A0A096NQV3_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (P11233), UniProt , Accession A0A096NQV3, Species PAPAN (Papio anubis, Olive baboon), Gene RALA, Length 206 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
1M40.9Very low49.9Very low245 Ų245149.5 Ų149.5100%1.20786%0.855SS**  0103.90-64.5-174.6-173.900107.8A3M1-A3 PolarHBondContact O-N 3.4Å
2A41.4Very low53.1Low106 Ų106140.6 Ų140.688%0.87680%0.802SS**  trans-79.4113.8177.200000108.4N4A2-N4 PolarHBondContact O-N 3.25Å
3A43.6Very low56.3Low99 Ų99133.1 Ų133.182%0.81877%0.768SS**  trans-62.9116.917700000109.5M1 K5M1-A3 PolarHBondContact O-N 3.4Å; A3-K5 PolarHBondContact O-N 3.17Å
4N41.9Very low59.2Low155 Ų155127 Ų12783%0.82973%0.731SS**  trans-65.3100.8176.4-160.115.8000108.1A2A2-N4 PolarHBondContact O-N 3.25Å
5K42.1Very low61.8Low191 Ų191118.8 Ų118.883%0.8368%0.684SS**  trans-59129.4173.5-102.7-177.6177.2179.50108.2A3 K7A3-K5 PolarHBondContact O-N 3.17Å; K5-K7 PolarHBondContact O-N 3.21Å
6P44.1Very low64.1Low121 Ų121115.9 Ų115.979%0.78666%0.661SS**  trans-58.9129.5-178.7-4.19.1000110.1G8P6-G8 PolarHBondContact O-N 3.32Å; P6-G8 VanDerWaalsContact O-N 3.16Å
7K48.1Very low66.2Low205 Ų205109.1 Ų109.189%0.89162%0.622SS**SBendtrans-58.2115.3174.8-70.3-179.6174.5177.50109.1K5K5-K7 PolarHBondContact O-N 3.21Å
8G50.5Low67.9Low67 Ų67103.3 Ų103.369%0.69159%0.588SS**  trans59.888.7165.800000114.2P6 N10P6-G8 PolarHBondContact O-N 3.32Å; P6-G8 VanDerWaalsContact O-N 3.16Å; G8-N10 VanDerWaalsContact C-N 3.26Å; G8-N10 PolarHBondContact O-N 3.2Å
9Q52.7Low69.4Low193 Ų19397.8 Ų97.890%0.90256%0.557SS**  trans-54.9105.2148.1-95.4173.3-25.100105.9S11Q9-S11 PolarHBondContact O-N 3.07Å
10N61.2Low70.7Confident158 Ų15893 Ų9385%0.84553%0.53SS*.  trans-60.7105.6177.6-14922.1000105.3G8 L12G8-N10 VanDerWaalsContact C-N 3.26Å; G8-N10 PolarHBondContact O-N 3.2Å; N10-L12 PolarHBondContact O-N 3.47Å; N10-L12 VanDerWaalsContact O-N 3.14Å
11S82.5Confident71.9Confident105 Ų10588.6 Ų88.673%0.73451%0.505SS*.PPolyproline II helixtrans-65.1119.8-175.360.30000107.6Q9Q9-S11 PolarHBondContact O-N 3.07Å
12L88.6Confident74.4Confident42 Ų4278.2 Ų78.222%0.2246%0.456CS..PPolyproline II helixtrans-52.7142.5175.7-59175.6000109.7N10 L14 K54 E61 Q63N10-L12 PolarHBondContact O-N 3.47Å; N10-L12 VanDerWaalsContact O-N 3.14Å; L12-L14 PolarHBondContact O-N 3.03Å; L12-K54 HydrophobicContact CD1-CD 3.92Å; L12-K54 HydrophobicContact CD1-CG 4.04Å; L12-E61 HydrophobicContact CD1-CG 3.95Å; L12-E61 HydrophobicContact CD2-CB 4.18Å; L12-E61 HydrophobicContact CD2-CG 4.21Å; L12-Q63 HydrophobicContact CB-CG 4.18Å; L12-Q63 HydrophobicContact CD1-CG 4.05Å
13A94.2Very high76.7Confident43 Ų4374.3 Ų74.336%0.35543%0.426SS..PPolyproline II helixtrans-59.1123.3175.700000109.5V62 Q63A13-V62 HydrophobicContact CB-CG1 4.22Å; A13-Q63 PolarHBondContact O-N 3.19Å
14L97.1Very high79.1Confident48 Ų4870.7 Ų70.725%0.25140%0.399SS..EExtended strand (participates in β ladder)trans-97.4132.2178.8175.764.8000110.1L12 K16 Q63 D65 K179L12-L14 PolarHBondContact O-N 3.03Å; L14-K16 HydrophobicContact CD2-CG 4.35Å; L14-K16 HydrophobicContact CG-CG 4.42Å; L14-Q63 CarbonylContact C-O 3.51Å; L14-Q63 WeakPolarHBondContact CA-O 3.34Å; L14-Q63 HydrophobicContact CD1-CB 3.72Å; L14-D65 HydrophobicContact CD1-CB 3.66Å; L14-D65 HydrophobicContact CG-CB 4.45Å; L14-K179 PolarHBondContact O-NZ 2.98Å
15H98.3Very high81.6Confident4 Ų463.3 Ų63.32%0.01936%0.36CS..EExtended strand (participates in β ladder)trans-114.5117175.9-60.466.1000108.9Q63 I64 D65 E87 M172 I175H15-Q63 PolarHBondContact N-O 3.19Å; H15-Q63 PolarHBondContact ND1-O 3.42Å; H15-I64 WeakPolarHBondContact O-CA 3.4Å; H15-D65 PolarHBondContact O-N 3.18Å; H15-E87 VanDerWaalsContact CA-OE2 3.31Å; H15-E87 WeakPolarHBondContact CA-OE2 3.32Å; H15-M172 HydrophobicContact CB-CE 4.13Å; H15-M172 HydrophobicContact CB-CG 4.29Å; H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 HydrophobicContact CB-CG2 4.35Å
16K98.5Very high84.2Confident73 Ų7355 Ų5532%0.31733%0.329SS..EExtended strand (participates in β ladder)trans-93.7110.9-179.4-63.7-178.4176.6-1750110.7L14 D65 S85 E87 G88L14-K16 HydrophobicContact CD2-CG 4.35Å; L14-K16 HydrophobicContact CG-CG 4.42Å; K16-D65 CarbonylContact C-O 3.55Å; K16-D65 WeakPolarHBondContact CA-O 3.42Å; K16-D65 HydrophobicContact CG-CB 4.4Å; K16-S85 VanDerWaalsContact CD-O 3.32Å; K16-S85 WeakPolarHBondContact CD-O 3.42Å; K16-E87 HydrophobicContact CB-CB 4.4Å; K16-E87 HydrophobicContact CB-CG 4.1Å; K16-E87 PolarHBondContact N-OE2 3.11Å; K16-E87 WeakPolarHBondContact O-CA 3.2Å; K16-E87 PolarHBondContact O-N 3.14Å; K16-G88 PolarHBondContact O-N 3.17Å; K16-G88 VanDerWaalsContact O-N 3.15Å
17V98.7Very high86.6Confident0 Ų049.8 Ų49.80%029%0.293CS..EExtended strand (participates in β ladder)trans-105134.9178.3173.20000108.9M19 I64 D65 I66 L67 G88 L90 F168 L171 I175V17-M19 HydrophobicContact CG1-SD 4.44Å; V17-I64 HydrophobicContact CB-CD1 4.38Å; V17-I64 HydrophobicContact CG2-CD1 3.88Å; V17-I64 HydrophobicContact CG2-CG1 4.11Å; V17-D65 PolarHBondContact N-O 3.06Å; V17-I66 HydrophobicContact CB-CG1 4.49Å; V17-I66 CarbonylContact O-C 3.49Å; V17-I66 WeakPolarHBondContact O-CA 3.32Å; V17-L67 PolarHBondContact O-N 2.97Å; V17-G88 WeakPolarHBondContact CA-O 2.85Å; V17-L90 HydrophobicContact CG1-CD1 4.28Å; V17-L90 HydrophobicContact CG1-CG 4.07Å; V17-F168 HydrophobicContact CG1-CD1 4.5Å; V17-F168 HydrophobicContact CG1-CE1 4.41Å; V17-L171 HydrophobicContact CB-CD2 4.34Å; V17-L171 HydrophobicContact CG1-CD2 3.66Å; V17-L171 HydrophobicContact CG2-CD2 3.85Å; V17-I175 HydrophobicContact CG2-CD1 3.91Å
18I97.4Very high88.9Confident4 Ų441.3 Ų41.32%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-111.3127.2173-45.4-60.9000108.5V20 L67 T69 F83 G88 F89 L90I18-V20 HydrophobicContact CG2-CG1 3.93Å; I18-L67 HydrophobicContact CD1-CB 3.58Å; I18-L67 HydrophobicContact CD1-CD2 3.83Å; I18-L67 HydrophobicContact CD1-CG 4.35Å; I18-L67 HydrophobicContact CG2-CD2 4.47Å; I18-T69 HydrophobicContact CG2-CG2 3.8Å; I18-F83 HydrophobicContact CG2-CD1 4.48Å; I18-G88 PolarHBondContact N-O 3.21Å; I18-F89 HydrophobicContact CB-CD1 3.78Å; I18-F89 HydrophobicContact CB-CE1 3.9Å; I18-F89 HydrophobicContact CG1-CD1 4.19Å; I18-F89 HydrophobicContact CG1-CE1 3.84Å; I18-F89 HydrophobicContact CG1-CZ 4.48Å; I18-F89 HydrophobicContact CG2-CD1 4.44Å; I18-F89 HydrophobicContact CG2-CE1 4.44Å; I18-F89 WeakPolarHBondContact O-CA 3.41Å; I18-L90 PolarHBondContact O-N 2.95Å
19M97Very high91.1Very high0 Ų039.2 Ų39.20%024%0.236CC..EExtended strand (participates in β ladder)trans-82.4126.7169.4-54.3-59.7-69.200108.5V17 K27 L30 I66 L67 T69 L90 V92 F168V17-M19 HydrophobicContact CG1-SD 4.44Å; M19-K27 HydrophobicContact CB-CB 4.06Å; M19-K27 HydrophobicContact CB-CD 4.12Å; M19-K27 HydrophobicContact CB-CG 4.33Å; M19-K27 HydrophobicContact CE-CB 4.47Å; M19-L30 HydrophobicContact CE-CB 4.22Å; M19-L30 HydrophobicContact CE-CD1 4.35Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 4.03Å; M19-L67 PolarHBondContact N-O 2.81Å; M19-T69 WeakPolarHBondContact O-CG2 3.39Å; M19-T69 PolarHBondContact O-OG1 3.39Å; M19-L90 HydrophobicContact CE-CB 4.11Å; M19-L90 HydrophobicContact CE-CD1 4.05Å; M19-L90 HydrophobicContact SD-CB 3.83Å; M19-L90 HydrophobicContact SD-CD1 3.69Å; M19-L90 HydrophobicContact SD-CG 4.2Å; M19-V92 HydrophobicContact CE-CG2 3.76Å; M19-F168 HydrophobicContact CE-CZ 4.17Å; M19-F168 HydrophobicContact SD-CE1 3.8Å; M19-F168 HydrophobicContact SD-CZ 3.93Å
20V95.2Very high93.2Very high1 Ų130 Ų301%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-132.1159.1174.6-57.40000110.5I18 F83 F89 L90 C91 V92 F107 I111I18-V20 HydrophobicContact CG2-CG1 3.93Å; V20-F83 HydrophobicContact CG1-CD1 4.46Å; V20-F83 HydrophobicContact CG1-CE1 3.55Å; V20-F83 HydrophobicContact CG1-CZ 4.04Å; V20-F89 HydrophobicContact CG1-CD1 4.36Å; V20-L90 PolarHBondContact N-O 3.05Å; V20-C91 HydrophobicContact CG2-CB 3.88Å; V20-V92 PolarHBondContact O-N 3.28Å; V20-F107 HydrophobicContact CB-CD1 3.99Å; V20-F107 HydrophobicContact CB-CE1 4.44Å; V20-F107 HydrophobicContact CB-CG 4.42Å; V20-F107 HydrophobicContact CG2-CB 4.26Å; V20-F107 HydrophobicContact CG2-CD1 4.45Å; V20-F107 HydrophobicContact CG2-CG 4.44Å; V20-I111 HydrophobicContact CG1-CD1 4.3Å; V20-I111 HydrophobicContact CG2-CD1 3.91Å
21G95.2Very high95Very high1 Ų122.5 Ų22.51%0.0115%0.153CC..  trans137.3163.5-174.700000112.3K27 V92 F107G21-K27 PolarHBondContact O-NZ 3.26Å; G21-V92 VanDerWaalsContact CA-O 3.29Å; G21-V92 WeakPolarHBondContact CA-O 3.01Å; G21-F107 VanDerWaalsContact C-CE2 3.5Å; G21-F107 VanDerWaalsContact C-CZ 3.5Å; G21-F107 VanDerWaalsContact CA-CE2 3.46Å
22S93.3Very high95.6Very high26 Ų2619.3 Ų19.318%0.18213%0.127CC..  trans-56.9166-177.8-56.90000113.5V25 K27S22-V25 VanDerWaalsContact O-CG2 3.29Å; S22-V25 WeakPolarHBondContact O-CG2 3.4Å; S22-K27 PolarHBondContact O-NZ 3.25Å
23G91.2Very high96Very high24 Ų2417.9 Ų17.925%0.24712%0.119CC..THydrogen-bonded Turntrans-59.2148171.300000111.5V25G23-V25 PolarHBondContact O-N 2.96Å; G23-V25 VanDerWaalsContact O-N 3.07Å
24G92.2Very high96.2Very high24 Ų2416 Ų1625%0.24710%0.103CC..THydrogen-bonded Turntrans71.2-2.2173.300000117.4G26 Y43 K128G24-G26 PolarHBondContact O-N 3.36Å; G24-Y43 PolarHBondContact N-OH 3.14Å; G24-K128 WeakPolarHBondContact O-CE 3.44Å; G24-K128 PolarHBondContact O-NZ 3.41Å
25V95.6Very high96.2Very high0 Ų014 Ų140%09%0.093CC..SBendtrans-71.5-15179.4-560000113.8S22 G23 K27 V92 N127S22-V25 VanDerWaalsContact O-CG2 3.29Å; S22-V25 WeakPolarHBondContact O-CG2 3.4Å; G23-V25 PolarHBondContact O-N 2.96Å; G23-V25 VanDerWaalsContact O-N 3.07Å; V25-K27 HydrophobicContact CG2-CG 3.76Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 3.99Å; V25-V92 HydrophobicContact CG2-CG1 3.86Å; V25-N127 PolarHBondContact O-ND2 2.92Å
26G96.3Very high96Very high17 Ų1719.7 Ų19.718%0.17512%0.115CC..SBendtrans99.427.2176.500000116.1G24 S28 A29 L30G24-G26 PolarHBondContact O-N 3.36Å; G26-S28 PolarHBondContact O-N 3.27Å; G26-A29 PolarHBondContact O-N 3.45Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 2.89Å
27K95.8Very high95.8Very high10 Ų1021.6 Ų21.64%0.04313%0.129CC..Hα-helixtrans-54.1-50.8174.1-60.8-172.9-60.1-74.60112.6M19 G21 S22 V25 L30 T31 D68 T69 V92M19-K27 HydrophobicContact CB-CB 4.06Å; M19-K27 HydrophobicContact CB-CD 4.12Å; M19-K27 HydrophobicContact CB-CG 4.33Å; M19-K27 HydrophobicContact CE-CB 4.47Å; G21-K27 PolarHBondContact O-NZ 3.26Å; S22-K27 PolarHBondContact O-NZ 3.25Å; V25-K27 HydrophobicContact CG2-CG 3.76Å; K27-L30 PolarHBondContact O-N 3.25Å; K27-T31 WeakPolarHBondContact O-CB 3.36Å; K27-T31 PolarHBondContact O-N 2.91Å; K27-T31 PolarHBondContact O-OG1 3.46Å; K27-D68 WeakPolarHBondContact CB-OD1 3.37Å; K27-T69 WeakPolarHBondContact CE-O 3.44Å; K27-V92 HydrophobicContact CG-CB 4.17Å; K27-V92 HydrophobicContact CG-CG2 4.28Å
28S95.1Very high95.5Very high27 Ų2726.9 Ų26.919%0.18915%0.153CC..Hα-helixtrans-66.3-41178.4-47.30000111.9G26 L30 T31 L32 T46 D68G26-S28 PolarHBondContact O-N 3.27Å; S28-L30 PolarHBondContact O-N 3.47Å; S28-T31 PolarHBondContact O-N 3.16Å; S28-L32 WeakPolarHBondContact O-CB 3.44Å; S28-L32 WeakPolarHBondContact O-CG 3.34Å; S28-L32 PolarHBondContact O-N 2.97Å; S28-T46 PolarHBondContact OG-OG1 2.85Å; S28-D68 WeakPolarHBondContact CA-OD2 3.49Å; S28-D68 WeakPolarHBondContact CB-OD2 3.29Å; S28-D68 PolarHBondContact OG-OD1 3.27Å; S28-D68 PolarHBondContact OG-OD2 3.01Å
29A96.4Very high95.2Very high23 Ų2330.2 Ų30.219%0.1917%0.168CC..Hα-helixtrans-61.6-43.4176.100000112.1G26 Q33 F39 A158G26-A29 PolarHBondContact O-N 3.45Å; A29-Q33 WeakPolarHBondContact O-CB 3.44Å; A29-Q33 PolarHBondContact O-N 3.44Å; A29-F39 HydrophobicContact CB-CD2 4.24Å; A29-F39 HydrophobicContact CB-CE2 4.09Å; A29-A158 HydrophobicContact CB-CB 3.64Å
