A0A087XZB3_POEFO Loading...

Adenylate kinase isoenzyme 1

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Also displays broad nucleoside diphosphate kinase activity. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism. Also catalyzes at a very low rate the synthesis of thiamine triphosphate (ThTP) from thiamine diphosphate (ThDP) and ADP.

AlphaFold DB , UniProt , Accession A0A087XZB3, Species POEFO (Poecilia formosa, Amazon molly), Gene AK1, Length 209 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
1K44.8Very low42.3Very low260 Ų260158.9 Ų158.9100%1.1385%0.852SS**  0900-81.7-179.1174.8-179.80109.9
2K39.7Very low42.6Very low207 Ų207162.8 Ų162.890%0.986%0.856SS**  trans-148.2102.4157.4-84.3-167.6178.2177.60106.8
3T41.7Very low43Very low138 Ų138165.9 Ų165.985%0.84786%0.858SS**  trans-84.7112.3175.2-49.60000106.9C5T3-C5 PolarHBondContact O-N 3.44Å
4L42.3Very low43.5Very low169 Ų169160.9 Ų160.989%0.88585%0.853SS**  trans-80.5109.4166.1-118.886000107.4S6L4-S6 PolarHBondContact O-N 3.24Å
5C41.6Very low44.4Very low119 Ų119155.4 Ų155.480%0.80483%0.833SS**  trans-79.3111169.6-1620000107.5T3 A7T3-C5 PolarHBondContact O-N 3.44Å; C5-A7 PolarHBondContact O-N 3.47Å
6S39.9Very low45.9Very low107 Ų107150.6 Ų150.675%0.74881%0.811SS**  trans-76.9105.4171.960.80000109.1L4 T8L4-S6 PolarHBondContact O-N 3.24Å; S6-T8 PolarHBondContact O-N 3.05Å
7A47Very low47.2Very low88 Ų88146.2 Ų146.273%0.72780%0.795SS**  trans-78.8100.3167.500000108.4C5 L9C5-A7 PolarHBondContact O-N 3.47Å; A7-L9 PolarHBondContact O-N 3.27Å
8T41.3Very low48.5Very low124 Ų124142.8 Ų142.876%0.76177%0.772SS**  trans-7394.7169.7-40.30000108.5S6 K10S6-T8 PolarHBondContact O-N 3.05Å; T8-K10 PolarHBondContact O-N 3.02Å
9L41.4Very low50.1Low156 Ų156139.5 Ų139.582%0.81775%0.754SS**  trans-61.1103.3165.4-89.5132.2000108.6A7 M11A7-L9 PolarHBondContact O-N 3.27Å; L9-M11 PolarHBondContact O-N 3.17Å
10K44.1Very low51.7Low199 Ų199137.1 Ų137.187%0.86574%0.736SS**  trans-63.5103.1164.5-81-177.5176.1178.40107.8T8 K12T8-K10 PolarHBondContact O-N 3.02Å; K10-K12 PolarHBondContact O-N 3.02Å; K10-K12 VanDerWaalsContact O-N 3.17Å
11M41.2Very low53.6Low181 Ų181130.6 Ų130.689%0.89270%0.702SS**PPolyproline II helixtrans-60.7116.6166.4-64.9-150.6-61.900108.5L9 K13L9-M11 PolarHBondContact O-N 3.17Å; M11-K13 PolarHBondContact O-N 3.26Å
12K46.3Very low55.4Low206 Ų206125.1 Ų125.190%0.89668%0.678SS**PPolyproline II helixtrans-61.1118.8166.7-81.7179.5172.3-179.20107.2K10 A14K10-K12 PolarHBondContact O-N 3.02Å; K10-K12 VanDerWaalsContact O-N 3.17Å; K12-A14 PolarHBondContact O-N 3.23Å
13K47.4Very low57.6Low203 Ų203122.4 Ų122.488%0.88367%0.673SS**PPolyproline II helixtrans-52.7127.5166.9-90.6-178.1172.4-178.80107.7M11 S15M11-K13 PolarHBondContact O-N 3.26Å; K13-S15 PolarHBondContact O-N 3.47Å
14A51.1Low60.1Low95 Ų95117.2 Ų117.279%0.78564%0.644SS**PPolyproline II helixtrans-57124.3169.500000107.9K12 T16K12-A14 PolarHBondContact O-N 3.23Å; A14-T16 PolarHBondContact O-N 2.9Å
15S56.3Low62.7Low79 Ų79113.7 Ų113.755%0.55262%0.621SS**PPolyproline II helixtrans-64127.6176.369.20000108K13K13-S15 PolarHBondContact O-N 3.47Å
16T67.9Low65.4Low79 Ų79108.1 Ų108.149%0.48558%0.584SS.*PPolyproline II helixtrans-63.8154.117364.10000109.4A14 Q18 D19A14-T16 PolarHBondContact O-N 2.9Å; T16-Q18 PolarHBondContact O-N 2.84Å; T16-D19 PolarHBondContact N-OD2 3.18Å; T16-D19 WeakPolarHBondContact O-CB 3.4Å; T16-D19 PolarHBondContact O-N 3.34Å; T16-D19 PolarHBondContact OG1-N 2.99Å; T16-D19 PolarHBondContact OG1-OD2 3.34Å
17S68.6Low68.2Low76 Ų76103 Ų10353%0.53155%0.548SS..THydrogen-bonded Turntrans-54.6-25.3177.5-430000112.7
18Q70.5Confident70.7Confident85 Ų8598.9 Ų98.940%0.39751%0.514SS..THydrogen-bonded Turntrans-78.4-26.9178.6-154.8158-12.400113T16 K20 I21 K93 K124T16-Q18 PolarHBondContact O-N 2.84Å; Q18-K20 PolarHBondContact O-N 3.24Å; Q18-I21 PolarHBondContact O-N 2.76Å; Q18-K93 VanDerWaalsContact NE2-NZ 3.19Å; Q18-K124 PolarHBondContact NE2-O 3.42Å
19D78.9Confident73.4Confident79 Ų7993 Ų9342%0.42248%0.477SS..G310 helixtrans-65.3-25.5174.5-65.6-45.8000111.7T16 I21T16-D19 PolarHBondContact N-OD2 3.18Å; T16-D19 WeakPolarHBondContact O-CB 3.4Å; T16-D19 PolarHBondContact O-N 3.34Å; T16-D19 PolarHBondContact OG1-N 2.99Å; T16-D19 PolarHBondContact OG1-OD2 3.34Å; D19-I21 VanDerWaalsContact C-N 3.26Å; D19-I21 PolarHBondContact O-N 2.99Å
20K82.9Confident76.1Confident92 Ų9285.6 Ų85.640%0.444%0.439SS..G310 helixtrans-65.8-25-179-65-167168.8-156.20114.4Q18 A100 D101Q18-K20 PolarHBondContact O-N 3.24Å; K20-A100 HydrophobicContact CB-CB 3.72Å; K20-A100 HydrophobicContact CD-CB 4.34Å; K20-D101 VanDerWaalsContact NZ-CG 3.3Å; K20-D101 IonicContact NZ-OD1 2.68Å; K20-D101 PolarHBondContact NZ-OD1 3.2Å; K20-D101 IonicContact NZ-OD2 2.81Å; K20-D101 PolarHBondContact NZ-OD2 2.85Å
21I89.9Confident78.7Confident1 Ų176.5 Ų76.51%0.00540%0.402CS..G310 helixtrans-113.60.9-173.762.8174.4000113.3Q18 D19 D23 A24 K93 M96 I97 A100 I125Q18-I21 PolarHBondContact O-N 2.76Å; D19-I21 VanDerWaalsContact C-N 3.26Å; D19-I21 PolarHBondContact O-N 2.99Å; I21-D23 VanDerWaalsContact C-N 3.32Å; I21-D23 PolarHBondContact O-N 3.24Å; I21-A24 WeakPolarHBondContact O-CB 3.44Å; I21-A24 PolarHBondContact O-N 3.32Å; I21-K93 HydrophobicContact CD1-CG 4.44Å; I21-M96 HydrophobicContact CB-CE 4.4Å; I21-M96 HydrophobicContact CD1-CB 4.28Å; I21-M96 HydrophobicContact CD1-CE 4.36Å; I21-M96 HydrophobicContact CG2-CB 4.17Å; I21-I97 HydrophobicContact CD1-CG1 3.97Å; I21-I97 HydrophobicContact CG2-CG1 4.32Å; I21-A100 HydrophobicContact CG2-CB 3.69Å; I21-I125 HydrophobicContact CD1-CG2 3.91Å
22K84Confident81.3Confident144 Ų14468 Ų6863%0.62636%0.36SS*.THydrogen-bonded Turntrans-61-38.2-173.1-173.7-177.6177-1740113.4
23D86Confident83.6Confident151 Ų15159 Ų5981%0.80732%0.322SS*.THydrogen-bonded Turntrans-105.815.3-177-56.8-42.8000112.3I21I21-D23 VanDerWaalsContact C-N 3.32Å; I21-D23 PolarHBondContact O-N 3.24Å
24A93.8Very high85.9Confident28 Ų2849.7 Ų49.723%0.23129%0.285CS..  trans-69138.3-178.400000111.3I21 I26 F106I21-A24 WeakPolarHBondContact O-CB 3.44Å; I21-A24 PolarHBondContact O-N 3.32Å; A24-I26 HydrophobicContact CB-CG1 4.44Å; A24-I26 PolarHBondContact O-N 2.62Å; A24-F106 HydrophobicContact CB-CD2 3.78Å; A24-F106 HydrophobicContact CB-CE2 3.8Å
25K96.9Very high88.1Confident95 Ų9545.2 Ų45.241%0.41325%0.247SC..  trans-66.5118.9167.5-69.5-170.5176.1-162.50108.7G105 F106K25-G105 CarbonylContact O-C 3.47Å; K25-G105 VanDerWaalsContact O-CA 3.26Å; K25-G105 WeakPolarHBondContact O-CA 3.33Å; K25-F106 PolarHBondContact O-N 3.4Å
26I98.6Very high90Very high3 Ų342.4 Ų42.42%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-119124.4-176.9-65160.1000108.9A24 F28 M96 I108 F121 I125 P128 C129A24-I26 HydrophobicContact CB-CG1 4.44Å; A24-I26 PolarHBondContact O-N 2.62Å; I26-F28 HydrophobicContact CG2-CD1 4.14Å; I26-F28 HydrophobicContact CG2-CE1 3.96Å; I26-M96 HydrophobicContact CD1-CE 3.96Å; I26-M96 HydrophobicContact CG1-CE 4.06Å; I26-I108 HydrophobicContact CG2-CG1 4.03Å; I26-F121 HydrophobicContact CD1-CE1 4.04Å; I26-F121 HydrophobicContact CD1-CZ 4.32Å; I26-F121 HydrophobicContact CG2-CE1 3.94Å; I26-F121 HydrophobicContact CG2-CZ 4.03Å; I26-I125 HydrophobicContact CD1-CG2 4.49Å; I26-P128 HydrophobicContact CG2-CB 4.3Å; I26-P128 CarbonylContact O-C 3.59Å; I26-P128 VanDerWaalsContact O-CA 3.27Å; I26-P128 WeakPolarHBondContact O-CA 3.4Å; I26-C129 PolarHBondContact O-N 3.42Å; I26-C129 PolarHBondContact O-SG 2.99Å
27I98.8Very high91.4Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-117.3121.2173.7-56.4-178.9000107.9V29 Y50 F106 L107 I108 L130 L132 I206 L209I27-V29 HydrophobicContact CG2-CG2 4.26Å; I27-Y50 HydrophobicContact CD1-CD2 4.35Å; I27-Y50 HydrophobicContact CD1-CE2 3.63Å; I27-Y50 HydrophobicContact CG1-CE2 4.14Å; I27-F106 PolarHBondContact N-O 3.11Å; I27-L107 HydrophobicContact CB-CD2 3.93Å; I27-L107 HydrophobicContact CD1-CD2 4.12Å; I27-L107 HydrophobicContact CG1-CD2 4.43Å; I27-L107 HydrophobicContact CG2-CD2 4.34Å; I27-L107 WeakPolarHBondContact O-CA 3.28Å; I27-I108 PolarHBondContact O-N 2.84Å; I27-L130 WeakPolarHBondContact CA-O 3.41Å; I27-L130 HydrophobicContact CD1-CD2 4.27Å; I27-L130 HydrophobicContact CG1-CB 4.13Å; I27-L130 HydrophobicContact CG2-CB 4.12Å; I27-L130 HydrophobicContact CG2-CD2 4.09Å; I27-L130 HydrophobicContact CG2-CG 4.32Å; I27-L132 HydrophobicContact CG2-CB 4.2Å; I27-I206 HydrophobicContact CD1-CD1 4.19Å; I27-I206 HydrophobicContact CD1-CG1 4.03Å; I27-L209 HydrophobicContact CD1-CD1 3.92Å; I27-L209 HydrophobicContact CG1-CD1 4.41Å
28F98.8Very high92.7Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-78.6132.7166.9-68.7-19000109.4I26 V30 I108 P112 F121 P128 L130 L131 L132 Y180I26-F28 HydrophobicContact CG2-CD1 4.14Å; I26-F28 HydrophobicContact CG2-CE1 3.96Å; F28-V30 HydrophobicContact CB-CG2 4.27Å; F28-I108 HydrophobicContact CD1-CB 3.92Å; F28-I108 HydrophobicContact CD1-CG1 4.06Å; F28-I108 HydrophobicContact CE1-CB 4.31Å; F28-I108 HydrophobicContact CE1-CG1 4.16Å; F28-P112 HydrophobicContact CD2-CG 3.98Å; F28-P112 HydrophobicContact CE2-CG 3.92Å; F28-F121 AromaticContact CE1-CD1 3.76Å; F28-F121 HydrophobicContact CE1-CD1 3.76Å; F28-F121 HydrophobicContact CE1-CD2 4.25Å; F28-F121 AromaticContact CE1-CE1 3.67Å; F28-F121 HydrophobicContact CE1-CE1 3.67Å; F28-F121 HydrophobicContact CE1-CE2 4.16Å; F28-F121 HydrophobicContact CE1-CG 4.07Å; F28-F121 AromaticContact CE1-CZ 3.89Å; F28-F121 HydrophobicContact CE1-CZ 3.89Å; F28-F121 HydrophobicContact CZ-CB 4.27Å; F28-F121 AromaticContact CZ-CD1 3.45Å; F28-F121 HydrophobicContact CZ-CD1 3.45Å; F28-F121 VanDerWaalsContact CZ-CD1 3.45Å; F28-F121 HydrophobicContact CZ-CD2 4.38Å; F28-F121 AromaticContact CZ-CE1 3.83Å; F28-F121 HydrophobicContact CZ-CE1 3.83Å; F28-F121 AromaticContact CZ-CG 3.78Å; F28-F121 HydrophobicContact CZ-CG 3.78Å; F28-F121 HydrophobicContact CZ-CZ 4.44Å; F28-P128 HydrophobicContact CD1-CB 4.27Å; F28-P128 HydrophobicContact CD2-CB 3.81Å; F28-P128 HydrophobicContact CD2-CG 3.69Å; F28-P128 HydrophobicContact CE1-CB 4.41Å; F28-P128 HydrophobicContact CE2-CB 3.95Å; F28-P128 HydrophobicContact CE2-CG 3.53Å; F28-P128 HydrophobicContact CG-CB 3.99Å; F28-P128 HydrophobicContact CG-CG 4.39Å; F28-P128 HydrophobicContact CZ-CB 4.26Å; F28-P128 HydrophobicContact CZ-CG 4.11Å; F28-L130 PolarHBondContact N-O 3.09Å; F28-L131 HydrophobicContact CB-CB 4.42Å; F28-L131 HydrophobicContact CB-CG 4.13Å; F28-L131 CarbonylContact O-C 3.5Å; F28-L131 WeakPolarHBondContact O-CA 3.29Å; F28-L132 PolarHBondContact O-N 3.17Å; F28-Y180 HydrophobicContact CD2-CE2 4.26Å; F28-Y180 HydrophobicContact CE2-CE2 4.27Å; F28-Y180 AromaticContact CE2-CZ 3.89Å
29V98.7Very high94Very high0 Ų036.3 Ų36.30%020%0.199CC..EExtended strand (participates in β ladder)trans-114.6104.5175.9-1720000108I27 K37 L107 I108 D109 G110 L132 V134I27-V29 HydrophobicContact CG2-CG2 4.26Å; V29-K37 HydrophobicContact CG1-CB 3.91Å; V29-K37 HydrophobicContact CG1-CD 4.23Å; V29-K37 HydrophobicContact CG1-CG 3.95Å; V29-K37 WeakPolarHBondContact O-CD 3.27Å; V29-L107 HydrophobicContact CG2-CB 4.24Å; V29-I108 PolarHBondContact N-O 3.42Å; V29-D109 HydrophobicContact CB-CB 4.43Å; V29-G110 PolarHBondContact O-N 3.48Å; V29-G110 VanDerWaalsContact O-N 3.11Å; V29-L132 HydrophobicContact CG1-CD2 4.32Å; V29-V134 HydrophobicContact CG1-CG2 4.14Å
30V98.1Very high94.9Very high2 Ų232.7 Ų32.71%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-117.2149.3-170.7-177.30000109.8F28 L131 L132 Y133 V134 T173 I177F28-V30 HydrophobicContact CB-CG2 4.27Å; V30-L131 HydrophobicContact CB-CD2 4.03Å; V30-L131 HydrophobicContact CB-CG 4.42Å; V30-L131 HydrophobicContact CG2-CD1 4Å; V30-L131 HydrophobicContact CG2-CD2 4.14Å; V30-L131 HydrophobicContact CG2-CG 3.98Å; V30-L132 PolarHBondContact N-O 2.91Å; V30-Y133 WeakPolarHBondContact O-CA 3.41Å; V30-V134 PolarHBondContact O-N 3.45Å; V30-T173 HydrophobicContact CG1-CG2 3.77Å; V30-I177 HydrophobicContact CG1-CG1 4.22Å
31G97.3Very high95.7Very high8 Ų828.3 Ų28.38%0.08216%0.161CC..  trans154.1161.1-17800000110.7K37 Y169G31-K37 WeakPolarHBondContact O-CE 3.47Å; G31-K37 PolarHBondContact O-NZ 3.03Å; G31-Y169 VanDerWaalsContact C-CE2 3.42Å
32G96.1Very high96.1Very high1 Ų134.3 Ų34.31%0.0119%0.189CC..  trans-66.4164.8-173.600000114.5G34 S35 K37 M141 Y169G32-G34 PolarHBondContact O-N 3.05Å; G32-S35 VanDerWaalsContact O-CB 3.29Å; G32-S35 WeakPolarHBondContact O-CB 3.1Å; G32-S35 PolarHBondContact O-N 3.13Å; G32-S35 VanDerWaalsContact O-N 3.1Å; G32-S35 PolarHBondContact O-OG 3.3Å; G32-K37 PolarHBondContact O-NZ 3.43Å; G32-M141 WeakPolarHBondContact CA-SD 3.23Å; G32-Y169 VanDerWaalsContact CA-CD2 3.44Å; G32-Y169 VanDerWaalsContact CA-CE2 3.5Å
33P94.3Very high96.8Very high17 Ų1730.6 Ų30.611%0.1117%0.172CC..THydrogen-bonded Turntrans-58.9129.717529.5-36.9000109.6S35 M141 L145 R165 L166P33-S35 VanDerWaalsContact C-N 3.32Å; P33-S35 PolarHBondContact O-N 3.2Å; P33-M141 VanDerWaalsContact O-CB 3.24Å; P33-M141 WeakPolarHBondContact O-CB 3.38Å; P33-M141 WeakPolarHBondContact O-CG 3.46Å; P33-M141 VanDerWaalsContact O-SD 3.39Å; P33-L145 HydrophobicContact CB-CD1 3.86Å; P33-L145 HydrophobicContact CB-CD2 4.17Å; P33-L145 HydrophobicContact CG-CD1 4.09Å; P33-L145 WeakPolarHBondContact O-CD1 3.37Å; P33-R165 HydrophobicContact CB-CB 4.46Å; P33-R165 HydrophobicContact CG-CB 4.02Å; P33-L166 HydrophobicContact CG-CD2 3.83Å; P33-L166 HydrophobicContact CG-CG 4.08Å
34G95.6Very high97.4Very high9 Ų923.4 Ų23.49%0.09313%0.134CC..THydrogen-bonded Turntrans83.6-0.3-177.400000115G32 G36 R144G32-G34 PolarHBondContact O-N 3.05Å; G34-G36 PolarHBondContact O-N 3.16Å; G34-G36 VanDerWaalsContact O-N 3.13Å; G34-R144 WeakPolarHBondContact O-CD 3.33Å
35S97.4Very high97.6Very high0 Ų024.5 Ų24.50%014%0.138CC..SBendtrans-69.5-6.4178.8750000115G32 P33 V134 R144 S191G32-S35 VanDerWaalsContact O-CB 3.29Å; G32-S35 WeakPolarHBondContact O-CB 3.1Å; G32-S35 PolarHBondContact O-N 3.13Å; G32-S35 VanDerWaalsContact O-N 3.1Å; G32-S35 PolarHBondContact O-OG 3.3Å; P33-S35 VanDerWaalsContact C-N 3.32Å; P33-S35 PolarHBondContact O-N 3.2Å; S35-V134 VanDerWaalsContact CB-O 3.3Å; S35-V134 WeakPolarHBondContact CB-O 3.36Å; S35-V134 VanDerWaalsContact O-CG1 3.22Å; S35-V134 WeakPolarHBondContact O-CG1 3.22Å; S35-V134 PolarHBondContact OG-O 2.88Å; S35-R144 PolarHBondContact O-NH1 2.71Å; S35-S191 WeakPolarHBondContact O-CB 3.28Å; S35-S191 PolarHBondContact O-OG 3.25Å
36G96.9Very high97.6Very high20 Ų2024.3 Ų24.321%0.20615%0.154CC..SBendtrans91.711.8177.800000115.8G34 G38 T39 Q40G34-G36 PolarHBondContact O-N 3.16Å; G34-G36 VanDerWaalsContact O-N 3.13Å; G36-G38 PolarHBondContact O-N 3.46Å; G36-T39 WeakPolarHBondContact O-CB 3.46Å; G36-T39 PolarHBondContact O-N 3.16Å; G36-Q40 PolarHBondContact O-N 2.83Å; G36-Q40 VanDerWaalsContact O-N 3.17Å
37K97.1Very high97.6Very high23 Ų2329.2 Ų29.210%0.118%0.175CC..Hα-helixtrans-47.3-54.7175.4-64.8-178.2-64.1-65.30113.6V29 G31 G32 T39 Q40 C41 D109 V134V29-K37 HydrophobicContact CG1-CB 3.91Å; V29-K37 HydrophobicContact CG1-CD 4.23Å; V29-K37 HydrophobicContact CG1-CG 3.95Å; V29-K37 WeakPolarHBondContact O-CD 3.27Å; G31-K37 WeakPolarHBondContact O-CE 3.47Å; G31-K37 PolarHBondContact O-NZ 3.03Å; G32-K37 PolarHBondContact O-NZ 3.43Å; K37-T39 VanDerWaalsContact C-N 3.3Å; K37-T39 PolarHBondContact O-N 3.09Å; K37-Q40 PolarHBondContact O-N 3.4Å; K37-C41 PolarHBondContact O-N 3.42Å; K37-C41 PolarHBondContact O-SG 2.95Å; K37-C41 VanDerWaalsContact O-SG 3.37Å; K37-D109 VanDerWaalsContact CB-OD1 3.31Å; K37-D109 WeakPolarHBondContact CB-OD1 3.36Å; K37-D109 WeakPolarHBondContact CD-OD1 3.38Å; K37-D109 WeakPolarHBondContact CE-OD1 3.42Å; K37-V134 HydrophobicContact CG-CB 4.07Å; K37-V134 HydrophobicContact CG-CG2 4.12Å
38G96.2Very high97.6Very high24 Ų2431 Ų3125%0.24718%0.182CC..Hα-helixtrans-56.4-43.1-178.200000112.8G36 Q40 C41 E42G36-G38 PolarHBondContact O-N 3.46Å; G38-Q40 VanDerWaalsContact C-N 3.35Å; G38-Q40 PolarHBondContact O-N 2.93Å; G38-C41 WeakPolarHBondContact O-CB 3.43Å; G38-C41 PolarHBondContact O-N 3.44Å; G38-C41 VanDerWaalsContact O-N 3.16Å; G38-E42 WeakPolarHBondContact O-CG 3.37Å; G38-E42 PolarHBondContact O-N 2.99Å
