBondContact O-CG2 3.46Å; K139-V143 PolarHBondContact O-N 2.95Å; E140-V143 PolarHBondContact O-N 3.13Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-V143 PolarHBondContact O-N 3.35Å; V143-R147 HydrophobicContact CG1-CG 4.44Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CB 3.15Å; V143-R147 WeakPolarHBondContact O-CD 3.45Å; V143-R147 WeakPolarHBondContact O-CG 3.48Å; V143-R147 PolarHBondContact O-N 2.86Å
144E71.1Confident81.6Confident136 Ų136106.9 Ų106.964%0.63653%0.534SS*.Hα-helixtrans-65.7-44.1176.3-171.4172.1-174.300111.9E140 N141 R147 A148E140-E144 PolarHBondContact O-N 2.97Å; N141-E144 PolarHBondContact O-N 3.47Å; E144-R147 PolarHBondContact O-N 3.03Å; E144-A148 WeakPolarHBondContact O-CB 3.22Å; E144-A148 PolarHBondContact O-N 3.19Å
145D74.4Confident81.3Confident120 Ų120113 Ų11364%0.64254%0.544SS*.Hα-helixtrans-65.5-43.1179.1-161.424000111.8N141 R147 A148 S149N141-D145 WeakPolarHBondContact O-CB 3.29Å; N141-D145 PolarHBondContact O-N 3.05Å; D145-R147 PolarHBondContact O-N 3.04Å; D145-A148 PolarHBondContact O-N 3.44Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.99Å
146V77.5Confident81.2Confident80 Ų80115.5 Ų115.549%0.48555%0.549SS..Hα-helixtrans-62.2-42.7173.41720000111.3V142 S149 L150V142-V146 HydrophobicContact CG1-CG2 4.47Å; V142-V146 WeakPolarHBondContact O-CB 3.44Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.46Å; V146-S149 PolarHBondContact O-N 3.26Å; V146-L150 HydrophobicContact CG1-CD1 4.24Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.44Å
147R72.7Confident81.2Confident151 Ų151113.5 Ų113.557%0.5755%0.545SS*.Hα-helixtrans-64-45.3176.8-76.4171.3-175.6173.14.8111.2V143 E144 D145 S149 L150 Y151V143-R147 HydrophobicContact CG1-CG 4.44Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CB 3.15Å; V143-R147 WeakPolarHBondContact O-CD 3.45Å; V143-R147 WeakPolarHBondContact O-CG 3.48Å; V143-R147 PolarHBondContact O-N 2.86Å; E144-R147 PolarHBondContact O-N 3.03Å; D145-R147 PolarHBondContact O-N 3.04Å; R147-S149 VanDerWaalsContact C-N 3.33Å; R147-S149 PolarHBondContact O-N 3.34Å; R147-L150 PolarHBondContact O-N 3.35Å; R147-Y151 HydrophobicContact CB-CD2 4.46Å; R147-Y151 HydrophobicContact CB-CE2 4.26Å; R147-Y151 WeakPolarHBondContact O-CD2 3.5Å; R147-Y151 PolarHBondContact O-N 2.96Å
148A75.1Confident81.4Confident40 Ų40111.2 Ų111.233%0.33154%0.542SS..Hα-helixtrans-58.6-44.9177.500000111.4E144 D145 L150 Y151 Q152E144-A148 WeakPolarHBondContact O-CB 3.22Å; E144-A148 PolarHBondContact O-N 3.19Å; D145-A148 PolarHBondContact O-N 3.44Å; A148-L150 PolarHBondContact O-N 2.93Å; A148-Y151 PolarHBondContact O-N 2.93Å; A148-Q152 WeakPolarHBondContact O-CB 2.99Å; A148-Q152 VanDerWaalsContact O-CG 3.26Å; A148-Q152 WeakPolarHBondContact O-CG 3.39Å; A148-Q152 PolarHBondContact O-N 3.4Å