30L98.4Very high94.6Very high1 Ų134 Ų341%0.00519%0.191CC..Hα-helixtrans-62.9-42.5173.3-73.2173000111.9M19 G26 K27 S28 F34 V92 V125 N127 A158 V164M19-L30 HydrophobicContact CE-CB 4.22Å; M19-L30 HydrophobicContact CE-CD1 4.35Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 2.89Å; K27-L30 PolarHBondContact O-N 3.25Å; S28-L30 PolarHBondContact O-N 3.47Å; L30-F34 WeakPolarHBondContact O-CB 3.35Å; L30-F34 PolarHBondContact O-N 2.95Å; L30-V92 HydrophobicContact CD1-CG1 3.92Å; L30-V92 HydrophobicContact CD1-CG2 4.14Å; L30-V125 HydrophobicContact CD1-CG1 4.18Å; L30-N127 HydrophobicContact CD1-CB 4.25Å; L30-A158 HydrophobicContact CD2-CB 3.91Å; L30-A158 HydrophobicContact CG-CB 4.17Å; L30-V164 HydrophobicContact CD2-CG2 3.79Å
31T97.2Very high94Very high0 Ų040.9 Ų40.90%022%0.223CC..Hα-helixtrans-62.5-54.6179.4-58.30000110.9K27 S28 Q33 F34 M35 Y51 I66 D68K27-T31 WeakPolarHBondContact O-CB 3.36Å; K27-T31 PolarHBondContact O-N 2.91Å; K27-T31 PolarHBondContact O-OG1 3.46Å; S28-T31 PolarHBondContact O-N 3.16Å; T31-Q33 VanDerWaalsContact C-N 3.33Å; T31-Q33 PolarHBondContact O-N 2.9Å; T31-F34 PolarHBondContact O-N 3.39Å; T31-M35 HydrophobicContact CG2-CG 4.22Å; T31-M35 WeakPolarHBondContact O-CB 3.45Å; T31-M35 WeakPolarHBondContact O-CG 3.4Å; T31-M35 PolarHBondContact O-N 2.92Å; T31-Y51 HydrophobicContact CG2-CD2 3.56Å; T31-Y51 HydrophobicContact CG2-CE2 3.98Å; T31-Y51 HydrophobicContact CG2-CG 4.13Å; T31-I66 HydrophobicContact CG2-CB 4.22Å; T31-I66 HydrophobicContact CG2-CD1 4.26Å; T31-I66 HydrophobicContact CG2-CG2 3.8Å; T31-D68 HydrophobicContact CG2-CB 4.42Å
32L95.7Very high93.4Very high37 Ų3747.4 Ų47.419%0.19426%0.258CS..Hα-helixtrans-63.1-39.3179.9-65.5177000111.8S28 F34 M35 Y36 E38 Y51S28-L32 WeakPolarHBondContact O-CB 3.44Å; S28-L32 WeakPolarHBondContact O-CG 3.34Å; S28-L32 PolarHBondContact O-N 2.97Å; L32-F34 PolarHBondContact O-N 2.89Å; L32-M35 PolarHBondContact O-N 2.85Å; L32-Y36 HydrophobicContact CD2-CD2 3.89Å; L32-Y36 HydrophobicContact CD2-CE2 4Å; L32-Y36 PolarHBondContact O-N 3.3Å; L32-E38 CarbonylContact C-O 3.58Å; L32-Y51 HydrophobicContact CD2-CE1 3.83Å
33Q97.5Very high92.4Very high12 Ų1252.9 Ų52.96%0.05628%0.275CS..Hα-helixtrans-61.6-45.2176.3-173.166.3-65.600111A29 T31 D37 E38 A158 R161 V164A29-Q33 WeakPolarHBondContact O-CB 3.44Å; A29-Q33 PolarHBondContact O-N 3.44Å; T31-Q33 VanDerWaalsContact C-N 3.33Å; T31-Q33 PolarHBondContact O-N 2.9Å; Q33-D37 WeakPolarHBondContact O-CA 3.42Å; Q33-D37 PolarHBondContact O-N 3.46Å; Q33-D37 VanDerWaalsContact OE1-CA 3.31Å; Q33-E38 VanDerWaalsContact CA-O 3.27Å; Q33-E38 WeakPolarHBondContact CA-O 3.48Å; Q33-E38 PolarHBondContact N-O 2.85Å; Q33-E38 VanDerWaalsContact OE1-N 3.08Å; Q33-A158 WeakPolarHBondContact CG-O 3.32Å; Q33-A158 PolarHBondContact NE2-O 2.92Å; Q33-R161 HydrophobicContact CG-CB 4.4Å; Q33-R161 HydrophobicContact CG-CG 4.07Å; Q33-R161 PolarHBondContact O-NH1 2.67Å; Q33-R161 PolarHBondContact O-NH2 2.95Å; Q33-V164 HydrophobicContact CB-CG1 4.25Å; Q33-V164 HydrophobicContact CG-CG1 4.12Å; Q33-V164 HydrophobicContact CG-CG2 4.13Å
34F98.3Very high91.8Very high3 Ų359.6 Ų59.61%0.01330%0.3CS..Hα-helixtrans-66.2-40.6175.6178.3-105.4000113.2L30 T31 L32 K53 V55 I64 I66 V164 D165 F168 F169L30-F34 WeakPolarHBondContact O-CB 3.35Å; L30-F34 PolarHBondContact O-N 2.95Å; T31-F34 PolarHBondContact O-N 3.39Å; L32-F34 PolarHBondContact O-N 2.89Å; F34-K53 PolarHBondContact O-NZ 3.05Å; F34-V55 HydrophobicContact CZ-CG1 4.12Å; F34-I64 HydrophobicContact CE1-CD1 4.06Å; F34-I64 HydrophobicContact CE1-CG2 3.89Å; F34-I64 HydrophobicContact CZ-CG2 4.47Å; F34-I66 HydrophobicContact CD1-CD1 3.62Å; F34-I66 HydrophobicContact CE1-CD1 4.02Å; F34-V164 HydrophobicContact CB-CG1 3.84Å; F34-D165 WeakPolarHBondContact CD2-OD1 3.31Å; F34-F168 HydrophobicContact CB-CD2 3.55Å; F34-F168 HydrophobicContact CB-CE2 3.41Å; F34-F168 VanDerWaalsContact CB-CE2 3.41Å; F34-F168 HydrophobicContact CB-CG 4.45Å; F34-F168 HydrophobicContact CB-CZ 4.2Å; F34-F168 HydrophobicContact CD1-CB 4.43Å; F34-F168 HydrophobicContact CD1-CD1 4.31Å; F34-F168 AromaticContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CE2 4.21Å; F34-F168 AromaticContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD2-CB 4Å; F34-F168 AromaticContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 AromaticContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CE1-CB 4.19Å; F34-F168 HydrophobicContact CE1-CD1 4.48Å; F34-F168 HydrophobicContact CE1-CD2 4.48Å; F34-F168 HydrophobicContact CE1-CG 4.14Å; F34-F168 HydrophobicContact CE2-CB 3.73Å; F34-F168 HydrophobicContact CE2-CD2 4.18Å; F34-F168 HydrophobicContact CE2-CG 4.16Å; F34-F168 HydrophobicContact CG-CB 4.34Å; F34-F168 AromaticContact CG-CD2 3.36Å; F34-F168 HydrophobicContact CG-CD2 3.36Å; F34-F168 AromaticContact CG-CE2 3.74Å; F34-F168 HydrophobicContact CG-CE2 3.74Å; F34-F168 AromaticContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CZ 4.48Å; F34-F168 HydrophobicContact CZ-CB 3.82Å; F34-F168 HydrophobicContact CZ-CG 4.23Å; F34-F169 HydrophobicContact CE2-CE2 4.09Å
35M96.4Very high91.3Very high8 Ų863.3 Ų63.34%0.03932%0.32CS..Hα-helixtrans-75.3-44.2-174.4-66.2-54.4-85.100112.7T31 L32 Y51 K53 I66T31-M35 HydrophobicContact CG2-CG 4.22Å; T31-M35 WeakPolarHBondContact O-CB 3.45Å; T31-M35 WeakPolarHBondContact O-CG 3.4Å; T31-M35 PolarHBondContact O-N 2.92Å; L32-M35 PolarHBondContact O-N 2.85Å; M35-Y51 VanDerWaalsContact CE-C 3.5Å; M35-K53 HydrophobicContact CE-CB 3.31Å; M35-K53 HydrophobicContact CE-CD 4.4Å; M35-K53 HydrophobicContact CE-CG 4.5Å; M35-K53 PolarHBondContact O-NZ 3.07Å; M35-K53 HydrophobicContact SD-CB 3.76Å; M35-K53 HydrophobicContact SD-CD 4.01Å; M35-I66 HydrophobicContact CG-CD1 4.14Å; M35-I66 HydrophobicContact SD-CD1 3.72Å
36Y95.4Very high90.6Very high123 Ų12364.6 Ų64.648%0.48233%0.328SS..Hα-helixtrans-126.9-1.2-166.3-54.5-59.5000114.9L32 E38 Y51L32-Y36 HydrophobicContact CD2-CD2 3.89Å; L32-Y36 HydrophobicContact CD2-CE2 4Å; L32-Y36 PolarHBondContact O-N 3.3Å; Y36-E38 PolarHBondContact O-N 3.48Å; Y36-Y51 AromaticContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å
37D94.5Very high89.7Confident112 Ų11272.4 Ų72.460%0.59936%0.357SS*.SBendtrans58.736.8-173.8-160.737.6000112.3Q33 R161Q33-D37 WeakPolarHBondContact O-CA 3.42Å; Q33-D37 PolarHBondContact O-N 3.46Å; Q33-D37 VanDerWaalsContact OE1-CA 3.31Å; D37-R161 IonicContact OD1-CZ 3.82Å; D37-R161 IonicContact OD1-NE 3.11Å; D37-R161 IonicContact OD1-NH1 3.59Å; D37-R161 PolarHBondContact OD1-NH1 3.21Å
38E90.7Very high89Confident111 Ų11173.3 Ų73.352%0.51937%0.366SS..  trans-121.1136.8-180-69.1-17817500111.4L32 Q33 Y36L32-E38 CarbonylContact C-O 3.58Å; Q33-E38 VanDerWaalsContact CA-O 3.27Å; Q33-E38 WeakPolarHBondContact CA-O 3.48Å; Q33-E38 PolarHBondContact N-O 2.85Å; Q33-E38 VanDerWaalsContact OE1-N 3.08Å; Y36-E38 PolarHBondContact O-N 3.48Å
39F90.8Very high88.8Confident74 Ų7475.7 Ų75.733%0.32538%0.377SS..  trans-118.7113.4168.1177.7-106000109.3A29 E41 A158 K159A29-F39 HydrophobicContact CB-CD2 4.24Å; A29-F39 HydrophobicContact CB-CE2 4.09Å; F39-E41 HydrophobicContact CD1-CG 4.06Å; F39-E41 HydrophobicContact CE1-CG 3.59Å; F39-A158 HydrophobicContact CD2-CB 4.09Å; F39-A158 HydrophobicContact CE2-CB 4.12Å; F39-K159 HydrophobicContact CD1-CB 4.34Å; F39-K159 HydrophobicContact CD1-CG 4.08Å; F39-K159 HydrophobicContact CD2-CB 4.41Å; F39-K159 HydrophobicContact CE1-CB 3.93Å; F39-K159 HydrophobicContact CE1-CD 4.16Å; F39-K159 HydrophobicContact CE1-CG 3.7Å; F39-K159 HydrophobicContact CE2-CB 4.04Å; F39-K159 HydrophobicContact CZ-CB 3.79Å; F39-K159 HydrophobicContact CZ-CD 4.45Å; F39-K159 HydrophobicContact CZ-CG 4.06Å
40V85.7Confident88.7Confident79 Ų7977.9 Ų77.948%0.47939%0.39SS..  trans-94.2119.1175.9-176.20000108.2D42V40-D42 HydrophobicContact CG1-CB 4.4Å
41E81.8Confident88.6Confident147 Ų14780 Ų8069%0.68740%0.399SS*.  trans-71.7-34.2-179.7-77.1-170.5166.700112.6F39 Y43F39-E41 HydrophobicContact CD1-CG 4.06Å; F39-E41 HydrophobicContact CE1-CG 3.59Å; E41-Y43 PolarHBondContact O-N 2.93Å
42D82.2Confident88.6Confident138 Ų13887 Ų8774%0.73843%0.425SS*.SBendtrans-71.6125.6179.2-67.7-34.6000110.7V40V40-D42 HydrophobicContact CG1-CB 4.4Å
43Y73Confident88.6Confident141 Ų14188.9 Ų88.955%0.55343%0.432SS*.  trans-92.2115.9179.4175.6-106.3000111.2G24 E41 P45G24-Y43 PolarHBondContact N-OH 3.14Å; E41-Y43 PolarHBondContact O-N 2.93Å; Y43-P45 HydrophobicContact CE1-CG 3.95Å
44E79.1Confident88.6Confident165 Ų16594.2 Ų94.277%0.77146%0.455SS*.  trans-110.6129.8165.5-64.5-166.7153.100110T46E44-T46 PolarHBondContact O-N 2.79Å
45P82.2Confident88.6Confident102 Ų10294.7 Ų94.766%0.66246%0.458SS*.  trans-60.2120.5174.2-25.334.4000112.5Y43Y43-P45 HydrophobicContact CE1-CG 3.95Å
46T80.8Confident88.7Confident27 Ų2798.8 Ų98.817%0.16648%0.483CS..  trans-72143.1178-41.30000111.2S28 E44 A70S28-T46 PolarHBondContact OG-OG1 2.85Å; E44-T46 PolarHBondContact O-N 2.79Å; T46-A70 WeakPolarHBondContact O-CA 3.45Å; T46-A70 WeakPolarHBondContact O-CB 3.44Å
47K77.6Confident88.8Confident181 Ų18193 Ų9379%0.78746%0.46SS*.  trans-85.5-73.7167.5-71.6-177.9179.21760110.3A70K47-A70 VanDerWaalsContact O-CB 3.3Å; K47-A70 WeakPolarHBondContact O-CB 3.38Å; K47-A70 PolarHBondContact O-N 3.07Å; K47-A70 VanDerWaalsContact O-N 3.1Å
48A80.6Confident88.9Confident28 Ų2891.9 Ų91.923%0.23146%0.455CS..EExtended strand (participates in β ladder)trans-170.5129.7163.600000107.2D68 Y82A48-D68 CarbonylContact C-O 3.47Å; A48-D68 VanDerWaalsContact CA-O 3.23Å; A48-D68 WeakPolarHBondContact CA-O 3.45Å; A48-Y82 HydrophobicContact CB-CE2 4.34Å
49D90.1Very high89.1Confident78 Ų7890.1 Ų90.142%0.41747%0.466SS..EExtended strand (participates in β ladder)trans-134.4141.3-178.5-70.8-68.4000110.3Y51 D68D49-Y51 HydrophobicContact CB-CD2 4.41Å; D49-Y51 HydrophobicContact CB-CE2 3.55Å; D49-D68 PolarHBondContact N-O 2.86Å; D49-D68 PolarHBondContact O-N 3.38Å
50S93.9Very high89.4Confident68 Ų6890.6 Ų90.648%0.47647%0.469SS..EExtended strand (participates in β ladder)trans-110.6126178.3162.60000109.7D65 I66S50-D65 PolarHBondContact OG-OD1 3.22Å; S50-I66 CarbonylContact C-O 3.6Å; S50-I66 WeakPolarHBondContact CA-O 3.26Å
51Y96.4Very high90Very high45 Ų4591.4 Ų91.418%0.17647%0.468CS..EExtended strand (participates in β ladder)trans-118132.7-179.7-55.6-94.9000109.7T31 L32 M35 Y36 D49 D65 I66 D68T31-Y51 HydrophobicContact CG2-CD2 3.56Å; T31-Y51 HydrophobicContact CG2-CE2 3.98Å; T31-Y51 HydrophobicContact CG2-CG 4.13Å; L32-Y51 HydrophobicContact CD2-CE1 3.83Å; M35-Y51 VanDerWaalsContact CE-C 3.5Å; Y36-Y51 AromaticContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å; D49-Y51 HydrophobicContact CB-CD2 4.41Å; D49-Y51 HydrophobicContact CB-CE2 3.55Å; Y51-D65 WeakPolarHBondContact O-CA 3.44Å; Y51-I66 PolarHBondContact N-O 2.93Å; Y51-I66 PolarHBondContact O-N 3.34Å; Y51-D68 HydrophobicContact CD2-CB 4.5Å; Y51-D68 HydrophobicContact CE2-CB 4.11Å
52R97.5Very high90.7Very high148 Ų14884.5 Ų84.556%0.55844%0.436SS*.EExtended strand (participates in β ladder)trans-122.8134.9179.7-71.3-175.1179.7168.33.9112.7I64 D65R52-I64 VanDerWaalsContact CA-O 3.31Å; R52-I64 WeakPolarHBondContact CA-O 3.35Å; R52-D65 HydrophobicContact CG-CB 3.81Å; R52-D65 IonicContact CZ-OD2 3.21Å; R52-D65 VanDerWaalsContact NE-CG 3.3Å; R52-D65 IonicContact NE-OD1 3.88Å; R52-D65 IonicContact NE-OD2 2.81Å; R52-D65 PolarHBondContact NE-OD2 3.09Å; R52-D65 IonicContact NH2-OD2 2.75Å; R52-D65 PolarHBondContact NH2-OD2 3.4Å
53K96Very high91.5Very high77 Ų7780.5 Ų80.534%0.33541%0.413SS..EExtended strand (participates in β ladder)trans-145.1146.1179.7177171.8179.8175.70110.2F34 M35 V55 Q63 I64F34-K53 PolarHBondContact O-NZ 3.05Å; M35-K53 HydrophobicContact CE-CB 3.31Å; M35-K53 HydrophobicContact CE-CD 4.4Å; M35-K53 HydrophobicContact CE-CG 4.5Å; M35-K53 PolarHBondContact O-NZ 3.07Å; M35-K53 HydrophobicContact SD-CB 3.76Å; M35-K53 HydrophobicContact SD-CD 4.01Å; K53-V55 HydrophobicContact CD-CG1 4.42Å; K53-V55 HydrophobicContact CG-CG1 4.07Å; K53-Q63 WeakPolarHBondContact O-CA 3.41Å; K53-I64 HydrophobicContact CB-CG2 4.44Å; K53-I64 PolarHBondContact N-O 3.01Å; K53-I64 VanDerWaalsContact N-O 3.13Å; K53-I64 PolarHBondContact O-N 2.95Å