39T97.1Very high97.5Very high65 Ų6532.7 Ų32.740%0.39920%0.199SC..Hα-helixtrans-61-41.7176.1-53.10000112.3G36 K37 K43 V195G36-T39 WeakPolarHBondContact O-CB 3.46Å; G36-T39 PolarHBondContact O-N 3.16Å; K37-T39 VanDerWaalsContact C-N 3.3Å; K37-T39 PolarHBondContact O-N 3.09Å; T39-K43 PolarHBondContact O-N 3.36Å; T39-V195 HydrophobicContact CG2-CG1 3.74Å
40Q98.5Very high97.5Very high4 Ų433.5 Ų33.52%0.01920%0.202CC..Hα-helixtrans-68.7-40.1174.9-64.9-59.1-36.100111.3G36 K37 G38 E42 K43 I44 V195 V198 F199G36-Q40 PolarHBondContact O-N 2.83Å; G36-Q40 VanDerWaalsContact O-N 3.17Å; K37-Q40 PolarHBondContact O-N 3.4Å; G38-Q40 VanDerWaalsContact C-N 3.35Å; G38-Q40 PolarHBondContact O-N 2.93Å; Q40-E42 PolarHBondContact O-N 3.14Å; Q40-K43 PolarHBondContact O-N 2.8Å; Q40-I44 VanDerWaalsContact O-CG1 3.23Å; Q40-I44 WeakPolarHBondContact O-CG1 3.37Å; Q40-I44 PolarHBondContact O-N 2.84Å; Q40-V195 PolarHBondContact NE2-O 3.33Å; Q40-V195 VanDerWaalsContact NE2-O 3.16Å; Q40-V198 HydrophobicContact CG-CG1 4.04Å; Q40-F199 VanDerWaalsContact OE1-CA 3.27Å
41C98.6Very high97.5Very high0 Ų034.6 Ų34.60%021%0.209CC..Hα-helixtrans-57.7-46174.6-70.20000112.3K37 G38 K43 I44 V45 H52 L107K37-C41 PolarHBondContact O-N 3.42Å; K37-C41 PolarHBondContact O-SG 2.95Å; K37-C41 VanDerWaalsContact O-SG 3.37Å; G38-C41 WeakPolarHBondContact O-CB 3.43Å; G38-C41 PolarHBondContact O-N 3.44Å; G38-C41 VanDerWaalsContact O-N 3.16Å; C41-K43 VanDerWaalsContact C-N 3.31Å; C41-K43 PolarHBondContact O-N 2.77Å; C41-I44 PolarHBondContact O-N 3.26Å; C41-I44 VanDerWaalsContact O-N 3.14Å; C41-V45 VanDerWaalsContact O-CG2 3.26Å; C41-V45 WeakPolarHBondContact O-CG2 3.26Å; C41-V45 PolarHBondContact O-N 2.97Å; C41-H52 HydrophobicContact CB-CB 4.33Å; C41-L107 HydrophobicContact CB-CD1 4.02Å
42E98.4Very high97.6Very high126 Ų12636.6 Ų36.659%0.58922%0.216SC*.Hα-helixtrans-57.5-43.4177.1-73.6168.7-172.900111.9G38 Q40 V45 A46G38-E42 WeakPolarHBondContact O-CG 3.37Å; G38-E42 PolarHBondContact O-N 2.99Å; Q40-E42 PolarHBondContact O-N 3.14Å; E42-V45 PolarHBondContact O-N 3.27Å; E42-A46 WeakPolarHBondContact O-CB 3.26Å; E42-A46 PolarHBondContact O-N 3.09Å
43K98.6Very high97.7Very high66 Ų6637.2 Ų37.229%0.28722%0.219SC..Hα-helixtrans-66.8-38.7176-70.9-177168.1-102.20112.4T39 Q40 C41 A46 K47 V195 D196 F199T39-K43 PolarHBondContact O-N 3.36Å; Q40-K43 PolarHBondContact O-N 2.8Å; C41-K43 VanDerWaalsContact C-N 3.31Å; C41-K43 PolarHBondContact O-N 2.77Å; K43-A46 PolarHBondContact O-N 3.25Å; K43-K47 PolarHBondContact O-N 3.38Å; K43-V195 HydrophobicContact CD-CG1 3.95Å; K43-V195 VanDerWaalsContact CE-CG1 3.49Å; K43-D196 IonicContact NZ-OD1 2.93Å; K43-D196 PolarHBondContact NZ-OD1 3.26Å; K43-F199 VanDerWaalsContact C-CE2 3.49Å; K43-F199 HydrophobicContact CB-CD1 4.23Å; K43-F199 HydrophobicContact CB-CD2 3.44Å; K43-F199 VanDerWaalsContact CB-CD2 3.44Å; K43-F199 HydrophobicContact CB-CE1 4.15Å; K43-F199 HydrophobicContact CB-CE2 3.36Å; K43-F199 HydrophobicContact CB-CG 3.9Å; K43-F199 HydrophobicContact CB-CZ 3.73Å; K43-F199 HydrophobicContact CD-CB 3.94Å; K43-F199 HydrophobicContact CD-CD1 4.2Å; K43-F199 HydrophobicContact CD-CD2 4.14Å; K43-F199 HydrophobicContact CD-CG 3.82Å; K43-F199 HydrophobicContact CG-CD2 4.41Å; K43-F199 HydrophobicContact CG-CG 4.47Å; K43-F199 WeakPolarHBondContact O-CZ 3.41Å
44I98.6Very high97.8Very high0 Ų037 Ų370%022%0.218CC..Hα-helixtrans-64.2-45.3175.1-62.4161.7000110.3Q40 C41 A46 K47 Y48 Y50 L107 L132 F199 V202 I206Q40-I44 VanDerWaalsContact O-CG1 3.23Å; Q40-I44 WeakPolarHBondContact O-CG1 3.37Å; Q40-I44 PolarHBondContact O-N 2.84Å; C41-I44 PolarHBondContact O-N 3.26Å; C41-I44 VanDerWaalsContact O-N 3.14Å; I44-A46 VanDerWaalsContact C-N 3.33Å; I44-A46 PolarHBondContact O-N 3.33Å; I44-K47 PolarHBondContact O-N 3.41Å; I44-Y48 HydrophobicContact CB-CD2 4.44Å; I44-Y48 HydrophobicContact CG2-CD2 3.82Å; I44-Y48 WeakPolarHBondContact O-CB 3.38Å; I44-Y48 WeakPolarHBondContact O-CD2 3.22Å; I44-Y48 PolarHBondContact O-N 3.3Å; I44-Y50 HydrophobicContact CG2-CG 4.42Å; I44-L107 HydrophobicContact CB-CD1 3.7Å; I44-L107 HydrophobicContact CD1-CD1 4.07Å; I44-L107 HydrophobicContact CD1-CD2 4.22Å; I44-L107 HydrophobicContact CG2-CD1 3.65Å; I44-L107 HydrophobicContact CG2-CD2 3.91Å; I44-L107 HydrophobicContact CG2-CG 4.29Å; I44-L132 HydrophobicContact CD1-CD2 4.1Å; I44-F199 HydrophobicContact CG1-CE2 3.97Å; I44-V202 HydrophobicContact CD1-CG1 3.64Å; I44-V202 HydrophobicContact CG1-CG1 3.67Å; I44-I206 HydrophobicContact CB-CD1 4.36Å; I44-I206 HydrophobicContact CD1-CD1 3.86Å; I44-I206 HydrophobicContact CG1-CD1 3.75Å; I44-I206 HydrophobicContact CG2-CD1 3.63Å
45V98.4Very high97.7Very high52 Ų5236.8 Ų36.832%0.31522%0.215SC..Hα-helixtrans-56.2-49.9176170.80000110C41 E42 K47 G49 Y50 H52 L107C41-V45 VanDerWaalsContact O-CG2 3.26Å; C41-V45 WeakPolarHBondContact O-CG2 3.26Å; C41-V45 PolarHBondContact O-N 2.97Å; E42-V45 PolarHBondContact O-N 3.27Å; V45-K47 PolarHBondContact O-N 3.3Å; V45-G49 WeakPolarHBondContact O-CA 3.18Å; V45-G49 PolarHBondContact O-N 2.78Å; V45-Y50 WeakPolarHBondContact CG2-O 3.41Å; V45-H52 HydrophobicContact CG2-CB 3.6Å; V45-L107 HydrophobicContact CG2-CD1 4.18Å
46A98.5Very high97.5Very high90 Ų9037 Ų3774%0.74422%0.218SC*.Hα-helixtrans-61.6-41.6-178.600000113.2E42 K43 I44E42-A46 WeakPolarHBondContact O-CB 3.26Å; E42-A46 PolarHBondContact O-N 3.09Å; K43-A46 PolarHBondContact O-N 3.25Å; I44-A46 VanDerWaalsContact C-N 3.33Å; I44-A46 PolarHBondContact O-N 3.33Å
47K98.4Very high97.4Very high106 Ų10639.4 Ų39.446%0.46123%0.225SC..Hα-helixtrans-81.2-40.9-177.8-176.5174.8174.9-161.20113.3K43 I44 V45 F199 S203 D207K43-K47 PolarHBondContact O-N 3.38Å; I44-K47 PolarHBondContact O-N 3.41Å; V45-K47 PolarHBondContact O-N 3.3Å; K47-F199 HydrophobicContact CB-CZ 3.96Å; K47-F199 HydrophobicContact CD-CE1 3.96Å; K47-F199 HydrophobicContact CD-CZ 3.82Å; K47-S203 VanDerWaalsContact NZ-CB 3.31Å; K47-S203 PolarHBondContact NZ-OG 3.38Å; K47-S203 VanDerWaalsContact NZ-OG 3.09Å; K47-D207 IonicContact NZ-OD2 2.76Å
48Y98.1Very high97.3Very high39 Ų3940.3 Ų40.315%0.15323%0.231CC..Hα-helixtrans-110.3-11.2-166.8-62-79.4000114.3I44 Y50 K104 F199 S203 I206 D207I44-Y48 HydrophobicContact CB-CD2 4.44Å; I44-Y48 HydrophobicContact CG2-CD2 3.82Å; I44-Y48 WeakPolarHBondContact O-CB 3.38Å; I44-Y48 WeakPolarHBondContact O-CD2 3.22Å; I44-Y48 PolarHBondContact O-N 3.3Å; Y48-Y50 VanDerWaalsContact C-N 3.29Å; Y48-Y50 PolarHBondContact O-N 2.75Å; Y48-K104 WeakPolarHBondContact O-CD 3.37Å; Y48-F199 HydrophobicContact CE2-CZ 4.44Å; Y48-S203 VanDerWaalsContact OH-CA 3.27Å; Y48-S203 WeakPolarHBondContact OH-CA 3.27Å; Y48-S203 WeakPolarHBondContact OH-CB 3.18Å; Y48-S203 PolarHBondContact OH-O 3.46Å; Y48-I206 HydrophobicContact CD1-CG2 4.02Å; Y48-I206 HydrophobicContact CD2-CD1 4.38Å; Y48-I206 HydrophobicContact CD2-CG2 4.31Å; Y48-I206 HydrophobicContact CE1-CG2 3.86Å; Y48-I206 HydrophobicContact CE2-CB 4.38Å; Y48-I206 HydrophobicContact CE2-CD1 4.21Å; Y48-I206 HydrophobicContact CE2-CG2 4.16Å; Y48-I206 HydrophobicContact CG-CG2 4.23Å; Y48-D207 WeakPolarHBondContact CE1-OD1 3.41Å; Y48-D207 VanDerWaalsContact CZ-OD1 3.26Å; Y48-D207 VanDerWaalsContact OH-CG 3.28Å; Y48-D207 PolarHBondContact OH-OD1 3.35Å; Y48-D207 PolarHBondContact OH-OD2 3.43Å
49G97.4Very high97.3Very high34 Ų3439.7 Ų39.735%0.35122%0.222SC..  trans68.327.4-177.900000113.7V45 K104V45-G49 WeakPolarHBondContact O-CA 3.18Å; V45-G49 PolarHBondContact O-N 2.78Å; G49-K104 WeakPolarHBondContact O-CB 3.37Å; G49-K104 PolarHBondContact O-N 3.44Å
50Y98.4Very high97.1Very high17 Ų1739.3 Ų39.37%0.06721%0.213CC..PPolyproline II helixtrans-74.1160.9172.5-8144.3000109.9I27 I44 V45 Y48 K104 G105 L107I27-Y50 HydrophobicContact CD1-CD2 4.35Å; I27-Y50 HydrophobicContact CD1-CE2 3.63Å; I27-Y50 HydrophobicContact CG1-CE2 4.14Å; I44-Y50 HydrophobicContact CG2-CG 4.42Å; V45-Y50 WeakPolarHBondContact CG2-O 3.41Å; Y48-Y50 VanDerWaalsContact C-N 3.29Å; Y48-Y50 PolarHBondContact O-N 2.75Å; Y50-K104 HydrophobicContact CD1-CB 4.42Å; Y50-G105 CarbonylContact C-O 3.46Å; Y50-G105 VanDerWaalsContact CA-O 3.26Å; Y50-G105 WeakPolarHBondContact CA-O 3.46Å; Y50-G105 WeakPolarHBondContact CB-O 3.37Å; Y50-G105 VanDerWaalsContact CD2-C 3.5Å; Y50-L107 HydrophobicContact CD2-CD2 3.68Å; Y50-L107 HydrophobicContact CD2-CG 4.11Å; Y50-L107 HydrophobicContact CE2-CD2 4.4Å; Y50-L107 HydrophobicContact CG-CD2 4.44Å
51T98.4Very high96.9Very high25 Ų2542.2 Ų42.215%0.15324%0.238CC..EExtended strand (participates in β ladder)trans-96.9120.3170.9-600000109.7L53 K99 S103 G105 F106 L107T51-L53 HydrophobicContact CG2-CD2 3.86Å; T51-L53 HydrophobicContact CG2-CG 4.13Å; T51-K99 HydrophobicContact CG2-CB 4.06Å; T51-K99 HydrophobicContact CG2-CG 4.03Å; T51-S103 WeakPolarHBondContact CB-OG 3.41Å; T51-S103 WeakPolarHBondContact OG1-CB 3.32Å; T51-S103 PolarHBondContact OG1-OG 3.13Å; T51-G105 PolarHBondContact N-O 2.76Å; T51-F106 HydrophobicContact CG2-CD1 4.2Å; T51-F106 HydrophobicContact CG2-CE1 4.19Å; T51-F106 WeakPolarHBondContact O-CA 3.22Å; T51-L107 PolarHBondContact O-N 2.62Å
52H98.5Very high96.8Very high50 Ų5043.7 Ų43.723%0.23125%0.245CC..EExtended strand (participates in β ladder)trans-85.5121.1173.4172.2-146.4000110.8C41 V45 L107 D109C41-H52 HydrophobicContact CB-CB 4.33Å; V45-H52 HydrophobicContact CG2-CB 3.6Å; H52-L107 HydrophobicContact CB-CD1 4.47Å; H52-D109 IonicContact CE1-OD2 2.76Å; H52-D109 VanDerWaalsContact NE2-CB 3.29Å; H52-D109 WeakPolarHBondContact NE2-CB 3.43Å; H52-D109 IonicContact NE2-OD2 2.76Å; H52-D109 PolarHBondContact NE2-OD2 3Å
53L98.3Very high96.6Very high15 Ų1539.2 Ų39.28%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-119.5102.4174.8-59.8-178.9000108.6T51 A95 M96 F106 L107 I108 D109T51-L53 HydrophobicContact CG2-CD2 3.86Å; T51-L53 HydrophobicContact CG2-CG 4.13Å; L53-A95 HydrophobicContact CD1-CB 4.08Å; L53-A95 HydrophobicContact CD2-CB 3.92Å; L53-M96 HydrophobicContact CD1-CB 4.34Å; L53-M96 HydrophobicContact CD1-CG 3.4Å; L53-M96 VanDerWaalsContact CD1-CG 3.4Å; L53-F106 HydrophobicContact CD1-CD1 3.78Å; L53-F106 HydrophobicContact CD1-CE1 4.26Å; L53-F106 HydrophobicContact CG-CD1 4.35Å; L53-L107 PolarHBondContact N-O 2.98Å; L53-I108 HydrophobicContact CB-CD1 4.44Å; L53-I108 HydrophobicContact CD1-CD1 4.2Å; L53-D109 PolarHBondContact O-N 3.33Å
54S97.1Very high96.4Very high13 Ų1340.2 Ų40.29%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-89.7122.5173.4-167.10000110.4G56 D57 L58 D109S54-G56 PolarHBondContact O-N 2.92Å; S54-D57 VanDerWaalsContact CB-OD2 3.26Å; S54-D57 WeakPolarHBondContact CB-OD2 3.37Å; S54-D57 PolarHBondContact O-N 3.15Å; S54-D57 VanDerWaalsContact O-N 3.09Å; S54-L58 WeakPolarHBondContact O-CG 3.49Å; S54-L58 PolarHBondContact O-N 3.44Å; S54-D109 WeakPolarHBondContact CA-O 3.2Å; S54-D109 WeakPolarHBondContact CB-OD2 3.31Å; S54-D109 PolarHBondContact OG-OD2 2.89Å
55S93.7Very high96.2Very high4 Ų443.8 Ų43.83%0.02827%0.272CS..Hα-helixtrans-57.4-38.1175.5640000111.3D57 L58 L59 D109 G110S55-D57 PolarHBondContact O-N 3.29Å; S55-L58 PolarHBondContact O-N 2.98Å; S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 WeakPolarHBondContact O-CD1 3.36Å; S55-L59 WeakPolarHBondContact O-CG 3.43Å; S55-L59 PolarHBondContact O-N 2.99Å; S55-D109 PolarHBondContact N-O 3.47Å; S55-D109 PolarHBondContact OG-O 3Å; S55-G110 PolarHBondContact OG-O 2.9Å
56G93Very high95.9Very high5 Ų543.6 Ų43.65%0.05228%0.281CS..Hα-helixtrans-65.3-36.9177.100000113.6S54 R60S54-G56 PolarHBondContact O-N 2.92Å; G56-R60 VanDerWaalsContact C-CZ 3.42Å; G56-R60 WeakPolarHBondContact O-CB 3.26Å; G56-R60 WeakPolarHBondContact O-CG 3.43Å; G56-R60 PolarHBondContact O-N 3.4Å; G56-R60 PolarHBondContact O-NE 3.36Å; G56-R60 PolarHBondContact O-NH1 3.02Å; G56-R60 PolarHBondContact O-NH2 3.1Å
57D94.6Very high95.7Very high69 Ų6941.1 Ų41.137%0.36926%0.258SS..Hα-helixtrans-74.7-38.9178.1-68.2-36.4000111.6S54 S55 L59 R60 A61 R154S54-D57 VanDerWaalsContact CB-OD2 3.26Å; S54-D57 WeakPolarHBondContact CB-OD2 3.37Å; S54-D57 PolarHBondContact O-N 3.15Å; S54-D57 VanDerWaalsContact O-N 3.09Å; S55-D57 PolarHBondContact O-N 3.29Å; D57-L59 VanDerWaalsContact C-N 3.31Å; D57-L59 PolarHBondContact O-N 3.38Å; D57-R60 PolarHBondContact O-N 2.95Å; D57-R60 IonicContact OD1-CZ 3.73Å; D57-R60 IonicContact OD1-NE 2.7Å; D57-R60 PolarHBondContact OD1-NE 2.85Å; D57-R60 IonicContact OD1-NH2 3.91Å; D57-R60 PolarHBondContact OD1-NH2 3.47Å; D57-A61 WeakPolarHBondContact O-CB 3.48Å; D57-A61 PolarHBondContact O-N 3.28Å; D57-R154 IonicContact OD1-NH2 3.69Å
58L95.4Very high95.4Very high43 Ų4341.7 Ų41.723%0.22526%0.262CS..Hα-helixtrans-57.3-46172.4-67.7175000111S54 S55 A61 E62 M91 I92 A95S54-L58 WeakPolarHBondContact O-CG 3.49Å; S54-L58 PolarHBondContact O-N 3.44Å; S55-L58 PolarHBondContact O-N 2.98Å; L58-A61 PolarHBondContact O-N 2.8Å; L58-E62 PolarHBondContact O-N 2.99Å; L58-E62 VanDerWaalsContact O-N 3.09Å; L58-M91 HydrophobicContact CB-CE 4.08Å; L58-M91 HydrophobicContact CD1-CB 4.49Å; L58-M91 VanDerWaalsContact O-CE 3.23Å; L58-M91 WeakPolarHBondContact O-CE 3.23Å; L58-I92 HydrophobicContact CD1-CG1 4.01Å; L58-A95 HydrophobicContact CD1-CB 4.28Å; L58-A95 HydrophobicContact CD2-CB 4.06Å
59L94.8Very high95.1Very high11 Ų1145.5 Ų45.56%0.05828%0.276CS..Hα-helixtrans-64.5-44.2176.7-67.4169000112.2S55 D57 A61 E62 V63 L73 M77 V83 V88 M91S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 WeakPolarHBondContact O-CD1 3.36Å; S55-L59 WeakPolarHBondContact O-CG 3.43Å; S55-L59 PolarHBondContact O-N 2.99Å; D57-L59 VanDerWaalsContact C-N 3.31Å; D57-L59 PolarHBondContact O-N 3.38Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-A61 PolarHBondContact O-N 3.22Å; L59-E62 WeakPolarHBondContact O-CB 3.39Å; L59-E62 PolarHBondContact O-N 2.93Å; L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.16Å; L59-L73 HydrophobicContact CD2-CD1 3.85Å; L59-L73 HydrophobicContact CD2-CD2 3.93Å; L59-L73 HydrophobicContact CD2-CG 4.45Å; L59-M77 HydrophobicContact CB-CE 4.19Å; L59-M77 HydrophobicContact CB-SD 3.72Å; L59-V83 HydrophobicContact CD1-CB 4.32Å; L59-V83 HydrophobicContact CD1-CG2 3.82Å; L59-V83 HydrophobicContact CD2-CB 4.31Å; L59-V83 HydrophobicContact CD2-CG1 3.93Å; L59-V83 HydrophobicContact CD2-CG2 4.04Å; L59-V88 HydrophobicContact CD2-CG2 4.44Å; L59-M91 HydrophobicContact CD2-CE 4.45Å; L59-M91 HydrophobicContact CD2-SD 3.91Å
60R93.9Very high94.9Very high56 Ų5643.9 Ų43.921%0.21126%0.26CS..Hα-helixtrans-63.8-38176.8-79.4-176.4-73.7-81.2-2.2112.6G56 D57 E62 V63 A64 M77G56-R60 VanDerWaalsContact C-CZ 3.42Å; G56-R60 WeakPolarHBondContact O-CB 3.26Å; G56-R60 WeakPolarHBondContact O-CG 3.43Å; G56-R60 PolarHBondContact O-N 3.4Å; G56-R60 PolarHBondContact O-NE 3.36Å; G56-R60 PolarHBondContact O-NH1 3.02Å; G56-R60 PolarHBondContact O-NH2 3.1Å; D57-R60 PolarHBondContact O-N 2.95Å; D57-R60 IonicContact OD1-CZ 3.73Å; D57-R60 IonicContact OD1-NE 2.7Å; D57-R60 PolarHBondContact OD1-NE 2.85Å; D57-R60 IonicContact OD1-NH2 3.91Å; D57-R60 PolarHBondContact OD1-NH2 3.47Å; R60-E62 VanDerWaalsContact C-N 3.32Å; R60-V63 PolarHBondContact O-N 3.1Å; R60-A64 WeakPolarHBondContact O-CB 3.48Å; R60-A64 PolarHBondContact O-N 3.34Å; R60-M77 HydrophobicContact CG-CE 3.81Å
61A94.8Very high94.7Very high65 Ų6548.4 Ų48.454%0.53728%0.28SS..Hα-helixtrans-63.5-40.5175.400000111.2D57 L58 L59 A64 S65D57-A61 WeakPolarHBondContact O-CB 3.48Å; D57-A61 PolarHBondContact O-N 3.28Å; L58-A61 PolarHBondContact O-N 2.8Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-A61 PolarHBondContact O-N 3.22Å; A61-A64 PolarHBondContact O-N 3.24Å; A61-S65 PolarHBondContact O-N 2.63Å; A61-S65 VanDerWaalsContact O-N 3.09Å