149S82.9Confident81.8Confident67 Ų67111.2 Ų111.247%0.46954%0.541SS..Hα-helixtrans-60.6-42.5175.8-173.40000112.5D145 V146 R147 Q152 R153D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.99Å; V146-S149 PolarHBondContact O-N 3.26Å; R147-S149 VanDerWaalsContact C-N 3.33Å; R147-S149 PolarHBondContact O-N 3.34Å; S149-Q152 PolarHBondContact O-N 2.83Å; S149-R153 WeakPolarHBondContact O-CB 3.41Å; S149-R153 PolarHBondContact O-N 2.96Å
150L86.3Confident82Confident106 Ų106108.2 Ų108.256%0.55553%0.531SS*.Hα-helixtrans-64.7-42.3176.4-72.8173.5000112.5V146 R147 A148 R153 Q154V146-L150 HydrophobicContact CG1-CD1 4.24Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.44Å; R147-L150 PolarHBondContact O-N 3.35Å; A148-L150 PolarHBondContact O-N 2.93Å; L150-R153 PolarHBondContact O-N 3.21Å; L150-Q154 WeakPolarHBondContact O-CB 3.26Å; L150-Q154 PolarHBondContact O-N 3.47Å
151Y83.7Confident82.6Confident160 Ų160104.8 Ų104.863%0.62752%0.523SS*.Hα-helixtrans-64.5-41.6175.8-76.1-65.5000112.2R147 A148 R153 Q154 R155R147-Y151 HydrophobicContact CB-CD2 4.46Å; R147-Y151 HydrophobicContact CB-CE2 4.26Å; R147-Y151 WeakPolarHBondContact O-CD2 3.5Å; R147-Y151 PolarHBondContact O-N 2.96Å; A148-Y151 PolarHBondContact O-N 2.93Å; Y151-R153 VanDerWaalsContact C-N 3.34Å; Y151-Q154 PolarHBondContact O-N 2.9Å; Y151-R155 WeakPolarHBondContact O-CB 3.47Å; Y151-R155 PolarHBondContact O-N 2.85Å
152Q86.5Confident83.4Confident137 Ų137104.4 Ų104.464%0.6452%0.521SS*.Hα-helixtrans-61-45.5175.6-74.6173-1000111.1A148 S149 R155 M156A148-Q152 WeakPolarHBondContact O-CB 2.99Å; A148-Q152 VanDerWaalsContact O-CG 3.26Å; A148-Q152 WeakPolarHBondContact O-CG 3.39Å; A148-Q152 PolarHBondContact O-N 3.4Å; S149-Q152 PolarHBondContact O-N 2.83Å; Q152-R155 PolarHBondContact O-N 3.34Å; Q152-M156 WeakPolarHBondContact O-CB 3.42Å; Q152-M156 PolarHBondContact O-N 3.44Å
153R85.5Confident84Confident167 Ų167105 Ų10563%0.6352%0.521SS*.Hα-helixtrans-61.7-48.3176.8-174.7168.8177.9169-1.1111.8S149 L150 Y151 R155 M156 D157S149-R153 WeakPolarHBondContact O-CB 3.41Å; S149-R153 PolarHBondContact O-N 2.96Å; L150-R153 PolarHBondContact O-N 3.21Å; Y151-R153 VanDerWaalsContact C-N 3.34Å; R153-R155 VanDerWaalsContact C-N 3.29Å; R153-R155 PolarHBondContact O-N 3.38Å; R153-M156 WeakPolarHBondContact O-CB 3.33Å; R153-M156 PolarHBondContact O-N 2.93Å; R153-D157 VanDerWaalsContact O-CG 3.32Å; R153-D157 PolarHBondContact O-N 3.32Å
154Q88.2Confident84.5Confident129 Ų129105.3 Ų105.360%0.60352%0.523SS*.Hα-helixtrans-60.9-38.8178.7-171.9172.619.400112.5L150 Y151 T158L150-Q154 WeakPolarHBondContact O-CB 3.26Å; L150-Q154 PolarHBondContact O-N 3.47Å; Y151-Q154 PolarHBondContact O-N 2.9Å; Q154-T158 PolarHBondContact O-N 3.37Å; Q154-T158 VanDerWaalsContact O-N 3.12Å; Q154-T158 PolarHBondContact O-OG1 3.12Å