54K97.8Very high92.7Very high123 Ų12373.8 Ų73.854%0.53539%0.386SS..EExtended strand (participates in β ladder)trans-85.2133168.2-66.8-179.7176.3-1680108.8L12 E61 V62 Q63L12-K54 HydrophobicContact CD1-CD 3.92Å; L12-K54 HydrophobicContact CD1-CG 4.04Å; K54-E61 WeakPolarHBondContact CD-OE1 3.36Å; K54-V62 WeakPolarHBondContact CA-O 2.91Å; K54-Q63 HydrophobicContact CG-CG 3.91Å
55V98Very high93.6Very high14 Ų1466.6 Ų66.69%0.08535%0.353CS..EExtended strand (participates in β ladder)trans-136.1162.2177.9-60.10000109.5F34 K53 V62 I64 F169 M172F34-V55 HydrophobicContact CZ-CG1 4.12Å; K53-V55 HydrophobicContact CD-CG1 4.42Å; K53-V55 HydrophobicContact CG-CG1 4.07Å; V55-V62 HydrophobicContact CG2-CG2 3.71Å; V55-V62 PolarHBondContact N-O 3.17Å; V55-V62 PolarHBondContact O-N 2.81Å; V55-V62 VanDerWaalsContact O-O 3.11Å; V55-I64 HydrophobicContact CG1-CG2 4.32Å; V55-F169 HydrophobicContact CB-CE1 4.06Å; V55-F169 HydrophobicContact CB-CZ 4.14Å; V55-F169 HydrophobicContact CG2-CE1 4.01Å; V55-M172 HydrophobicContact CG2-CE 3.69Å; V55-M172 HydrophobicContact CG2-SD 4.08Å
56V98.1Very high94.4Very high94 Ų9461.8 Ų61.857%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-101.5111.3172.2179.50000108.1E60 F169V56-E60 CarbonylContact C-O 3.57Å; V56-E60 WeakPolarHBondContact CA-O 3.37Å; V56-F169 WeakPolarHBondContact O-CE1 3.48Å
57L98Very high95.1Very high0 Ų061.7 Ų61.70%032%0.32CS..EExtended strand (participates in β ladder)trans-104.2112.7175.7177.368.8000109.2G59 E60 V62 F169 M172 R173 R176L57-G59 PolarHBondContact O-N 2.65Å; L57-E60 PolarHBondContact N-O 3.12Å; L57-E60 PolarHBondContact O-N 2.72Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; L57-F169 HydrophobicContact CD1-CD1 3.79Å; L57-M172 HydrophobicContact CD1-CB 4.41Å; L57-M172 HydrophobicContact CD2-CB 4.01Å; L57-M172 HydrophobicContact CD2-CE 4.47Å; L57-R173 HydrophobicContact CD1-CG 3.75Å; L57-R176 HydrophobicContact CD2-CB 4.48Å
58D96.2Very high95.9Very high90 Ų9053 Ų5348%0.48128%0.282SS..THydrogen-bonded Turntrans50.443.1178.8-46.5-38.9000112.9E60 R173 R176D58-E60 VanDerWaalsContact C-N 3.35Å; D58-E60 PolarHBondContact O-N 2.92Å; D58-R173 IonicContact OD1-CZ 3.99Å; D58-R173 IonicContact OD1-NE 3.64Å; D58-R173 PolarHBondContact OD1-NE 3.19Å; D58-R173 IonicContact OD1-NH2 2.67Å; D58-R173 PolarHBondContact OD1-NH2 2.84Å; D58-R173 IonicContact OD2-NE 3.43Å; D58-R173 PolarHBondContact OD2-NE 2.75Å; D58-R176 IonicContact OD2-NH1 3.53Å; D58-R176 PolarHBondContact OD2-NH1 2.95Å
59G96.2Very high96.3Very high73 Ų7352 Ų5275%0.75327%0.273SS*.THydrogen-bonded Turntrans84.2-3.2179.700000115.7L57L57-G59 PolarHBondContact O-N 2.65Å
60E96.4Very high95.8Very high85 Ų8549.2 Ų49.240%0.39726%0.261SS..EExtended strand (participates in β ladder)trans-105.6131.3178.2-170.6179.4171.300111.2V56 L57 D58 V62 R176V56-E60 CarbonylContact C-O 3.57Å; V56-E60 WeakPolarHBondContact CA-O 3.37Å; L57-E60 PolarHBondContact N-O 3.12Å; L57-E60 PolarHBondContact O-N 2.72Å; D58-E60 VanDerWaalsContact C-N 3.35Å; D58-E60 PolarHBondContact O-N 2.92Å; E60-V62 HydrophobicContact CG-CG1 4.21Å; E60-V62 PolarHBondContact O-N 3.12Å; E60-R176 IonicContact OE2-CZ 3.43Å; E60-R176 IonicContact OE2-NE 3.73Å; E60-R176 IonicContact OE2-NH2 3.89Å; E60-R176 PolarHBondContact OE2-NH2 3.32Å
61E97.8Very high94.5Very high96 Ų9647 Ų4745%0.44925%0.249SC..EExtended strand (participates in β ladder)trans-71.3122.2172.3-166.2-175.8-148.500109.7L12 K54L12-E61 HydrophobicContact CD1-CG 3.95Å; L12-E61 HydrophobicContact CD2-CB 4.18Å; L12-E61 HydrophobicContact CD2-CG 4.21Å; K54-E61 WeakPolarHBondContact CD-OE1 3.36Å
62V97.6Very high92.9Very high1 Ų152.7 Ų52.71%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-134.4163.4-179.5-60.90000109.9A13 K54 V55 L57 E60 M172A13-V62 HydrophobicContact CB-CG1 4.22Å; K54-V62 WeakPolarHBondContact CA-O 2.91Å; V55-V62 HydrophobicContact CG2-CG2 3.71Å; V55-V62 PolarHBondContact N-O 3.17Å; V55-V62 PolarHBondContact O-N 2.81Å; V55-V62 VanDerWaalsContact O-O 3.11Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; E60-V62 HydrophobicContact CG-CG1 4.21Å; E60-V62 PolarHBondContact O-N 3.12Å; V62-M172 HydrophobicContact CG2-CE 3.45Å; V62-M172 VanDerWaalsContact CG2-CE 3.45Å
63Q98.2Very high91.1Very high55 Ų5547 Ų4726%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-106142170-74.1179.658.400110.1L12 A13 L14 H15 K53 K54L12-Q63 HydrophobicContact CB-CG 4.18Å; L12-Q63 HydrophobicContact CD1-CG 4.05Å; A13-Q63 PolarHBondContact O-N 3.19Å; L14-Q63 CarbonylContact C-O 3.51Å; L14-Q63 WeakPolarHBondContact CA-O 3.34Å; L14-Q63 HydrophobicContact CD1-CB 3.72Å; H15-Q63 PolarHBondContact N-O 3.19Å; H15-Q63 PolarHBondContact ND1-O 3.42Å; K53-Q63 WeakPolarHBondContact O-CA 3.41Å; K54-Q63 HydrophobicContact CG-CG 3.91Å
64I98.6Very high89.3Confident0 Ų050.4 Ų50.40%028%0.279CS..EExtended strand (participates in β ladder)trans-111.9138.2164.9-173.8178.7000108.6H15 V17 F34 R52 K53 V55 I66 F168 M172H15-I64 WeakPolarHBondContact O-CA 3.4Å; V17-I64 HydrophobicContact CB-CD1 4.38Å; V17-I64 HydrophobicContact CG2-CD1 3.88Å; V17-I64 HydrophobicContact CG2-CG1 4.11Å; F34-I64 HydrophobicContact CE1-CD1 4.06Å; F34-I64 HydrophobicContact CE1-CG2 3.89Å; F34-I64 HydrophobicContact CZ-CG2 4.47Å; R52-I64 VanDerWaalsContact CA-O 3.31Å; R52-I64 WeakPolarHBondContact CA-O 3.35Å; K53-I64 HydrophobicContact CB-CG2 4.44Å; K53-I64 PolarHBondContact N-O 3.01Å; K53-I64 VanDerWaalsContact N-O 3.13Å; K53-I64 PolarHBondContact O-N 2.95Å; V55-I64 HydrophobicContact CG1-CG2 4.32Å; I64-I66 HydrophobicContact CD1-CD1 3.95Å; I64-I66 HydrophobicContact CD1-CG1 3.64Å; I64-I66 HydrophobicContact CG1-CG1 3.82Å; I64-F168 HydrophobicContact CD1-CB 4.44Å; I64-F168 HydrophobicContact CD1-CD1 3.88Å; I64-M172 HydrophobicContact CB-CE 3.96Å; I64-M172 HydrophobicContact CB-SD 3.93Å; I64-M172 HydrophobicContact CD1-CG 4.1Å; I64-M172 HydrophobicContact CD1-SD 3.75Å; I64-M172 HydrophobicContact CG1-SD 4.14Å
65D98.3Very high87.8Confident14 Ų1452.2 Ų52.28%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-120107.1171.4-178.7-4.6000107.3L14 H15 K16 V17 S50 Y51 R52L14-D65 HydrophobicContact CD1-CB 3.66Å; L14-D65 HydrophobicContact CG-CB 4.45Å; H15-D65 PolarHBondContact O-N 3.18Å; K16-D65 CarbonylContact C-O 3.55Å; K16-D65 WeakPolarHBondContact CA-O 3.42Å; K16-D65 HydrophobicContact CG-CB 4.4Å; V17-D65 PolarHBondContact N-O 3.06Å; S50-D65 PolarHBondContact OG-OD1 3.22Å; Y51-D65 WeakPolarHBondContact O-CA 3.44Å; R52-D65 HydrophobicContact CG-CB 3.81Å; R52-D65 IonicContact CZ-OD2 3.21Å; R52-D65 VanDerWaalsContact NE-CG 3.3Å; R52-D65 IonicContact NE-OD1 3.88Å; R52-D65 IonicContact NE-OD2 2.81Å; R52-D65 PolarHBondContact NE-OD2 3.09Å; R52-D65 IonicContact NH2-OD2 2.75Å; R52-D65 PolarHBondContact NH2-OD2 3.4Å
66I98.5Very high86.4Confident0 Ų053.8 Ų53.80%030%0.298CS..EExtended strand (participates in β ladder)trans-97.8116.1-179.6-54.6169.2000107.3V17 M19 T31 F34 M35 S50 Y51 I64 F168V17-I66 HydrophobicContact CB-CG1 4.49Å; V17-I66 CarbonylContact O-C 3.49Å; V17-I66 WeakPolarHBondContact O-CA 3.32Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 4.03Å; T31-I66 HydrophobicContact CG2-CB 4.22Å; T31-I66 HydrophobicContact CG2-CD1 4.26Å; T31-I66 HydrophobicContact CG2-CG2 3.8Å; F34-I66 HydrophobicContact CD1-CD1 3.62Å; F34-I66 HydrophobicContact CE1-CD1 4.02Å; M35-I66 HydrophobicContact CG-CD1 4.14Å; M35-I66 HydrophobicContact SD-CD1 3.72Å; S50-I66 CarbonylContact C-O 3.6Å; S50-I66 WeakPolarHBondContact CA-O 3.26Å; Y51-I66 PolarHBondContact N-O 2.93Å; Y51-I66 PolarHBondContact O-N 3.34Å; I64-I66 HydrophobicContact CD1-CD1 3.95Å; I64-I66 HydrophobicContact CD1-CG1 3.64Å; I64-I66 HydrophobicContact CG1-CG1 3.82Å; I66-F168 HydrophobicContact CD1-CD1 3.83Å; I66-F168 HydrophobicContact CD1-CE1 3.4Å; I66-F168 VanDerWaalsContact CD1-CE1 3.4Å; I66-F168 HydrophobicContact CD1-CZ 3.93Å; I66-F168 HydrophobicContact CG1-CD1 4.34Å; I66-F168 HydrophobicContact CG1-CE1 3.97Å; I66-F168 HydrophobicContact CG2-CE1 4.21Å
67L96.2Very high85.2Confident25 Ų2552.6 Ų52.613%0.13130%0.298CS..EExtended strand (participates in β ladder)trans-89.2109.1165-172.770.5000108.6V17 I18 M19 T69 Y82V17-L67 PolarHBondContact O-N 2.97Å; I18-L67 HydrophobicContact CD1-CB 3.58Å; I18-L67 HydrophobicContact CD1-CD2 3.83Å; I18-L67 HydrophobicContact CD1-CG 4.35Å; I18-L67 HydrophobicContact CG2-CD2 4.47Å; M19-L67 PolarHBondContact N-O 2.81Å; L67-T69 HydrophobicContact CD2-CG2 4.19Å; L67-T69 HydrophobicContact CG-CG2 4.18Å; L67-Y82 HydrophobicContact CD2-CD1 3.5Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.5Å; L67-Y82 HydrophobicContact CD2-CD2 4.07Å; L67-Y82 HydrophobicContact CD2-CE1 4.11Å; L67-Y82 HydrophobicContact CD2-CG 3.48Å; L67-Y82 VanDerWaalsContact CD2-CG 3.48Å
68D93Very high84.3Confident0 Ų055.7 Ų55.70%031%0.314CS..EExtended strand (participates in β ladder)trans-86.7122.1169.6-174.929.7000109.2K27 S28 T31 A48 D49 Y51K27-D68 WeakPolarHBondContact CB-OD1 3.37Å; S28-D68 WeakPolarHBondContact CA-OD2 3.49Å; S28-D68 WeakPolarHBondContact CB-OD2 3.29Å; S28-D68 PolarHBondContact OG-OD1 3.27Å; S28-D68 PolarHBondContact OG-OD2 3.01Å; T31-D68 HydrophobicContact CG2-CB 4.42Å; A48-D68 CarbonylContact C-O 3.47Å; A48-D68 VanDerWaalsContact CA-O 3.23Å; A48-D68 WeakPolarHBondContact CA-O 3.45Å; D49-D68 PolarHBondContact N-O 2.86Å; D49-D68 PolarHBondContact O-N 3.38Å; Y51-D68 HydrophobicContact CD2-CB 4.5Å; Y51-D68 HydrophobicContact CE2-CB 4.11Å
69T88.7Confident83.7Confident7 Ų754.5 Ų54.54%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-107.2158.4-172.4780000111.5I18 M19 K27 L67 E73 Y82I18-T69 HydrophobicContact CG2-CG2 3.8Å; M19-T69 WeakPolarHBondContact O-CG2 3.39Å; M19-T69 PolarHBondContact O-OG1 3.39Å; K27-T69 WeakPolarHBondContact CE-O 3.44Å; L67-T69 HydrophobicContact CD2-CG2 4.19Å; L67-T69 HydrophobicContact CG-CG2 4.18Å; T69-E73 WeakPolarHBondContact CB-OE1 3.5Å; T69-Y82 HydrophobicContact CG2-CD2 4.24Å
70A81Confident83.4Confident18 Ų1852.6 Ų52.615%0.14928%0.276CS..  trans-62.4149.2166.900000109.9T46 K47 Q72 E73T46-A70 WeakPolarHBondContact O-CA 3.45Å; T46-A70 WeakPolarHBondContact O-CB 3.44Å; K47-A70 VanDerWaalsContact O-CB 3.3Å; K47-A70 WeakPolarHBondContact O-CB 3.38Å; K47-A70 PolarHBondContact O-N 3.07Å; K47-A70 VanDerWaalsContact O-N 3.1Å; A70-Q72 PolarHBondContact O-N 2.88Å; A70-E73 HydrophobicContact CB-CB 4.41Å; A70-E73 HydrophobicContact CB-CG 4Å; A70-E73 PolarHBondContact N-OE1 2.9Å
71G65.4Low83Confident23 Ų2353 Ų5324%0.23728%0.28CS..SBendtrans-76-6.6170.900000114.6
72Q64.1Low82.6Confident164 Ų16451.1 Ų51.177%0.76627%0.269SS*.  trans-13512.4-163.1-70.1-164.8-19.800115.1A70 D74A70-Q72 PolarHBondContact O-N 2.88Å; Q72-D74 PolarHBondContact O-N 3.38Å
73E59.2Low82.5Confident27 Ų2751.2 Ų51.213%0.12627%0.27CS..  trans-67.2104.7-171.530.1-154.7155.300112.8T69 A70 Y75 R79T69-E73 WeakPolarHBondContact CB-OE1 3.5Å; A70-E73 HydrophobicContact CB-CB 4.41Å; A70-E73 HydrophobicContact CB-CG 4Å; A70-E73 PolarHBondContact N-OE1 2.9Å; E73-Y75 PolarHBondContact O-N 2.85Å; E73-R79 HydrophobicContact CG-CG 3.86Å; E73-R79 PolarHBondContact O-NE 2.87Å
74D57.9Low82.3Confident149 Ų14955.1 Ų55.180%0.79728%0.282SS*.  trans-55.7-14.7177.4-69.4-41.1000113Q72 A76Q72-D74 PolarHBondContact O-N 3.38Å; D74-A76 PolarHBondContact O-N 3.49Å
75Y65.7Low82Confident161 Ų16157.7 Ų57.763%0.63130%0.3SS*.  trans-9286.1-178-58.5-78.1000111E73 A77 I78 R79E73-Y75 PolarHBondContact O-N 2.85Å; Y75-A77 PolarHBondContact O-N 3Å; Y75-A77 VanDerWaalsContact O-N 3.1Å; Y75-I78 HydrophobicContact CD2-CD1 4.27Å; Y75-I78 HydrophobicContact CG-CD1 4.02Å; Y75-I78 PolarHBondContact O-N 3.13Å; Y75-R79 PolarHBondContact O-N 2.67Å
76A68.9Low82Confident47 Ų4757 Ų5739%0.38830%0.297SS..Hα-helixtrans-48.5-38.4174.200000112.9D74 I78 R79 D80D74-A76 PolarHBondContact O-N 3.49Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 2.81Å; A76-R79 PolarHBondContact O-N 2.66Å; A76-D80 PolarHBondContact O-N 2.84Å