62E94.9Very high94.5Very high32 Ų3252.8 Ų52.815%0.1530%0.298CS..Hα-helixtrans-64.8-42.6174-175.563.3-161.700112L58 L59 R60 A64 S65 S67 R69 L73 M91L58-E62 PolarHBondContact O-N 2.99Å; L58-E62 VanDerWaalsContact O-N 3.09Å; L59-E62 WeakPolarHBondContact O-CB 3.39Å; L59-E62 PolarHBondContact O-N 2.93Å; R60-E62 VanDerWaalsContact C-N 3.32Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.38Å; E62-S65 WeakPolarHBondContact O-CB 3.31Å; E62-S65 PolarHBondContact O-N 3.16Å; E62-S65 PolarHBondContact O-OG 3.45Å; E62-S67 PolarHBondContact OE1-OG 2.89Å; E62-R69 HydrophobicContact CG-CG 4.3Å; E62-R69 IonicContact OE1-CZ 2.76Å; E62-R69 IonicContact OE1-NE 2.72Å; E62-R69 PolarHBondContact OE1-NE 3.14Å; E62-R69 IonicContact OE1-NH2 3.25Å; E62-R69 PolarHBondContact OE1-NH2 3.02Å; E62-R69 IonicContact OE2-CZ 3.76Å; E62-R69 IonicContact OE2-NE 3.77Å; E62-R69 IonicContact OE2-NH2 2.78Å; E62-R69 PolarHBondContact OE2-NH2 3.07Å; E62-L73 HydrophobicContact CB-CD1 3.89Å; E62-L73 HydrophobicContact CG-CD1 3.55Å; E62-M91 HydrophobicContact CB-CE 3.77Å; E62-M91 HydrophobicContact CG-CE 4.37Å
63V93.9Very high94.2Very high32 Ų3250.7 Ų50.719%0.19429%0.289CS..Hα-helixtrans-57.8-45.8173171.50000110.7L59 R60 S65 G66 G70 L73 Q74 M77L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.16Å; R60-V63 PolarHBondContact O-N 3.1Å; V63-S65 PolarHBondContact O-N 3.25Å; V63-G66 PolarHBondContact O-N 2.83Å; V63-G66 VanDerWaalsContact O-N 3.14Å; V63-G70 WeakPolarHBondContact CG2-O 3.39Å; V63-L73 HydrophobicContact CG2-CB 3.91Å; V63-Q74 HydrophobicContact CG1-CB 3.86Å; V63-Q74 HydrophobicContact CG1-CG 4.03Å; V63-Q74 HydrophobicContact CG2-CB 4.11Å; V63-M77 HydrophobicContact CG2-SD 4.13Å
64A94.6Very high94Very high87 Ų8754 Ų5472%0.71930%0.304SS*.Hα-helixtrans-65.8-21.9-179.500000113.4R60 A61 E62 G66R60-A64 WeakPolarHBondContact O-CB 3.48Å; R60-A64 PolarHBondContact O-N 3.34Å; A61-A64 PolarHBondContact O-N 3.24Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.38Å; A64-G66 PolarHBondContact O-N 2.84Å
65S94.6Very high93.8Very high74 Ų7455.4 Ų55.452%0.51732%0.317SS..THydrogen-bonded Turntrans-65.9-18.9174.5800000113.5A61 E62 V63 S67A61-S65 PolarHBondContact O-N 2.63Å; A61-S65 VanDerWaalsContact O-N 3.09Å; E62-S65 WeakPolarHBondContact O-CB 3.31Å; E62-S65 PolarHBondContact O-N 3.16Å; E62-S65 PolarHBondContact O-OG 3.45Å; V63-S65 PolarHBondContact O-N 3.25Å; S65-S67 PolarHBondContact O-N 3.26Å; S65-S67 WeakPolarHBondContact OG-CB 3.36Å; S65-S67 PolarHBondContact OG-N 2.77Å; S65-S67 PolarHBondContact OG-OG 2.86Å
66G92.6Very high93.7Very high49 Ų4957.1 Ų57.151%0.50533%0.325SS..THydrogen-bonded Turntrans72.47.9-176.200000114.5V63 A64V63-G66 PolarHBondContact O-N 2.83Å; V63-G66 VanDerWaalsContact O-N 3.14Å; A64-G66 PolarHBondContact O-N 2.84Å
67S94.1Very high93.6Very high37 Ų3758 Ų5826%0.25933%0.328SS..  trans-61.5159177.478.70000111.7E62 S65 R69 G70 K71E62-S67 PolarHBondContact OE1-OG 2.89Å; S65-S67 PolarHBondContact O-N 3.26Å; S65-S67 WeakPolarHBondContact OG-CB 3.36Å; S65-S67 PolarHBondContact OG-N 2.77Å; S65-S67 PolarHBondContact OG-OG 2.86Å; S67-R69 PolarHBondContact O-N 2.9Å; S67-G70 WeakPolarHBondContact O-CA 3.44Å; S67-G70 PolarHBondContact O-N 2.88Å; S67-G70 PolarHBondContact OG-N 3.46Å; S67-K71 PolarHBondContact O-N 2.82Å
68E92.9Very high93.4Very high118 Ų11858.9 Ų58.955%0.55133%0.33SS*.Hα-helixtrans-61.1-37.2176.5-167.656-149.500111.7K71 Q72E68-K71 PolarHBondContact O-N 2.87Å; E68-K71 IonicContact OE2-NZ 3.35Å; E68-K71 PolarHBondContact OE2-NZ 3.35Å; E68-Q72 WeakPolarHBondContact O-CG 3.34Å; E68-Q72 PolarHBondContact O-N 3.23Å
69R91.6Very high93.2Very high119 Ų11962.1 Ų62.145%0.44934%0.342SS..Hα-helixtrans-59.9-45.7169.5179.8173.466.9174.13.8111.1E62 S67 K71 Q72 L73E62-R69 HydrophobicContact CG-CG 4.3Å; E62-R69 IonicContact OE1-CZ 2.76Å; E62-R69 IonicContact OE1-NE 2.72Å; E62-R69 PolarHBondContact OE1-NE 3.14Å; E62-R69 IonicContact OE1-NH2 3.25Å; E62-R69 PolarHBondContact OE1-NH2 3.02Å; E62-R69 IonicContact OE2-CZ 3.76Å; E62-R69 IonicContact OE2-NE 3.77Å; E62-R69 IonicContact OE2-NH2 2.78Å; E62-R69 PolarHBondContact OE2-NH2 3.07Å; S67-R69 PolarHBondContact O-N 2.9Å; R69-K71 VanDerWaalsContact C-N 3.32Å; R69-K71 PolarHBondContact O-N 3.34Å; R69-Q72 WeakPolarHBondContact O-CB 3.49Å; R69-Q72 PolarHBondContact O-N 2.97Å; R69-Q72 VanDerWaalsContact O-N 3.17Å; R69-L73 HydrophobicContact CG-CD1 4.15Å; R69-L73 HydrophobicContact CG-CG 4.34Å; R69-L73 VanDerWaalsContact O-CG 3.31Å; R69-L73 WeakPolarHBondContact O-CG 3.43Å; R69-L73 PolarHBondContact O-N 3.46Å
70G93.9Very high92.8Very high1 Ų162 Ų621%0.0134%0.344CS..Hα-helixtrans-56.1-42.417700000113V63 S67 L73 Q74V63-G70 WeakPolarHBondContact CG2-O 3.39Å; S67-G70 WeakPolarHBondContact O-CA 3.44Å; S67-G70 PolarHBondContact O-N 2.88Å; S67-G70 PolarHBondContact OG-N 3.46Å; G70-L73 PolarHBondContact O-N 2.8Å; G70-Q74 WeakPolarHBondContact O-CB 3.5Å; G70-Q74 PolarHBondContact O-N 2.78Å
71K93.2Very high92.6Very high111 Ų11164.2 Ų64.248%0.48336%0.356SS..Hα-helixtrans-63.2-42.9175.7-63.2176.8-163.1157.50112.4S67 E68 R69 Q74 A75S67-K71 PolarHBondContact O-N 2.82Å; E68-K71 PolarHBondContact O-N 2.87Å; E68-K71 IonicContact OE2-NZ 3.35Å; E68-K71 PolarHBondContact OE2-NZ 3.35Å; R69-K71 VanDerWaalsContact C-N 3.32Å; R69-K71 PolarHBondContact O-N 3.34Å; K71-Q74 WeakPolarHBondContact O-CB 3.34Å; K71-Q74 PolarHBondContact O-N 3.44Å; K71-A75 PolarHBondContact O-N 3.17Å
72Q93.5Very high92.4Very high117 Ų11763 Ų6355%0.54734%0.34SS..Hα-helixtrans-63.2-43.9176.7-66.4172.8-2.400111.3E68 R69 Q74 A75 I76E68-Q72 WeakPolarHBondContact O-CG 3.34Å; E68-Q72 PolarHBondContact O-N 3.23Å; R69-Q72 WeakPolarHBondContact O-CB 3.49Å; R69-Q72 PolarHBondContact O-N 2.97Å; R69-Q72 VanDerWaalsContact O-N 3.17Å; Q72-Q74 VanDerWaalsContact C-N 3.33Å; Q72-Q74 PolarHBondContact O-N 2.97Å; Q72-A75 PolarHBondContact O-N 3.42Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 3.37Å
73L93.9Very high92.3Very high7 Ų761.9 Ų61.94%0.03734%0.336CS..Hα-helixtrans-61.3-41.3175.7-67.6179000111.8L59 E62 V63 R69 G70 A75 I76 M77 V83L59-L73 HydrophobicContact CD2-CD1 3.85Å; L59-L73 HydrophobicContact CD2-CD2 3.93Å; L59-L73 HydrophobicContact CD2-CG 4.45Å; E62-L73 HydrophobicContact CB-CD1 3.89Å; E62-L73 HydrophobicContact CG-CD1 3.55Å; V63-L73 HydrophobicContact CG2-CB 3.91Å; R69-L73 HydrophobicContact CG-CD1 4.15Å; R69-L73 HydrophobicContact CG-CG 4.34Å; R69-L73 VanDerWaalsContact O-CG 3.31Å; R69-L73 WeakPolarHBondContact O-CG 3.43Å; R69-L73 PolarHBondContact O-N 3.46Å; G70-L73 PolarHBondContact O-N 2.8Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.31Å; L73-I76 PolarHBondContact O-N 3.37Å; L73-M77 WeakPolarHBondContact O-CB 3.47Å; L73-M77 WeakPolarHBondContact O-CG 3.47Å; L73-M77 PolarHBondContact O-N 2.9Å; L73-V83 HydrophobicContact CD2-CB 4.32Å; L73-V83 HydrophobicContact CD2-CG1 3.39Å; L73-V83 HydrophobicContact CD2-CG2 3.91Å
74Q92.9Very high92.3Very high83 Ų8363.9 Ų63.939%0.38835%0.349SS..Hα-helixtrans-57-46.6177.8-171.8176.633.100111.4V63 G70 K71 Q72 I76 M77 Q78V63-Q74 HydrophobicContact CG1-CB 3.86Å; V63-Q74 HydrophobicContact CG1-CG 4.03Å; V63-Q74 HydrophobicContact CG2-CB 4.11Å; G70-Q74 WeakPolarHBondContact O-CB 3.5Å; G70-Q74 PolarHBondContact O-N 2.78Å; K71-Q74 WeakPolarHBondContact O-CB 3.34Å; K71-Q74 PolarHBondContact O-N 3.44Å; Q72-Q74 VanDerWaalsContact C-N 3.33Å; Q72-Q74 PolarHBondContact O-N 2.97Å; Q74-I76 PolarHBondContact O-N 3.06Å; Q74-M77 PolarHBondContact O-N 2.88Å; Q74-Q78 WeakPolarHBondContact O-CB 3.21Å; Q74-Q78 WeakPolarHBondContact O-CG 3.21Å; Q74-Q78 PolarHBondContact O-N 2.96Å
75A92.9Very high92.3Very high44 Ų4461 Ų6136%0.36432%0.322SS..Hα-helixtrans-62.6-41.9179.800000112.5K71 Q72 L73 K79K71-A75 PolarHBondContact O-N 3.17Å; Q72-A75 PolarHBondContact O-N 3.42Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.31Å; A75-K79 WeakPolarHBondContact O-CG 3.42Å; A75-K79 PolarHBondContact O-N 3.49Å
76I92.8Very high92.2Very high39 Ų3961.5 Ų61.520%0.232%0.319CS..Hα-helixtrans-64.9-46.2176.9-63.6168.7000110.3Q72 L73 Q74 Q78 K79 G80 E81 V83Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 3.37Å; L73-I76 PolarHBondContact O-N 3.37Å; Q74-I76 PolarHBondContact O-N 3.06Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-K79 PolarHBondContact O-N 3.22Å; I76-G80 PolarHBondContact O-N 2.85Å; I76-E81 HydrophobicContact CG2-CB 3.81Å; I76-E81 PolarHBondContact O-N 3.39Å; I76-V83 HydrophobicContact CG2-CG2 3.97Å
77M90.3Very high92.2Very high25 Ų2561.3 Ų61.312%0.12331%0.308CS..Hα-helixtrans-65.5-40.7-176.9-70.3177.469.400112.7L59 R60 V63 L73 Q74 K79 G80 V83L59-M77 HydrophobicContact CB-CE 4.19Å; L59-M77 HydrophobicContact CB-SD 3.72Å; R60-M77 HydrophobicContact CG-CE 3.81Å; V63-M77 HydrophobicContact CG2-SD 4.13Å; L73-M77 WeakPolarHBondContact O-CB 3.47Å; L73-M77 WeakPolarHBondContact O-CG 3.47Å; L73-M77 PolarHBondContact O-N 2.9Å; Q74-M77 PolarHBondContact O-N 2.88Å; M77-K79 VanDerWaalsContact C-N 3.25Å; M77-K79 PolarHBondContact O-N 2.97Å; M77-G80 PolarHBondContact O-N 3.14Å; M77-V83 HydrophobicContact CG-CG2 4.49Å
78Q89.7Confident92.3Very high87 Ų8760 Ų6041%0.40730%0.298SS..Hα-helixtrans-63.3-32.7177.3-75.9176.5-14.600112.4Q74 I76 G80 T161Q74-Q78 WeakPolarHBondContact O-CB 3.21Å; Q74-Q78 WeakPolarHBondContact O-CG 3.21Å; Q74-Q78 PolarHBondContact O-N 2.96Å; I76-Q78 PolarHBondContact O-N 2.88Å; Q78-G80 PolarHBondContact O-N 2.8Å; Q78-T161 PolarHBondContact O-OG1 3.06Å
79K91.1Very high92.4Very high111 Ų11154.4 Ų54.448%0.48327%0.272SS..THydrogen-bonded Turntrans-75-10.1173.8-66.6176.8-174.7-179.10113.5A75 I76 M77 E81 K164A75-K79 WeakPolarHBondContact O-CG 3.42Å; A75-K79 PolarHBondContact O-N 3.49Å; I76-K79 PolarHBondContact O-N 3.22Å; M77-K79 VanDerWaalsContact C-N 3.25Å; M77-K79 PolarHBondContact O-N 2.97Å; K79-E81 VanDerWaalsContact C-N 3.31Å; K79-E81 HydrophobicContact CB-CG 3.92Å; K79-E81 WeakPolarHBondContact CD-OE1 3.29Å; K79-K164 WeakPolarHBondContact O-CD 3.3Å
80G86.1Confident92.6Very high8 Ų852.7 Ų52.78%0.08227%0.272CS..THydrogen-bonded Turntrans73.122.4-176.200000113.6I76 M77 Q78 L168I76-G80 PolarHBondContact O-N 2.85Å; M77-G80 PolarHBondContact O-N 3.14Å; Q78-G80 PolarHBondContact O-N 2.8Å; G80-L168 VanDerWaalsContact O-CD2 3.24Å; G80-L168 WeakPolarHBondContact O-CD2 3.41Å
81E90.8Very high92.7Very high103 Ų10353.8 Ų53.848%0.48128%0.277SS..PPolyproline II helixtrans-88.2166.6-178.6-69.7169.9-171.100112.1I76 K79I76-E81 HydrophobicContact CG2-CB 3.81Å; I76-E81 PolarHBondContact O-N 3.39Å; K79-E81 VanDerWaalsContact C-N 3.31Å; K79-E81 HydrophobicContact CB-CG 3.92Å; K79-E81 WeakPolarHBondContact CD-OE1 3.29Å
82L89.9Confident92.9Very high38 Ų3848.5 Ų48.520%0.19925%0.254CS..PPolyproline II helixtrans-80.3133.2171.6-66.3179.6000110.9R113 E114 L168L82-R113 HydrophobicContact CD2-CB 3.85Å; L82-R113 HydrophobicContact CD2-CG 4.36Å; L82-E114 HydrophobicContact CD1-CG 3.62Å; L82-E114 VanDerWaalsContact CD1-OE1 3.28Å; L82-E114 WeakPolarHBondContact CD1-OE1 3.34Å; L82-L168 HydrophobicContact CD1-CD1 4.17Å; L82-L168 HydrophobicContact CD2-CD2 3.76Å; L82-L168 HydrophobicContact CD2-CG 4.37Å; L82-L168 HydrophobicContact CG-CD1 4.05Å; L82-L168 HydrophobicContact CG-CD2 3.75Å; L82-L168 HydrophobicContact CG-CG 4.27Å
83V92.9Very high93.1Very high10 Ų1044.9 Ų44.96%0.06124%0.237CC..PPolyproline II helixtrans-70.7144.6167177.10000109L59 L73 I76 M77 L85 T87 V88L59-V83 HydrophobicContact CD1-CB 4.32Å; L59-V83 HydrophobicContact CD1-CG2 3.82Å; L59-V83 HydrophobicContact CD2-CB 4.31Å; L59-V83 HydrophobicContact CD2-CG1 3.93Å; L59-V83 HydrophobicContact CD2-CG2 4.04Å; L73-V83 HydrophobicContact CD2-CB 4.32Å; L73-V83 HydrophobicContact CD2-CG1 3.39Å; L73-V83 HydrophobicContact CD2-CG2 3.91Å; I76-V83 HydrophobicContact CG2-CG2 3.97Å; M77-V83 HydrophobicContact CG-CG2 4.49Å; V83-L85 PolarHBondContact O-N 3.39Å; V83-T87 HydrophobicContact CG1-CG2 4.23Å; V83-V88 HydrophobicContact CB-CG2 3.74Å; V83-V88 HydrophobicContact CG1-CG2 3.66Å
84P94Very high93.1Very high73 Ų7349.7 Ų49.747%0.47426%0.262SS..PPolyproline II helixtrans-50.7139.1179.3-30.436.5000113.8D86 T87 V88P84-D86 PolarHBondContact O-N 3.28Å; P84-T87 WeakPolarHBondContact O-CB 3.39Å; P84-T87 PolarHBondContact O-N 3.26Å; P84-V88 PolarHBondContact O-N 3.01Å
85L93.9Very high93.3Very high27 Ų2746.6 Ų46.614%0.14125%0.251CS..Hα-helixtrans-52.1-53.9-174.5178.5160.7000112.6V83 T87 V88 L89 K116 Q117 E120V83-L85 PolarHBondContact O-N 3.39Å; L85-T87 VanDerWaalsContact C-N 3.3Å; L85-T87 PolarHBondContact O-N 2.94Å; L85-V88 PolarHBondContact O-N 2.65Å; L85-L89 HydrophobicContact CD2-CB 4.42Å; L85-L89 HydrophobicContact CD2-CD2 4.06Å; L85-L89 VanDerWaalsContact O-CB 3.32Å; L85-L89 WeakPolarHBondContact O-CB 3.26Å; L85-L89 PolarHBondContact O-N 3.46Å; L85-K116 HydrophobicContact CD1-CB 4.38Å; L85-K116 HydrophobicContact CD1-CD 4.38Å; L85-K116 HydrophobicContact CD1-CG 3.97Å; L85-Q117 HydrophobicContact CB-CG 4.35Å; L85-Q117 HydrophobicContact CD1-CB 4.38Å; L85-Q117 HydrophobicContact CD1-CG 3.84Å; L85-Q117 HydrophobicContact CG-CG 3.91Å; L85-E120 HydrophobicContact CD1-CB 4.34Å; L85-E120 HydrophobicContact CD1-CG 4.03Å; L85-E120 HydrophobicContact CD2-CB 3.95Å; L85-E120 HydrophobicContact CD2-CG 4.06Å
86D93.4Very high93.5Very high85 Ų8544.5 Ų44.546%0.45523%0.233SC..Hα-helixtrans-63.7-38.8-173.5-71.5-45.9000111.3P84 V88 L89 D90 K124P84-D86 PolarHBondContact O-N 3.28Å; D86-V88 PolarHBondContact O-N 3.09Å; D86-L89 PolarHBondContact O-N 3.29Å; D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 3.26Å; D86-K124 IonicContact OD1-NZ 3.95Å; D86-K124 PolarHBondContact OD1-NZ 3Å
87T92.7Very high93.7Very high45 Ų4544.3 Ų44.328%0.27623%0.233SC..Hα-helixtrans-58-49.8175.4-53.80000111.7V83 P84 L85 M91V83-T87 HydrophobicContact CG1-CG2 4.23Å; P84-T87 WeakPolarHBondContact O-CB 3.39Å; P84-T87 PolarHBondContact O-N 3.26Å; L85-T87 VanDerWaalsContact C-N 3.3Å; L85-T87 PolarHBondContact O-N 2.94Å; T87-M91 HydrophobicContact CG2-SD 4.27Å; T87-M91 VanDerWaalsContact O-CG 3.23Å; T87-M91 WeakPolarHBondContact O-CG 3.48Å; T87-M91 PolarHBondContact O-N 3.43Å
88V95.2Very high94Very high9 Ų946.9 Ų46.96%0.05526%0.258CS..Hα-helixtrans-68.9-39.3-178.8-176.60000110.9L59 V83 P84 L85 D86 M91 I92 Y111L59-V88 HydrophobicContact CD2-CG2 4.44Å; V83-V88 HydrophobicContact CB-CG2 3.74Å; V83-V88 HydrophobicContact CG1-CG2 3.66Å; P84-V88 PolarHBondContact O-N 3.01Å; L85-V88 PolarHBondContact O-N 2.65Å; D86-V88 PolarHBondContact O-N 3.09Å; V88-M91 PolarHBondContact O-N 2.9Å; V88-I92 HydrophobicContact CG1-CD1 3.82Å; V88-I92 HydrophobicContact CG1-CG1 4.42Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.26Å; V88-I92 PolarHBondContact O-N 3.19Å; V88-Y111 HydrophobicContact CB-CE2 4.45Å; V88-Y111 HydrophobicContact CG1-CD2 3.79Å; V88-Y111 HydrophobicContact CG1-CE2 3.99Å
89L96.4Very high94.3Very high1 Ų147.7 Ų47.71%0.00526%0.26CS..Hα-helixtrans-64-44.4-179.7-178.456.6000111.9L85 D86 I92 K93 E120 F121 K124 I125L85-L89 HydrophobicContact CD2-CB 4.42Å; L85-L89 HydrophobicContact CD2-CD2 4.06Å; L85-L89 VanDerWaalsContact O-CB 3.32Å; L85-L89 WeakPolarHBondContact O-CB 3.26Å; L85-L89 PolarHBondContact O-N 3.46Å; D86-L89 PolarHBondContact O-N 3.29Å; L89-I92 PolarHBondContact O-N 2.84Å; L89-K93 WeakPolarHBondContact O-CB 3.45Å; L89-K93 PolarHBondContact O-N 2.92Å; L89-E120 HydrophobicContact CD2-CB 3.93Å; L89-F121 HydrophobicContact CD1-CB 4Å; L89-F121 HydrophobicContact CD1-CD2 3.78Å; L89-F121 HydrophobicContact CD1-CG 4.24Å; L89-K124 HydrophobicContact CD2-CB 4.44Å; L89-K124 HydrophobicContact CD2-CD 3.73Å; L89-K124 HydrophobicContact CD2-CG 4.43Å; L89-I125 HydrophobicContact CD1-CD1 3.49Å; L89-I125 VanDerWaalsContact CD1-CD1 3.49Å; L89-I125 HydrophobicContact CD1-CG1 4.18Å
90D95Very high94.4Very high82 Ų8243.4 Ų43.444%0.43925%0.245SC..Hα-helixtrans-64.5-43.6177-73-17.2000111.2D86 I92 K93 D94D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 3.26Å; D90-I92 VanDerWaalsContact C-N 3.33Å; D90-I92 PolarHBondContact O-N 2.84Å; D90-K93 WeakPolarHBondContact O-CB 3.36Å; D90-K93 PolarHBondContact O-N 3.4Å; D90-D94 PolarHBondContact O-N 2.81Å