155R88.1Confident85.1Confident186 Ų186105 Ų10570%0.70253%0.526SS*.Hα-helixtrans-68.8-42.6176.2-175.5175.5176.4147.7-0.3112Y151 Q152 R153 T158 L159Y151-R155 WeakPolarHBondContact O-CB 3.47Å; Y151-R155 PolarHBondContact O-N 2.85Å; Q152-R155 PolarHBondContact O-N 3.34Å; R153-R155 VanDerWaalsContact C-N 3.29Å; R153-R155 PolarHBondContact O-N 3.38Å; R155-T158 PolarHBondContact O-N 3.36Å; R155-L159 HydrophobicContact CG-CD1 4.38Å; R155-L159 WeakPolarHBondContact O-CG 3.36Å; R155-L159 PolarHBondContact O-N 2.96Å
156M89.7Confident85.8Confident104 Ų104106 Ų10651%0.51252%0.524SS..Hα-helixtrans-59.3-48.2174.9-177.2-172.276.900110.6Q152 R153 T158 L159 I160Q152-M156 WeakPolarHBondContact O-CB 3.42Å; Q152-M156 PolarHBondContact O-N 3.44Å; R153-M156 WeakPolarHBondContact O-CB 3.33Å; R153-M156 PolarHBondContact O-N 2.93Å; M156-T158 VanDerWaalsContact C-N 3.27Å; M156-T158 PolarHBondContact O-N 3.07Å; M156-L159 WeakPolarHBondContact O-CB 3.47Å; M156-L159 PolarHBondContact O-N 3.44Å; M156-I160 HydrophobicContact CG-CG1 4.33Å; M156-I160 WeakPolarHBondContact O-CG1 3.35Å; M156-I160 PolarHBondContact O-N 3.21Å
157D90.8Very high86.1Confident87 Ų87109 Ų10947%0.46553%0.531SS..Hα-helixtrans-61.3-38-179.4-69.5-23.3000111.7R153 I160 G161R153-D157 VanDerWaalsContact O-CG 3.32Å; R153-D157 PolarHBondContact O-N 3.32Å; D157-I160 PolarHBondContact O-N 2.91Å; D157-G161 PolarHBondContact O-N 2.9Å
158T91.7Very high86.4Confident82 Ų82106.6 Ų106.650%0.50354%0.535SS..Hα-helixtrans-64.2-43.3174.4-54.40000111.3Q154 R155 M156 G161 D162Q154-T158 PolarHBondContact O-N 3.37Å; Q154-T158 VanDerWaalsContact O-N 3.12Å; Q154-T158 PolarHBondContact O-OG1 3.12Å; R155-T158 PolarHBondContact O-N 3.36Å; M156-T158 VanDerWaalsContact C-N 3.27Å; M156-T158 PolarHBondContact O-N 3.07Å; T158-G161 PolarHBondContact O-N 2.86Å; T158-D162 PolarHBondContact O-N 3.32Å
159L92.4Very high86.4Confident103 Ų103111.2 Ų111.254%0.53955%0.553SS.*Hα-helixtrans-66.4-38.5177.5-71.7170.6000112.8R155 M156 D162 L163R155-L159 HydrophobicContact CG-CD1 4.38Å; R155-L159 WeakPolarHBondContact O-CG 3.36Å; R155-L159 PolarHBondContact O-N 2.96Å; M156-L159 WeakPolarHBondContact O-CB 3.47Å; M156-L159 PolarHBondContact O-N 3.44Å; L159-D162 PolarHBondContact O-N 2.92Å; L159-L163 WeakPolarHBondContact O-CB 3.22Å; L159-L163 PolarHBondContact O-N 3.34Å
160I86.2Confident86Confident90 Ų90113.6 Ų113.646%0.46257%0.567SS.*Hα-helixtrans-64.9-44174.8-65.3-62.5000109.9M156 D157 D162 L163 V164M156-I160 HydrophobicContact CG-CG1 4.33Å; M156-I160 WeakPolarHBondContact O-CG1 3.35Å; M156-I160 PolarHBondContact O-N 3.21Å; D157-I160 PolarHBondContact O-N 2.91Å; I160-D162 VanDerWaalsContact C-N 3.34Å; I160-D162 PolarHBondContact O-N 3.37Å; I160-L163 PolarHBondContact O-N 2.95Å; I160-V164 HydrophobicContact CG2-CG2 4.21Å; I160-V164 WeakPolarHBondContact O-CB 3.27Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.45Å; I160-V164 PolarHBondContact O-N 3.45Å