77A74Confident82Confident70 Ų7060 Ų6058%0.57931%0.311SS*.Hα-helixtrans-64.4-33.6178.300000114Y75 N81Y75-A77 PolarHBondContact O-N 3Å; Y75-A77 VanDerWaalsContact O-N 3.1Å; A77-N81 PolarHBondContact O-N 2.9Å; A77-N81 PolarHBondContact O-ND2 3.29Å
78I78.6Confident82.1Confident65 Ų6558.8 Ų58.833%0.33330%0.304SS..Hα-helixtrans-71.6-45.4176.9-67.5178.5000109.4Y75 A76 D80 N81 Y82Y75-I78 HydrophobicContact CD2-CD1 4.27Å; Y75-I78 HydrophobicContact CG-CD1 4.02Å; Y75-I78 PolarHBondContact O-N 3.13Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 2.81Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 PolarHBondContact O-N 3.49Å; I78-N81 WeakPolarHBondContact O-CB 3.38Å; I78-N81 PolarHBondContact O-N 3.5Å; I78-N81 VanDerWaalsContact O-N 3.09Å; I78-Y82 HydrophobicContact CG2-CD2 4.23Å; I78-Y82 HydrophobicContact CG2-CE1 4.12Å; I78-Y82 HydrophobicContact CG2-CE2 3.45Å; I78-Y82 VanDerWaalsContact CG2-CE2 3.45Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.39Å; I78-Y82 PolarHBondContact O-N 3.01Å; I78-Y82 VanDerWaalsContact O-N 3.14Å
79R82.5Confident82.3Confident64 Ų6458.8 Ų58.824%0.24230%0.304CS..Hα-helixtrans-58.2-43.9174.8-71.8-170-79159.7-3.2112.2E73 Y75 A76 N81 Y82 F83E73-R79 HydrophobicContact CG-CG 3.86Å; E73-R79 PolarHBondContact O-NE 2.87Å; Y75-R79 PolarHBondContact O-N 2.67Å; A76-R79 PolarHBondContact O-N 2.66Å; R79-N81 PolarHBondContact O-N 2.81Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 3.37Å; R79-Y82 VanDerWaalsContact O-N 3.11Å; R79-F83 HydrophobicContact CB-CE2 4.37Å; R79-F83 HydrophobicContact CB-CZ 4.23Å; R79-F83 WeakPolarHBondContact O-CD1 3.31Å; R79-F83 VanDerWaalsContact O-CG 3.26Å; R79-F83 WeakPolarHBondContact O-CG 3.4Å; R79-F83 PolarHBondContact O-N 2.87Å
80D89.9Confident82.8Confident34 Ų3458.5 Ų58.518%0.18230%0.303CS..Hα-helixtrans-60.5-34.5177.3-75.28.7000112A76 I78 R84 Q110 R113 V114A76-D80 PolarHBondContact O-N 2.84Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 PolarHBondContact O-N 3.49Å; D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.32Å; D80-R84 PolarHBondContact O-N 3.32Å; D80-Q110 PolarHBondContact OD1-NE2 3.16Å; D80-R113 IonicContact OD1-NH2 2.76Å; D80-R113 IonicContact OD2-NH2 3.74Å; D80-V114 HydrophobicContact CB-CG2 4.02Å; D80-V114 WeakPolarHBondContact O-CG1 3.49Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.41Å
81N89.1Confident83.6Confident93 Ų9357.6 Ų57.650%0.49730%0.296SS..Hα-helixtrans-68-42.3174.8-70.5-23.4000112.2A77 I78 R79 R84 S85A77-N81 PolarHBondContact O-N 2.9Å; A77-N81 PolarHBondContact O-ND2 3.29Å; I78-N81 WeakPolarHBondContact O-CB 3.38Å; I78-N81 PolarHBondContact O-N 3.5Å; I78-N81 VanDerWaalsContact O-N 3.09Å; R79-N81 PolarHBondContact O-N 2.81Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-R84 PolarHBondContact OD1-NH1 3.43Å; N81-S85 PolarHBondContact O-N 3.38Å
82Y90.4Very high85.2Confident56 Ų5656.5 Ų56.522%0.2228%0.284CS..Hα-helixtrans-60.3-49.3174.4-59.6-28.8000111A48 L67 T69 I78 R79 R84 S85 G86A48-Y82 HydrophobicContact CB-CE2 4.34Å; L67-Y82 HydrophobicContact CD2-CD1 3.5Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.5Å; L67-Y82 HydrophobicContact CD2-CD2 4.07Å; L67-Y82 HydrophobicContact CD2-CE1 4.11Å; L67-Y82 HydrophobicContact CD2-CG 3.48Å; L67-Y82 VanDerWaalsContact CD2-CG 3.48Å; T69-Y82 HydrophobicContact CG2-CD2 4.24Å; I78-Y82 HydrophobicContact CG2-CD2 4.23Å; I78-Y82 HydrophobicContact CG2-CE1 4.12Å; I78-Y82 HydrophobicContact CG2-CE2 3.45Å; I78-Y82 VanDerWaalsContact CG2-CE2 3.45Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.39Å; I78-Y82 PolarHBondContact O-N 3.01Å; I78-Y82 VanDerWaalsContact O-N 3.14Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 3.37Å; R79-Y82 VanDerWaalsContact O-N 3.11Å; Y82-R84 VanDerWaalsContact C-N 3.35Å; Y82-R84 PolarHBondContact O-N 3.49Å; Y82-S85 PolarHBondContact O-N 2.82Å; Y82-S85 PolarHBondContact O-OG 2.61Å; Y82-G86 PolarHBondContact O-N 3.15Å
83F93.7Very high86.9Confident3 Ų348.7 Ų48.71%0.01325%0.248CC..Hα-helixtrans-64-39.9-178.4-61.9-6.7000111.8I18 V20 R79 S85 G86 F89 Q110 I111 V114 K115I18-F83 HydrophobicContact CG2-CD1 4.48Å; V20-F83 HydrophobicContact CG1-CD1 4.46Å; V20-F83 HydrophobicContact CG1-CE1 3.55Å; V20-F83 HydrophobicContact CG1-CZ 4.04Å; R79-F83 HydrophobicContact CB-CE2 4.37Å; R79-F83 HydrophobicContact CB-CZ 4.23Å; R79-F83 WeakPolarHBondContact O-CD1 3.31Å; R79-F83 VanDerWaalsContact O-CG 3.26Å; R79-F83 WeakPolarHBondContact O-CG 3.4Å; R79-F83 PolarHBondContact O-N 2.87Å; F83-S85 PolarHBondContact O-N 2.78Å; F83-G86 PolarHBondContact O-N 3.42Å; F83-F89 HydrophobicContact CB-CE1 4.13Å; F83-F89 HydrophobicContact CB-CZ 4.22Å; F83-F89 AromaticContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CG-CE1 4.12Å; F83-F89 WeakPolarHBondContact O-CZ 3.31Å; F83-Q110 HydrophobicContact CD2-CG 4.04Å; F83-Q110 HydrophobicContact CE2-CB 4.08Å; F83-Q110 HydrophobicContact CE2-CG 3.69Å; F83-I111 HydrophobicContact CD1-CG1 4.3Å; F83-I111 HydrophobicContact CD2-CG1 3.78Å; F83-I111 HydrophobicContact CE1-CG1 4.38Å; F83-I111 HydrophobicContact CE2-CG1 3.83Å; F83-I111 HydrophobicContact CG-CG1 4.02Å; F83-I111 HydrophobicContact CZ-CG1 4.15Å; F83-V114 HydrophobicContact CB-CB 4.16Å; F83-V114 HydrophobicContact CB-CG1 3.84Å; F83-V114 HydrophobicContact CD2-CG2 4.42Å; F83-K115 WeakPolarHBondContact O-CE 3.38Å; F83-K115 PolarHBondContact O-NZ 2.85Å
84R94.6Very high88.8Confident137 Ų13747.4 Ų47.452%0.51724%0.242SC..Hα-helixtrans-58.5-39174.5-165.9175.1-57.9102.55.9111.7D80 N81 Y82 V114 K115D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.32Å; D80-R84 PolarHBondContact O-N 3.32Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-R84 PolarHBondContact OD1-NH1 3.43Å; Y82-R84 VanDerWaalsContact C-N 3.35Å; Y82-R84 PolarHBondContact O-N 3.49Å; R84-V114 HydrophobicContact CB-CG1 4.1Å; R84-K115 PolarHBondContact O-NZ 2.97Å
85S93.1Very high90.7Very high54 Ų5440.3 Ų40.338%0.37820%0.204SC..Hα-helixtrans-81.7-24.8-177.579.80000115.5K16 N81 Y82 F83K16-S85 VanDerWaalsContact CD-O 3.32Å; K16-S85 WeakPolarHBondContact CD-O 3.42Å; N81-S85 PolarHBondContact O-N 3.38Å; Y82-S85 PolarHBondContact O-N 2.82Å; Y82-S85 PolarHBondContact O-OG 2.61Å; F83-S85 PolarHBondContact O-N 2.78Å
86G96.8Very high92.3Very high1 Ų133.5 Ų33.51%0.0118%0.179CC..  trans-66.9150.6-179.600000113Y82 F83 K115Y82-G86 PolarHBondContact O-N 3.15Å; F83-G86 PolarHBondContact O-N 3.42Å; G86-K115 WeakPolarHBondContact O-CE 3.48Å; G86-K115 PolarHBondContact O-NZ 2.96Å
87E98.4Very high93.7Very high61 Ų6134.3 Ų34.329%0.28517%0.174SC..SBendtrans-109-24.2175.5-65172.814000111.8H15 K16 P121 I175 K179H15-E87 VanDerWaalsContact CA-OE2 3.31Å; H15-E87 WeakPolarHBondContact CA-OE2 3.32Å; K16-E87 HydrophobicContact CB-CB 4.4Å; K16-E87 HydrophobicContact CB-CG 4.1Å; K16-E87 PolarHBondContact N-OE2 3.11Å; K16-E87 WeakPolarHBondContact O-CA 3.2Å; K16-E87 PolarHBondContact O-N 3.14Å; E87-P121 WeakPolarHBondContact O-CD 3.49Å; E87-P121 WeakPolarHBondContact O-CG 3.45Å; E87-I175 HydrophobicContact CB-CD1 4.25Å; E87-I175 HydrophobicContact CB-CG1 4.3Å; E87-I175 HydrophobicContact CB-CG2 3.78Å; E87-K179 WeakPolarHBondContact OE1-CE 3.47Å; E87-K179 IonicContact OE1-NZ 2.92Å; E87-K179 PolarHBondContact OE1-NZ 3.08Å; E87-K179 WeakPolarHBondContact OE2-CE 3.35Å; E87-K179 IonicContact OE2-NZ 2.72Å; E87-K179 PolarHBondContact OE2-NZ 3.07Å
88G98.7Very high94.9Very high0 Ų034.1 Ų34.10%016%0.163CC..EExtended strand (participates in β ladder)trans-149.4163.4167.100000112.3K16 V17 I18 P121K16-G88 PolarHBondContact O-N 3.17Å; K16-G88 VanDerWaalsContact O-N 3.15Å; V17-G88 WeakPolarHBondContact CA-O 2.85Å; I18-G88 PolarHBondContact N-O 3.21Å; G88-P121 CarbonylContact C-O 3.38Å; G88-P121 WeakPolarHBondContact CA-O 3.46Å
89F98.6Very high95.8Very high0 Ų039 Ų390%018%0.184CC..EExtended strand (participates in β ladder)trans-128.4125.8-170.8-61.2-92.5000111.3I18 V20 F83 I111 K115 V120 P121 F122 L123I18-F89 HydrophobicContact CB-CD1 3.78Å; I18-F89 HydrophobicContact CB-CE1 3.9Å; I18-F89 HydrophobicContact CG1-CD1 4.19Å; I18-F89 HydrophobicContact CG1-CE1 3.84Å; I18-F89 HydrophobicContact CG1-CZ 4.48Å; I18-F89 HydrophobicContact CG2-CD1 4.44Å; I18-F89 HydrophobicContact CG2-CE1 4.44Å; I18-F89 WeakPolarHBondContact O-CA 3.41Å; V20-F89 HydrophobicContact CG1-CD1 4.36Å; F83-F89 HydrophobicContact CB-CE1 4.13Å; F83-F89 HydrophobicContact CB-CZ 4.22Å; F83-F89 AromaticContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CG-CE1 4.12Å; F83-F89 WeakPolarHBondContact O-CZ 3.31Å; F89-I111 HydrophobicContact CB-CD1 4.01Å; F89-I111 HydrophobicContact CD1-CD1 3.44Å; F89-I111 VanDerWaalsContact CD1-CD1 3.44Å; F89-I111 HydrophobicContact CD1-CG1 3.83Å; F89-I111 HydrophobicContact CD1-CG2 4.2Å; F89-I111 HydrophobicContact CD2-CG2 3.68Å; F89-I111 HydrophobicContact CE1-CD1 4.02Å; F89-I111 HydrophobicContact CE1-CG1 3.87Å; F89-I111 HydrophobicContact CE1-CG2 4.1Å; F89-I111 HydrophobicContact CE2-CG2 3.58Å; F89-I111 HydrophobicContact CG-CD1 3.72Å; F89-I111 HydrophobicContact CG-CG1 4.3Å; F89-I111 HydrophobicContact CG-CG2 4.01Å; F89-I111 HydrophobicContact CZ-CG1 4.37Å; F89-I111 HydrophobicContact CZ-CG2 3.79Å; F89-K115 HydrophobicContact CE2-CG 4.28Å; F89-K115 HydrophobicContact CZ-CG 4.46Å; F89-V120 HydrophobicContact CD2-CG2 4.06Å; F89-V120 HydrophobicContact CE2-CG2 3.78Å; F89-P121 PolarHBondContact N-O 3.09Å; F89-F122 HydrophobicContact CB-CD2 3.88Å; F89-F122 HydrophobicContact CB-CE2 4.43Å; F89-F122 WeakPolarHBondContact O-CA 3.38Å; F89-L123 PolarHBondContact O-N 3.41Å
90L98.8Very high96.5Very high1 Ų136.1 Ų36.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-94.5107.8164.2-67.8-175.9000107.8V17 I18 M19 V20 V92 L123 V125 V167 F168 L171V17-L90 HydrophobicContact CG1-CD1 4.28Å; V17-L90 HydrophobicContact CG1-CG 4.07Å; I18-L90 PolarHBondContact O-N 2.95Å; M19-L90 HydrophobicContact CE-CB 4.11Å; M19-L90 HydrophobicContact CE-CD1 4.05Å; M19-L90 HydrophobicContact SD-CB 3.83Å; M19-L90 HydrophobicContact SD-CD1 3.69Å; M19-L90 HydrophobicContact SD-CG 4.2Å; V20-L90 PolarHBondContact N-O 3.05Å; L90-V92 HydrophobicContact CB-CG2 4.41Å; L90-L123 HydrophobicContact CD2-CB 3.88Å; L90-L123 HydrophobicContact CD2-CD2 4.2Å; L90-L123 HydrophobicContact CD2-CG 4.46Å; L90-V125 HydrophobicContact CB-CG2 4.45Å; L90-V125 HydrophobicContact CD2-CG2 4.06Å; L90-V167 HydrophobicContact CD1-CG2 4.22Å; L90-V167 HydrophobicContact CD2-CB 4.25Å; L90-F168 HydrophobicContact CD1-CD1 3.64Å; L90-F168 HydrophobicContact CD1-CE1 3.45Å; L90-F168 VanDerWaalsContact CD1-CE1 3.45Å; L90-F168 HydrophobicContact CD1-CE2 4.39Å; L90-F168 HydrophobicContact CD1-CG 4.2Å; L90-F168 HydrophobicContact CD1-CZ 3.86Å; L90-L171 HydrophobicContact CD2-CB 4.02Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.37Å; L90-L171 HydrophobicContact CG-CD2 3.67Å
91C98.4Very high96.9Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-93101.5177.5-169.80000109.5V20 F122 L123 V125V20-C91 HydrophobicContact CG2-CB 3.88Å; C91-F122 HydrophobicContact CB-CE1 3.75Å; C91-F122 HydrophobicContact CB-CE2 3.79Å; C91-F122 HydrophobicContact CB-CZ 3.22Å; C91-L123 PolarHBondContact N-O 3.2Å; C91-V125 PolarHBondContact O-N 3.44Å
92V98.8Very high97.4Very high0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-99131.9-170.1-168.80000110.6M19 V20 G21 V25 K27 L30 L90 V125 N127M19-V92 HydrophobicContact CE-CG2 3.76Å; V20-V92 PolarHBondContact O-N 3.28Å; G21-V92 VanDerWaalsContact CA-O 3.29Å; G21-V92 WeakPolarHBondContact CA-O 3.01Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 3.99Å; V25-V92 HydrophobicContact CG2-CG1 3.86Å; K27-V92 HydrophobicContact CG-CB 4.17Å; K27-V92 HydrophobicContact CG-CG2 4.28Å; L30-V92 HydrophobicContact CD1-CG1 3.92Å; L30-V92 HydrophobicContact CD1-CG2 4.14Å; L90-V92 HydrophobicContact CB-CG2 4.41Å; V92-V125 WeakPolarHBondContact CA-O 3.26Å; V92-V125 HydrophobicContact CG1-CG1 4.39Å; V92-V125 HydrophobicContact CG2-CB 4.21Å; V92-N127 HydrophobicContact CG1-CB 3.81Å