91M95.8Very high94.7Very high24 Ų2448.7 Ų48.712%0.11827%0.272CS..Hα-helixtrans-59.8-41.7175.8-69.8176.484.200112.5L58 L59 E62 T87 V88 A95L58-M91 HydrophobicContact CB-CE 4.08Å; L58-M91 HydrophobicContact CD1-CB 4.49Å; L58-M91 VanDerWaalsContact O-CE 3.23Å; L58-M91 WeakPolarHBondContact O-CE 3.23Å; L59-M91 HydrophobicContact CD2-CE 4.45Å; L59-M91 HydrophobicContact CD2-SD 3.91Å; E62-M91 HydrophobicContact CB-CE 3.77Å; E62-M91 HydrophobicContact CG-CE 4.37Å; T87-M91 HydrophobicContact CG2-SD 4.27Å; T87-M91 VanDerWaalsContact O-CG 3.23Å; T87-M91 WeakPolarHBondContact O-CG 3.48Å; T87-M91 PolarHBondContact O-N 3.43Å; V88-M91 PolarHBondContact O-N 2.9Å; M91-A95 WeakPolarHBondContact O-CB 3.26Å; M91-A95 PolarHBondContact O-N 3.5Å; M91-A95 VanDerWaalsContact O-N 3.14Å
92I97.6Very high94.8Very high1 Ų149.3 Ų49.31%0.00528%0.282CS..Hα-helixtrans-66.7-45176.2-68166000110.3L58 V88 L89 D90 D94 A95 M96 I108 Y111 F121L58-I92 HydrophobicContact CD1-CG1 4.01Å; V88-I92 HydrophobicContact CG1-CD1 3.82Å; V88-I92 HydrophobicContact CG1-CG1 4.42Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.26Å; V88-I92 PolarHBondContact O-N 3.19Å; L89-I92 PolarHBondContact O-N 2.84Å; D90-I92 VanDerWaalsContact C-N 3.33Å; D90-I92 PolarHBondContact O-N 2.84Å; I92-D94 PolarHBondContact O-N 2.9Å; I92-A95 PolarHBondContact O-N 3.38Å; I92-M96 HydrophobicContact CG2-CG 4.27Å; I92-M96 HydrophobicContact CG2-SD 3.93Å; I92-M96 VanDerWaalsContact O-CG 3.31Å; I92-M96 WeakPolarHBondContact O-CG 3.45Å; I92-M96 PolarHBondContact O-N 2.86Å; I92-I108 HydrophobicContact CD1-CG2 3.96Å; I92-I108 HydrophobicContact CG2-CD1 4.12Å; I92-I108 HydrophobicContact CG2-CG2 4.11Å; I92-Y111 HydrophobicContact CD1-CD1 4.18Å; I92-Y111 HydrophobicContact CD1-CD2 3.55Å; I92-Y111 HydrophobicContact CD1-CE2 4Å; I92-Y111 HydrophobicContact CD1-CG 3.63Å; I92-F121 HydrophobicContact CG2-CE2 3.85Å
93K96.7Very high95Very high41 Ų4148.6 Ų48.618%0.17828%0.28CS..Hα-helixtrans-57.4-49.4179.1-172.4179.9177.2-177.40111.4Q18 I21 L89 D90 A95 M96 I97 I125Q18-K93 VanDerWaalsContact NE2-NZ 3.19Å; I21-K93 HydrophobicContact CD1-CG 4.44Å; L89-K93 WeakPolarHBondContact O-CB 3.45Å; L89-K93 PolarHBondContact O-N 2.92Å; D90-K93 WeakPolarHBondContact O-CB 3.36Å; D90-K93 PolarHBondContact O-N 3.4Å; K93-A95 VanDerWaalsContact C-N 3.34Å; K93-A95 PolarHBondContact O-N 3.03Å; K93-M96 PolarHBondContact O-N 2.92Å; K93-I97 HydrophobicContact CG-CD1 4.07Å; K93-I97 WeakPolarHBondContact O-CG1 3.35Å; K93-I97 PolarHBondContact O-N 2.79Å; K93-I125 HydrophobicContact CB-CD1 3.76Å; K93-I125 HydrophobicContact CB-CG1 4.31Å; K93-I125 HydrophobicContact CD-CG1 4.46Å; K93-I125 HydrophobicContact CG-CD1 4.18Å; K93-I125 HydrophobicContact CG-CG1 4.21Å
94D95.6Very high95.2Very high107 Ų10755.3 Ų55.357%0.57231%0.309SS*.Hα-helixtrans-62.3-42.7-179.9-71.6-14.6000111.3D90 I92 M96 I97 A98D90-D94 PolarHBondContact O-N 2.81Å; I92-D94 PolarHBondContact O-N 2.9Å; D94-M96 VanDerWaalsContact C-N 3.35Å; D94-M96 PolarHBondContact O-N 3.3Å; D94-I97 PolarHBondContact O-N 3.01Å; D94-A98 WeakPolarHBondContact O-CB 3.38Å; D94-A98 PolarHBondContact O-N 2.77Å
95A96.8Very high95.3Very high18 Ų1852 Ų5215%0.14929%0.287CS..Hα-helixtrans-64.3-37.6176.700000112.7L53 L58 M91 I92 K93 K99L53-A95 HydrophobicContact CD1-CB 4.08Å; L53-A95 HydrophobicContact CD2-CB 3.92Å; L58-A95 HydrophobicContact CD1-CB 4.28Å; L58-A95 HydrophobicContact CD2-CB 4.06Å; M91-A95 WeakPolarHBondContact O-CB 3.26Å; M91-A95 PolarHBondContact O-N 3.5Å; M91-A95 VanDerWaalsContact O-N 3.14Å; I92-A95 PolarHBondContact O-N 3.38Å; K93-A95 VanDerWaalsContact C-N 3.34Å; K93-A95 PolarHBondContact O-N 3.03Å; A95-K99 PolarHBondContact O-N 3.12Å
96M97.6Very high95.6Very high0 Ų050.9 Ų50.90%028%0.281CS..Hα-helixtrans-64.5-48.5174.1-72.4177.764.800111.4I21 I26 L53 I92 K93 D94 A98 K99 A100 F106 I108 F121 I125I21-M96 HydrophobicContact CB-CE 4.4Å; I21-M96 HydrophobicContact CD1-CB 4.28Å; I21-M96 HydrophobicContact CD1-CE 4.36Å; I21-M96 HydrophobicContact CG2-CB 4.17Å; I26-M96 HydrophobicContact CD1-CE 3.96Å; I26-M96 HydrophobicContact CG1-CE 4.06Å; L53-M96 HydrophobicContact CD1-CB 4.34Å; L53-M96 HydrophobicContact CD1-CG 3.4Å; L53-M96 VanDerWaalsContact CD1-CG 3.4Å; I92-M96 HydrophobicContact CG2-CG 4.27Å; I92-M96 HydrophobicContact CG2-SD 3.93Å; I92-M96 VanDerWaalsContact O-CG 3.31Å; I92-M96 WeakPolarHBondContact O-CG 3.45Å; I92-M96 PolarHBondContact O-N 2.86Å; K93-M96 PolarHBondContact O-N 2.92Å; D94-M96 VanDerWaalsContact C-N 3.35Å; D94-M96 PolarHBondContact O-N 3.3Å; M96-A98 VanDerWaalsContact C-N 3.3Å; M96-A98 PolarHBondContact O-N 3.01Å; M96-K99 CarbonylContact O-C 3.59Å; M96-K99 PolarHBondContact O-N 3.38Å; M96-K99 VanDerWaalsContact O-N 3.09Å; M96-A100 PolarHBondContact O-N 3.38Å; M96-F106 HydrophobicContact CB-CD1 4.43Å; M96-F106 HydrophobicContact CB-CE1 4.09Å; M96-F106 HydrophobicContact CB-CZ 4.18Å; M96-F106 HydrophobicContact CE-CB 4.43Å; M96-F106 HydrophobicContact CE-CD2 3.85Å; M96-F106 HydrophobicContact CE-CE2 4.26Å; M96-F106 HydrophobicContact CE-CG 4.08Å; M96-F106 HydrophobicContact CG-CD1 3.9Å; M96-F106 HydrophobicContact CG-CE1 4.07Å; M96-F106 HydrophobicContact CG-CG 4.18Å; M96-F106 HydrophobicContact CG-CZ 4.49Å; M96-F106 WeakPolarHBondContact O-CZ 3.3Å; M96-I108 HydrophobicContact CG-CD1 4.34Å; M96-I108 HydrophobicContact SD-CD1 3.9Å; M96-F121 HydrophobicContact CE-CZ 4.38Å; M96-F121 HydrophobicContact SD-CE2 4.14Å; M96-F121 HydrophobicContact SD-CZ 3.9Å; M96-I125 HydrophobicContact CE-CG2 3.69Å; M96-I125 HydrophobicContact SD-CD1 4.46Å; M96-I125 HydrophobicContact SD-CG2 3.85Å
97I96.1Very high95.8Very high36 Ų3646.8 Ų46.819%0.18526%0.26CS..Hα-helixtrans-58.7-43.8179.2-69172.3000110.7I21 K93 D94 K99 A100I21-I97 HydrophobicContact CD1-CG1 3.97Å; I21-I97 HydrophobicContact CG2-CG1 4.32Å; K93-I97 HydrophobicContact CG-CD1 4.07Å; K93-I97 WeakPolarHBondContact O-CG1 3.35Å; K93-I97 PolarHBondContact O-N 2.79Å; D94-I97 PolarHBondContact O-N 3.01Å; I97-K99 PolarHBondContact O-N 2.56Å; I97-K99 VanDerWaalsContact O-N 3.15Å; I97-A100 WeakPolarHBondContact O-CB 3.41Å; I97-A100 PolarHBondContact O-N 3.42Å
98A96Very high96.1Very high79 Ų7944.7 Ų44.765%0.65325%0.246SC*.Hα-helixtrans-62.9-19.8179.800000114D94 M96D94-A98 WeakPolarHBondContact O-CB 3.38Å; D94-A98 PolarHBondContact O-N 2.77Å; M96-A98 VanDerWaalsContact C-N 3.3Å; M96-A98 PolarHBondContact O-N 3.01Å
99K96Very high96.2Very high104 Ų10444.7 Ų44.745%0.45225%0.246SC..Hα-helixtrans-1151.7-178.4-62.4-64-176-178.60113.4T51 A95 M96 I97 D101 V102 S103 F106T51-K99 HydrophobicContact CG2-CB 4.06Å; T51-K99 HydrophobicContact CG2-CG 4.03Å; A95-K99 PolarHBondContact O-N 3.12Å; M96-K99 CarbonylContact O-C 3.59Å; M96-K99 PolarHBondContact O-N 3.38Å; M96-K99 VanDerWaalsContact O-N 3.09Å; I97-K99 PolarHBondContact O-N 2.56Å; I97-K99 VanDerWaalsContact O-N 3.15Å; K99-D101 VanDerWaalsContact C-N 3.27Å; K99-D101 PolarHBondContact O-N 3.4Å; K99-V102 HydrophobicContact CD-CG2 4.38Å; K99-V102 WeakPolarHBondContact O-CG2 3.46Å; K99-V102 PolarHBondContact O-N 2.91Å; K99-S103 VanDerWaalsContact O-CB 3.22Å; K99-S103 WeakPolarHBondContact O-CB 3Å; K99-S103 PolarHBondContact O-N 2.78Å; K99-F106 HydrophobicContact CB-CE1 4.03Å; K99-F106 HydrophobicContact CB-CZ 4.45Å
100A94.1Very high96Very high20 Ų2045.1 Ų45.117%0.16525%0.251CS..THydrogen-bonded Turntrans-59.3-36.2-173.600000113.3K20 I21 M96 I97 V102K20-A100 HydrophobicContact CB-CB 3.72Å; K20-A100 HydrophobicContact CD-CB 4.34Å; I21-A100 HydrophobicContact CG2-CB 3.69Å; M96-A100 PolarHBondContact O-N 3.38Å; I97-A100 WeakPolarHBondContact O-CB 3.41Å; I97-A100 PolarHBondContact O-N 3.42Å; A100-V102 VanDerWaalsContact C-N 3.27Å; A100-V102 PolarHBondContact O-N 2.76Å
101D92.4Very high96.1Very high120 Ų12041.3 Ų41.364%0.64223%0.23SC*.THydrogen-bonded Turntrans-75.6-13.5-175.7-57.6-38000113.5K20 K99K20-D101 VanDerWaalsContact NZ-CG 3.3Å; K20-D101 IonicContact NZ-OD1 2.68Å; K20-D101 PolarHBondContact NZ-OD1 3.2Å; K20-D101 IonicContact NZ-OD2 2.81Å; K20-D101 PolarHBondContact NZ-OD2 2.85Å; K99-D101 VanDerWaalsContact C-N 3.27Å; K99-D101 PolarHBondContact O-N 3.4Å
102V93.3Very high96.2Very high115 Ų11540.2 Ų40.270%0.69723%0.225SC*.THydrogen-bonded Turntrans-122-19.5-175.4-61.80000114.1K99 A100K99-V102 HydrophobicContact CD-CG2 4.38Å; K99-V102 WeakPolarHBondContact O-CG2 3.46Å; K99-V102 PolarHBondContact O-N 2.91Å; A100-V102 VanDerWaalsContact C-N 3.27Å; A100-V102 PolarHBondContact O-N 2.76Å
103S94.6Very high96.1Very high23 Ų2343.9 Ų43.916%0.16124%0.239CC..  trans-77.3137.3-174-171.80000112.1T51 K99 G105T51-S103 WeakPolarHBondContact CB-OG 3.41Å; T51-S103 WeakPolarHBondContact OG1-CB 3.32Å; T51-S103 PolarHBondContact OG1-OG 3.13Å; K99-S103 VanDerWaalsContact O-CB 3.22Å; K99-S103 WeakPolarHBondContact O-CB 3Å; K99-S103 PolarHBondContact O-N 2.78Å; S103-G105 VanDerWaalsContact C-N 3.34Å; S103-G105 PolarHBondContact OG-N 2.79Å; S103-G105 PolarHBondContact OG-O 3.04Å
104K95.8Very high96.1Very high152 Ų15245.6 Ų45.666%0.66125%0.247SC*.SBendtrans-85.5-7.7168.9-62.8-175.4176.8-179.80113.7Y48 G49 Y50Y48-K104 WeakPolarHBondContact O-CD 3.37Å; G49-K104 WeakPolarHBondContact O-CB 3.37Å; G49-K104 PolarHBondContact O-N 3.44Å; Y50-K104 HydrophobicContact CD1-CB 4.42Å
105G97.4Very high96.2Very high2 Ų242.3 Ų42.32%0.02123%0.231CC..  trans162.5160.6-176.400000110.5K25 Y50 T51 S103K25-G105 CarbonylContact O-C 3.47Å; K25-G105 VanDerWaalsContact O-CA 3.26Å; K25-G105 WeakPolarHBondContact O-CA 3.33Å; Y50-G105 CarbonylContact C-O 3.46Å; Y50-G105 VanDerWaalsContact CA-O 3.26Å; Y50-G105 WeakPolarHBondContact CA-O 3.46Å; Y50-G105 WeakPolarHBondContact CB-O 3.37Å; Y50-G105 VanDerWaalsContact CD2-C 3.5Å; T51-G105 PolarHBondContact N-O 2.76Å; S103-G105 VanDerWaalsContact C-N 3.34Å; S103-G105 PolarHBondContact OG-N 2.79Å; S103-G105 PolarHBondContact OG-O 3.04Å
106F98.6Very high96.2Very high4 Ų447.8 Ų47.82%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-113.8132.8-175.5-66.2-83.8000111.5A24 K25 I27 T51 L53 M96 K99 I108A24-F106 HydrophobicContact CB-CD2 3.78Å; A24-F106 HydrophobicContact CB-CE2 3.8Å; K25-F106 PolarHBondContact O-N 3.4Å; I27-F106 PolarHBondContact N-O 3.11Å; T51-F106 HydrophobicContact CG2-CD1 4.2Å; T51-F106 HydrophobicContact CG2-CE1 4.19Å; T51-F106 WeakPolarHBondContact O-CA 3.22Å; L53-F106 HydrophobicContact CD1-CD1 3.78Å; L53-F106 HydrophobicContact CD1-CE1 4.26Å; L53-F106 HydrophobicContact CG-CD1 4.35Å; M96-F106 HydrophobicContact CB-CD1 4.43Å; M96-F106 HydrophobicContact CB-CE1 4.09Å; M96-F106 HydrophobicContact CB-CZ 4.18Å; M96-F106 HydrophobicContact CE-CB 4.43Å; M96-F106 HydrophobicContact CE-CD2 3.85Å; M96-F106 HydrophobicContact CE-CE2 4.26Å; M96-F106 HydrophobicContact CE-CG 4.08Å; M96-F106 HydrophobicContact CG-CD1 3.9Å; M96-F106 HydrophobicContact CG-CE1 4.07Å; M96-F106 HydrophobicContact CG-CG 4.18Å; M96-F106 HydrophobicContact CG-CZ 4.49Å; M96-F106 WeakPolarHBondContact O-CZ 3.3Å; K99-F106 HydrophobicContact CB-CE1 4.03Å; K99-F106 HydrophobicContact CB-CZ 4.45Å; F106-I108 HydrophobicContact CB-CD1 3.84Å
107L98.8Very high96.3Very high0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-101.2111166.9-50.8173.2000107.4I27 V29 C41 I44 V45 Y50 T51 H52 L53 D109I27-L107 HydrophobicContact CB-CD2 3.93Å; I27-L107 HydrophobicContact CD1-CD2 4.12Å; I27-L107 HydrophobicContact CG1-CD2 4.43Å; I27-L107 HydrophobicContact CG2-CD2 4.34Å; I27-L107 WeakPolarHBondContact O-CA 3.28Å; V29-L107 HydrophobicContact CG2-CB 4.24Å; C41-L107 HydrophobicContact CB-CD1 4.02Å; I44-L107 HydrophobicContact CB-CD1 3.7Å; I44-L107 HydrophobicContact CD1-CD1 4.07Å; I44-L107 HydrophobicContact CD1-CD2 4.22Å; I44-L107 HydrophobicContact CG2-CD1 3.65Å; I44-L107 HydrophobicContact CG2-CD2 3.91Å; I44-L107 HydrophobicContact CG2-CG 4.29Å; V45-L107 HydrophobicContact CG2-CD1 4.18Å; Y50-L107 HydrophobicContact CD2-CD2 3.68Å; Y50-L107 HydrophobicContact CD2-CG 4.11Å; Y50-L107 HydrophobicContact CE2-CD2 4.4Å; Y50-L107 HydrophobicContact CG-CD2 4.44Å; T51-L107 PolarHBondContact O-N 2.62Å; H52-L107 HydrophobicContact CB-CD1 4.47Å; L53-L107 PolarHBondContact N-O 2.98Å; L107-D109 PolarHBondContact O-N 3.45Å
108I98.6Very high96.3Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-95.398.3176.5-40.6-58.3000107.3I26 I27 F28 V29 L53 I92 M96 F106 Y111 F121I26-I108 HydrophobicContact CG2-CG1 4.03Å; I27-I108 PolarHBondContact O-N 2.84Å; F28-I108 HydrophobicContact CD1-CB 3.92Å; F28-I108 HydrophobicContact CD1-CG1 4.06Å; F28-I108 HydrophobicContact CE1-CB 4.31Å; F28-I108 HydrophobicContact CE1-CG1 4.16Å; V29-I108 PolarHBondContact N-O 3.42Å; L53-I108 HydrophobicContact CB-CD1 4.44Å; L53-I108 HydrophobicContact CD1-CD1 4.2Å; I92-I108 HydrophobicContact CD1-CG2 3.96Å; I92-I108 HydrophobicContact CG2-CD1 4.12Å; I92-I108 HydrophobicContact CG2-CG2 4.11Å; M96-I108 HydrophobicContact CG-CD1 4.34Å; M96-I108 HydrophobicContact SD-CD1 3.9Å; F106-I108 HydrophobicContact CB-CD1 3.84Å; I108-Y111 HydrophobicContact CG2-CD1 4.25Å; I108-Y111 HydrophobicContact CG2-CG 4.3Å; I108-F121 HydrophobicContact CD1-CZ 4.46Å; I108-F121 HydrophobicContact CG1-CE2 4.27Å; I108-F121 HydrophobicContact CG1-CZ 4.12Å
109D98Very high96.4Very high10 Ų1046 Ų465%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-92.8128.8-17416535.8000111.7V29 K37 H52 L53 S54 S55 L107 Y111V29-D109 HydrophobicContact CB-CB 4.43Å; K37-D109 VanDerWaalsContact CB-OD1 3.31Å; K37-D109 WeakPolarHBondContact CB-OD1 3.36Å; K37-D109 WeakPolarHBondContact CD-OD1 3.38Å; K37-D109 WeakPolarHBondContact CE-OD1 3.42Å; H52-D109 IonicContact CE1-OD2 2.76Å; H52-D109 VanDerWaalsContact NE2-CB 3.29Å; H52-D109 WeakPolarHBondContact NE2-CB 3.43Å; H52-D109 IonicContact NE2-OD2 2.76Å; H52-D109 PolarHBondContact NE2-OD2 3Å; L53-D109 PolarHBondContact O-N 3.33Å; S54-D109 WeakPolarHBondContact CA-O 3.2Å; S54-D109 WeakPolarHBondContact CB-OD2 3.31Å; S54-D109 PolarHBondContact OG-OD2 2.89Å; S55-D109 PolarHBondContact N-O 3.47Å; S55-D109 PolarHBondContact OG-O 3Å; L107-D109 PolarHBondContact O-N 3.45Å; D109-Y111 VanDerWaalsContact C-N 3.3Å
110G90.5Very high96.5Very high10 Ų1042.8 Ų42.810%0.10322%0.216CC..THydrogen-bonded Turntrans73.824.2179.800000113.1V29 S55 R113V29-G110 PolarHBondContact O-N 3.48Å; V29-G110 VanDerWaalsContact O-N 3.11Å; S55-G110 PolarHBondContact OG-O 2.9Å; G110-R113 VanDerWaalsContact O-CG 3.3Å; G110-R113 WeakPolarHBondContact O-CG 3.05Å; G110-R113 PolarHBondContact O-NE 3.38Å
111Y97.1Very high96.7Very high1 Ų141.9 Ų41.90%0.00421%0.208CC..  trans-147.4145.7172.2-171.5-79.9000108.8V88 I92 I108 D109 Q117 F121V88-Y111 HydrophobicContact CB-CE2 4.45Å; V88-Y111 HydrophobicContact CG1-CD2 3.79Å; V88-Y111 HydrophobicContact CG1-CE2 3.99Å; I92-Y111 HydrophobicContact CD1-CD1 4.18Å; I92-Y111 HydrophobicContact CD1-CD2 3.55Å; I92-Y111 HydrophobicContact CD1-CE2 4Å; I92-Y111 HydrophobicContact CD1-CG 3.63Å; I108-Y111 HydrophobicContact CG2-CD1 4.25Å; I108-Y111 HydrophobicContact CG2-CG 4.3Å; D109-Y111 VanDerWaalsContact C-N 3.3Å; Y111-Q117 HydrophobicContact CE1-CB 4.2Å; Y111-Q117 HydrophobicContact CE2-CB 3.89Å; Y111-Q117 HydrophobicContact CE2-CG 4.23Å; Y111-Q117 PolarHBondContact OH-O 2.95Å; Y111-F121 HydrophobicContact CD1-CD2 4.18Å; Y111-F121 HydrophobicContact CE1-CB 3.73Å; Y111-F121 AromaticContact CE1-CD2 3.65Å; Y111-F121 HydrophobicContact CE1-CD2 3.65Å; Y111-F121 HydrophobicContact CE1-CG 4Å
112P97.8Very high96.9Very high1 Ų137.5 Ų37.51%0.00618%0.184CC..  cis-74.4151.2-8.125.9-27000111.9F28 Q117 G118 V176 Y180F28-P112 HydrophobicContact CD2-CG 3.98Å; F28-P112 HydrophobicContact CE2-CG 3.92Å; P112-Q117 HydrophobicContact CB-CB 3.66Å; P112-G118 VanDerWaalsContact CB-N 3.32Å; P112-V176 HydrophobicContact CG-CG1 3.75Å; P112-Y180 HydrophobicContact CG-CE2 4.17Å
113R96.4Very high97.1Very high78 Ų7838.9 Ų38.929%0.29418%0.18SC..SBendtrans-103.1-7.6175.3-63.9-167.4-177.1-168.66.5113.8L82 G110 A172 T173L82-R113 HydrophobicContact CD2-CB 3.85Å; L82-R113 HydrophobicContact CD2-CG 4.36Å; G110-R113 VanDerWaalsContact O-CG 3.3Å; G110-R113 WeakPolarHBondContact O-CG 3.05Å; G110-R113 PolarHBondContact O-NE 3.38Å; R113-A172 CarbonylContact O-C 3.1Å; R113-A172 VanDerWaalsContact O-O 3.05Å; R113-T173 WeakPolarHBondContact CA-OG1 3.38Å; R113-T173 WeakPolarHBondContact O-CA 3.43Å; R113-T173 WeakPolarHBondContact O-CB 3.5Å; R113-T173 PolarHBondContact O-N 3.34Å; R113-T173 PolarHBondContact O-OG1 3.25Å