161G87.8Confident85.1Confident30 Ų30117.1 Ų117.131%0.30958%0.583SS.*Hα-helixtrans-57.2-46.9173.400000112.1D157 T158 L163 V164 N165D157-G161 PolarHBondContact O-N 2.9Å; T158-G161 PolarHBondContact O-N 2.86Å; G161-L163 VanDerWaalsContact C-N 3.32Å; G161-L163 PolarHBondContact O-N 3.07Å; G161-V164 PolarHBondContact O-N 2.85Å; G161-N165 VanDerWaalsContact O-CB 3.29Å; G161-N165 WeakPolarHBondContact O-CB 3.43Å; G161-N165 PolarHBondContact O-N 3.02Å; G161-N165 PolarHBondContact O-ND2 3.45Å; G161-N165 VanDerWaalsContact O-ND2 3.11Å
162D92.4Very high83.9Confident74 Ų74117.5 Ų117.540%0.39660%0.595SS.*Hα-helixtrans-62.6-37175.9-80.6-5.4000112.9T158 L159 I160 K166T158-D162 PolarHBondContact O-N 3.32Å; L159-D162 PolarHBondContact O-N 2.92Å; I160-D162 VanDerWaalsContact C-N 3.34Å; I160-D162 PolarHBondContact O-N 3.37Å; D162-K166 WeakPolarHBondContact O-CB 3.29Å; D162-K166 WeakPolarHBondContact O-CE 3.47Å; D162-K166 WeakPolarHBondContact O-CG 3.36Å; D162-K166 PolarHBondContact O-N 3.26Å
163L88.4Confident82.3Confident94 Ų94119.3 Ų119.349%0.49260%0.603SS.*Hα-helixtrans-70.6-46.1178.4-173.869.5000111.4L159 I160 G161 N165 K166 F167L159-L163 WeakPolarHBondContact O-CB 3.22Å; L159-L163 PolarHBondContact O-N 3.34Å; I160-L163 PolarHBondContact O-N 2.95Å; G161-L163 VanDerWaalsContact C-N 3.32Å; G161-L163 PolarHBondContact O-N 3.07Å; L163-N165 VanDerWaalsContact C-N 3.26Å; L163-N165 PolarHBondContact O-N 3.18Å; L163-K166 PolarHBondContact O-N 3.11Å; L163-K166 VanDerWaalsContact O-N 3.12Å; L163-F167 HydrophobicContact CD1-CD2 3.82Å; L163-F167 HydrophobicContact CD1-CE2 4.1Å; L163-F167 PolarHBondContact O-N 2.9Å
164V83.7Confident80.7Confident68 Ų68120.4 Ų120.441%0.41262%0.616SS.*Hα-helixtrans-61.4-38.3175.9171.60000110.5I160 G161 F167 P168I160-V164 HydrophobicContact CG2-CG2 4.21Å; I160-V164 WeakPolarHBondContact O-CB 3.27Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.45Å; I160-V164 PolarHBondContact O-N 3.45Å; G161-V164 PolarHBondContact O-N 2.85Å; V164-F167 CarbonylContact O-C 3.46Å; V164-P168 WeakPolarHBondContact O-CA 3.38Å
165N83.4Confident78.9Confident130 Ų130121 Ų12170%0.69563%0.627SS**Hα-helixtrans-68.7-33.3175.4-72.5-26000112.7G161 L163G161-N165 VanDerWaalsContact O-CB 3.29Å; G161-N165 WeakPolarHBondContact O-CB 3.43Å; G161-N165 PolarHBondContact O-N 3.02Å; G161-N165 PolarHBondContact O-ND2 3.45Å; G161-N165 VanDerWaalsContact O-ND2 3.11Å; L163-N165 VanDerWaalsContact C-N 3.26Å; L163-N165 PolarHBondContact O-N 3.18Å
166K88.8Confident76.7Confident141 Ų141114.6 Ų114.661%0.61362%0.62SS**Hα-helixtrans-77.7-35.2177.3-74.7174.7-137.4-63.30112.8D162 L163D162-K166 WeakPolarHBondContact O-CB 3.29Å; D162-K166 WeakPolarHBondContact O-CE 3.47Å; D162-K166 WeakPolarHBondContact O-CG 3.36Å; D162-K166 PolarHBondContact O-N 3.26Å; L163-K166 PolarHBondContact O-N 3.11Å; L163-K166 VanDerWaalsContact O-N 3.12Å