93F98.7Very high97.7Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-126.3165.8165.370.8-85.3000109.6I95 S100 F101 T104 L124 V125 G126 N127 V137 A142 Y153F93-I95 HydrophobicContact CE2-CG2 4.13Å; F93-S100 WeakPolarHBondContact CB-O 3.33Å; F93-F101 HydrophobicContact CB-CB 4.34Å; F93-F101 AromaticContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD2-CB 3.66Å; F93-F101 AromaticContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CG 4.2Å; F93-F101 AromaticContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CE2 4.13Å; F93-F101 HydrophobicContact CE2-CB 4.13Å; F93-F101 AromaticContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CG 4.24Å; F93-F101 HydrophobicContact CG-CB 4.02Å; F93-F101 AromaticContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CG 4.49Å; F93-F101 AromaticContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CE2 4.12Å; F93-T104 HydrophobicContact CB-CG2 3.9Å; F93-T104 HydrophobicContact CD1-CG2 4.12Å; F93-T104 HydrophobicContact CG-CG2 4.36Å; F93-L124 HydrophobicContact CD1-CD1 3.87Å; F93-L124 HydrophobicContact CD1-CG 4.41Å; F93-L124 HydrophobicContact CE1-CD1 3.93Å; F93-L124 HydrophobicContact CE1-CD2 4.44Å; F93-L124 HydrophobicContact CE1-CG 3.98Å; F93-V125 WeakPolarHBondContact CD1-O 3.25Å; F93-V125 PolarHBondContact N-O 3.41Å; F93-G126 VanDerWaalsContact CZ-CA 3.47Å; F93-N127 PolarHBondContact O-N 2.8Å; F93-V137 HydrophobicContact CD2-CG2 4.38Å; F93-V137 HydrophobicContact CE2-CB 4Å; F93-V137 HydrophobicContact CE2-CG1 3.81Å; F93-V137 HydrophobicContact CE2-CG2 4.14Å; F93-V137 HydrophobicContact CZ-CG1 4.29Å; F93-A142 HydrophobicContact CE1-CB 4.49Å; F93-A142 HydrophobicContact CZ-CB 3.85Å; F93-Y153 AromaticContact CE1-CE2 3.8Å; F93-Y153 HydrophobicContact CE1-CE2 3.8Å; F93-Y153 AromaticContact CZ-CE2 3.77Å; F93-Y153 HydrophobicContact CZ-CE2 3.77Å
94S98.7Very high97.8Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-94.4129.5171-178.30000109.6T96 E97 S100 K128S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.98Å; S94-T96 PolarHBondContact OG-OG1 2.98Å; S94-E97 PolarHBondContact O-N 3.11Å; S94-S100 PolarHBondContact N-OG 3.49Å; S94-S100 PolarHBondContact O-OG 2.93Å; S94-K128 WeakPolarHBondContact OG-CD 3.47Å; S94-K128 WeakPolarHBondContact OG-CE 3.15Å
95I98.9Very high98Very high0 Ų026.1 Ų26.10%015%0.149CC..THydrogen-bonded Turntrans-61.6-17.3175.765.7155.8000112.6F93 N127 K128 R135 Q136 V137F93-I95 HydrophobicContact CE2-CG2 4.13Å; I95-N127 WeakPolarHBondContact CG1-O 3.34Å; I95-N127 PolarHBondContact N-O 2.84Å; I95-K128 WeakPolarHBondContact CG1-O 3.38Å; I95-R135 HydrophobicContact CD1-CB 4.31Å; I95-R135 HydrophobicContact CD1-CG 4.36Å; I95-R135 VanDerWaalsContact CD1-CZ 3.49Å; I95-Q136 PolarHBondContact O-N 2.94Å; I95-V137 PolarHBondContact O-N 2.9Å
96T98.8Very high98Very high17 Ų1728.7 Ų28.710%0.10416%0.159CC..THydrogen-bonded Turntrans-90.4-0.8179.471.60000113.7S94 K128 L131 K134 Q136S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.98Å; S94-T96 PolarHBondContact OG-OG1 2.98Å; T96-K128 HydrophobicContact CG2-CB 4.49Å; T96-L131 HydrophobicContact CG2-CB 3.68Å; T96-L131 HydrophobicContact CG2-CD1 4.14Å; T96-K134 WeakPolarHBondContact CA-O 3.28Å; T96-K134 WeakPolarHBondContact CB-O 3.16Å; T96-K134 HydrophobicContact CG2-CB 3.85Å; T96-Q136 WeakPolarHBondContact O-CG 3.28Å; T96-Q136 PolarHBondContact O-NE2 3.45Å; T96-Q136 PolarHBondContact O-OE1 2.77Å
97E98.5Very high97.9Very high64 Ų6429.8 Ų29.830%0.29916%0.164SC..  trans-137.597.1-173.3-66.3162.6-136.600110.3S94 E99 S100 F101 K128S94-E97 PolarHBondContact O-N 3.11Å; E97-E99 VanDerWaalsContact C-N 3.26Å; E97-E99 PolarHBondContact O-N 3.04Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.11Å; E97-S100 PolarHBondContact O-OG 3.4Å; E97-F101 PolarHBondContact O-N 2.95Å; E97-K128 IonicContact OE1-NZ 3.42Å; E97-K128 PolarHBondContact OE1-NZ 2.81Å
98M98.4Very high97.8Very high67 Ų6729 Ų2933%0.3316%0.158SC..Hα-helixtrans-57-37.1-178.5-179.360.287.300113.1S100 F101 A102 Q136 V137 E141M98-S100 VanDerWaalsContact C-N 3.3Å; M98-S100 PolarHBondContact O-N 3.29Å; M98-F101 WeakPolarHBondContact O-CB 3.3Å; M98-F101 PolarHBondContact O-N 3.1Å; M98-F101 VanDerWaalsContact O-N 3.14Å; M98-F101 HydrophobicContact SD-CD1 3.98Å; M98-A102 PolarHBondContact O-N 2.86Å; M98-Q136 HydrophobicContact CB-CB 4.42Å; M98-Q136 WeakPolarHBondContact CE-O 3.04Å; M98-Q136 VanDerWaalsContact N-OE1 3.1Å; M98-V137 HydrophobicContact CE-CG2 4.46Å; M98-V137 HydrophobicContact SD-CG2 4.02Å; M98-E141 WeakPolarHBondContact CE-OE1 3.44Å
99E98Very high97.7Very high168 Ų16835.1 Ų35.179%0.78519%0.187SC*.Hα-helixtrans-61.8-38.1177.6-65.8177.3-176.200112.3E97 F101 A102 A103E97-E99 VanDerWaalsContact C-N 3.26Å; E97-E99 PolarHBondContact O-N 3.04Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.35Å; E99-A102 PolarHBondContact O-N 3.49Å; E99-A103 WeakPolarHBondContact O-CB 3.42Å; E99-A103 PolarHBondContact O-N 3.21Å
100S97.9Very high97.4Very high3 Ų336 Ų362%0.02119%0.191CC..Hα-helixtrans-66-34.8176.879.20000111.8F93 S94 E97 M98F93-S100 WeakPolarHBondContact CB-O 3.33Å; S94-S100 PolarHBondContact N-OG 3.49Å; S94-S100 PolarHBondContact O-OG 2.93Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.11Å; E97-S100 PolarHBondContact O-OG 3.4Å; M98-S100 VanDerWaalsContact C-N 3.3Å; M98-S100 PolarHBondContact O-N 3.29Å
101F98.8Very high97.2Very high1 Ų136 Ų360%0.00419%0.191CC..Hα-helixtrans-68.2-49.7172.4176.8-116.5000110.3F93 E97 M98 E99 A103 T104 L124 V137 E141 A142 R145F93-F101 HydrophobicContact CB-CB 4.34Å; F93-F101 AromaticContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD2-CB 3.66Å; F93-F101 AromaticContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CG 4.2Å; F93-F101 AromaticContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CE2 4.13Å; F93-F101 HydrophobicContact CE2-CB 4.13Å; F93-F101 AromaticContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CG 4.24Å; F93-F101 HydrophobicContact CG-CB 4.02Å; F93-F101 AromaticContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CG 4.49Å; F93-F101 AromaticContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CE2 4.12Å; E97-F101 PolarHBondContact O-N 2.95Å; M98-F101 WeakPolarHBondContact O-CB 3.3Å; M98-F101 PolarHBondContact O-N 3.1Å; M98-F101 VanDerWaalsContact O-N 3.14Å; M98-F101 HydrophobicContact SD-CD1 3.98Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.35Å; F101-A103 VanDerWaalsContact C-N 3.26Å; F101-A103 PolarHBondContact O-N 3.03Å; F101-T104 WeakPolarHBondContact O-CB 3.26Å; F101-T104 WeakPolarHBondContact O-CG2 3.46Å; F101-T104 PolarHBondContact O-N 2.82Å; F101-T104 PolarHBondContact O-OG1 3.21Å; F101-L124 HydrophobicContact CE2-CD2 4.27Å; F101-V137 HydrophobicContact CB-CG1 4.25Å; F101-V137 HydrophobicContact CB-CG2 3.66Å; F101-V137 HydrophobicContact CD1-CG1 3.81Å; F101-V137 HydrophobicContact CD1-CG2 4.37Å; F101-V137 HydrophobicContact CD2-CG1 4.08Å; F101-V137 HydrophobicContact CE1-CG1 4.11Å; F101-V137 HydrophobicContact CE2-CG1 4.35Å; F101-V137 HydrophobicContact CG-CG1 3.79Å; F101-V137 HydrophobicContact CG-CG2 4.13Å; F101-V137 HydrophobicContact CZ-CG1 4.36Å; F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 VanDerWaalsContact CE1-OE1 3.23Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.39Å; F101-E141 HydrophobicContact CZ-CG 4.27Å; F101-A142 HydrophobicContact CE2-CB 3.92Å; F101-A142 HydrophobicContact CZ-CB 4.25Å; F101-R145 HydrophobicContact CE2-CB 4.43Å; F101-R145 HydrophobicContact CZ-CB 3.97Å; F101-R145 HydrophobicContact CZ-CG 4.47Å; F101-R145 PolarHBondContact O-NH1 3.27Å
102A98.4Very high97.2Very high51 Ų5136.7 Ų36.742%0.42119%0.194SC..Hα-helixtrans-52.3-44.4177.600000112.4M98 E99 T104 A105M98-A102 PolarHBondContact O-N 2.86Å; E99-A102 PolarHBondContact O-N 3.49Å; A102-T104 PolarHBondContact O-N 3.07Å; A102-T104 VanDerWaalsContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 2.86Å
103A96.1Very high97.1Very high21 Ų2143.5 Ų43.517%0.17422%0.22CC..THydrogen-bonded Turntrans-62.1-19179.400000114.8E99 F101 A105 D106 F107E99-A103 WeakPolarHBondContact O-CB 3.42Å; E99-A103 PolarHBondContact O-N 3.21Å; F101-A103 VanDerWaalsContact C-N 3.26Å; F101-A103 PolarHBondContact O-N 3.03Å; A103-A105 PolarHBondContact O-N 3.31Å; A103-D106 PolarHBondContact O-N 3.42Å; A103-F107 HydrophobicContact CB-CE2 4.32Å; A103-F107 WeakPolarHBondContact O-CD2 3.5Å; A103-F107 PolarHBondContact O-N 2.83Å
104T97.3Very high96.9Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-59.1-28.9177.860.20000112.9F93 F101 A102 F107 R108 L124 R145F93-T104 HydrophobicContact CB-CG2 3.9Å; F93-T104 HydrophobicContact CD1-CG2 4.12Å; F93-T104 HydrophobicContact CG-CG2 4.36Å; F101-T104 WeakPolarHBondContact O-CB 3.26Å; F101-T104 WeakPolarHBondContact O-CG2 3.46Å; F101-T104 PolarHBondContact O-N 2.82Å; F101-T104 PolarHBondContact O-OG1 3.21Å; A102-T104 PolarHBondContact O-N 3.07Å; A102-T104 VanDerWaalsContact O-N 3.12Å; T104-F107 PolarHBondContact O-N 2.89Å; T104-R108 WeakPolarHBondContact O-CB 3.42Å; T104-R108 PolarHBondContact O-N 3.48Å; T104-L124 HydrophobicContact CG2-CD1 3.92Å; T104-R145 PolarHBondContact OG1-NH1 3.49Å
105A97.6Very high96.7Very high39 Ų3947.1 Ų47.132%0.32224%0.238SC..Hα-helixtrans-63.8-45.3177.100000111.7A102 A103 F107 R108 E109 W149A102-A105 PolarHBondContact O-N 2.86Å; A103-A105 PolarHBondContact O-N 3.31Å; A105-F107 PolarHBondContact O-N 2.84Å; A105-R108 PolarHBondContact O-N 2.93Å; A105-E109 PolarHBondContact O-N 3.35Å; A105-W149 HydrophobicContact CB-CH2 4.5Å; A105-W149 HydrophobicContact CB-CZ2 4.07Å
106D94.1Very high96.6Very high108 Ų10855.9 Ų55.958%0.57828%0.279SS*.Hα-helixtrans-65.1-41.4179.2-59.2-20.4000111.3A103 E109 Q110A103-D106 PolarHBondContact O-N 3.42Å; D106-E109 PolarHBondContact O-N 2.89Å; D106-Q110 WeakPolarHBondContact O-CB 3.19Å; D106-Q110 PolarHBondContact O-N 2.92Å
107F94.2Very high96.3Very high24 Ų2456.7 Ų56.711%0.10528%0.282CS..Hα-helixtrans-60.7-45.8174.1-75.5-70000111.4V20 G21 A103 T104 A105 Q110 I111V20-F107 HydrophobicContact CB-CD1 3.99Å; V20-F107 HydrophobicContact CB-CE1 4.44Å; V20-F107 HydrophobicContact CB-CG 4.42Å; V20-F107 HydrophobicContact CG2-CB 4.26Å; V20-F107 HydrophobicContact CG2-CD1 4.45Å; V20-F107 HydrophobicContact CG2-CG 4.44Å; G21-F107 VanDerWaalsContact C-CE2 3.5Å; G21-F107 VanDerWaalsContact C-CZ 3.5Å; G21-F107 VanDerWaalsContact CA-CE2 3.46Å; A103-F107 HydrophobicContact CB-CE2 4.32Å; A103-F107 WeakPolarHBondContact O-CD2 3.5Å; A103-F107 PolarHBondContact O-N 2.83Å; T104-F107 PolarHBondContact O-N 2.89Å; A105-F107 PolarHBondContact O-N 2.84Å; F107-Q110 PolarHBondContact O-N 3.15Å; F107-I111 WeakPolarHBondContact O-CB 3.44Å; F107-I111 WeakPolarHBondContact O-CD1 3.37Å; F107-I111 VanDerWaalsContact O-CG1 3.25Å; F107-I111 WeakPolarHBondContact O-CG1 3.4Å; F107-I111 PolarHBondContact O-N 3.14Å
108R96.5Very high96.1Very high44 Ų4459.9 Ų59.917%0.16630%0.297CS..Hα-helixtrans-61.1-50.4177.5-177.9176.4179.8-80.4-1.2111T104 A105 Q110 I111 L112 F122 W149T104-R108 WeakPolarHBondContact O-CB 3.42Å; T104-R108 PolarHBondContact O-N 3.48Å; A105-R108 PolarHBondContact O-N 2.93Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.43Å; R108-I111 PolarHBondContact O-N 2.92Å; R108-L112 HydrophobicContact CG-CD1 3.97Å; R108-L112 HydrophobicContact CG-CG 4.21Å; R108-L112 VanDerWaalsContact CZ-CD1 3.49Å; R108-L112 VanDerWaalsContact NH1-CD1 3.29Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.96Å; R108-F122 HydrophobicContact CB-CE2 4.07Å; R108-F122 HydrophobicContact CB-CZ 3.9Å; R108-F122 HydrophobicContact CG-CE2 4.2Å; R108-F122 HydrophobicContact CG-CZ 4.16Å; R108-W149 HydrophobicContact CB-CH2 4.17Å; R108-W149 HydrophobicContact CB-CZ2 4.47Å; R108-W149 HydrophobicContact CB-CZ3 4.34Å; R108-W149 VanDerWaalsContact CD-CE2 3.49Å
109E95.4Very high95.8Very high130 Ų13062.1 Ų62.161%0.60731%0.311SS*.Hα-helixtrans-57-45.6179.7-173.9-177.417400111.5A105 D106 I111 L112 R113A105-E109 PolarHBondContact O-N 3.35Å; D106-E109 PolarHBondContact O-N 2.89Å; E109-I111 PolarHBondContact O-N 3.1Å; E109-L112 PolarHBondContact O-N 2.96Å; E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 PolarHBondContact O-N 3.35Å