114E96.8Very high97Very high77 Ų7741.4 Ų41.436%0.3619%0.188SC..SBendtrans-144.4152.2174.1-71.8176.9146.300108.6L82 K116 Q117 G118 A172 V176L82-E114 HydrophobicContact CD1-CG 3.62Å; L82-E114 VanDerWaalsContact CD1-OE1 3.28Å; L82-E114 WeakPolarHBondContact CD1-OE1 3.34Å; E114-K116 VanDerWaalsContact C-N 3.28Å; E114-K116 PolarHBondContact O-N 3.37Å; E114-Q117 HydrophobicContact CB-CG 4.2Å; E114-Q117 VanDerWaalsContact O-CB 3.32Å; E114-Q117 WeakPolarHBondContact O-CB 3.31Å; E114-Q117 PolarHBondContact O-N 3.41Å; E114-G118 PolarHBondContact O-N 2.99Å; E114-A172 HydrophobicContact CG-CB 3.97Å; E114-V176 VanDerWaalsContact C-CG2 3.41Å
115V97.4Very high97Very high39 Ų3934.9 Ų34.924%0.23616%0.161CC..Hα-helixtrans-55.8-44.7-178.3175.10000111.5Q117 G118 E119 P175 V176 F179V115-Q117 PolarHBondContact O-N 3.08Å; V115-G118 WeakPolarHBondContact O-CA 3.29Å; V115-G118 PolarHBondContact O-N 3.26Å; V115-E119 HydrophobicContact CG1-CG 4.39Å; V115-E119 PolarHBondContact O-N 3.46Å; V115-P175 HydrophobicContact CG2-CB 4.3Å; V115-V176 HydrophobicContact CG2-CG2 4.38Å; V115-F179 HydrophobicContact CG1-CB 4.38Å; V115-F179 HydrophobicContact CG1-CD1 4.16Å; V115-F179 HydrophobicContact CG1-CD2 3.6Å; V115-F179 HydrophobicContact CG1-CE1 4.23Å; V115-F179 HydrophobicContact CG1-CE2 3.68Å; V115-F179 HydrophobicContact CG1-CG 3.81Å; V115-F179 HydrophobicContact CG1-CZ 3.96Å; V115-F179 HydrophobicContact CG2-CB 4.11Å; V115-F179 HydrophobicContact CG2-CG 4.43Å
116K97.6Very high96.9Very high132 Ų13235.5 Ų35.557%0.57417%0.167SC*.Hα-helixtrans-59.1-33.1179.5-169.6177.3-178.7-178.70113L85 E114 E119 E120L85-K116 HydrophobicContact CD1-CB 4.38Å; L85-K116 HydrophobicContact CD1-CD 4.38Å; L85-K116 HydrophobicContact CD1-CG 3.97Å; E114-K116 VanDerWaalsContact C-N 3.28Å; E114-K116 PolarHBondContact O-N 3.37Å; K116-E119 PolarHBondContact O-N 3.32Å; K116-E120 HydrophobicContact CG-CG 4.46Å; K116-E120 WeakPolarHBondContact O-CG 3.4Å; K116-E120 PolarHBondContact O-N 2.72Å
117Q98.1Very high96.8Very high5 Ų542.9 Ų42.92%0.02320%0.199CC..Hα-helixtrans-63.4-44.4174.7-68.1-175.6-7.400110.8L85 Y111 P112 E114 V115 E120 F121L85-Q117 HydrophobicContact CB-CG 4.35Å; L85-Q117 HydrophobicContact CD1-CB 4.38Å; L85-Q117 HydrophobicContact CD1-CG 3.84Å; L85-Q117 HydrophobicContact CG-CG 3.91Å; Y111-Q117 HydrophobicContact CE1-CB 4.2Å; Y111-Q117 HydrophobicContact CE2-CB 3.89Å; Y111-Q117 HydrophobicContact CE2-CG 4.23Å; Y111-Q117 PolarHBondContact OH-O 2.95Å; P112-Q117 HydrophobicContact CB-CB 3.66Å; E114-Q117 HydrophobicContact CB-CG 4.2Å; E114-Q117 VanDerWaalsContact O-CB 3.32Å; E114-Q117 WeakPolarHBondContact O-CB 3.31Å; E114-Q117 PolarHBondContact O-N 3.41Å; V115-Q117 PolarHBondContact O-N 3.08Å; Q117-E120 PolarHBondContact O-N 3.46Å; Q117-F121 WeakPolarHBondContact O-CB 3.37Å; Q117-F121 PolarHBondContact O-N 3.48Å
118G98Very high96.8Very high0 Ų043.4 Ų43.40%020%0.202CC..Hα-helixtrans-60.9-46.1175.900000112.1P112 E114 V115 E120 F121 E122 Y180P112-G118 VanDerWaalsContact CB-N 3.32Å; E114-G118 PolarHBondContact O-N 2.99Å; V115-G118 WeakPolarHBondContact O-CA 3.29Å; V115-G118 PolarHBondContact O-N 3.26Å; G118-E120 PolarHBondContact O-N 3.18Å; G118-F121 PolarHBondContact O-N 2.76Å; G118-E122 WeakPolarHBondContact O-CG 3.48Å; G118-E122 PolarHBondContact O-N 3.39Å; G118-Y180 WeakPolarHBondContact CA-OH 3.28Å
119E98Very high96.7Very high74 Ų7445.8 Ų45.835%0.34622%0.219SC..Hα-helixtrans-59.5-45.7177.5-64.9179.6139.500112.8V115 K116 E122 K123 F179V115-E119 HydrophobicContact CG1-CG 4.39Å; V115-E119 PolarHBondContact O-N 3.46Å; K116-E119 PolarHBondContact O-N 3.32Å; E119-E122 PolarHBondContact O-N 3.36Å; E119-K123 VanDerWaalsContact O-CG 3.29Å; E119-K123 WeakPolarHBondContact O-CG 3.46Å; E119-K123 PolarHBondContact O-N 2.92Å; E119-K123 VanDerWaalsContact O-N 3.08Å; E119-F179 HydrophobicContact CG-CE1 4.48Å; E119-F179 HydrophobicContact CG-CZ 3.9Å
120E98.2Very high96.8Very high36 Ų3646 Ų4617%0.16822%0.219CC..Hα-helixtrans-69.4-35.9179.5-71.1-56.4124.400112.4L85 L89 K116 Q117 G118 K123 K124L85-E120 HydrophobicContact CD1-CB 4.34Å; L85-E120 HydrophobicContact CD1-CG 4.03Å; L85-E120 HydrophobicContact CD2-CB 3.95Å; L85-E120 HydrophobicContact CD2-CG 4.06Å; L89-E120 HydrophobicContact CD2-CB 3.93Å; K116-E120 HydrophobicContact CG-CG 4.46Å; K116-E120 WeakPolarHBondContact O-CG 3.4Å; K116-E120 PolarHBondContact O-N 2.72Å; Q117-E120 PolarHBondContact O-N 3.46Å; G118-E120 PolarHBondContact O-N 3.18Å; E120-K123 PolarHBondContact O-N 3.43Å; E120-K123 IonicContact OE1-NZ 3.97Å; E120-K123 PolarHBondContact OE1-NZ 2.91Å; E120-K124 WeakPolarHBondContact O-CB 3.2Å; E120-K124 WeakPolarHBondContact O-CG 3.48Å; E120-K124 PolarHBondContact O-N 3.33Å; E120-K124 VanDerWaalsContact OE2-CE 3.29Å; E120-K124 WeakPolarHBondContact OE2-CE 3.35Å; E120-K124 IonicContact OE2-NZ 3.57Å
121F97.9Very high97.2Very high0 Ų045.5 Ų45.50%021%0.214CC..Hα-helixtrans-60.7-46.4172.1-175.8-73.6000111.4I26 F28 L89 I92 M96 I108 Y111 Q117 G118 K123 K124 I125 G126I26-F121 HydrophobicContact CD1-CE1 4.04Å; I26-F121 HydrophobicContact CD1-CZ 4.32Å; I26-F121 HydrophobicContact CG2-CE1 3.94Å; I26-F121 HydrophobicContact CG2-CZ 4.03Å; F28-F121 AromaticContact CE1-CD1 3.76Å; F28-F121 HydrophobicContact CE1-CD1 3.76Å; F28-F121 HydrophobicContact CE1-CD2 4.25Å; F28-F121 AromaticContact CE1-CE1 3.67Å; F28-F121 HydrophobicContact CE1-CE1 3.67Å; F28-F121 HydrophobicContact CE1-CE2 4.16Å; F28-F121 HydrophobicContact CE1-CG 4.07Å; F28-F121 AromaticContact CE1-CZ 3.89Å; F28-F121 HydrophobicContact CE1-CZ 3.89Å; F28-F121 HydrophobicContact CZ-CB 4.27Å; F28-F121 AromaticContact CZ-CD1 3.45Å; F28-F121 HydrophobicContact CZ-CD1 3.45Å; F28-F121 VanDerWaalsContact CZ-CD1 3.45Å; F28-F121 HydrophobicContact CZ-CD2 4.38Å; F28-F121 AromaticContact CZ-CE1 3.83Å; F28-F121 HydrophobicContact CZ-CE1 3.83Å; F28-F121 AromaticContact CZ-CG 3.78Å; F28-F121 HydrophobicContact CZ-CG 3.78Å; F28-F121 HydrophobicContact CZ-CZ 4.44Å; L89-F121 HydrophobicContact CD1-CB 4Å; L89-F121 HydrophobicContact CD1-CD2 3.78Å; L89-F121 HydrophobicContact CD1-CG 4.24Å; I92-F121 HydrophobicContact CG2-CE2 3.85Å; M96-F121 HydrophobicContact CE-CZ 4.38Å; M96-F121 HydrophobicContact SD-CE2 4.14Å; M96-F121 HydrophobicContact SD-CZ 3.9Å; I108-F121 HydrophobicContact CD1-CZ 4.46Å; I108-F121 HydrophobicContact CG1-CE2 4.27Å; I108-F121 HydrophobicContact CG1-CZ 4.12Å; Y111-F121 HydrophobicContact CD1-CD2 4.18Å; Y111-F121 HydrophobicContact CE1-CB 3.73Å; Y111-F121 AromaticContact CE1-CD2 3.65Å; Y111-F121 HydrophobicContact CE1-CD2 3.65Å; Y111-F121 HydrophobicContact CE1-CG 4Å; Q117-F121 WeakPolarHBondContact O-CB 3.37Å; Q117-F121 PolarHBondContact O-N 3.48Å; G118-F121 PolarHBondContact O-N 2.76Å; F121-K123 VanDerWaalsContact C-N 3.31Å; F121-K123 PolarHBondContact O-N 3.03Å; F121-K124 PolarHBondContact O-N 3.47Å; F121-I125 HydrophobicContact CD1-CB 4.18Å; F121-I125 HydrophobicContact CD2-CD1 3.72Å; F121-I125 HydrophobicContact CE1-CB 4Å; F121-I125 HydrophobicContact CE1-CG2 3.88Å; F121-I125 HydrophobicContact CE2-CB 4.34Å; F121-I125 HydrophobicContact CE2-CD1 3.59Å; F121-I125 HydrophobicContact CE2-CG2 4.23Å; F121-I125 HydrophobicContact CG-CB 4.41Å; F121-I125 HydrophobicContact CG-CD1 4.35Å; F121-I125 HydrophobicContact CZ-CB 4.08Å; F121-I125 HydrophobicContact CZ-CD1 4.14Å; F121-I125 HydrophobicContact CZ-CG2 3.69Å; F121-I125 WeakPolarHBondContact O-CA 3.36Å; F121-I125 WeakPolarHBondContact O-CB 3.48Å; F121-I125 PolarHBondContact O-N 2.89Å; F121-G126 WeakPolarHBondContact CD1-O 3.3Å; F121-G126 WeakPolarHBondContact CE1-O 3.37Å; F121-G126 PolarHBondContact O-N 3.25Å; F121-G126 VanDerWaalsContact O-N 3.14Å
122E96.6Very high97.2Very high29 Ų2945.5 Ų45.514%0.13621%0.214CC..Hα-helixtrans-62.4-38178.4-70.8-177.6-133.600112.9G118 E119 G126 K127 Y180 R183G118-E122 WeakPolarHBondContact O-CG 3.48Å; G118-E122 PolarHBondContact O-N 3.39Å; E119-E122 PolarHBondContact O-N 3.36Å; E122-G126 WeakPolarHBondContact CA-O 3.44Å; E122-K127 HydrophobicContact CB-CG 4.33Å; E122-K127 HydrophobicContact CG-CG 4.2Å; E122-Y180 WeakPolarHBondContact OE1-CE1 3.36Å; E122-Y180 VanDerWaalsContact OE1-CZ 3.3Å; E122-Y180 PolarHBondContact OE1-OH 3.48Å; E122-R183 IonicContact OE1-CZ 3.76Å; E122-R183 IonicContact OE1-NH1 3.37Å; E122-R183 PolarHBondContact OE1-NH1 3.47Å; E122-R183 IonicContact OE1-NH2 3.73Å; E122-R183 IonicContact OE2-CZ 2.99Å; E122-R183 IonicContact OE2-NH1 2.97Å; E122-R183 PolarHBondContact OE2-NH1 2.9Å; E122-R183 IonicContact OE2-NH2 2.63Å
123K95.9Very high97.3Very high144 Ų14446 Ų4663%0.62622%0.217SC*.Hα-helixtrans-69.3-44.1177.6-70.5170.9-163.8168.60112.4E119 E120 F121E119-K123 VanDerWaalsContact O-CG 3.29Å; E119-K123 WeakPolarHBondContact O-CG 3.46Å; E119-K123 PolarHBondContact O-N 2.92Å; E119-K123 VanDerWaalsContact O-N 3.08Å; E120-K123 PolarHBondContact O-N 3.43Å; E120-K123 IonicContact OE1-NZ 3.97Å; E120-K123 PolarHBondContact OE1-NZ 2.91Å; F121-K123 VanDerWaalsContact C-N 3.31Å; F121-K123 PolarHBondContact O-N 3.03Å
124K94.4Very high97.4Very high75 Ų7542.3 Ų42.333%0.32620%0.203SC..Hα-helixtrans-94.8-25.1-169.8-62-171.1-165.5170.20113.8Q18 D86 L89 E120 F121Q18-K124 PolarHBondContact NE2-O 3.42Å; D86-K124 IonicContact OD1-NZ 3.95Å; D86-K124 PolarHBondContact OD1-NZ 3Å; L89-K124 HydrophobicContact CD2-CB 4.44Å; L89-K124 HydrophobicContact CD2-CD 3.73Å; L89-K124 HydrophobicContact CD2-CG 4.43Å; E120-K124 WeakPolarHBondContact O-CB 3.2Å; E120-K124 WeakPolarHBondContact O-CG 3.48Å; E120-K124 PolarHBondContact O-N 3.33Å; E120-K124 VanDerWaalsContact OE2-CE 3.29Å; E120-K124 WeakPolarHBondContact OE2-CE 3.35Å; E120-K124 IonicContact OE2-NZ 3.57Å; F121-K124 PolarHBondContact O-N 3.47Å
125I95.2Very high97.4Very high16 Ų1640.5 Ų40.58%0.08220%0.195CC..THydrogen-bonded Turntrans-120.1-67.4-173.6-59.5-178.5000110.7I21 I26 L89 K93 M96 F121I21-I125 HydrophobicContact CD1-CG2 3.91Å; I26-I125 HydrophobicContact CD1-CG2 4.49Å; L89-I125 HydrophobicContact CD1-CD1 3.49Å; L89-I125 VanDerWaalsContact CD1-CD1 3.49Å; L89-I125 HydrophobicContact CD1-CG1 4.18Å; K93-I125 HydrophobicContact CB-CD1 3.76Å; K93-I125 HydrophobicContact CB-CG1 4.31Å; K93-I125 HydrophobicContact CD-CG1 4.46Å; K93-I125 HydrophobicContact CG-CD1 4.18Å; K93-I125 HydrophobicContact CG-CG1 4.21Å; M96-I125 HydrophobicContact CE-CG2 3.69Å; M96-I125 HydrophobicContact SD-CD1 4.46Å; M96-I125 HydrophobicContact SD-CG2 3.85Å; F121-I125 HydrophobicContact CD1-CB 4.18Å; F121-I125 HydrophobicContact CD2-CD1 3.72Å; F121-I125 HydrophobicContact CE1-CB 4Å; F121-I125 HydrophobicContact CE1-CG2 3.88Å; F121-I125 HydrophobicContact CE2-CB 4.34Å; F121-I125 HydrophobicContact CE2-CD1 3.59Å; F121-I125 HydrophobicContact CE2-CG2 4.23Å; F121-I125 HydrophobicContact CG-CB 4.41Å; F121-I125 HydrophobicContact CG-CD1 4.35Å; F121-I125 HydrophobicContact CZ-CB 4.08Å; F121-I125 HydrophobicContact CZ-CD1 4.14Å; F121-I125 HydrophobicContact CZ-CG2 3.69Å; F121-I125 WeakPolarHBondContact O-CA 3.36Å; F121-I125 WeakPolarHBondContact O-CB 3.48Å; F121-I125 PolarHBondContact O-N 2.89Å
126G95.3Very high97.4Very high14 Ų1438.9 Ų38.914%0.14419%0.186CC..  trans167.1164-175.400000113F121 E122F121-G126 WeakPolarHBondContact CD1-O 3.3Å; F121-G126 WeakPolarHBondContact CE1-O 3.37Å; F121-G126 PolarHBondContact O-N 3.25Å; F121-G126 VanDerWaalsContact O-N 3.14Å; E122-G126 WeakPolarHBondContact CA-O 3.44Å
127K96.7Very high97.4Very high159 Ų15938.9 Ų38.969%0.69119%0.186SC*.  trans-80.9137.7-177.7-65.5-176.4177.2-179.60111.7E122E122-K127 HydrophobicContact CB-CG 4.33Å; E122-K127 HydrophobicContact CG-CG 4.2Å
128P98Very high97.3Very high11 Ų1140 Ų407%0.07120%0.196CC..  trans-67.4139.5168.831.6-36.7000110I26 F28 Y180 I185I26-P128 HydrophobicContact CG2-CB 4.3Å; I26-P128 CarbonylContact O-C 3.59Å; I26-P128 VanDerWaalsContact O-CA 3.27Å; I26-P128 WeakPolarHBondContact O-CA 3.4Å; F28-P128 HydrophobicContact CD1-CB 4.27Å; F28-P128 HydrophobicContact CD2-CB 3.81Å; F28-P128 HydrophobicContact CD2-CG 3.69Å; F28-P128 HydrophobicContact CE1-CB 4.41Å; F28-P128 HydrophobicContact CE2-CB 3.95Å; F28-P128 HydrophobicContact CE2-CG 3.53Å; F28-P128 HydrophobicContact CG-CB 3.99Å; F28-P128 HydrophobicContact CG-CG 4.39Å; F28-P128 HydrophobicContact CZ-CB 4.26Å; F28-P128 HydrophobicContact CZ-CG 4.11Å; P128-Y180 HydrophobicContact CG-CE1 3.94Å; P128-I185 HydrophobicContact CB-CD1 4.31Å; P128-I185 HydrophobicContact CG-CD1 3.76Å
129C97.6Very high97.2Very high51 Ų5146.6 Ų46.635%0.34523%0.227SC..SBendtrans-84.3-20.916959.60000112.3I26I26-C129 PolarHBondContact O-N 3.42Å; I26-C129 PolarHBondContact O-SG 2.99Å
130L98.5Very high97.2Very high13 Ų1344.3 Ų44.37%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-147.9143178.6-17572.8000110I27 F28 I185 K187 A205 I206 L209I27-L130 WeakPolarHBondContact CA-O 3.41Å; I27-L130 HydrophobicContact CD1-CD2 4.27Å; I27-L130 HydrophobicContact CG1-CB 4.13Å; I27-L130 HydrophobicContact CG2-CB 4.12Å; I27-L130 HydrophobicContact CG2-CD2 4.09Å; I27-L130 HydrophobicContact CG2-CG 4.32Å; F28-L130 PolarHBondContact N-O 3.09Å; L130-I185 WeakPolarHBondContact CD1-O 3.43Å; L130-K187 HydrophobicContact CD1-CB 3.91Å; L130-A205 HydrophobicContact CD2-CB 4.46Å; L130-I206 HydrophobicContact CD2-CG1 4.41Å; L130-L209 HydrophobicContact CB-CD1 4.07Å; L130-L209 HydrophobicContact CB-CD2 4.14Å; L130-L209 HydrophobicContact CD1-CD2 4.43Å; L130-L209 HydrophobicContact CD2-CD1 4.19Å
131L98.7Very high97.2Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-110.5109.2159.9-173.4159.4000108.5F28 V30 Y133 V176 Y180 I185 V186 K187F28-L131 HydrophobicContact CB-CB 4.42Å; F28-L131 HydrophobicContact CB-CG 4.13Å; F28-L131 CarbonylContact O-C 3.5Å; F28-L131 WeakPolarHBondContact O-CA 3.29Å; V30-L131 HydrophobicContact CB-CD2 4.03Å; V30-L131 HydrophobicContact CB-CG 4.42Å; V30-L131 HydrophobicContact CG2-CD1 4Å; V30-L131 HydrophobicContact CG2-CD2 4.14Å; V30-L131 HydrophobicContact CG2-CG 3.98Å; L131-Y133 PolarHBondContact O-N 3.42Å; L131-V176 HydrophobicContact CD1-CG1 4.2Å; L131-Y180 HydrophobicContact CD1-CD2 3.36Å; L131-Y180 HydrophobicContact CD1-CE2 4.18Å; L131-Y180 HydrophobicContact CD1-CG 3.67Å; L131-I185 HydrophobicContact CB-CG1 4.48Å; L131-I185 PolarHBondContact N-O 3.46Å; L131-V186 HydrophobicContact CB-CG2 4.16Å; L131-V186 HydrophobicContact CD2-CG1 4.28Å; L131-V186 HydrophobicContact CD2-CG2 4.18Å; L131-V186 CarbonylContact O-C 3.55Å; L131-V186 WeakPolarHBondContact O-CA 3.47Å; L131-K187 PolarHBondContact O-N 3.3Å
132L98.6Very high97Very high1 Ų145.1 Ų45.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-84.1107.8173.4-179.765.4000109.3I27 F28 V29 V30 I44 V134 K187 V189 V202I27-L132 HydrophobicContact CG2-CB 4.2Å; F28-L132 PolarHBondContact O-N 3.17Å; V29-L132 HydrophobicContact CG1-CD2 4.32Å; V30-L132 PolarHBondContact N-O 2.91Å; I44-L132 HydrophobicContact CD1-CD2 4.1Å; L132-V134 HydrophobicContact CD2-CG2 4.34Å; L132-V134 HydrophobicContact CG-CG2 4.18Å; L132-K187 HydrophobicContact CD1-CB 4.44Å; L132-K187 HydrophobicContact CD1-CG 4.29Å; L132-V189 HydrophobicContact CD1-CG1 3.91Å; L132-V189 HydrophobicContact CD1-CG2 4.16Å; L132-V202 HydrophobicContact CD1-CG2 4Å; L132-V202 HydrophobicContact CD2-CG1 3.93Å; L132-V202 HydrophobicContact CD2-CG2 3.96Å