167F84.7Confident74.5Confident144 Ų144117.7 Ų117.763%0.63264%0.638SS**SBendtrans-125.679.7178.9-60.4-81000108.3L163 V164 L169L163-F167 HydrophobicContact CD1-CD2 3.82Å; L163-F167 HydrophobicContact CD1-CE2 4.1Å; L163-F167 PolarHBondContact O-N 2.9Å; V164-F167 CarbonylContact O-C 3.46Å; F167-L169 PolarHBondContact O-N 3.41Å; F167-L169 VanDerWaalsContact O-N 3.12Å
168P79Confident72.2Confident100 Ų100122.3 Ų122.365%0.64966%0.659SS**PPolyproline II helixtrans-57.2123.817623.7-32.2000108.1V164V164-P168 WeakPolarHBondContact O-CA 3.38Å
169L74.4Confident69.7Low137 Ų137125.3 Ų125.372%0.71767%0.673SS**PPolyproline II helixtrans-55.9127.8177-68.6165.6000107.3F167 M171F167-L169 PolarHBondContact O-N 3.41Å; F167-L169 VanDerWaalsContact O-N 3.12Å; L169-M171 PolarHBondContact O-N 3.04Å
170P75.2Confident67Low116 Ų116125.1 Ų125.175%0.75368%0.68SS**PPolyproline II helixtrans-49.2120.8170.4-24.633.5000106.9L172P170-L172 PolarHBondContact O-N 2.87Å
171M65.7Low64.7Low180 Ų180129.4 Ų129.489%0.88770%0.7SS**  trans-52.8115.5175.9-76.1-127.5148.600105.9L169 E173L169-M171 PolarHBondContact O-N 3.04Å; M171-E173 PolarHBondContact O-N 3.39Å
172L58.7Low62.2Low168 Ų168136.9 Ų136.988%0.8873%0.727SS**  trans-61.6100.2172-74.2170.7000104.3P170 E174P170-L172 PolarHBondContact O-N 2.87Å; L172-E174 PolarHBondContact O-N 3.12Å; L172-E174 VanDerWaalsContact O-N 3.07Å
173E53.7Low59.5Low175 Ų175143.3 Ų143.382%0.81875%0.751SS**  trans-49.4119.3168.9-71.5171.4166.200105.6M171 V175M171-E173 PolarHBondContact O-N 3.39Å; E173-V175 VanDerWaalsContact C-N 3.29Å; E173-V175 PolarHBondContact O-N 3.44Å
174E52Low56.8Low191 Ų191148 Ų14889%0.89377%0.77SS**  trans-54.596.2178.3-64.3-178.4167.500107.4L172 G176L172-E174 PolarHBondContact O-N 3.12Å; L172-E174 VanDerWaalsContact O-N 3.07Å; E174-G176 PolarHBondContact O-N 3.12Å
175V49.3Very low54.3Low140 Ų140149.8 Ų149.885%0.84879%0.786SS**  trans-71.397.7167.8179.60000104.5E173E173-V175 VanDerWaalsContact C-N 3.29Å; E173-V175 PolarHBondContact O-N 3.44Å
176G43.3Very low52Low53 Ų53149.5 Ų149.555%0.54679%0.791SS.*  trans-49.113818000000111.6E174 M178E174-G176 PolarHBondContact O-N 3.12Å; G176-M178 PolarHBondContact O-N 3.42Å; G176-M178 VanDerWaalsContact O-N 3.1Å
177D42.8Very low49.4Very low168 Ų168152.1 Ų152.190%0.89880%0.803SS**  trans22.877.4151.3-68.5-27000115.4
178M42.6Very low46.8Very low184 Ų184155.1 Ų155.191%0.90682%0.816SS**  trans-107.193.1149.1-89.5-170.868.100109.3G176G176-M178 PolarHBondContact O-N 3.42Å; G176-M178 VanDerWaalsContact O-N 3.1Å
179D39Very low44.7Very low146 Ų146156.8 Ų156.878%0.78182%0.824SS**  trans-45.7151.8163.6-157.71.2000112.7