110Q93.3Very high95.8Very high18 Ų1854.7 Ų54.78%0.08428%0.277CS..Hα-helixtrans-63-43.1178-169.5179.8-200112.1D80 F83 D106 F107 R108 R113 V114D80-Q110 PolarHBondContact OD1-NE2 3.16Å; F83-Q110 HydrophobicContact CD2-CG 4.04Å; F83-Q110 HydrophobicContact CE2-CB 4.08Å; F83-Q110 HydrophobicContact CE2-CG 3.69Å; D106-Q110 WeakPolarHBondContact O-CB 3.19Å; D106-Q110 PolarHBondContact O-N 2.92Å; F107-Q110 PolarHBondContact O-N 3.15Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.43Å; Q110-R113 PolarHBondContact O-N 2.95Å; Q110-V114 VanDerWaalsContact O-CG2 3.3Å; Q110-V114 WeakPolarHBondContact O-CG2 3.43Å; Q110-V114 PolarHBondContact O-N 3.25Å
111I95.5Very high95.8Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-60.6-50.8177.5-73.4162.1000110.4V20 F83 F89 F107 R108 E109 R113 V114 K115 V120 F122V20-I111 HydrophobicContact CG1-CD1 4.3Å; V20-I111 HydrophobicContact CG2-CD1 3.91Å; F83-I111 HydrophobicContact CD1-CG1 4.3Å; F83-I111 HydrophobicContact CD2-CG1 3.78Å; F83-I111 HydrophobicContact CE1-CG1 4.38Å; F83-I111 HydrophobicContact CE2-CG1 3.83Å; F83-I111 HydrophobicContact CG-CG1 4.02Å; F83-I111 HydrophobicContact CZ-CG1 4.15Å; F89-I111 HydrophobicContact CB-CD1 4.01Å; F89-I111 HydrophobicContact CD1-CD1 3.44Å; F89-I111 VanDerWaalsContact CD1-CD1 3.44Å; F89-I111 HydrophobicContact CD1-CG1 3.83Å; F89-I111 HydrophobicContact CD1-CG2 4.2Å; F89-I111 HydrophobicContact CD2-CG2 3.68Å; F89-I111 HydrophobicContact CE1-CD1 4.02Å; F89-I111 HydrophobicContact CE1-CG1 3.87Å; F89-I111 HydrophobicContact CE1-CG2 4.1Å; F89-I111 HydrophobicContact CE2-CG2 3.58Å; F89-I111 HydrophobicContact CG-CD1 3.72Å; F89-I111 HydrophobicContact CG-CG1 4.3Å; F89-I111 HydrophobicContact CG-CG2 4.01Å; F89-I111 HydrophobicContact CZ-CG1 4.37Å; F89-I111 HydrophobicContact CZ-CG2 3.79Å; F107-I111 WeakPolarHBondContact O-CB 3.44Å; F107-I111 WeakPolarHBondContact O-CD1 3.37Å; F107-I111 VanDerWaalsContact O-CG1 3.25Å; F107-I111 WeakPolarHBondContact O-CG1 3.4Å; F107-I111 PolarHBondContact O-N 3.14Å; R108-I111 PolarHBondContact O-N 2.92Å; E109-I111 PolarHBondContact O-N 3.1Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.92Å; I111-V114 PolarHBondContact O-N 2.98Å; I111-K115 HydrophobicContact CG2-CG 4.16Å; I111-K115 VanDerWaalsContact O-CB 3.26Å; I111-K115 WeakPolarHBondContact O-CB 3.23Å; I111-K115 VanDerWaalsContact O-CG 3.28Å; I111-K115 WeakPolarHBondContact O-CG 3.3Å; I111-K115 PolarHBondContact O-N 3.33Å; I111-V120 HydrophobicContact CG2-CG1 4Å; I111-F122 HydrophobicContact CD1-CD2 4.33Å; I111-F122 HydrophobicContact CD1-CE2 3.9Å
112L97.5Very high95.8Very high15 Ų1555.2 Ų55.28%0.07928%0.28CS..Hα-helixtrans-61-42.1-178.8-66.4-177.3000111.8R108 E109 V114 K115 E116 D117 E118 V120R108-L112 HydrophobicContact CG-CD1 3.97Å; R108-L112 HydrophobicContact CG-CG 4.21Å; R108-L112 VanDerWaalsContact CZ-CD1 3.49Å; R108-L112 VanDerWaalsContact NH1-CD1 3.29Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.96Å; E109-L112 PolarHBondContact O-N 2.96Å; L112-V114 PolarHBondContact O-N 3.04Å; L112-K115 PolarHBondContact O-N 3.25Å; L112-E116 WeakPolarHBondContact O-CA 3.36Å; L112-E116 PolarHBondContact O-N 2.93Å; L112-D117 VanDerWaalsContact CD2-O 3.25Å; L112-D117 WeakPolarHBondContact CD2-O 3.45Å; L112-E118 WeakPolarHBondContact CD1-OE2 3.17Å; L112-V120 HydrophobicContact CD2-CG1 3.79Å
113R95.6Very high95.9Very high144 Ų14452.8 Ų52.854%0.54326%0.26SS..Hα-helixtrans-60.2-45.6175.3-174.4-170.772.3-146.73.7112.3D80 E109 Q110 I111 K115D80-R113 IonicContact OD1-NH2 2.76Å; D80-R113 IonicContact OD2-NH2 3.74Å; E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 PolarHBondContact O-N 3.35Å; Q110-R113 PolarHBondContact O-N 2.95Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.92Å; R113-K115 VanDerWaalsContact C-N 3.34Å
114V95.2Very high96Very high23 Ų2351.8 Ų51.814%0.13925%0.251CS..Hα-helixtrans-72.4-31.4-179.1173.40000111.8D80 F83 R84 Q110 I111 L112D80-V114 HydrophobicContact CB-CG2 4.02Å; D80-V114 WeakPolarHBondContact O-CG1 3.49Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.41Å; F83-V114 HydrophobicContact CB-CB 4.16Å; F83-V114 HydrophobicContact CB-CG1 3.84Å; F83-V114 HydrophobicContact CD2-CG2 4.42Å; R84-V114 HydrophobicContact CB-CG1 4.1Å; Q110-V114 VanDerWaalsContact O-CG2 3.3Å; Q110-V114 WeakPolarHBondContact O-CG2 3.43Å; Q110-V114 PolarHBondContact O-N 3.25Å; I111-V114 PolarHBondContact O-N 2.98Å; L112-V114 PolarHBondContact O-N 3.04Å
115K95.6Very high96.1Very high53 Ų5351.8 Ų51.823%0.2325%0.251CS..Hα-helixtrans-81.7-26.8179.7-74.5-56.4-153.6-1730114.1F83 R84 G86 F89 I111 L112 R113 D117 V120F83-K115 WeakPolarHBondContact O-CE 3.38Å; F83-K115 PolarHBondContact O-NZ 2.85Å; R84-K115 PolarHBondContact O-NZ 2.97Å; G86-K115 WeakPolarHBondContact O-CE 3.48Å; G86-K115 PolarHBondContact O-NZ 2.96Å; F89-K115 HydrophobicContact CE2-CG 4.28Å; F89-K115 HydrophobicContact CZ-CG 4.46Å; I111-K115 HydrophobicContact CG2-CG 4.16Å; I111-K115 VanDerWaalsContact O-CB 3.26Å; I111-K115 WeakPolarHBondContact O-CB 3.23Å; I111-K115 VanDerWaalsContact O-CG 3.28Å; I111-K115 WeakPolarHBondContact O-CG 3.3Å; I111-K115 PolarHBondContact O-N 3.33Å; L112-K115 PolarHBondContact O-N 3.25Å; R113-K115 VanDerWaalsContact C-N 3.34Å; K115-D117 HydrophobicContact CB-CB 4.24Å; K115-D117 PolarHBondContact O-N 3.42Å; K115-V120 HydrophobicContact CD-CG2 4.47Å; K115-V120 HydrophobicContact CG-CB 4.42Å; K115-V120 HydrophobicContact CG-CG1 4.45Å; K115-V120 HydrophobicContact CG-CG2 4.1Å
116E95.8Very high96.1Very high183 Ų18350 Ų5086%0.85524%0.236SC*.THydrogen-bonded Turntrans53.336.8-170.2-56.5177.6-172.200111.3L112L112-E116 WeakPolarHBondContact O-CA 3.36Å; L112-E116 PolarHBondContact O-N 2.93Å
117D93.8Very high96.4Very high35 Ų3545 Ų4519%0.18721%0.209CC..  trans-149104.8-174.2179.219.9000111.4L112 K115 N119 V120 R178L112-D117 VanDerWaalsContact CD2-O 3.25Å; L112-D117 WeakPolarHBondContact CD2-O 3.45Å; K115-D117 HydrophobicContact CB-CB 4.24Å; K115-D117 PolarHBondContact O-N 3.42Å; D117-N119 PolarHBondContact O-N 3.41Å; D117-N119 PolarHBondContact OD1-N 3.18Å; D117-V120 PolarHBondContact O-N 3.47Å; D117-R178 IonicContact OD1-CZ 2.97Å; D117-R178 IonicContact OD1-NH1 2.67Å; D117-R178 PolarHBondContact OD1-NH1 3.14Å; D117-R178 VanDerWaalsContact OD1-NH1 3.11Å; D117-R178 IonicContact OD1-NH2 3.43Å; D117-R178 PolarHBondContact OD1-NH2 2.7Å; D117-R178 VanDerWaalsContact OD1-NH2 3.11Å; D117-R178 IonicContact OD2-CZ 3.46Å; D117-R178 IonicContact OD2-NH1 2.66Å; D117-R178 PolarHBondContact OD2-NH1 2.99Å; D117-R178 IonicContact OD2-NH2 2.77Å; D117-R178 PolarHBondContact OD2-NH2 3.47Å
118E93Very high96.6Very high130 Ų13045.9 Ų45.961%0.60721%0.213SC*.THydrogen-bonded Turntrans-62.3-18.9177.3-68.3-63.1146.700113.7L112L112-E118 WeakPolarHBondContact CD1-OE2 3.17Å
119N93Very high96.7Very high115 Ų11545.2 Ų45.262%0.61522%0.215SC*.THydrogen-bonded Turntrans-111.925.3-176-57.7-66.6000112.3D117 R178D117-N119 PolarHBondContact O-N 3.41Å; D117-N119 PolarHBondContact OD1-N 3.18Å; N119-R178 PolarHBondContact O-NH1 3.44Å
120V97.4Very high96.8Very high12 Ų1241.5 Ų41.57%0.07320%0.2CC..  trans-62.7136.117466.10000109.8F89 I111 L112 K115 D117 F122F89-V120 HydrophobicContact CD2-CG2 4.06Å; F89-V120 HydrophobicContact CE2-CG2 3.78Å; I111-V120 HydrophobicContact CG2-CG1 4Å; L112-V120 HydrophobicContact CD2-CG1 3.79Å; K115-V120 HydrophobicContact CD-CG2 4.47Å; K115-V120 HydrophobicContact CG-CB 4.42Å; K115-V120 HydrophobicContact CG-CG1 4.45Å; K115-V120 HydrophobicContact CG-CG2 4.1Å; D117-V120 PolarHBondContact O-N 3.47Å; V120-F122 WeakPolarHBondContact O-CB 3.25Å; V120-F122 PolarHBondContact O-N 3.19Å; V120-F122 VanDerWaalsContact O-N 3.12Å
121P98.7Very high97Very high9 Ų942.9 Ų42.96%0.05821%0.207CC..  trans-50.8119.4176.2-30.136000112.1E87 G88 F89 L171 E174 I175 R178E87-P121 WeakPolarHBondContact O-CD 3.49Å; E87-P121 WeakPolarHBondContact O-CG 3.45Å; G88-P121 CarbonylContact C-O 3.38Å; G88-P121 WeakPolarHBondContact CA-O 3.46Å; F89-P121 PolarHBondContact N-O 3.09Å; P121-L171 HydrophobicContact CB-CD1 3.85Å; P121-E174 HydrophobicContact CB-CB 3.84Å; P121-E174 HydrophobicContact CG-CB 4.29Å; P121-I175 HydrophobicContact CB-CG1 3.8Å; P121-I175 HydrophobicContact CG-CG1 4.01Å; P121-R178 HydrophobicContact CG-CB 4.18Å
122F98.8Very high97.2Very high6 Ų647.8 Ų47.83%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-151.4128-170.3-175.2-77.3000108.6F89 C91 R108 I111 V120 W149 V151 E174F89-F122 HydrophobicContact CB-CD2 3.88Å; F89-F122 HydrophobicContact CB-CE2 4.43Å; F89-F122 WeakPolarHBondContact O-CA 3.38Å; C91-F122 HydrophobicContact CB-CE1 3.75Å; C91-F122 HydrophobicContact CB-CE2 3.79Å; C91-F122 HydrophobicContact CB-CZ 3.22Å; R108-F122 HydrophobicContact CB-CE2 4.07Å; R108-F122 HydrophobicContact CB-CZ 3.9Å; R108-F122 HydrophobicContact CG-CE2 4.2Å; R108-F122 HydrophobicContact CG-CZ 4.16Å; I111-F122 HydrophobicContact CD1-CD2 4.33Å; I111-F122 HydrophobicContact CD1-CE2 3.9Å; V120-F122 WeakPolarHBondContact O-CB 3.25Å; V120-F122 PolarHBondContact O-N 3.19Å; V120-F122 VanDerWaalsContact O-N 3.12Å; F122-W149 HydrophobicContact CE1-CE3 4.03Å; F122-W149 AromaticContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CZ-CZ3 4.19Å; F122-V151 HydrophobicContact CB-CG1 4.2Å; F122-V151 HydrophobicContact CD1-CB 4.27Å; F122-V151 HydrophobicContact CD1-CG1 3.94Å; F122-V151 HydrophobicContact CD1-CG2 4.16Å; F122-V151 HydrophobicContact CG-CG1 4.48Å; F122-V151 WeakPolarHBondContact O-CB 3.47Å; F122-E174 PolarHBondContact N-OE2 3.01Å
123L98.9Very high97.2Very high0 Ų053.4 Ų53.40%026%0.26CS..EExtended strand (participates in β ladder)trans-129.9127.1179.8-166.4158.3000109.3F89 L90 C91 V125 N152 V154 V167 D170 L171F89-L123 PolarHBondContact O-N 3.41Å; L90-L123 HydrophobicContact CD2-CB 3.88Å; L90-L123 HydrophobicContact CD2-CD2 4.2Å; L90-L123 HydrophobicContact CD2-CG 4.46Å; C91-L123 PolarHBondContact N-O 3.2Å; L123-V125 HydrophobicContact CD2-CG2 3.39Å; L123-N152 HydrophobicContact CD1-CB 4.17Å; L123-N152 HydrophobicContact CG-CB 4Å; L123-V154 HydrophobicContact CD2-CB 4.31Å; L123-V154 HydrophobicContact CD2-CG2 4.21Å; L123-V167 HydrophobicContact CD2-CB 4.3Å; L123-V167 HydrophobicContact CD2-CG1 4Å; L123-D170 HydrophobicContact CD1-CB 3.91Å; L123-L171 HydrophobicContact CB-CD1 4.38Å
124L98.9Very high97.4Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-84.5124.3177.5-177.863.5000109.6F93 F101 T104 R145 A146 W149 V151 N152 Y153 V154F93-L124 HydrophobicContact CD1-CD1 3.87Å; F93-L124 HydrophobicContact CD1-CG 4.41Å; F93-L124 HydrophobicContact CE1-CD1 3.93Å; F93-L124 HydrophobicContact CE1-CD2 4.44Å; F93-L124 HydrophobicContact CE1-CG 3.98Å; F101-L124 HydrophobicContact CE2-CD2 4.27Å; T104-L124 HydrophobicContact CG2-CD1 3.92Å; L124-R145 HydrophobicContact CD2-CG 4.45Å; L124-A146 HydrophobicContact CD2-CB 4.16Å; L124-W149 HydrophobicContact CD1-CZ3 4.22Å; L124-W149 HydrophobicContact CD2-CZ3 4.46Å; L124-V151 HydrophobicContact CB-CG2 4.47Å; L124-N152 PolarHBondContact N-O 2.66Å; L124-Y153 HydrophobicContact CB-CD2 4.29Å; L124-Y153 HydrophobicContact CD2-CD2 4.14Å; L124-Y153 HydrophobicContact CG-CD2 3.99Å; L124-Y153 WeakPolarHBondContact O-CA 3.42Å; L124-Y153 WeakPolarHBondContact O-CD2 3.48Å; L124-V154 PolarHBondContact O-N 2.96Å; L124-V154 VanDerWaalsContact O-N 3.11Å
125V99Very high97.5Very high0 Ų053.6 Ų53.60%026%0.262CS..EExtended strand (participates in β ladder)trans-121.5115.7-173.1-177.80000110.7L30 L90 C91 V92 F93 L123 V154 T156 V167L30-V125 HydrophobicContact CD1-CG1 4.18Å; L90-V125 HydrophobicContact CB-CG2 4.45Å; L90-V125 HydrophobicContact CD2-CG2 4.06Å; C91-V125 PolarHBondContact O-N 3.44Å; V92-V125 WeakPolarHBondContact CA-O 3.26Å; V92-V125 HydrophobicContact CG1-CG1 4.39Å; V92-V125 HydrophobicContact CG2-CB 4.21Å; F93-V125 WeakPolarHBondContact CD1-O 3.25Å; F93-V125 PolarHBondContact N-O 3.41Å; L123-V125 HydrophobicContact CD2-CG2 3.39Å; V125-V154 WeakPolarHBondContact CA-O 3.45Å; V125-T156 HydrophobicContact CG1-CG2 3.75Å; V125-T156 VanDerWaalsContact CG1-OG1 3.26Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.29Å; V125-V167 HydrophobicContact CG1-CG1 4.42Å; V125-V167 HydrophobicContact CG2-CB 4.26Å; V125-V167 HydrophobicContact CG2-CG1 4.02Å