133Y98.5Very high97Very high13 Ų1351.6 Ų51.65%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-92.6107.3175.6175.3-146.4000110.6V30 L131 D135 Y169 I177 K187 K188 V189V30-Y133 WeakPolarHBondContact O-CA 3.41Å; L131-Y133 PolarHBondContact O-N 3.42Å; Y133-D135 HydrophobicContact CD1-CB 4.26Å; Y133-D135 HydrophobicContact CE1-CB 3.69Å; Y133-D135 HydrophobicContact CE2-CB 4Å; Y133-D135 PolarHBondContact O-N 3.45Å; Y133-D135 PolarHBondContact OH-OD1 3.31Å; Y133-Y169 VanDerWaalsContact CE2-OH 3.27Å; Y133-Y169 WeakPolarHBondContact CE2-OH 3.32Å; Y133-Y169 PolarHBondContact OH-OH 3.17Å; Y133-Y169 VanDerWaalsContact OH-OH 3.1Å; Y133-I177 HydrophobicContact CD1-CD1 4Å; Y133-I177 HydrophobicContact CD1-CG2 3.94Å; Y133-I177 HydrophobicContact CD2-CD1 3.62Å; Y133-I177 HydrophobicContact CD2-CG1 4.29Å; Y133-I177 HydrophobicContact CE1-CD1 3.78Å; Y133-I177 HydrophobicContact CE1-CG2 4.38Å; Y133-I177 HydrophobicContact CE2-CD1 3.41Å; Y133-I177 VanDerWaalsContact CE2-CD1 3.41Å; Y133-I177 HydrophobicContact CG-CD1 3.93Å; Y133-I177 HydrophobicContact CG-CG1 4.34Å; Y133-I177 HydrophobicContact CG-CG2 4.29Å; Y133-I177 VanDerWaalsContact CZ-CD1 3.47Å; Y133-K187 PolarHBondContact N-O 3.31Å; Y133-K188 HydrophobicContact CD1-CB 4.13Å; Y133-K188 HydrophobicContact CD1-CD 4Å; Y133-K188 HydrophobicContact CD1-CG 3.74Å; Y133-K188 HydrophobicContact CE1-CD 4.1Å; Y133-K188 HydrophobicContact CE1-CG 4.22Å; Y133-K188 CarbonylContact O-C 3.53Å; Y133-K188 WeakPolarHBondContact O-CA 3.17Å; Y133-V189 WeakPolarHBondContact O-CG2 3.4Å; Y133-V189 PolarHBondContact O-N 3.47Å
134V98.3Very high97Very high0 Ų049 Ų490%024%0.239CC..EExtended strand (participates in β ladder)trans-91.190.7175.8-171.80000108.9V29 V30 S35 K37 L132 V189V29-V134 HydrophobicContact CG1-CG2 4.14Å; V30-V134 PolarHBondContact O-N 3.45Å; S35-V134 VanDerWaalsContact CB-O 3.3Å; S35-V134 WeakPolarHBondContact CB-O 3.36Å; S35-V134 VanDerWaalsContact O-CG1 3.22Å; S35-V134 WeakPolarHBondContact O-CG1 3.22Å; S35-V134 PolarHBondContact OG-O 2.88Å; K37-V134 HydrophobicContact CG-CB 4.07Å; K37-V134 HydrophobicContact CG-CG2 4.12Å; L132-V134 HydrophobicContact CD2-CG2 4.34Å; L132-V134 HydrophobicContact CG-CG2 4.18Å; V134-V189 HydrophobicContact CB-CG2 4.33Å; V134-V189 HydrophobicContact CG1-CG2 4.4Å; V134-V189 HydrophobicContact CG2-CG2 4.1Å
135D97.8Very high96.9Very high38 Ų3845.4 Ų45.420%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-82.6135.1-175.5-171.117.6000111.2Y133 K188 V189 S191Y133-D135 HydrophobicContact CD1-CB 4.26Å; Y133-D135 HydrophobicContact CE1-CB 3.69Å; Y133-D135 HydrophobicContact CE2-CB 4Å; Y133-D135 PolarHBondContact O-N 3.45Å; Y133-D135 PolarHBondContact OH-OD1 3.31Å; D135-K188 HydrophobicContact CB-CG 4.32Å; D135-K188 WeakPolarHBondContact OD2-CE 3.31Å; D135-K188 IonicContact OD2-NZ 3.98Å; D135-K188 PolarHBondContact OD2-NZ 3.32Å; D135-V189 PolarHBondContact N-O 2.85Å; D135-S191 WeakPolarHBondContact O-CA 3.28Å; D135-S191 WeakPolarHBondContact O-CB 3.47Å; D135-S191 PolarHBondContact O-N 3.45Å
136A97.6Very high96.8Very high6 Ų648.3 Ų48.35%0.0524%0.239CC..  trans-149.2149.317800000109.4M141 E192A136-M141 HydrophobicContact CB-CG 3.86Å; A136-M141 HydrophobicContact CB-SD 4.44Å; A136-M141 WeakPolarHBondContact O-CE 3.48Å; A136-E192 WeakPolarHBondContact CA-OE1 3.5Å
137K97.6Very high96.6Very high131 Ų13154.3 Ų54.357%0.5726%0.261SS*.  trans-68.1151.2175.7-64178.1-177.8174.80111.1E139 T140 M141 E192K137-E139 VanDerWaalsContact C-N 3.28Å; K137-E139 PolarHBondContact O-N 3.25Å; K137-T140 PolarHBondContact O-N 3.47Å; K137-M141 WeakPolarHBondContact O-CG 3.17Å; K137-M141 PolarHBondContact O-N 2.94Å; K137-E192 HydrophobicContact CD-CG 4.39Å; K137-E192 HydrophobicContact CG-CG 4.29Å; K137-E192 PolarHBondContact N-OE1 3.49Å
138A96.3Very high96.4Very high29 Ų2949.8 Ų49.824%0.2424%0.24CC..Hα-helixtrans-55.6-44178.500000112T140 M141 V142A138-T140 PolarHBondContact O-N 2.75Å; A138-M141 WeakPolarHBondContact O-CB 3.32Å; A138-M141 PolarHBondContact O-N 3.28Å; A138-V142 WeakPolarHBondContact O-CG2 3.23Å; A138-V142 PolarHBondContact O-N 3.25Å
139E96.3Very high95.9Very high138 Ų13850.7 Ų50.765%0.64525%0.251SS*.Hα-helixtrans-64.3-42.2-179-57.674.9-160.900111.1K137 V142 K143K137-E139 VanDerWaalsContact C-N 3.28Å; K137-E139 PolarHBondContact O-N 3.25Å; E139-V142 PolarHBondContact O-N 3.09Å; E139-K143 VanDerWaalsContact O-CB 3.3Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 PolarHBondContact O-N 3.32Å
140T97.3Very high95.5Very high27 Ų2754.9 Ų54.917%0.16627%0.265CS..Hα-helixtrans-62.6-44.4175.5-66.60000110.9K137 A138 K143 R144 E192K137-T140 PolarHBondContact O-N 3.47Å; A138-T140 PolarHBondContact O-N 2.75Å; T140-K143 PolarHBondContact O-N 3.06Å; T140-R144 HydrophobicContact CG2-CG 4.5Å; T140-R144 VanDerWaalsContact CG2-CZ 3.44Å; T140-R144 WeakPolarHBondContact O-CB 3.38Å; T140-R144 VanDerWaalsContact O-CG 3.26Å; T140-R144 WeakPolarHBondContact O-CG 3.49Å; T140-R144 PolarHBondContact O-N 2.62Å; T140-E192 VanDerWaalsContact CB-OE1 3.3Å; T140-E192 WeakPolarHBondContact CB-OE1 3.48Å; T140-E192 PolarHBondContact OG1-OE1 2.81Å; T140-E192 PolarHBondContact OG1-OE2 3.36Å
141M97.1Very high94.9Very high1 Ų160 Ų601%0.00530%0.297CS..Hα-helixtrans-60.9-50.4176.3-75-167.7-71.200112.2G32 P33 A136 K137 A138 K143 R144 L145 L166 Y170G32-M141 WeakPolarHBondContact CA-SD 3.23Å; P33-M141 VanDerWaalsContact O-CB 3.24Å; P33-M141 WeakPolarHBondContact O-CB 3.38Å; P33-M141 WeakPolarHBondContact O-CG 3.46Å; P33-M141 VanDerWaalsContact O-SD 3.39Å; A136-M141 HydrophobicContact CB-CG 3.86Å; A136-M141 HydrophobicContact CB-SD 4.44Å; A136-M141 WeakPolarHBondContact O-CE 3.48Å; K137-M141 WeakPolarHBondContact O-CG 3.17Å; K137-M141 PolarHBondContact O-N 2.94Å; A138-M141 WeakPolarHBondContact O-CB 3.32Å; A138-M141 PolarHBondContact O-N 3.28Å; M141-K143 PolarHBondContact O-N 3.14Å; M141-R144 PolarHBondContact O-N 3.37Å; M141-L145 WeakPolarHBondContact O-CB 3.29Å; M141-L145 WeakPolarHBondContact O-CG 3.37Å; M141-L145 PolarHBondContact O-N 3.26Å; M141-L166 HydrophobicContact CB-CD2 4.06Å; M141-L166 HydrophobicContact CE-CD2 3.51Å; M141-L166 HydrophobicContact SD-CD2 3.92Å; M141-Y170 WeakPolarHBondContact CE-OH 3.42Å
142V95.6Very high94.1Very high51 Ų5162.1 Ų62.131%0.30931%0.312SS..Hα-helixtrans-57.5-50.3177.3172.90000110.7A138 E139 R144 L145 L146 I162 L166A138-V142 WeakPolarHBondContact O-CG2 3.23Å; A138-V142 PolarHBondContact O-N 3.25Å; E139-V142 PolarHBondContact O-N 3.09Å; V142-R144 VanDerWaalsContact C-N 3.32Å; V142-R144 PolarHBondContact O-N 3.2Å; V142-L145 PolarHBondContact O-N 2.68Å; V142-L145 VanDerWaalsContact O-N 3.16Å; V142-L146 HydrophobicContact CG1-CD1 3.85Å; V142-L146 HydrophobicContact CG1-CG 4.33Å; V142-L146 WeakPolarHBondContact O-CG 3.38Å; V142-L146 PolarHBondContact O-N 2.85Å; V142-I162 HydrophobicContact CG2-CG2 4.09Å; V142-L166 HydrophobicContact CG2-CD1 3.35Å
143K95.4Very high93.3Very high166 Ų16665.8 Ų65.872%0.72235%0.35SS*.Hα-helixtrans-57.4-44.6-179.9-177.8178.8178.1-179.90111.9E139 T140 M141 K147E139-K143 VanDerWaalsContact O-CB 3.3Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 PolarHBondContact O-N 3.32Å; T140-K143 PolarHBondContact O-N 3.06Å; M141-K143 PolarHBondContact O-N 3.14Å; K143-K147 WeakPolarHBondContact O-CB 3.36Å; K143-K147 PolarHBondContact O-N 3.19Å; K143-K147 VanDerWaalsContact O-N 3.17Å
144R95.5Very high92.6Very high88 Ų8868.5 Ų68.533%0.33236%0.36SS..Hα-helixtrans-67.2-38.1178.4-72.8173.1179.6176.63.2112.1G34 S35 T140 M141 V142 R148 S191G34-R144 WeakPolarHBondContact O-CD 3.33Å; S35-R144 PolarHBondContact O-NH1 2.71Å; T140-R144 HydrophobicContact CG2-CG 4.5Å; T140-R144 VanDerWaalsContact CG2-CZ 3.44Å; T140-R144 WeakPolarHBondContact O-CB 3.38Å; T140-R144 VanDerWaalsContact O-CG 3.26Å; T140-R144 WeakPolarHBondContact O-CG 3.49Å; T140-R144 PolarHBondContact O-N 2.62Å; M141-R144 PolarHBondContact O-N 3.37Å; V142-R144 VanDerWaalsContact C-N 3.32Å; V142-R144 PolarHBondContact O-N 3.2Å; R144-R148 WeakPolarHBondContact O-CB 2.81Å; R144-R148 PolarHBondContact O-N 3.45Å; R144-S191 PolarHBondContact NH1-O 3.28Å; R144-S191 PolarHBondContact NH1-OG 3.22Å; R144-S191 VanDerWaalsContact NH1-OG 3.12Å; R144-S191 PolarHBondContact NH2-O 2.88Å
145L93.4Very high91.8Very high0 Ų071.9 Ų71.90%038%0.384CS..Hα-helixtrans-67.5-45.6178.6-70.4168.8000112P33 M141 V142 R148 G149 I162P33-L145 HydrophobicContact CB-CD1 3.86Å; P33-L145 HydrophobicContact CB-CD2 4.17Å; P33-L145 HydrophobicContact CG-CD1 4.09Å; P33-L145 WeakPolarHBondContact O-CD1 3.37Å; M141-L145 WeakPolarHBondContact O-CB 3.29Å; M141-L145 WeakPolarHBondContact O-CG 3.37Å; M141-L145 PolarHBondContact O-N 3.26Å; V142-L145 PolarHBondContact O-N 2.68Å; V142-L145 VanDerWaalsContact O-N 3.16Å; L145-R148 PolarHBondContact O-N 3.13Å; L145-R148 VanDerWaalsContact O-N 3.16Å; L145-G149 PolarHBondContact O-N 2.68Å; L145-I162 HydrophobicContact CB-CD1 3.61Å; L145-I162 HydrophobicContact CB-CG1 3.87Å; L145-I162 HydrophobicContact CD1-CB 4.38Å; L145-I162 HydrophobicContact CD1-CG1 3.99Å; L145-I162 HydrophobicContact CD1-CG2 3.75Å; L145-I162 HydrophobicContact CG-CG1 4.49Å
146L91.8Very high91Very high77 Ų7770.7 Ų70.740%0.40338%0.378SS..Hα-helixtrans-59.6-48.9176.5-69.4171.7000111.2V142 R148 G149 E150 I162V142-L146 HydrophobicContact CG1-CD1 3.85Å; V142-L146 HydrophobicContact CG1-CG 4.33Å; V142-L146 WeakPolarHBondContact O-CG 3.38Å; V142-L146 PolarHBondContact O-N 2.85Å; L146-R148 PolarHBondContact O-N 3.29Å; L146-G149 PolarHBondContact O-N 3.49Å; L146-E150 PolarHBondContact O-N 2.94Å; L146-I162 HydrophobicContact CD2-CD1 3.77Å; L146-I162 HydrophobicContact CG-CD1 4.1Å
147K92.7Very high90.4Very high140 Ų14070.9 Ų70.961%0.60938%0.378SS*.Hα-helixtrans-56-38.3175.3-171.578.3-177.7176.20112.4K143K143-K147 WeakPolarHBondContact O-CB 3.36Å; K143-K147 PolarHBondContact O-N 3.19Å; K143-K147 VanDerWaalsContact O-N 3.17Å
148R90.9Very high89.8Confident65 Ų6567.7 Ų67.725%0.24537%0.367CS..Hα-helixtrans-74-34178.4-169.8178.170.5-154.3-1.3112.2R144 L145 L146 E150 T151 S152 R154 D157R144-R148 WeakPolarHBondContact O-CB 2.81Å; R144-R148 PolarHBondContact O-N 3.45Å; L145-R148 PolarHBondContact O-N 3.13Å; L145-R148 VanDerWaalsContact O-N 3.16Å; L146-R148 PolarHBondContact O-N 3.29Å; R148-E150 PolarHBondContact O-N 3.22Å; R148-T151 PolarHBondContact O-N 3.45Å; R148-T151 PolarHBondContact O-OG1 3.02Å; R148-S152 VanDerWaalsContact O-CB 3.22Å; R148-S152 WeakPolarHBondContact O-CB 3.34Å; R148-S152 PolarHBondContact O-N 2.77Å; R148-S152 PolarHBondContact O-OG 3.35Å; R148-R154 VanDerWaalsContact CZ-NH1 3.29Å; R148-D157 IonicContact CZ-OD1 3.28Å; R148-D157 IonicContact CZ-OD2 2.65Å; R148-D157 VanDerWaalsContact CZ-OD2 3.25Å; R148-D157 IonicContact NE-OD1 3.8Å; R148-D157 IonicContact NE-OD2 3.83Å; R148-D157 PolarHBondContact NE-OD2 3.1Å; R148-D157 VanDerWaalsContact NH2-CG 3.28Å; R148-D157 IonicContact NH2-OD1 2.86Å; R148-D157 PolarHBondContact NH2-OD1 3.48Å; R148-D157 IonicContact NH2-OD2 3.41Å; R148-D157 PolarHBondContact NH2-OD2 2.92Å
149G88.1Confident89.4Confident29 Ų2972.1 Ų72.130%0.29938%0.383SS..Hα-helixtrans-59-32.3174.900000112.8L145 L146 T151L145-G149 PolarHBondContact O-N 2.68Å; L146-G149 PolarHBondContact O-N 3.49Å; G149-T151 PolarHBondContact O-N 3.11Å
150E89.3Confident89.1Confident139 Ų13971.2 Ų71.265%0.6538%0.379SS*.THydrogen-bonded Turntrans-63.1-25.2177.3-64.5167-163.600113.8L146 R148L146-E150 PolarHBondContact O-N 2.94Å; R148-E150 PolarHBondContact O-N 3.22Å
151T86.4Confident88.8Confident120 Ų12070.2 Ų70.274%0.73637%0.373SS*.THydrogen-bonded Turntrans-129.4-25.3-16651.40000115R148 G149R148-T151 PolarHBondContact O-N 3.45Å; R148-T151 PolarHBondContact O-OG1 3.02Å; G149-T151 PolarHBondContact O-N 3.11Å
152S81.4Confident88.6Confident46 Ų4670.3 Ų70.332%0.32237%0.373SS..SBendtrans-87.9-12.1-166.665.50000115.7R148 R154R148-S152 VanDerWaalsContact O-CB 3.22Å; R148-S152 WeakPolarHBondContact O-CB 3.34Å; R148-S152 PolarHBondContact O-N 2.77Å; R148-S152 PolarHBondContact O-OG 3.35Å; S152-R154 PolarHBondContact O-N 3.1Å; S152-R154 WeakPolarHBondContact OG-CB 3.46Å; S152-R154 WeakPolarHBondContact OG-CG 3.3Å; S152-R154 PolarHBondContact OG-N 3.06Å
153G82.9Confident88.5Confident78 Ų7874 Ų7480%0.80439%0.385SS*.  trans68.210.4-172.500000114.4S155G153-S155 PolarHBondContact O-N 3.35Å
154R83.1Confident88.4Confident69 Ų6970.1 Ų70.126%0.2637%0.368SS..  trans-75.7110177.4-70179.2-177.3-160.60.4110.4D57 R148 S152 D156 D157D57-R154 IonicContact OD1-NH2 3.69Å; R148-R154 VanDerWaalsContact CZ-NH1 3.29Å; S152-R154 PolarHBondContact O-N 3.1Å; S152-R154 WeakPolarHBondContact OG-CB 3.46Å; S152-R154 WeakPolarHBondContact OG-CG 3.3Å; S152-R154 PolarHBondContact OG-N 3.06Å; R154-D156 PolarHBondContact O-N 2.99Å; R154-D157 HydrophobicContact CB-CB 4.18Å; R154-D157 VanDerWaalsContact CD-OD2 3.31Å; R154-D157 WeakPolarHBondContact CD-OD2 3.47Å; R154-D157 PolarHBondContact O-N 3.3Å
155S81.1Confident88.3Confident71 Ų7167.5 Ų67.550%0.49736%0.358SS..THydrogen-bonded Turntrans-65.8-21.2178.255.50000113.6G153 D157 N158G153-S155 PolarHBondContact O-N 3.35Å; S155-D157 VanDerWaalsContact C-N 3.33Å; S155-N158 PolarHBondContact O-ND2 3.1Å
156D80.1Confident88.4Confident13 Ų1368.3 Ų68.37%0.0736%0.362CS..THydrogen-bonded Turntrans-86.4617864.1-50.9000114.4R154 T161 R165R154-D156 PolarHBondContact O-N 2.99Å; D156-T161 HydrophobicContact CB-CG2 4.02Å; D156-T161 VanDerWaalsContact O-CG2 3.28Å; D156-T161 WeakPolarHBondContact O-CG2 3.41Å; D156-R165 PolarHBondContact O-NH1 2.76Å; D156-R165 IonicContact OD2-CZ 3.91Å; D156-R165 IonicContact OD2-NH1 3.62Å; D156-R165 PolarHBondContact OD2-NH1 2.7Å; D156-R165 IonicContact OD2-NH2 2.89Å
157D85.3Confident88.5Confident10 Ų1068.4 Ų68.45%0.05336%0.363CS..  trans-102.942175.3-74.3-19.5000112R148 R154 S155 R165R148-D157 IonicContact CZ-OD1 3.28Å; R148-D157 IonicContact CZ-OD2 2.65Å; R148-D157 VanDerWaalsContact CZ-OD2 3.25Å; R148-D157 IonicContact NE-OD1 3.8Å; R148-D157 IonicContact NE-OD2 3.83Å; R148-D157 PolarHBondContact NE-OD2 3.1Å; R148-D157 VanDerWaalsContact NH2-CG 3.28Å; R148-D157 IonicContact NH2-OD1 2.86Å; R148-D157 PolarHBondContact NH2-OD1 3.48Å; R148-D157 IonicContact NH2-OD2 3.41Å; R148-D157 PolarHBondContact NH2-OD2 2.92Å; R154-D157 HydrophobicContact CB-CB 4.18Å; R154-D157 VanDerWaalsContact CD-OD2 3.31Å; R154-D157 WeakPolarHBondContact CD-OD2 3.47Å; R154-D157 PolarHBondContact O-N 3.3Å; S155-D157 VanDerWaalsContact C-N 3.33Å; D157-R165 IonicContact OD1-CZ 2.68Å; D157-R165 IonicContact OD1-NH1 2.71Å; D157-R165 PolarHBondContact OD1-NH1 3.46Å; D157-R165 IonicContact OD1-NH2 2.9Å
158N86.3Confident88.6Confident64 Ų6463.6 Ų63.634%0.34234%0.344SS..SBendtrans-101.2162.2169.969.974.9000111.4S155 E160 T161 I162S155-N158 PolarHBondContact O-ND2 3.1Å; N158-E160 PolarHBondContact O-N 3.25Å; N158-E160 PolarHBondContact OD1-N 3.04Å; N158-T161 PolarHBondContact ND2-OG1 3.44Å; N158-T161 PolarHBondContact O-N 3.49Å; N158-T161 PolarHBondContact OD1-N 3.27Å; N158-T161 PolarHBondContact OD1-OG1 2.98Å; N158-I162 WeakPolarHBondContact O-CB 3.33Å; N158-I162 WeakPolarHBondContact O-CD1 3.47Å; N158-I162 WeakPolarHBondContact O-CG1 3.49Å; N158-I162 PolarHBondContact O-N 3.22Å
159E88.2Confident88.8Confident123 Ų12360.9 Ų60.958%0.57533%0.334SS*.Hα-helixtrans-56.6-43.4-172.3-168.4-174.5156.600113.9I162 K163E159-I162 PolarHBondContact O-N 3.31Å; E159-K163 WeakPolarHBondContact O-CG 3.26Å; E159-K163 PolarHBondContact O-N 3.17Å; E159-K163 VanDerWaalsContact O-N 3.15Å; E159-K163 WeakPolarHBondContact OE1-CE 3.27Å; E159-K163 IonicContact OE1-NZ 2.66Å; E159-K163 PolarHBondContact OE1-NZ 3.44Å
160E89.6Confident89.2Confident119 Ų11963.6 Ų63.656%0.55634%0.336SS*.Hα-helixtrans-64.8-48.8-179.5-169.2-166.9149.300110.9N158 I162 K163 K164N158-E160 PolarHBondContact O-N 3.25Å; N158-E160 PolarHBondContact OD1-N 3.04Å; E160-I162 VanDerWaalsContact C-N 3.33Å; E160-I162 PolarHBondContact O-N 3.16Å; E160-K163 PolarHBondContact O-N 2.96Å; E160-K164 PolarHBondContact O-N 2.89Å; E160-K164 WeakPolarHBondContact OE1-CE 3.33Å; E160-K164 IonicContact OE1-NZ 3.75Å; E160-K164 PolarHBondContact OE1-NZ 3.34Å
161T90.1Very high89.5Confident6 Ų663.8 Ų63.84%0.03733%0.334CS..Hα-helixtrans-66.9-34.8179.4-52.90000111.5Q78 D156 N158 K164 R165Q78-T161 PolarHBondContact O-OG1 3.06Å; D156-T161 HydrophobicContact CB-CG2 4.02Å; D156-T161 VanDerWaalsContact O-CG2 3.28Å; D156-T161 WeakPolarHBondContact O-CG2 3.41Å; N158-T161 PolarHBondContact ND2-OG1 3.44Å; N158-T161 PolarHBondContact O-N 3.49Å; N158-T161 PolarHBondContact OD1-N 3.27Å; N158-T161 PolarHBondContact OD1-OG1 2.98Å; T161-K164 PolarHBondContact O-N 3.16Å; T161-R165 HydrophobicContact CG2-CG 4.18Å; T161-R165 WeakPolarHBondContact O-CB 3.19Å; T161-R165 WeakPolarHBondContact O-CD 3.47Å; T161-R165 WeakPolarHBondContact O-CG 3.46Å; T161-R165 PolarHBondContact O-N 3.07Å