180S36Very low42.7Very low98 Ų98154.5 Ų154.569%0.68582%0.824SS**  trans68.597.6169.771.40000119
181M37.6Very low40.5Very low180 Ų180154.2 Ų154.289%0.88783%0.825SS**  -176.6113.7112.1-97.8-180-176.700111.3
182E36Very low39Very low187 Ų187149.8 Ų149.887%0.87482%0.817SS**  trans42.2107.9145.4-65.2-176.7155.100120.6E184E182-E184 PolarHBondContact O-N 2.86Å
183K35Very low37.7Very low210 Ų210149.7 Ų149.791%0.91382%0.818SS**  trans-18.3117.1149-63.2173.9179174.70115.3
184E32.9Very low37Very low191 Ų191147.1 Ų147.189%0.89381%0.814SS**  trans-142.889.6133.5-147.7175.7-167.300109.5E182 P186E182-E184 PolarHBondContact O-N 2.86Å; E184-P186 WeakPolarHBondContact O-CD 3.37Å
185S30.3Very low35.9Very low106 Ų106145.7 Ų145.774%0.74181%0.812SS**PPolyproline II helixtrans-68.6119.5174.944.10000110.3
186P36.1Very low34.9Very low124 Ų124146.1 Ų146.181%0.80581%0.81SS**PPolyproline II helixtrans-73.9135.5171.326.6-23.4000109.4E184 K188E184-P186 WeakPolarHBondContact O-CD 3.37Å; P186-K188 PolarHBondContact O-N 3.43Å
187K32.8Very low34.4Very low197 Ų197152.2 Ų152.286%0.85783%0.829SS**PPolyproline II helixtrans-50.1118.8-172.8-68.5171177.1171.90112.4V189K187-V189 PolarHBondContact O-N 2.9Å; K187-V189 VanDerWaalsContact O-N 3.07Å
188K31.7Very low33.8Very low207 Ų207153.4 Ų153.490%0.983%0.826SS**  trans-64.498166.4-145-178.4-169.9-174.10108.3P186 A190P186-K188 PolarHBondContact O-N 3.43Å; K188-A190 PolarHBondContact O-N 3.01Å
189V33Very low33.3Very low134 Ų134154.1 Ų154.181%0.81283%0.827SS**  trans-85.1103.2169.7-1780000107.9K187K187-V189 PolarHBondContact O-N 2.9Å; K187-V189 VanDerWaalsContact O-N 3.07Å
190A32.4Very low32.8Very low89 Ų89153.2 Ų153.274%0.73683%0.832SS**  trans16.699.6157.700000117.6K188K188-A190 PolarHBondContact O-N 3.01Å
191S29.8Very low32.4Very low110 Ų110151.8 Ų151.877%0.76983%0.833SS**  trans-80.7116.314332.60000106.8D193S191-D193 PolarHBondContact O-N 2.76Å
192A34.2Very low32Very low87 Ų87152.7 Ų152.772%0.71983%0.832SS**  trans-67.6118.8173.700000109.1V194A192-V194 VanDerWaalsContact C-N 3.31Å; A192-V194 PolarHBondContact O-N 3.07Å
193D32.1Very low31.8Very low166 Ų166155 Ų15589%0.88883%0.833SS**  trans-64.688.3167.2-78.9-43.8000109.6S191S191-D193 PolarHBondContact O-N 2.76Å
194V38.2Very low31.9Very low122 Ų122153.6 Ų153.674%0.73983%0.829SS**  trans-103.272.9162.2-173.70000106.9A192A192-V194 VanDerWaalsContact C-N 3.31Å; A192-V194 PolarHBondContact O-N 3.07Å
195N30.1Very low32Very low161 Ų161152.5 Ų152.586%0.86183%0.83SS**  trans-160.164.2166.8-89.3-29.7000109.9
196N26.7Very low32.3Very low149 Ų149155.5 Ų155.580%0.79784%0.838SS**  trans-137.563.2160.2-152.211.5000110.1
197L33.3Very low32.4Very low180 Ų180158 Ų15894%0.94284%0.838SS**  trans-131.274.8158.1-90.7100.2000107.9