126G98.9Very high97.7Very high0 Ų056.7 Ų56.70%028%0.277CS..EExtended strand (participates in β ladder)trans-90.5102.2169.400000110.3F93 V154 E155 T156F93-G126 VanDerWaalsContact CZ-CA 3.47Å; G126-V154 PolarHBondContact N-O 2.72Å; G126-V154 VanDerWaalsContact N-O 3.08Å; G126-E155 CarbonylContact O-C 3.45Å; G126-E155 WeakPolarHBondContact O-CA 3.19Å; G126-T156 PolarHBondContact O-N 3.34Å
127N98.9Very high97.8Very high4 Ų448 Ų482%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-90.3170.5-179.8-170.633.4000112.3V25 L30 V92 F93 I95 T156 A158V25-N127 PolarHBondContact O-ND2 2.92Å; L30-N127 HydrophobicContact CD1-CB 4.25Å; V92-N127 HydrophobicContact CG1-CB 3.81Å; F93-N127 PolarHBondContact O-N 2.8Å; I95-N127 WeakPolarHBondContact CG1-O 3.34Å; I95-N127 PolarHBondContact N-O 2.84Å; N127-T156 CarbonylContact C-O 3.54Å; N127-T156 VanDerWaalsContact CA-O 3.28Å; N127-T156 WeakPolarHBondContact CA-O 3.25Å; N127-T156 WeakPolarHBondContact CA-OG1 3.31Å; N127-T156 PolarHBondContact OD1-O 3.28Å; N127-T156 PolarHBondContact OD1-OG1 3.45Å; N127-A158 PolarHBondContact OD1-N 3.44Å
128K98.5Very high98.1Very high43 Ų4348.7 Ų48.719%0.18724%0.244CC..  trans67.835.1-177-45.5-169.6-160.5168.60113.2G24 S94 I95 T96 E97 D130 L131 T156G24-K128 WeakPolarHBondContact O-CE 3.44Å; G24-K128 PolarHBondContact O-NZ 3.41Å; S94-K128 WeakPolarHBondContact OG-CD 3.47Å; S94-K128 WeakPolarHBondContact OG-CE 3.15Å; I95-K128 WeakPolarHBondContact CG1-O 3.38Å; T96-K128 HydrophobicContact CG2-CB 4.49Å; E97-K128 IonicContact OE1-NZ 3.42Å; E97-K128 PolarHBondContact OE1-NZ 2.81Å; K128-D130 PolarHBondContact O-N 3.41Å; K128-D130 VanDerWaalsContact O-N 3.14Å; K128-L131 HydrophobicContact CB-CD1 4.14Å; K128-L131 HydrophobicContact CB-CG 4.41Å; K128-L131 HydrophobicContact CD-CD1 4.15Å; K128-L131 WeakPolarHBondContact O-CB 3.36Å; K128-L131 PolarHBondContact O-N 3.26Å; K128-T156 PolarHBondContact N-O 3.47Å
129S98.8Very high98.3Very high29 Ų2945 Ų4520%0.20323%0.23CC..THydrogen-bonded Turntrans-64.3-12.2176.666.10000114.6L131 T156S129-L131 PolarHBondContact O-N 3.24Å; S129-T156 WeakPolarHBondContact CB-O 3.43Å; S129-T156 PolarHBondContact N-O 3.03Å; S129-T156 VanDerWaalsContact OG-C 3.26Å; S129-T156 PolarHBondContact OG-O 3.25Å; S129-T156 VanDerWaalsContact OG-O 3.07Å
130D98.4Very high98.6Very high53 Ų5346.1 Ų46.128%0.28323%0.232SC..THydrogen-bonded Turntrans-69.9-16.4168.657.5-71000113.6K128 S157 K159 T160K128-D130 PolarHBondContact O-N 3.41Å; K128-D130 VanDerWaalsContact O-N 3.14Å; D130-S157 WeakPolarHBondContact CB-OG 3.38Å; D130-S157 VanDerWaalsContact CG-OG 3.23Å; D130-S157 VanDerWaalsContact OD1-CB 3.31Å; D130-S157 WeakPolarHBondContact OD1-CB 3.37Å; D130-S157 PolarHBondContact OD1-OG 2.86Å; D130-K159 WeakPolarHBondContact OD2-CD 3.35Å; D130-T160 HydrophobicContact CB-CG2 3.93Å
131L98.1Very high98.7Very high47 Ų4749 Ų4925%0.24625%0.245CC..  trans-101.345.4179.4-57.3-178.6000111.9T96 K128 S129 D133 K134 R135T96-L131 HydrophobicContact CG2-CB 3.68Å; T96-L131 HydrophobicContact CG2-CD1 4.14Å; K128-L131 HydrophobicContact CB-CD1 4.14Å; K128-L131 HydrophobicContact CB-CG 4.41Å; K128-L131 HydrophobicContact CD-CD1 4.15Å; K128-L131 WeakPolarHBondContact O-CB 3.36Å; K128-L131 PolarHBondContact O-N 3.26Å; S129-L131 PolarHBondContact O-N 3.24Å; L131-D133 PolarHBondContact O-N 2.88Å; L131-K134 HydrophobicContact CB-CB 4.4Å; L131-K134 WeakPolarHBondContact O-CA 3.42Å; L131-K134 PolarHBondContact O-N 3.41Å; L131-R135 PolarHBondContact O-N 3.34Å
132E98.3Very high98.7Very high102 Ų10248.6 Ų48.648%0.47724%0.242SC..G310 helixtrans-57-35.2-176.5-17260.4-151.200112.8K134 R135E132-K134 PolarHBondContact O-N 2.99Å; E132-K134 VanDerWaalsContact O-N 3.15Å; E132-R135 VanDerWaalsContact CD-NE 3.25Å; E132-R135 VanDerWaalsContact O-CB 3.29Å; E132-R135 WeakPolarHBondContact O-CB 3.1Å; E132-R135 PolarHBondContact O-N 3.43Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E132-R135 WeakPolarHBondContact OE1-CD 3.48Å; E132-R135 IonicContact OE1-CZ 3.37Å; E132-R135 IonicContact OE1-NE 2.92Å; E132-R135 PolarHBondContact OE1-NE 2.53Å; E132-R135 IonicContact OE1-NH2 2.89Å; E132-R135 IonicContact OE2-CZ 3.67Å; E132-R135 VanDerWaalsContact OE2-CZ 3.29Å; E132-R135 IonicContact OE2-NE 2.8Å; E132-R135 PolarHBondContact OE2-NE 2.95Å; E132-R135 IonicContact OE2-NH2 3.68Å; E132-R135 PolarHBondContact OE2-NH2 2.98Å
133D98.4Very high98.7Very high133 Ų13353.2 Ų53.271%0.71126%0.262SS*.G310 helixtrans-62.1-19.3175.764.3-51.3000113.5L131L131-D133 PolarHBondContact O-N 2.88Å
134K98.6Very high98.7Very high121 Ų12156.3 Ų56.353%0.52628%0.278SS..G310 helixtrans-1098.8179-59.9179.1-176.4175.80113T96 L131 E132 Q136T96-K134 WeakPolarHBondContact CA-O 3.28Å; T96-K134 WeakPolarHBondContact CB-O 3.16Å; T96-K134 HydrophobicContact CG2-CB 3.85Å; L131-K134 HydrophobicContact CB-CB 4.4Å; L131-K134 WeakPolarHBondContact O-CA 3.42Å; L131-K134 PolarHBondContact O-N 3.41Å; E132-K134 PolarHBondContact O-N 2.99Å; E132-K134 VanDerWaalsContact O-N 3.15Å; K134-Q136 PolarHBondContact O-N 3.29Å
135R98.7Very high98.6Very high51 Ų5158.6 Ų58.619%0.19229%0.287CS..  trans-57.4128.7-179180-178.6-70.4-87.54.4110.9I95 L131 E132 V137 E155I95-R135 HydrophobicContact CD1-CB 4.31Å; I95-R135 HydrophobicContact CD1-CG 4.36Å; I95-R135 VanDerWaalsContact CD1-CZ 3.49Å; L131-R135 PolarHBondContact O-N 3.34Å; E132-R135 VanDerWaalsContact CD-NE 3.25Å; E132-R135 VanDerWaalsContact O-CB 3.29Å; E132-R135 WeakPolarHBondContact O-CB 3.1Å; E132-R135 PolarHBondContact O-N 3.43Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E132-R135 WeakPolarHBondContact OE1-CD 3.48Å; E132-R135 IonicContact OE1-CZ 3.37Å; E132-R135 IonicContact OE1-NE 2.92Å; E132-R135 PolarHBondContact OE1-NE 2.53Å; E132-R135 IonicContact OE1-NH2 2.89Å; E132-R135 IonicContact OE2-CZ 3.67Å; E132-R135 VanDerWaalsContact OE2-CZ 3.29Å; E132-R135 IonicContact OE2-NE 2.8Å; E132-R135 PolarHBondContact OE2-NE 2.95Å; E132-R135 IonicContact OE2-NH2 3.68Å; E132-R135 PolarHBondContact OE2-NH2 2.98Å; R135-V137 VanDerWaalsContact CD-O 3.28Å; R135-V137 WeakPolarHBondContact CD-O 3.42Å; R135-V137 WeakPolarHBondContact CG-O 3.2Å; R135-V137 PolarHBondContact NH1-O 2.85Å; R135-E155 IonicContact CZ-OE1 3.29Å; R135-E155 IonicContact CZ-OE2 3.5Å; R135-E155 IonicContact NH1-OE1 3.04Å; R135-E155 PolarHBondContact NH1-OE1 3.43Å; R135-E155 IonicContact NH1-OE2 2.75Å; R135-E155 IonicContact NH2-OE1 2.7Å; R135-E155 PolarHBondContact NH2-OE1 3.22Å; R135-E155 IonicContact NH2-OE2 3.39Å; R135-E155 PolarHBondContact NH2-OE2 2.99Å
136Q98.8Very high98.6Very high117 Ų11758.7 Ų58.755%0.54729%0.288SS..  trans-112.3-27.3171.5-64.7-175.2-3.800112I95 T96 M98 K134I95-Q136 PolarHBondContact O-N 2.94Å; T96-Q136 WeakPolarHBondContact O-CG 3.28Å; T96-Q136 PolarHBondContact O-NE2 3.45Å; T96-Q136 PolarHBondContact O-OE1 2.77Å; M98-Q136 HydrophobicContact CB-CB 4.42Å; M98-Q136 WeakPolarHBondContact CE-O 3.04Å; M98-Q136 VanDerWaalsContact N-OE1 3.1Å; K134-Q136 PolarHBondContact O-N 3.29Å
137V98.8Very high98.6Very high0 Ų065.3 Ų65.30%032%0.319CS..SBendtrans-102.6116.6179.3-173.80000109F93 I95 M98 F101 R135 A142F93-V137 HydrophobicContact CD2-CG2 4.38Å; F93-V137 HydrophobicContact CE2-CB 4Å; F93-V137 HydrophobicContact CE2-CG1 3.81Å; F93-V137 HydrophobicContact CE2-CG2 4.14Å; F93-V137 HydrophobicContact CZ-CG1 4.29Å; I95-V137 PolarHBondContact O-N 2.9Å; M98-V137 HydrophobicContact CE-CG2 4.46Å; M98-V137 HydrophobicContact SD-CG2 4.02Å; F101-V137 HydrophobicContact CB-CG1 4.25Å; F101-V137 HydrophobicContact CB-CG2 3.66Å; F101-V137 HydrophobicContact CD1-CG1 3.81Å; F101-V137 HydrophobicContact CD1-CG2 4.37Å; F101-V137 HydrophobicContact CD2-CG1 4.08Å; F101-V137 HydrophobicContact CE1-CG1 4.11Å; F101-V137 HydrophobicContact CE2-CG1 4.35Å; F101-V137 HydrophobicContact CG-CG1 3.79Å; F101-V137 HydrophobicContact CG-CG2 4.13Å; F101-V137 HydrophobicContact CZ-CG1 4.36Å; R135-V137 VanDerWaalsContact CD-O 3.28Å; R135-V137 WeakPolarHBondContact CD-O 3.42Å; R135-V137 WeakPolarHBondContact CG-O 3.2Å; R135-V137 PolarHBondContact NH1-O 2.85Å; V137-A142 HydrophobicContact CG1-CB 4.28Å
138S98.6Very high98.6Very high51 Ų5172.6 Ų72.636%0.35735%0.353SS..  trans-69.7150.7178.275.50000111.6E140 E141 A142S138-E140 PolarHBondContact O-N 2.75Å; S138-E141 PolarHBondContact O-N 3.21Å; S138-E141 VanDerWaalsContact OG-CB 3.25Å; S138-E141 WeakPolarHBondContact OG-CB 3.38Å; S138-E141 PolarHBondContact OG-N 2.92Å; S138-E141 VanDerWaalsContact OG-N 3.07Å; S138-A142 PolarHBondContact O-N 2.94Å
139V98.7Very high98.6Very high52 Ų5272.4 Ų72.432%0.31535%0.351SS..Hα-helixtrans-57.3-39.2174.7179.50000110.8K143 Y153 E155V139-K143 HydrophobicContact CG1-CD 3.93Å; V139-K143 HydrophobicContact CG1-CG 4.35Å; V139-K143 WeakPolarHBondContact O-CB 3.36Å; V139-K143 VanDerWaalsContact O-CG 3.25Å; V139-K143 WeakPolarHBondContact O-CG 3.39Å; V139-K143 PolarHBondContact O-N 3.12Å; V139-Y153 HydrophobicContact CG1-CE1 4.47Å; V139-E155 WeakPolarHBondContact CG2-OE1 3.31Å
140E98.6Very high98.5Very high138 Ų13877.7 Ų77.765%0.64538%0.377SS*.Hα-helixtrans-65.7-44.8-179.6-174177.3174.200111.7S138 A142 K143 N144S138-E140 PolarHBondContact O-N 2.75Å; E140-A142 PolarHBondContact O-N 2.96Å; E140-K143 PolarHBondContact O-N 2.76Å; E140-N144 WeakPolarHBondContact O-CB 3.02Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.96Å
141E98.5Very high98.5Very high73 Ų7376.6 Ų76.634%0.34137%0.372SS..Hα-helixtrans-62-43.9178.9-169.7-178.8144.800112.1M98 F101 S138 N144 R145M98-E141 WeakPolarHBondContact CE-OE1 3.44Å; F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 VanDerWaalsContact CE1-OE1 3.23Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.39Å; F101-E141 HydrophobicContact CZ-CG 4.27Å; S138-E141 PolarHBondContact O-N 3.21Å; S138-E141 VanDerWaalsContact OG-CB 3.25Å; S138-E141 WeakPolarHBondContact OG-CB 3.38Å; S138-E141 PolarHBondContact OG-N 2.92Å; S138-E141 VanDerWaalsContact OG-N 3.07Å; E141-N144 PolarHBondContact O-N 3Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 VanDerWaalsContact O-N 3.15Å
142A98.8Very high98.5Very high0 Ų078.4 Ų78.40%038%0.382CS..Hα-helixtrans-68.5-39177.200000112.8F93 F101 V137 S138 E140 R145 A146 Y153F93-A142 HydrophobicContact CE1-CB 4.49Å; F93-A142 HydrophobicContact CZ-CB 3.85Å; F101-A142 HydrophobicContact CE2-CB 3.92Å; F101-A142 HydrophobicContact CZ-CB 4.25Å; V137-A142 HydrophobicContact CG1-CB 4.28Å; S138-A142 PolarHBondContact O-N 2.94Å; E140-A142 PolarHBondContact O-N 2.96Å; A142-R145 PolarHBondContact O-N 3.38Å; A142-A146 PolarHBondContact O-N 3.49Å; A142-A146 VanDerWaalsContact O-N 3.08Å; A142-Y153 HydrophobicContact CB-CD1 4.31Å; A142-Y153 HydrophobicContact CB-CD2 4.17Å; A142-Y153 HydrophobicContact CB-CE1 3.73Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.49Å; A142-Y153 WeakPolarHBondContact CB-OH 3.5Å
143K98.8Very high98.6Very high104 Ų10475.3 Ų75.345%0.45237%0.366SS..Hα-helixtrans-62.5-47.3173-78.9178.5179177.50112V139 E140 R145 A146 E147 Y153V139-K143 HydrophobicContact CG1-CD 3.93Å; V139-K143 HydrophobicContact CG1-CG 4.35Å; V139-K143 WeakPolarHBondContact O-CB 3.36Å; V139-K143 VanDerWaalsContact O-CG 3.25Å; V139-K143 WeakPolarHBondContact O-CG 3.39Å; V139-K143 PolarHBondContact O-N 3.12Å; E140-K143 PolarHBondContact O-N 2.76Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 PolarHBondContact O-N 3.43Å; K143-A146 PolarHBondContact O-N 2.99Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 3.36Å; K143-Y153 HydrophobicContact CG-CD1 3.64Å; K143-Y153 HydrophobicContact CG-CE1 4.2Å
144N98.8Very high98.6Very high64 Ų6469.5 Ų69.534%0.34234%0.335SS..Hα-helixtrans-57.7-40.6178.9-72.7-17.1000111.3E140 E141 Q148E140-N144 WeakPolarHBondContact O-CB 3.02Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.96Å; E141-N144 PolarHBondContact O-N 3Å; N144-Q148 WeakPolarHBondContact O-CB 3.32Å; N144-Q148 WeakPolarHBondContact O-CG 3.34Å; N144-Q148 PolarHBondContact O-N 2.89Å