162I92.8Very high89.8Confident3 Ų358.9 Ų58.92%0.01531%0.306CS..Hα-helixtrans-60-47.8175.4-73.7165.9000110.8V142 L145 L146 N158 E159 E160 K164 R165 L166V142-I162 HydrophobicContact CG2-CG2 4.09Å; L145-I162 HydrophobicContact CB-CD1 3.61Å; L145-I162 HydrophobicContact CB-CG1 3.87Å; L145-I162 HydrophobicContact CD1-CB 4.38Å; L145-I162 HydrophobicContact CD1-CG1 3.99Å; L145-I162 HydrophobicContact CD1-CG2 3.75Å; L145-I162 HydrophobicContact CG-CG1 4.49Å; L146-I162 HydrophobicContact CD2-CD1 3.77Å; L146-I162 HydrophobicContact CG-CD1 4.1Å; N158-I162 WeakPolarHBondContact O-CB 3.33Å; N158-I162 WeakPolarHBondContact O-CD1 3.47Å; N158-I162 WeakPolarHBondContact O-CG1 3.49Å; N158-I162 PolarHBondContact O-N 3.22Å; E159-I162 PolarHBondContact O-N 3.31Å; E160-I162 VanDerWaalsContact C-N 3.33Å; E160-I162 PolarHBondContact O-N 3.16Å; I162-K164 PolarHBondContact O-N 3.05Å; I162-R165 PolarHBondContact O-N 3.25Å; I162-L166 HydrophobicContact CG2-CD1 4.02Å; I162-L166 PolarHBondContact O-N 3.41Å
163K93.1Very high90.3Very high127 Ų12757.1 Ų57.155%0.55229%0.293SS*.Hα-helixtrans-58.9-47.8177.9-72172.9-174.5167.30111.1E159 E160 R165 L166 D167E159-K163 WeakPolarHBondContact O-CG 3.26Å; E159-K163 PolarHBondContact O-N 3.17Å; E159-K163 VanDerWaalsContact O-N 3.15Å; E159-K163 WeakPolarHBondContact OE1-CE 3.27Å; E159-K163 IonicContact OE1-NZ 2.66Å; E159-K163 PolarHBondContact OE1-NZ 3.44Å; E160-K163 PolarHBondContact O-N 2.96Å; K163-R165 PolarHBondContact O-N 2.93Å; K163-L166 PolarHBondContact O-N 2.88Å; K163-D167 PolarHBondContact O-N 3.26Å
164K93.9Very high90.8Very high86 Ų8657.6 Ų57.637%0.37428%0.275SS..Hα-helixtrans-61-43.1178.1-69.9178.1177.7168.40112.4K79 E160 T161 I162 L166 D167 L168K79-K164 WeakPolarHBondContact O-CD 3.3Å; E160-K164 PolarHBondContact O-N 2.89Å; E160-K164 WeakPolarHBondContact OE1-CE 3.33Å; E160-K164 IonicContact OE1-NZ 3.75Å; E160-K164 PolarHBondContact OE1-NZ 3.34Å; T161-K164 PolarHBondContact O-N 3.16Å; I162-K164 PolarHBondContact O-N 3.05Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.25Å; K164-D167 PolarHBondContact O-N 3.25Å; K164-L168 VanDerWaalsContact O-CB 3.27Å; K164-L168 WeakPolarHBondContact O-CB 3.4Å; K164-L168 PolarHBondContact O-N 2.76Å
165R93.8Very high91.5Very high33 Ų3357 Ų5713%0.12528%0.28CS..Hα-helixtrans-66.3-34.9178.9-72.5167.563-173.87.2112.8P33 D156 D157 T161 I162 K163 Y169P33-R165 HydrophobicContact CB-CB 4.46Å; P33-R165 HydrophobicContact CG-CB 4.02Å; D156-R165 PolarHBondContact O-NH1 2.76Å; D156-R165 IonicContact OD2-CZ 3.91Å; D156-R165 IonicContact OD2-NH1 3.62Å; D156-R165 PolarHBondContact OD2-NH1 2.7Å; D156-R165 IonicContact OD2-NH2 2.89Å; D157-R165 IonicContact OD1-CZ 2.68Å; D157-R165 IonicContact OD1-NH1 2.71Å; D157-R165 PolarHBondContact OD1-NH1 3.46Å; D157-R165 IonicContact OD1-NH2 2.9Å; T161-R165 HydrophobicContact CG2-CG 4.18Å; T161-R165 WeakPolarHBondContact O-CB 3.19Å; T161-R165 WeakPolarHBondContact O-CD 3.47Å; T161-R165 WeakPolarHBondContact O-CG 3.46Å; T161-R165 PolarHBondContact O-N 3.07Å; I162-R165 PolarHBondContact O-N 3.25Å; K163-R165 PolarHBondContact O-N 2.93Å; R165-Y169 WeakPolarHBondContact O-CB 3.49Å; R165-Y169 PolarHBondContact O-N 2.91Å
166L95.1Very high92.3Very high16 Ų1653.7 Ų53.78%0.08426%0.256CS..Hα-helixtrans-70.6-46.1174.7-77.7169000111.5P33 M141 V142 I162 K163 K164 L168 Y169 Y170P33-L166 HydrophobicContact CG-CD2 3.83Å; P33-L166 HydrophobicContact CG-CG 4.08Å; M141-L166 HydrophobicContact CB-CD2 4.06Å; M141-L166 HydrophobicContact CE-CD2 3.51Å; M141-L166 HydrophobicContact SD-CD2 3.92Å; V142-L166 HydrophobicContact CG2-CD1 3.35Å; I162-L166 HydrophobicContact CG2-CD1 4.02Å; I162-L166 PolarHBondContact O-N 3.41Å; K163-L166 PolarHBondContact O-N 2.88Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.25Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 3.39Å; L166-Y169 WeakPolarHBondContact O-CB 3.24Å; L166-Y169 PolarHBondContact O-N 3.49Å; L166-Y169 VanDerWaalsContact O-N 3.16Å; L166-Y170 WeakPolarHBondContact O-CD2 3.46Å; L166-Y170 PolarHBondContact O-N 3.3Å; L166-Y170 VanDerWaalsContact O-N 3.09Å
167D95.3Very high93.1Very high80 Ų8053.4 Ų53.443%0.42826%0.255SS..Hα-helixtrans-57.6-47.2175.8179.666000111.6K163 K164 Y169 Y170 K171K163-D167 PolarHBondContact O-N 3.26Å; K164-D167 PolarHBondContact O-N 3.25Å; D167-Y169 VanDerWaalsContact C-N 3.33Å; D167-Y169 PolarHBondContact O-N 3.46Å; D167-Y170 PolarHBondContact O-N 3.37Å; D167-K171 WeakPolarHBondContact O-CB 3.5Å; D167-K171 WeakPolarHBondContact O-CG 3.39Å; D167-K171 PolarHBondContact O-N 3Å; D167-K171 WeakPolarHBondContact OD1-CE 3.2Å; D167-K171 IonicContact OD1-NZ 2.75Å; D167-K171 PolarHBondContact OD1-NZ 3.36Å; D167-K171 WeakPolarHBondContact OD2-CE 3.48Å; D167-K171 IonicContact OD2-NZ 3.06Å; D167-K171 PolarHBondContact OD2-NZ 2.98Å
168L93.9Very high93.5Very high38 Ų3855.8 Ų55.820%0.19928%0.276CS..Hα-helixtrans-61.6-39.7175.7179.462.8000112.3G80 L82 K164 L166 K171 A172G80-L168 VanDerWaalsContact O-CD2 3.24Å; G80-L168 WeakPolarHBondContact O-CD2 3.41Å; L82-L168 HydrophobicContact CD1-CD1 4.17Å; L82-L168 HydrophobicContact CD2-CD2 3.76Å; L82-L168 HydrophobicContact CD2-CG 4.37Å; L82-L168 HydrophobicContact CG-CD1 4.05Å; L82-L168 HydrophobicContact CG-CD2 3.75Å; L82-L168 HydrophobicContact CG-CG 4.27Å; K164-L168 VanDerWaalsContact O-CB 3.27Å; K164-L168 WeakPolarHBondContact O-CB 3.4Å; K164-L168 PolarHBondContact O-N 2.76Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 3.39Å; L168-K171 PolarHBondContact O-N 3.28Å; L168-A172 HydrophobicContact CD1-CB 3.96Å; L168-A172 VanDerWaalsContact O-CB 3.28Å; L168-A172 WeakPolarHBondContact O-CB 3.12Å; L168-A172 PolarHBondContact O-N 3.38Å
169Y95.1Very high94.1Very high9 Ų955.4 Ų55.44%0.03527%0.271CS..Iπ-helixtrans-58.7-52.2176.3164.4-101.9000111.6G31 G32 Y133 R165 L166 D167 K171 T173 E174G31-Y169 VanDerWaalsContact C-CE2 3.42Å; G32-Y169 VanDerWaalsContact CA-CD2 3.44Å; G32-Y169 VanDerWaalsContact CA-CE2 3.5Å; Y133-Y169 VanDerWaalsContact CE2-OH 3.27Å; Y133-Y169 WeakPolarHBondContact CE2-OH 3.32Å; Y133-Y169 PolarHBondContact OH-OH 3.17Å; Y133-Y169 VanDerWaalsContact OH-OH 3.1Å; R165-Y169 WeakPolarHBondContact O-CB 3.49Å; R165-Y169 PolarHBondContact O-N 2.91Å; L166-Y169 WeakPolarHBondContact O-CB 3.24Å; L166-Y169 PolarHBondContact O-N 3.49Å; L166-Y169 VanDerWaalsContact O-N 3.16Å; D167-Y169 VanDerWaalsContact C-N 3.33Å; D167-Y169 PolarHBondContact O-N 3.46Å; Y169-K171 PolarHBondContact O-N 3.31Å; Y169-T173 HydrophobicContact CD2-CG2 3.72Å; Y169-T173 HydrophobicContact CE2-CG2 3.85Å; Y169-T173 CarbonylContact O-C 3.54Å; Y169-T173 WeakPolarHBondContact O-CA 3.3Å; Y169-T173 VanDerWaalsContact O-CB 3.3Å; Y169-T173 WeakPolarHBondContact O-CB 3.31Å; Y169-T173 PolarHBondContact O-N 3.35Å; Y169-E174 PolarHBondContact O-N 2.93Å
170Y95.7Very high94.6Very high86 Ų8649.6 Ų49.634%0.33724%0.244SC..Iπ-helixtrans-66-38.6-179.6-68.3-65.1000112.1M141 L166 D167M141-Y170 WeakPolarHBondContact CE-OH 3.42Å; L166-Y170 WeakPolarHBondContact O-CD2 3.46Å; L166-Y170 PolarHBondContact O-N 3.3Å; L166-Y170 VanDerWaalsContact O-N 3.09Å; D167-Y170 PolarHBondContact O-N 3.37Å
171K95.7Very high94.9Very high142 Ų14248.8 Ų48.862%0.61724%0.24SC*.Iπ-helixtrans-71.3-40.4-179.5-74.4175.1177.7164.90113.9D167 L168 Y169D167-K171 WeakPolarHBondContact O-CB 3.5Å; D167-K171 WeakPolarHBondContact O-CG 3.39Å; D167-K171 PolarHBondContact O-N 3Å; D167-K171 WeakPolarHBondContact OD1-CE 3.2Å; D167-K171 IonicContact OD1-NZ 2.75Å; D167-K171 PolarHBondContact OD1-NZ 3.36Å; D167-K171 WeakPolarHBondContact OD2-CE 3.48Å; D167-K171 IonicContact OD2-NZ 3.06Å; D167-K171 PolarHBondContact OD2-NZ 2.98Å; L168-K171 PolarHBondContact O-N 3.28Å; Y169-K171 PolarHBondContact O-N 3.31Å
172A93Very high95.1Very high17 Ų1752.1 Ų52.114%0.1428%0.275CS..Iπ-helixtrans-115.2-38.9-165.800000113.3R113 E114 L168R113-A172 CarbonylContact O-C 3.1Å; R113-A172 VanDerWaalsContact O-O 3.05Å; E114-A172 HydrophobicContact CG-CB 3.97Å; L168-A172 HydrophobicContact CD1-CB 3.96Å; L168-A172 VanDerWaalsContact O-CB 3.28Å; L168-A172 WeakPolarHBondContact O-CB 3.12Å; L168-A172 PolarHBondContact O-N 3.38Å
173T92.5Very high95.2Very high10 Ų1057.2 Ų57.26%0.06129%0.294CS..Iπ-helixtrans-90.4-36.3-174.4-54.30000112.9V30 R113 Y169 P175 V176V30-T173 HydrophobicContact CG1-CG2 3.77Å; R113-T173 WeakPolarHBondContact CA-OG1 3.38Å; R113-T173 WeakPolarHBondContact O-CA 3.43Å; R113-T173 WeakPolarHBondContact O-CB 3.5Å; R113-T173 PolarHBondContact O-N 3.34Å; R113-T173 PolarHBondContact O-OG1 3.25Å; Y169-T173 HydrophobicContact CD2-CG2 3.72Å; Y169-T173 HydrophobicContact CE2-CG2 3.85Å; Y169-T173 CarbonylContact O-C 3.54Å; Y169-T173 WeakPolarHBondContact O-CA 3.3Å; Y169-T173 VanDerWaalsContact O-CB 3.3Å; Y169-T173 WeakPolarHBondContact O-CB 3.31Å; Y169-T173 PolarHBondContact O-N 3.35Å; T173-P175 VanDerWaalsContact C-N 3.35Å; T173-V176 WeakPolarHBondContact O-CB 3.47Å; T173-V176 WeakPolarHBondContact O-CG2 3.49Å; T173-V176 PolarHBondContact O-N 2.86Å
174E93.6Very high95.4Very high87 Ų8754.5 Ų54.541%0.40730%0.303SS..Hα-helixtrans-57.7-39.6176.4-172.7171.2-137.400113.4Y169 V176 I177Y169-E174 PolarHBondContact O-N 2.93Å; E174-V176 PolarHBondContact O-N 3.47Å; E174-V176 VanDerWaalsContact O-N 3.11Å; E174-I177 HydrophobicContact CG-CD1 4.48Å; E174-I177 WeakPolarHBondContact O-CB 3.42Å; E174-I177 PolarHBondContact O-N 3.2Å
175P97.3Very high95.6Very high58 Ų5852.3 Ų52.338%0.37730%0.295SS..Hα-helixtrans-57.2-25.2172.5-2836000115.3V115 T173 I177 A178 F179V115-P175 HydrophobicContact CG2-CB 4.3Å; T173-P175 VanDerWaalsContact C-N 3.35Å; P175-I177 VanDerWaalsContact C-N 3.26Å; P175-I177 PolarHBondContact O-N 3.32Å; P175-A178 PolarHBondContact O-N 3.47Å; P175-F179 WeakPolarHBondContact O-CB 3.38Å; P175-F179 PolarHBondContact O-N 3.44Å
176V97.8Very high95.8Very high0 Ų052.3 Ų52.30%030%0.299CS..Hα-helixtrans-61.5-39.3173.8176.30000110.6P112 E114 V115 L131 T173 E174 F179 Y180P112-V176 HydrophobicContact CG-CG1 3.75Å; E114-V176 VanDerWaalsContact C-CG2 3.41Å; V115-V176 HydrophobicContact CG2-CG2 4.38Å; L131-V176 HydrophobicContact CD1-CG1 4.2Å; T173-V176 WeakPolarHBondContact O-CB 3.47Å; T173-V176 WeakPolarHBondContact O-CG2 3.49Å; T173-V176 PolarHBondContact O-N 2.86Å; E174-V176 PolarHBondContact O-N 3.47Å; E174-V176 VanDerWaalsContact O-N 3.11Å; V176-F179 WeakPolarHBondContact O-CB 3.35Å; V176-F179 PolarHBondContact O-N 3.09Å; V176-Y180 HydrophobicContact CG1-CD2 3.74Å; V176-Y180 HydrophobicContact CG1-CE2 3.87Å; V176-Y180 VanDerWaalsContact O-CD2 3.31Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.16Å; V176-Y180 VanDerWaalsContact O-N 3.1Å
177I96.7Very high96Very high8 Ų855.1 Ų55.14%0.04131%0.31CS..Hα-helixtrans-63.7-52.2-178.1-56.6164.7000108.6V30 Y133 E174 P175 F179 Y180 E181 V186V30-I177 HydrophobicContact CG1-CG1 4.22Å; Y133-I177 HydrophobicContact CD1-CD1 4Å; Y133-I177 HydrophobicContact CD1-CG2 3.94Å; Y133-I177 HydrophobicContact CD2-CD1 3.62Å; Y133-I177 HydrophobicContact CD2-CG1 4.29Å; Y133-I177 HydrophobicContact CE1-CD1 3.78Å; Y133-I177 HydrophobicContact CE1-CG2 4.38Å; Y133-I177 HydrophobicContact CE2-CD1 3.41Å; Y133-I177 VanDerWaalsContact CE2-CD1 3.41Å; Y133-I177 HydrophobicContact CG-CD1 3.93Å; Y133-I177 HydrophobicContact CG-CG1 4.34Å; Y133-I177 HydrophobicContact CG-CG2 4.29Å; Y133-I177 VanDerWaalsContact CZ-CD1 3.47Å; E174-I177 HydrophobicContact CG-CD1 4.48Å; E174-I177 WeakPolarHBondContact O-CB 3.42Å; E174-I177 PolarHBondContact O-N 3.2Å; P175-I177 VanDerWaalsContact C-N 3.26Å; P175-I177 PolarHBondContact O-N 3.32Å; I177-F179 VanDerWaalsContact C-N 3.28Å; I177-F179 PolarHBondContact O-N 2.93Å; I177-Y180 PolarHBondContact O-N 2.95Å; I177-Y180 VanDerWaalsContact O-N 3.13Å; I177-E181 HydrophobicContact CG2-CG 4.15Å; I177-E181 WeakPolarHBondContact O-CB 3.45Å; I177-E181 WeakPolarHBondContact O-CG 3.15Å; I177-E181 PolarHBondContact O-N 2.9Å; I177-V186 HydrophobicContact CG2-CG1 4.26Å
178A95.1Very high96.1Very high59 Ų5956.5 Ų56.549%0.48831%0.312SS..Hα-helixtrans-57-41177.600000112.5P175 Y180 E181 G182P175-A178 PolarHBondContact O-N 3.47Å; A178-Y180 PolarHBondContact O-N 2.89Å; A178-E181 PolarHBondContact O-N 2.88Å; A178-G182 PolarHBondContact O-N 3.04Å
179F97.9Very high96.3Very high57 Ų5754.8 Ų54.825%0.2530%0.303CS..Hα-helixtrans-60-43.6177.1176.9-98.4000113V115 E119 P175 V176 I177 R183V115-F179 HydrophobicContact CG1-CB 4.38Å; V115-F179 HydrophobicContact CG1-CD1 4.16Å; V115-F179 HydrophobicContact CG1-CD2 3.6Å; V115-F179 HydrophobicContact CG1-CE1 4.23Å; V115-F179 HydrophobicContact CG1-CE2 3.68Å; V115-F179 HydrophobicContact CG1-CG 3.81Å; V115-F179 HydrophobicContact CG1-CZ 3.96Å; V115-F179 HydrophobicContact CG2-CB 4.11Å; V115-F179 HydrophobicContact CG2-CG 4.43Å; E119-F179 HydrophobicContact CG-CE1 4.48Å; E119-F179 HydrophobicContact CG-CZ 3.9Å; P175-F179 WeakPolarHBondContact O-CB 3.38Å; P175-F179 PolarHBondContact O-N 3.44Å; V176-F179 WeakPolarHBondContact O-CB 3.35Å; V176-F179 PolarHBondContact O-N 3.09Å; I177-F179 VanDerWaalsContact C-N 3.28Å; I177-F179 PolarHBondContact O-N 2.93Å; F179-R183 VanDerWaalsContact CE1-CZ 3.48Å
180Y98.2Very high96.5Very high0 Ų057.6 Ų57.60%032%0.319CS..Hα-helixtrans-83.6-22.8178.5-76.8-71.9000113.4F28 P112 G118 E122 P128 L131 V176 I177 A178 G182 R183 G184 I185F28-Y180 HydrophobicContact CD2-CE2 4.26Å; F28-Y180 HydrophobicContact CE2-CE2 4.27Å; F28-Y180 AromaticContact CE2-CZ 3.89Å; P112-Y180 HydrophobicContact CG-CE2 4.17Å; G118-Y180 WeakPolarHBondContact CA-OH 3.28Å; E122-Y180 WeakPolarHBondContact OE1-CE1 3.36Å; E122-Y180 VanDerWaalsContact OE1-CZ 3.3Å; E122-Y180 PolarHBondContact OE1-OH 3.48Å; P128-Y180 HydrophobicContact CG-CE1 3.94Å; L131-Y180 HydrophobicContact CD1-CD2 3.36Å; L131-Y180 HydrophobicContact CD1-CE2 4.18Å; L131-Y180 HydrophobicContact CD1-CG 3.67Å; V176-Y180 HydrophobicContact CG1-CD2 3.74Å; V176-Y180 HydrophobicContact CG1-CE2 3.87Å; V176-Y180 VanDerWaalsContact O-CD2 3.31Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.16Å; V176-Y180 VanDerWaalsContact O-N 3.1Å; I177-Y180 PolarHBondContact O-N 2.95Å; I177-Y180 VanDerWaalsContact O-N 3.13Å; A178-Y180 PolarHBondContact O-N 2.89Å; Y180-G182 VanDerWaalsContact C-N 3.3Å; Y180-R183 WeakPolarHBondContact O-CA 3.12Å; Y180-R183 WeakPolarHBondContact O-CB 3.4Å; Y180-R183 PolarHBondContact O-N 3.38Å; Y180-G184 PolarHBondContact O-N 2.83Å; Y180-I185 HydrophobicContact CD1-CD1 3.55Å; Y180-I185 HydrophobicContact CD1-CG1 4.01Å; Y180-I185 HydrophobicContact CE1-CD1 4.14Å; Y180-I185 HydrophobicContact CG-CD1 4.38Å
181E96.8Very high96.5Very high103 Ų10353.8 Ų53.848%0.48131%0.305SS..Hα-helixtrans-60.5-43.2170.6-81.4179.7164.400110.1I177 A178 R183 G184 V186I177-E181 HydrophobicContact CG2-CG 4.15Å; I177-E181 WeakPolarHBondContact O-CB 3.45Å; I177-E181 WeakPolarHBondContact O-CG 3.15Å; I177-E181 PolarHBondContact O-N 2.9Å; A178-E181 PolarHBondContact O-N 2.88Å; E181-R183 PolarHBondContact O-N 3.43Å; E181-G184 PolarHBondContact O-N 3.18Å; E181-V186 HydrophobicContact CB-CG2 4.35Å; E181-V186 HydrophobicContact CG-CB 3.84Å; E181-V186 HydrophobicContact CG-CG1 3.99Å; E181-V186 HydrophobicContact CG-CG2 3.8Å; E181-V186 VanDerWaalsContact N-CG2 3.3Å
182G94.9Very high96.6Very high75 Ų7550.1 Ų50.177%0.77329%0.29SS*.THydrogen-bonded Turntrans-59.7-14.2172.900000114.4A178 Y180A178-G182 PolarHBondContact O-N 3.04Å; Y180-G182 VanDerWaalsContact C-N 3.3Å
183R94.6Very high96.8Very high110 Ų11052.7 Ų52.742%0.41530%0.301SS..THydrogen-bonded Turntrans-101-3.7175.7-57.9-178.4179.7-160.71.2113.6E122 F179 Y180 E181 I185E122-R183 IonicContact OE1-CZ 3.76Å; E122-R183 IonicContact OE1-NH1 3.37Å; E122-R183 PolarHBondContact OE1-NH1 3.47Å; E122-R183 IonicContact OE1-NH2 3.73Å; E122-R183 IonicContact OE2-CZ 2.99Å; E122-R183 IonicContact OE2-NH1 2.97Å; E122-R183 PolarHBondContact OE2-NH1 2.9Å; E122-R183 IonicContact OE2-NH2 2.63Å; F179-R183 VanDerWaalsContact CE1-CZ 3.48Å; Y180-R183 WeakPolarHBondContact O-CA 3.12Å; Y180-R183 WeakPolarHBondContact O-CB 3.4Å; Y180-R183 PolarHBondContact O-N 3.38Å; E181-R183 PolarHBondContact O-N 3.43Å; R183-I185 VanDerWaalsContact C-N 3.3Å; R183-I185 PolarHBondContact O-N 3Å