198K30.2Very low32.6Very low194 Ų194157.2 Ų157.284%0.84384%0.838SS**  trans-140.9134.6158.3-117.6178.9179179.20107.2
199E31.9Very low33Very low198 Ų198156 Ų15693%0.92584%0.836SS**  trans82.464.5177.2-60.4-174.6140.500117.4
200S29.2Very low33.5Very low128 Ų128158.8 Ų158.890%0.89584%0.837SS**  -117.4101128.951.20000107.7
201G27.2Very low34Very low68 Ų68161.9 Ų161.970%0.70184%0.84SS**  trans-81.2160.1171.800000111.8
202K28.8Very low34.7Very low198 Ų198161.7 Ų161.786%0.86184%0.838SS**  trans78.9136161.7-79174.8168.3172.70117.8
203R32.4Very low35.3Very low237 Ų237163 Ų16389%0.89484%0.842SS**  trans89.399.3175.4-49.6167-159.2-150.55.3108.7
204E36.8Very low36.1Very low179 Ų179164.6 Ų164.684%0.83684%0.841SS**  -172.725.185.2-91.5174.6177.500114.8D206E204-D206 VanDerWaalsContact C-N 3.33Å; E204-D206 PolarHBondContact O-N 2.79Å
205D34.8Very low36.3Very low169 Ų169169.9 Ų169.990%0.90485%0.848SS**THydrogen-bonded Turntrans-85.920.8-172.8-65.5-21000116.4
206D37.1Very low37Very low169 Ų169170 Ų17090%0.90485%0.848SS**THydrogen-bonded Turntrans-98.64-177.5-81.9-26.1000115.7E204E204-D206 VanDerWaalsContact C-N 3.33Å; E204-D206 PolarHBondContact O-N 2.79Å
207E38.3Very low37.7Very low175 Ų175172.9 Ų172.982%0.81885%0.853SS**SBendtrans-103.9-16.6-175.2-77.6-124.7131.100117.5
208E36Very low38.2Very low182 Ų182173.4 Ų173.485%0.8587%0.872SS**G310 helixtrans-90.4-9.6-173-77.9-163.2153.200116.6K210E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.1Å
209Q40.9Very low38.7Very low182 Ų182172.4 Ų172.485%0.8587%0.874SS**G310 helixtrans-83.1-2.6177.3-77.9-166.3-13.100115.1
210K43Very low39Very low192 Ų192171.1 Ų171.184%0.83587%0.871SS**G310 helixtrans-86.5-6.3-178.5-130.7177.3-1731770115.6E208E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.1Å
211L43.3Very low39.6Very low154 Ų154173.4 Ų173.481%0.80687%0.869SS**SBendtrans-99.3-16.9-178.9-84.3150.2000114.8
212S43.6Very low40.3Very low105 Ų105179.6 Ų179.673%0.73488%0.879SS**G310 helixtrans-84.5-23.5-176.3-161.80000114.5K214S212-K214 PolarHBondContact O-N 2.89Å
213S47.8Very low41Very low115 Ų115178.5 Ų178.580%0.80488%0.88SS**G310 helixtrans-85.54.2-176.9-62.40000116.1
214K48.4Very low41.6Very low200 Ų200174.6 Ų174.687%0.8788%0.88SS**G310 helixtrans-99.53.7179.2-96-173.2179-178.60116S212S212-K214 PolarHBondContact O-N 2.89Å
215R42.2Very low41.9Very low232 Ų232174.3 Ų174.388%0.87588%0.883SS**SBendtrans-113.512.2-175.5-136.2177.5-176.4-1770.3117.2
216L44.3Very low42.5Very low163 Ų163174.7 Ų174.785%0.85388%0.881SS**SBendtrans-139.467.3175.5-75.6157.2000110.3
217K42.1Very low42.9Very low211 Ų211175.2 Ų175.292%0.91788%0.879SS**  trans-175.661.9160.2-102.2168.7-167.6-176.10109.7
218S45.2Very low43.3Very low191 Ų191175.2 Ų175.2100%1.33689%0.885SS**  trans-173.20147.1-171.70000109.3

Retrieved 218 of 218 residues in 292.7 ms (Link to these results)