184G97.2Very high97.1Very high71 Ų7155 Ų5573%0.73232%0.321SS*.THydrogen-bonded Turntrans71.815.3176.300000115.5Y180 E181Y180-G184 PolarHBondContact O-N 2.83Å; E181-G184 PolarHBondContact O-N 3.18Å
185I97.9Very high97.3Very high40 Ų4054.1 Ų54.121%0.20532%0.322CS..  trans-103.24.3-178.770.1166.4000113.7P128 L130 L131 Y180 R183P128-I185 HydrophobicContact CB-CD1 4.31Å; P128-I185 HydrophobicContact CG-CD1 3.76Å; L130-I185 WeakPolarHBondContact CD1-O 3.43Å; L131-I185 HydrophobicContact CB-CG1 4.48Å; L131-I185 PolarHBondContact N-O 3.46Å; Y180-I185 HydrophobicContact CD1-CD1 3.55Å; Y180-I185 HydrophobicContact CD1-CG1 4.01Å; Y180-I185 HydrophobicContact CE1-CD1 4.14Å; Y180-I185 HydrophobicContact CG-CD1 4.38Å; R183-I185 VanDerWaalsContact C-N 3.3Å; R183-I185 PolarHBondContact O-N 3Å
186V98.5Very high97.3Very high33 Ų3356.4 Ų56.420%0.233%0.33CS..EExtended strand (participates in β ladder)trans-86125-176.21760000110.3L131 I177 E181L131-V186 HydrophobicContact CB-CG2 4.16Å; L131-V186 HydrophobicContact CD2-CG1 4.28Å; L131-V186 HydrophobicContact CD2-CG2 4.18Å; L131-V186 CarbonylContact O-C 3.55Å; L131-V186 WeakPolarHBondContact O-CA 3.47Å; I177-V186 HydrophobicContact CG2-CG1 4.26Å; E181-V186 HydrophobicContact CB-CG2 4.35Å; E181-V186 HydrophobicContact CG-CB 3.84Å; E181-V186 HydrophobicContact CG-CG1 3.99Å; E181-V186 HydrophobicContact CG-CG2 3.8Å; E181-V186 VanDerWaalsContact N-CG2 3.3Å
187K98.4Very high97.3Very high75 Ų7560.7 Ų60.733%0.32635%0.354SS..EExtended strand (participates in β ladder)trans-109.1108.8163.4179.171.1-175.7166.40109.7L130 L131 L132 Y133 V189 A205L130-K187 HydrophobicContact CD1-CB 3.91Å; L131-K187 PolarHBondContact O-N 3.3Å; L132-K187 HydrophobicContact CD1-CB 4.44Å; L132-K187 HydrophobicContact CD1-CG 4.29Å; Y133-K187 PolarHBondContact N-O 3.31Å; K187-V189 HydrophobicContact CG-CG1 4.3Å; K187-A205 HydrophobicContact CB-CB 4.09Å; K187-A205 HydrophobicContact CD-CB 3.88Å; K187-A205 HydrophobicContact CG-CB 3.52Å
188K98.2Very high97.4Very high109 Ų10960.4 Ų60.447%0.47435%0.352SS..EExtended strand (participates in β ladder)trans-79136.6168.8-175.3173.1178.9167.70111.2Y133 D135Y133-K188 HydrophobicContact CD1-CB 4.13Å; Y133-K188 HydrophobicContact CD1-CD 4Å; Y133-K188 HydrophobicContact CD1-CG 3.74Å; Y133-K188 HydrophobicContact CE1-CD 4.1Å; Y133-K188 HydrophobicContact CE1-CG 4.22Å; Y133-K188 CarbonylContact O-C 3.53Å; Y133-K188 WeakPolarHBondContact O-CA 3.17Å; D135-K188 HydrophobicContact CB-CG 4.32Å; D135-K188 WeakPolarHBondContact OD2-CE 3.31Å; D135-K188 IonicContact OD2-NZ 3.98Å; D135-K188 PolarHBondContact OD2-NZ 3.32Å
189V98.1Very high97.6Very high1 Ų159 Ų591%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-129.9139.4170.2-60.70000109.8L132 Y133 V134 D135 K187 S191 V198 Q201 V202L132-V189 HydrophobicContact CD1-CG1 3.91Å; L132-V189 HydrophobicContact CD1-CG2 4.16Å; Y133-V189 WeakPolarHBondContact O-CG2 3.4Å; Y133-V189 PolarHBondContact O-N 3.47Å; V134-V189 HydrophobicContact CB-CG2 4.33Å; V134-V189 HydrophobicContact CG1-CG2 4.4Å; V134-V189 HydrophobicContact CG2-CG2 4.1Å; D135-V189 PolarHBondContact N-O 2.85Å; K187-V189 HydrophobicContact CG-CG1 4.3Å; V189-S191 PolarHBondContact O-N 3.26Å; V189-V198 HydrophobicContact CB-CG1 4.21Å; V189-V198 HydrophobicContact CG2-CG1 3.92Å; V189-Q201 HydrophobicContact CG1-CB 3.87Å; V189-V202 HydrophobicContact CG1-CG2 4.09Å; V189-V202 HydrophobicContact CG2-CG2 4.31Å
190D97.6Very high97.6Very high69 Ų6959.1 Ų59.137%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-85.2108.4179.4178.87.1000110.6E192 L193 V198D190-E192 VanDerWaalsContact C-N 3.25Å; D190-E192 PolarHBondContact O-N 3.05Å; D190-E192 VanDerWaalsContact OD1-CB 3.26Å; D190-E192 WeakPolarHBondContact OD1-CB 3.19Å; D190-E192 WeakPolarHBondContact OD1-CG 3.24Å; D190-E192 PolarHBondContact OD1-N 2.98Å; D190-L193 HydrophobicContact CB-CD1 4.27Å; D190-L193 HydrophobicContact CB-CG 4.34Å; D190-V198 VanDerWaalsContact O-CG2 3.26Å; D190-V198 WeakPolarHBondContact O-CG2 3.38Å
191S97.4Very high97.6Very high5 Ų562 Ų624%0.03536%0.36CS..THydrogen-bonded Turntrans-83.97.2-179.1-163.10000114.1S35 D135 R144 V189 L193S35-S191 WeakPolarHBondContact O-CB 3.28Å; S35-S191 PolarHBondContact O-OG 3.25Å; D135-S191 WeakPolarHBondContact O-CA 3.28Å; D135-S191 WeakPolarHBondContact O-CB 3.47Å; D135-S191 PolarHBondContact O-N 3.45Å; R144-S191 PolarHBondContact NH1-O 3.28Å; R144-S191 PolarHBondContact NH1-OG 3.22Å; R144-S191 VanDerWaalsContact NH1-OG 3.12Å; R144-S191 PolarHBondContact NH2-O 2.88Å; V189-S191 PolarHBondContact O-N 3.26Å; S191-L193 VanDerWaalsContact C-N 3.29Å
192E97.6Very high97.7Very high65 Ų6557.1 Ų57.130%0.30434%0.337SS..THydrogen-bonded Turntrans-78.6-17.4167.8-56.7-57.3142.600112.2A136 K137 T140 D190A136-E192 WeakPolarHBondContact CA-OE1 3.5Å; K137-E192 HydrophobicContact CD-CG 4.39Å; K137-E192 HydrophobicContact CG-CG 4.29Å; K137-E192 PolarHBondContact N-OE1 3.49Å; T140-E192 VanDerWaalsContact CB-OE1 3.3Å; T140-E192 WeakPolarHBondContact CB-OE1 3.48Å; T140-E192 PolarHBondContact OG1-OE1 2.81Å; T140-E192 PolarHBondContact OG1-OE2 3.36Å; D190-E192 VanDerWaalsContact C-N 3.25Å; D190-E192 PolarHBondContact O-N 3.05Å; D190-E192 VanDerWaalsContact OD1-CB 3.26Å; D190-E192 WeakPolarHBondContact OD1-CB 3.19Å; D190-E192 WeakPolarHBondContact OD1-CG 3.24Å; D190-E192 PolarHBondContact OD1-N 2.98Å
193L97.4Very high97.8Very high71 Ų7154 Ų5437%0.37230%0.304SS..SBendtrans-74.8169.6176.9-57.2175.8000112.6D190 S191 D197 V198 Q201D190-L193 HydrophobicContact CB-CD1 4.27Å; D190-L193 HydrophobicContact CB-CG 4.34Å; S191-L193 VanDerWaalsContact C-N 3.29Å; L193-D197 HydrophobicContact CB-CB 4.15Å; L193-V198 HydrophobicContact CB-CG2 3.92Å; L193-Q201 VanDerWaalsContact CD1-NE2 3.26Å
194A97.9Very high98Very high60 Ų6056.5 Ų56.550%0.49632%0.318SS..  trans-62.5146.4172.800000110.7D196 D197 V198A194-D196 PolarHBondContact O-N 2.92Å; A194-D197 WeakPolarHBondContact CB-OD2 3.35Å; A194-D197 WeakPolarHBondContact O-CB 3.43Å; A194-D197 PolarHBondContact O-N 3.24Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 3.22Å
195V97.6Very high98Very high68 Ų6853.8 Ų53.841%0.41229%0.288SS..Hα-helixtrans-52.8-39.1-172.4177.70000112.7T39 Q40 K43 F199T39-V195 HydrophobicContact CG2-CG1 3.74Å; Q40-V195 PolarHBondContact NE2-O 3.33Å; Q40-V195 VanDerWaalsContact NE2-O 3.16Å; K43-V195 HydrophobicContact CD-CG1 3.95Å; K43-V195 VanDerWaalsContact CE-CG1 3.49Å; V195-F199 WeakPolarHBondContact O-CB 3.36Å; V195-F199 PolarHBondContact O-N 3.4Å
196D97.9Very high97.9Very high105 Ų10552.3 Ų52.356%0.56128%0.281SS*.Hα-helixtrans-73.4-33.7-179.7-68.3-27.3000112.9K43 A194 F199 A200K43-D196 IonicContact NZ-OD1 2.93Å; K43-D196 PolarHBondContact NZ-OD1 3.26Å; A194-D196 PolarHBondContact O-N 2.92Å; D196-F199 PolarHBondContact O-N 3.26Å; D196-A200 WeakPolarHBondContact O-CB 3.33Å; D196-A200 PolarHBondContact O-N 3.47Å
197D98.3Very high97.9Very high91 Ų9155.6 Ų55.649%0.48730%0.297SS..Hα-helixtrans-67.6-41.8173.9-63-36.6000110.9L193 A194 F199 A200 Q201L193-D197 HydrophobicContact CB-CB 4.15Å; A194-D197 WeakPolarHBondContact CB-OD2 3.35Å; A194-D197 WeakPolarHBondContact O-CB 3.43Å; A194-D197 PolarHBondContact O-N 3.24Å; D197-F199 VanDerWaalsContact C-N 3.32Å; D197-A200 PolarHBondContact O-N 3.39Å; D197-Q201 PolarHBondContact O-N 3.32Å
198V98.3Very high97.7Very high2 Ų256 Ų561%0.01232%0.315CS..Hα-helixtrans-59.6-47.1171.5-176.20000109.7Q40 V189 D190 L193 A194 A200 Q201 V202Q40-V198 HydrophobicContact CG-CG1 4.04Å; V189-V198 HydrophobicContact CB-CG1 4.21Å; V189-V198 HydrophobicContact CG2-CG1 3.92Å; D190-V198 VanDerWaalsContact O-CG2 3.26Å; D190-V198 WeakPolarHBondContact O-CG2 3.38Å; L193-V198 HydrophobicContact CB-CG2 3.92Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 3.22Å; V198-A200 VanDerWaalsContact C-N 3.3Å; V198-A200 PolarHBondContact O-N 2.97Å; V198-Q201 WeakPolarHBondContact O-CB 3.45Å; V198-Q201 PolarHBondContact O-N 2.98Å; V198-Q201 VanDerWaalsContact O-N 3.1Å; V198-V202 HydrophobicContact CG1-CG2 4.41Å; V198-V202 WeakPolarHBondContact O-CG2 3.44Å; V198-V202 PolarHBondContact O-N 2.68Å
199F98.6Very high97.3Very high29 Ų2955.5 Ų55.513%0.12732%0.316CS..Hα-helixtrans-66.9-30.1-177.8-174.7-115.7000113.1Q40 K43 I44 K47 Y48 V195 D196 D197 Q201 V202 S203Q40-F199 VanDerWaalsContact OE1-CA 3.27Å; K43-F199 VanDerWaalsContact C-CE2 3.49Å; K43-F199 HydrophobicContact CB-CD1 4.23Å; K43-F199 HydrophobicContact CB-CD2 3.44Å; K43-F199 VanDerWaalsContact CB-CD2 3.44Å; K43-F199 HydrophobicContact CB-CE1 4.15Å; K43-F199 HydrophobicContact CB-CE2 3.36Å; K43-F199 HydrophobicContact CB-CG 3.9Å; K43-F199 HydrophobicContact CB-CZ 3.73Å; K43-F199 HydrophobicContact CD-CB 3.94Å; K43-F199 HydrophobicContact CD-CD1 4.2Å; K43-F199 HydrophobicContact CD-CD2 4.14Å; K43-F199 HydrophobicContact CD-CG 3.82Å; K43-F199 HydrophobicContact CG-CD2 4.41Å; K43-F199 HydrophobicContact CG-CG 4.47Å; K43-F199 WeakPolarHBondContact O-CZ 3.41Å; I44-F199 HydrophobicContact CG1-CE2 3.97Å; K47-F199 HydrophobicContact CB-CZ 3.96Å; K47-F199 HydrophobicContact CD-CE1 3.96Å; K47-F199 HydrophobicContact CD-CZ 3.82Å; Y48-F199 HydrophobicContact CE2-CZ 4.44Å; V195-F199 WeakPolarHBondContact O-CB 3.36Å; V195-F199 PolarHBondContact O-N 3.4Å; D196-F199 PolarHBondContact O-N 3.26Å; D197-F199 VanDerWaalsContact C-N 3.32Å; F199-Q201 VanDerWaalsContact C-N 3.35Å; F199-V202 HydrophobicContact CD2-CB 4.3Å; F199-V202 HydrophobicContact CD2-CG1 4.33Å; F199-V202 HydrophobicContact CE2-CG1 4.47Å; F199-V202 PolarHBondContact O-N 3.15Å; F199-S203 VanDerWaalsContact O-CB 3.28Å; F199-S203 WeakPolarHBondContact O-CB 3.4Å; F199-S203 PolarHBondContact O-N 3.35Å; F199-S203 PolarHBondContact O-OG 3.2Å
200A98.4Very high97.3Very high59 Ų5958.2 Ų58.249%0.48833%0.332SS..Hα-helixtrans-62.8-42171.700000111.4D196 D197 V198 S203 K204D196-A200 WeakPolarHBondContact O-CB 3.33Å; D196-A200 PolarHBondContact O-N 3.47Å; D197-A200 PolarHBondContact O-N 3.39Å; V198-A200 VanDerWaalsContact C-N 3.3Å; V198-A200 PolarHBondContact O-N 2.97Å; A200-S203 PolarHBondContact O-N 3.45Å; A200-K204 PolarHBondContact O-N 3.22Å
201Q97.9Very high97.3Very high62 Ų6257.6 Ų57.629%0.2933%0.33SS..Hα-helixtrans-66.2-41.8175-62.1-178.836.500112.4V189 L193 D197 V198 F199 K204 A205V189-Q201 HydrophobicContact CG1-CB 3.87Å; L193-Q201 VanDerWaalsContact CD1-NE2 3.26Å; D197-Q201 PolarHBondContact O-N 3.32Å; V198-Q201 WeakPolarHBondContact O-CB 3.45Å; V198-Q201 PolarHBondContact O-N 2.98Å; V198-Q201 VanDerWaalsContact O-N 3.1Å; F199-Q201 VanDerWaalsContact C-N 3.35Å; Q201-K204 PolarHBondContact O-N 2.88Å; Q201-A205 PolarHBondContact O-N 3.02Å
202V98.2Very high97.3Very high0 Ų060.6 Ų60.60%035%0.346CS..Hα-helixtrans-59.6-49.7174.9171.30000110.4I44 L132 V189 V198 F199 K204 A205 I206I44-V202 HydrophobicContact CD1-CG1 3.64Å; I44-V202 HydrophobicContact CG1-CG1 3.67Å; L132-V202 HydrophobicContact CD1-CG2 4Å; L132-V202 HydrophobicContact CD2-CG1 3.93Å; L132-V202 HydrophobicContact CD2-CG2 3.96Å; V189-V202 HydrophobicContact CG1-CG2 4.09Å; V189-V202 HydrophobicContact CG2-CG2 4.31Å; V198-V202 HydrophobicContact CG1-CG2 4.41Å; V198-V202 WeakPolarHBondContact O-CG2 3.44Å; V198-V202 PolarHBondContact O-N 2.68Å; F199-V202 HydrophobicContact CD2-CB 4.3Å; F199-V202 HydrophobicContact CD2-CG1 4.33Å; F199-V202 HydrophobicContact CE2-CG1 4.47Å; F199-V202 PolarHBondContact O-N 3.15Å; V202-K204 PolarHBondContact O-N 2.9Å; V202-A205 WeakPolarHBondContact O-CB 3.37Å; V202-A205 PolarHBondContact O-N 3.21Å; V202-A205 VanDerWaalsContact O-N 3.1Å; V202-I206 HydrophobicContact CG1-CD1 3.89Å; V202-I206 PolarHBondContact O-N 3.4Å
203S98.3Very high97.3Very high10 Ų1060.3 Ų60.37%0.0735%0.349CS..Hα-helixtrans-56.1-49.7179.1-72.50000111.4K47 Y48 F199 A200 A205 I206 D207K47-S203 VanDerWaalsContact NZ-CB 3.31Å; K47-S203 PolarHBondContact NZ-OG 3.38Å; K47-S203 VanDerWaalsContact NZ-OG 3.09Å; Y48-S203 VanDerWaalsContact OH-CA 3.27Å; Y48-S203 WeakPolarHBondContact OH-CA 3.27Å; Y48-S203 WeakPolarHBondContact OH-CB 3.18Å; Y48-S203 PolarHBondContact OH-O 3.46Å; F199-S203 VanDerWaalsContact O-CB 3.28Å; F199-S203 WeakPolarHBondContact O-CB 3.4Å; F199-S203 PolarHBondContact O-N 3.35Å; F199-S203 PolarHBondContact O-OG 3.2Å; A200-S203 PolarHBondContact O-N 3.45Å; S203-A205 PolarHBondContact O-N 2.9Å; S203-I206 PolarHBondContact O-N 2.91Å; S203-I206 VanDerWaalsContact O-N 3.13Å; S203-D207 WeakPolarHBondContact O-CB 3.03Å; S203-D207 PolarHBondContact O-N 2.98Å
204K97.9Very high97.3Very high162 Ų16259.6 Ų59.670%0.70435%0.347SS*.Hα-helixtrans-56.6-36.2178.2-176.2178.2-179.8177.80112.7A200 Q201 V202A200-K204 PolarHBondContact O-N 3.22Å; Q201-K204 PolarHBondContact O-N 2.88Å; V202-K204 PolarHBondContact O-N 2.9Å
205A97.1Very high97.2Very high13 Ų1359.6 Ų59.611%0.10734%0.337CS..Hα-helixtrans-74.2-39.217900000112.7L130 K187 Q201 V202 S203 A208L130-A205 HydrophobicContact CD2-CB 4.46Å; K187-A205 HydrophobicContact CB-CB 4.09Å; K187-A205 HydrophobicContact CD-CB 3.88Å; K187-A205 HydrophobicContact CG-CB 3.52Å; Q201-A205 PolarHBondContact O-N 3.02Å; V202-A205 WeakPolarHBondContact O-CB 3.37Å; V202-A205 PolarHBondContact O-N 3.21Å; V202-A205 VanDerWaalsContact O-N 3.1Å; S203-A205 PolarHBondContact O-N 2.9Å; A205-A208 PolarHBondContact O-N 2.9Å
206I97.4Very high97.2Very high10 Ų1059 Ų595%0.05133%0.332CS..Hα-helixtrans-70.4-38.7176.9-65.4177.3000111.2I27 I44 Y48 L130 V202 S203 A208 L209I27-I206 HydrophobicContact CD1-CD1 4.19Å; I27-I206 HydrophobicContact CD1-CG1 4.03Å; I44-I206 HydrophobicContact CB-CD1 4.36Å; I44-I206 HydrophobicContact CD1-CD1 3.86Å; I44-I206 HydrophobicContact CG1-CD1 3.75Å; I44-I206 HydrophobicContact CG2-CD1 3.63Å; Y48-I206 HydrophobicContact CD1-CG2 4.02Å; Y48-I206 HydrophobicContact CD2-CD1 4.38Å; Y48-I206 HydrophobicContact CD2-CG2 4.31Å; Y48-I206 HydrophobicContact CE1-CG2 3.86Å; Y48-I206 HydrophobicContact CE2-CB 4.38Å; Y48-I206 HydrophobicContact CE2-CD1 4.21Å; Y48-I206 HydrophobicContact CE2-CG2 4.16Å; Y48-I206 HydrophobicContact CG-CG2 4.23Å; L130-I206 HydrophobicContact CD2-CG1 4.41Å; V202-I206 HydrophobicContact CG1-CD1 3.89Å; V202-I206 PolarHBondContact O-N 3.4Å; S203-I206 PolarHBondContact O-N 2.91Å; S203-I206 VanDerWaalsContact O-N 3.13Å; I206-A208 PolarHBondContact O-N 2.71Å; I206-A208 VanDerWaalsContact O-N 3.16Å; I206-L209 WeakPolarHBondContact O-CB 3.44Å; I206-L209 PolarHBondContact O-N 2.66Å; I206-L209 VanDerWaalsContact O-N 3.16Å
207D97.6Very high97.1Very high102 Ų10255.5 Ų55.555%0.54531%0.314SS..THydrogen-bonded Turntrans-64.8-16.3179-65.8-19.5000112.6K47 Y48 S203K47-D207 IonicContact NZ-OD2 2.76Å; Y48-D207 WeakPolarHBondContact CE1-OD1 3.41Å; Y48-D207 VanDerWaalsContact CZ-OD1 3.26Å; Y48-D207 VanDerWaalsContact OH-CG 3.28Å; Y48-D207 PolarHBondContact OH-OD1 3.35Å; Y48-D207 PolarHBondContact OH-OD2 3.43Å; S203-D207 WeakPolarHBondContact O-CB 3.03Å; S203-D207 PolarHBondContact O-N 2.98Å
208A95.1Very high97Very high84 Ų8452.5 Ų52.569%0.69430%0.3SS*.THydrogen-bonded Turntrans-92.50.9178.300000114.4A205 I206A205-A208 PolarHBondContact O-N 2.9Å; I206-A208 PolarHBondContact O-N 2.71Å; I206-A208 VanDerWaalsContact O-N 3.16Å
209L89.8Confident96.9Very high97 Ų9757.1 Ų57.151%0.50833%0.326SS..  trans-90.10-176.7-61.9177.1000115I27 L130 I206I27-L209 HydrophobicContact CD1-CD1 3.92Å; I27-L209 HydrophobicContact CG1-CD1 4.41Å; L130-L209 HydrophobicContact CB-CD1 4.07Å; L130-L209 HydrophobicContact CB-CD2 4.14Å; L130-L209 HydrophobicContact CD1-CD2 4.43Å; L130-L209 HydrophobicContact CD2-CD1 4.19Å; I206-L209 WeakPolarHBondContact O-CB 3.44Å; I206-L209 PolarHBondContact O-N 2.66Å; I206-L209 VanDerWaalsContact O-N 3.16Å

Retrieved 209 of 209 residues in 95.5 ms (Link to these results)

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