145R98.7Very high98.6Very high48 Ų4865.3 Ų65.318%0.18132%0.318CS..Hα-helixtrans-65.2-44.9174.6-177.9173.2-67.5173.15.5112.4F101 T104 L124 E141 A142 K143 E147 Q148 W149F101-R145 HydrophobicContact CE2-CB 4.43Å; F101-R145 HydrophobicContact CZ-CB 3.97Å; F101-R145 HydrophobicContact CZ-CG 4.47Å; F101-R145 PolarHBondContact O-NH1 3.27Å; T104-R145 PolarHBondContact OG1-NH1 3.49Å; L124-R145 HydrophobicContact CD2-CG 4.45Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 VanDerWaalsContact O-N 3.15Å; A142-R145 PolarHBondContact O-N 3.38Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 PolarHBondContact O-N 3.43Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-E147 PolarHBondContact O-N 3.46Å; R145-Q148 PolarHBondContact O-N 2.84Å; R145-W149 HydrophobicContact CG-CD2 3.82Å; R145-W149 HydrophobicContact CG-CE3 4.02Å; R145-W149 HydrophobicContact CG-CH2 3.94Å; R145-W149 HydrophobicContact CG-CZ2 3.69Å; R145-W149 HydrophobicContact CG-CZ3 4.09Å; R145-W149 WeakPolarHBondContact O-CB 3.27Å; R145-W149 VanDerWaalsContact O-CG 3.3Å; R145-W149 PolarHBondContact O-N 3.23Å
146A98.8Very high98.6Very high3 Ų362.9 Ų62.93%0.02531%0.309CS..Hα-helixtrans-63.7-39.4178.700000112.2L124 A142 K143 W149 N150 V151L124-A146 HydrophobicContact CD2-CB 4.16Å; A142-A146 PolarHBondContact O-N 3.49Å; A142-A146 VanDerWaalsContact O-N 3.08Å; K143-A146 PolarHBondContact O-N 2.99Å; A146-W149 CarbonylContact O-C 3.53Å; A146-W149 PolarHBondContact O-N 3.46Å; A146-N150 PolarHBondContact O-N 3.02Å; A146-V151 HydrophobicContact CB-CG2 4.06Å; A146-V151 WeakPolarHBondContact CB-O 3.09Å; A146-V151 PolarHBondContact O-N 3.46Å
147E98.6Very high98.6Very high139 Ų13957.3 Ų57.365%0.6528%0.283SS*.Hα-helixtrans-62.6-45.6173-72.6176.5-169.300111.9K143 R145 W149 N150K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 3.36Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-E147 PolarHBondContact O-N 3.46Å; E147-W149 PolarHBondContact O-N 2.99Å; E147-N150 PolarHBondContact O-N 3.43Å
148Q98.3Very high98.6Very high156 Ų15657.4 Ų57.473%0.72928%0.284SS*.Hα-helixtrans-59.3-35.1174.8-74167.129.400112.5N144 R145 N150N144-Q148 WeakPolarHBondContact O-CB 3.32Å; N144-Q148 WeakPolarHBondContact O-CG 3.34Å; N144-Q148 PolarHBondContact O-N 2.89Å; R145-Q148 PolarHBondContact O-N 2.84Å; Q148-N150 VanDerWaalsContact C-N 3.33Å
149W98.2Very high98.5Very high39 Ų3960 Ų6015%0.14829%0.288CS..Hα-helixtrans-85.5-6.5177.6-67.6-6.3000113.7A105 R108 F122 L124 R145 A146 E147 V151A105-W149 HydrophobicContact CB-CH2 4.5Å; A105-W149 HydrophobicContact CB-CZ2 4.07Å; R108-W149 HydrophobicContact CB-CH2 4.17Å; R108-W149 HydrophobicContact CB-CZ2 4.47Å; R108-W149 HydrophobicContact CB-CZ3 4.34Å; R108-W149 VanDerWaalsContact CD-CE2 3.49Å; F122-W149 HydrophobicContact CE1-CE3 4.03Å; F122-W149 AromaticContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CZ-CZ3 4.19Å; L124-W149 HydrophobicContact CD1-CZ3 4.22Å; L124-W149 HydrophobicContact CD2-CZ3 4.46Å; R145-W149 HydrophobicContact CG-CD2 3.82Å; R145-W149 HydrophobicContact CG-CE3 4.02Å; R145-W149 HydrophobicContact CG-CH2 3.94Å; R145-W149 HydrophobicContact CG-CZ2 3.69Å; R145-W149 HydrophobicContact CG-CZ3 4.09Å; R145-W149 WeakPolarHBondContact O-CB 3.27Å; R145-W149 VanDerWaalsContact O-CG 3.3Å; R145-W149 PolarHBondContact O-N 3.23Å; A146-W149 CarbonylContact O-C 3.53Å; A146-W149 PolarHBondContact O-N 3.46Å; E147-W149 PolarHBondContact O-N 2.99Å; W149-V151 VanDerWaalsContact C-N 3.31Å; W149-V151 HydrophobicContact CB-CG1 4.28Å; W149-V151 HydrophobicContact CB-CG2 3.86Å; W149-V151 HydrophobicContact CE3-CG2 4.29Å; W149-V151 PolarHBondContact O-N 2.77Å
150N97.7Very high98.5Very high141 Ų14161.7 Ų61.775%0.75430%0.299SS*.THydrogen-bonded Turntrans5346.4-172.3-170.450.1000112.7A146 E147 Q148A146-N150 PolarHBondContact O-N 3.02Å; E147-N150 PolarHBondContact O-N 3.43Å; Q148-N150 VanDerWaalsContact C-N 3.33Å
151V98.6Very high98.5Very high30 Ų3058.3 Ų58.318%0.18228%0.28CS..  trans-127.2163.5178.6-59.90000111.3F122 L124 A146 W149F122-V151 HydrophobicContact CB-CG1 4.2Å; F122-V151 HydrophobicContact CD1-CB 4.27Å; F122-V151 HydrophobicContact CD1-CG1 3.94Å; F122-V151 HydrophobicContact CD1-CG2 4.16Å; F122-V151 HydrophobicContact CG-CG1 4.48Å; F122-V151 WeakPolarHBondContact O-CB 3.47Å; L124-V151 HydrophobicContact CB-CG2 4.47Å; A146-V151 HydrophobicContact CB-CG2 4.06Å; A146-V151 WeakPolarHBondContact CB-O 3.09Å; A146-V151 PolarHBondContact O-N 3.46Å; W149-V151 VanDerWaalsContact C-N 3.31Å; W149-V151 HydrophobicContact CB-CG1 4.28Å; W149-V151 HydrophobicContact CB-CG2 3.86Å; W149-V151 HydrophobicContact CE3-CG2 4.29Å; W149-V151 PolarHBondContact O-N 2.77Å
152N98.2Very high98.5Very high84 Ų8456.5 Ų56.545%0.44928%0.278SS..EExtended strand (participates in β ladder)trans-75.3143.5174.4-74.1-49.5000111.8L123 L124 E174L123-N152 HydrophobicContact CD1-CB 4.17Å; L123-N152 HydrophobicContact CG-CB 4Å; L124-N152 PolarHBondContact N-O 2.66Å; N152-E174 PolarHBondContact ND2-OE1 3.27Å
153Y98.8Very high98.5Very high38 Ų3860.1 Ų60.115%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-116.7133.4168.9174.5-120.1000111.1F93 L124 V139 A142 K143 E155F93-Y153 AromaticContact CE1-CE2 3.8Å; F93-Y153 HydrophobicContact CE1-CE2 3.8Å; F93-Y153 AromaticContact CZ-CE2 3.77Å; F93-Y153 HydrophobicContact CZ-CE2 3.77Å; L124-Y153 HydrophobicContact CB-CD2 4.29Å; L124-Y153 HydrophobicContact CD2-CD2 4.14Å; L124-Y153 HydrophobicContact CG-CD2 3.99Å; L124-Y153 WeakPolarHBondContact O-CA 3.42Å; L124-Y153 WeakPolarHBondContact O-CD2 3.48Å; V139-Y153 HydrophobicContact CG1-CE1 4.47Å; A142-Y153 HydrophobicContact CB-CD1 4.31Å; A142-Y153 HydrophobicContact CB-CD2 4.17Å; A142-Y153 HydrophobicContact CB-CE1 3.73Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.49Å; A142-Y153 WeakPolarHBondContact CB-OH 3.5Å; K143-Y153 HydrophobicContact CG-CD1 3.64Å; K143-Y153 HydrophobicContact CG-CE1 4.2Å; Y153-E155 HydrophobicContact CE1-CG 3.82Å; Y153-E155 HydrophobicContact CE2-CG 4.28Å; Y153-E155 VanDerWaalsContact CZ-CG 3.45Å; Y153-E155 VanDerWaalsContact OH-CD 3.29Å; Y153-E155 WeakPolarHBondContact OH-CG 3.45Å; Y153-E155 PolarHBondContact OH-OE1 2.97Å
154V98.9Very high98.5Very high10 Ų1055.2 Ų55.26%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-140.8132.5175.3-177.20000109.9L123 L124 V125 G126 T156 N163 K166 V167L123-V154 HydrophobicContact CD2-CB 4.31Å; L123-V154 HydrophobicContact CD2-CG2 4.21Å; L124-V154 PolarHBondContact O-N 2.96Å; L124-V154 VanDerWaalsContact O-N 3.11Å; V125-V154 WeakPolarHBondContact CA-O 3.45Å; G126-V154 PolarHBondContact N-O 2.72Å; G126-V154 VanDerWaalsContact N-O 3.08Å; V154-T156 HydrophobicContact CG1-CG2 4.35Å; V154-N163 HydrophobicContact CG1-CB 3.7Å; V154-K166 HydrophobicContact CG1-CD 4.22Å; V154-V167 HydrophobicContact CB-CG1 3.62Å; V154-V167 HydrophobicContact CG1-CG1 3.61Å; V154-V167 HydrophobicContact CG2-CG1 4.2Å
155E98.9Very high98.5Very high34 Ų3455 Ų5516%0.15928%0.275CS..EExtended strand (participates in β ladder)trans-86.3138.4168.6-70.2-169.7173.800111.3G126 R135 V139 Y153 N163G126-E155 CarbonylContact O-C 3.45Å; G126-E155 WeakPolarHBondContact O-CA 3.19Å; R135-E155 IonicContact CZ-OE1 3.29Å; R135-E155 IonicContact CZ-OE2 3.5Å; R135-E155 IonicContact NH1-OE1 3.04Å; R135-E155 PolarHBondContact NH1-OE1 3.43Å; R135-E155 IonicContact NH1-OE2 2.75Å; R135-E155 IonicContact NH2-OE1 2.7Å; R135-E155 PolarHBondContact NH2-OE1 3.22Å; R135-E155 IonicContact NH2-OE2 3.39Å; R135-E155 PolarHBondContact NH2-OE2 2.99Å; V139-E155 WeakPolarHBondContact CG2-OE1 3.31Å; Y153-E155 HydrophobicContact CE1-CG 3.82Å; Y153-E155 HydrophobicContact CE2-CG 4.28Å; Y153-E155 VanDerWaalsContact CZ-CG 3.45Å; Y153-E155 VanDerWaalsContact OH-CD 3.29Å; Y153-E155 WeakPolarHBondContact OH-CG 3.45Å; Y153-E155 PolarHBondContact OH-OE1 2.97Å; E155-N163 VanDerWaalsContact O-CB 3.28Å; E155-N163 WeakPolarHBondContact O-CB 3.49Å; E155-N163 PolarHBondContact O-ND2 2.91Å
156T98.9Very high98.5Very high0 Ų057 Ų570%029%0.285CS..  trans-130.8157.4-177.257.70000111.2V125 G126 N127 K128 S129 V154 A162 N163 V167V125-T156 HydrophobicContact CG1-CG2 3.75Å; V125-T156 VanDerWaalsContact CG1-OG1 3.26Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.29Å; G126-T156 PolarHBondContact O-N 3.34Å; N127-T156 CarbonylContact C-O 3.54Å; N127-T156 VanDerWaalsContact CA-O 3.28Å; N127-T156 WeakPolarHBondContact CA-O 3.25Å; N127-T156 WeakPolarHBondContact CA-OG1 3.31Å; N127-T156 PolarHBondContact OD1-O 3.28Å; N127-T156 PolarHBondContact OD1-OG1 3.45Å; K128-T156 PolarHBondContact N-O 3.47Å; S129-T156 WeakPolarHBondContact CB-O 3.43Å; S129-T156 PolarHBondContact N-O 3.03Å; S129-T156 VanDerWaalsContact OG-C 3.26Å; S129-T156 PolarHBondContact OG-O 3.25Å; S129-T156 VanDerWaalsContact OG-O 3.07Å; V154-T156 HydrophobicContact CG1-CG2 4.35Å; T156-A162 VanDerWaalsContact CA-O 3.25Å; T156-A162 WeakPolarHBondContact CA-O 3.35Å; T156-N163 HydrophobicContact CG2-CB 3.93Å; T156-V167 HydrophobicContact CG2-CB 4.46Å; T156-V167 HydrophobicContact CG2-CG1 3.52Å; T156-V167 HydrophobicContact CG2-CG2 4.05Å
157S98.7Very high98.5Very high0 Ų056.8 Ų56.80%028%0.283CS..  trans-131.2113161.4169.90000108.1D130 K159 T160 R161 A162D130-S157 WeakPolarHBondContact CB-OG 3.38Å; D130-S157 VanDerWaalsContact CG-OG 3.23Å; D130-S157 VanDerWaalsContact OD1-CB 3.31Å; D130-S157 WeakPolarHBondContact OD1-CB 3.37Å; D130-S157 PolarHBondContact OD1-OG 2.86Å; S157-K159 PolarHBondContact O-N 3.47Å; S157-K159 PolarHBondContact OG-N 3.4Å; S157-T160 WeakPolarHBondContact CB-OG1 3.37Å; S157-T160 PolarHBondContact OG-N 2.91Å; S157-T160 PolarHBondContact OG-OG1 3.18Å; S157-R161 CarbonylContact O-C 3.54Å; S157-R161 VanDerWaalsContact O-CA 3.31Å; S157-R161 WeakPolarHBondContact O-CA 3.39Å; S157-R161 PolarHBondContact O-N 3.49Å; S157-A162 PolarHBondContact N-O 2.84Å; S157-A162 PolarHBondContact O-N 3.13Å
158A98.4Very high98.5Very high2 Ų250.2 Ų50.22%0.01725%0.253CS..THydrogen-bonded Turntrans-57.8-35.1168.900000111.3A29 L30 Q33 F39 N127A29-A158 HydrophobicContact CB-CB 3.64Å; L30-A158 HydrophobicContact CD2-CB 3.91Å; L30-A158 HydrophobicContact CG-CB 4.17Å; Q33-A158 WeakPolarHBondContact CG-O 3.32Å; Q33-A158 PolarHBondContact NE2-O 2.92Å; F39-A158 HydrophobicContact CD2-CB 4.09Å; F39-A158 HydrophobicContact CE2-CB 4.12Å; N127-A158 PolarHBondContact OD1-N 3.44Å
159K97.6Very high98.5Very high104 Ų10444.9 Ų44.945%0.45223%0.227SC..THydrogen-bonded Turntrans-66.2-45.1-178.5-174173.3-171.91710113F39 D130 S157F39-K159 HydrophobicContact CD1-CB 4.34Å; F39-K159 HydrophobicContact CD1-CG 4.08Å; F39-K159 HydrophobicContact CD2-CB 4.41Å; F39-K159 HydrophobicContact CE1-CB 3.93Å; F39-K159 HydrophobicContact CE1-CD 4.16Å; F39-K159 HydrophobicContact CE1-CG 3.7Å; F39-K159 HydrophobicContact CE2-CB 4.04Å; F39-K159 HydrophobicContact CZ-CB 3.79Å; F39-K159 HydrophobicContact CZ-CD 4.45Å; F39-K159 HydrophobicContact CZ-CG 4.06Å; D130-K159 WeakPolarHBondContact OD2-CD 3.35Å; S157-K159 PolarHBondContact O-N 3.47Å; S157-K159 PolarHBondContact OG-N 3.4Å
160T98Very high98.6Very high89 Ų8944.7 Ų44.755%0.54623%0.229SC..THydrogen-bonded Turntrans-99.43-176.866.30000113.5D130 S157 A162D130-T160 HydrophobicContact CB-CG2 3.93Å; S157-T160 WeakPolarHBondContact CB-OG1 3.37Å; S157-T160 PolarHBondContact OG-N 2.91Å; S157-T160 PolarHBondContact OG-OG1 3.18Å; T160-A162 PolarHBondContact O-N 3.32Å; T160-A162 VanDerWaalsContact O-N 3.16Å; T160-A162 WeakPolarHBondContact OG1-CB 3.29Å
161R97.9Very high98.6Very high66 Ų6638 Ų3825%0.24919%0.193CC..  trans62.18.4-171.2-157.3-177.2-17978.313.5114.2Q33 D37 S157 N163 V164 D165Q33-R161 HydrophobicContact CG-CB 4.4Å; Q33-R161 HydrophobicContact CG-CG 4.07Å; Q33-R161 PolarHBondContact O-NH1 2.67Å; Q33-R161 PolarHBondContact O-NH2 2.95Å; D37-R161 IonicContact OD1-CZ 3.82Å; D37-R161 IonicContact OD1-NE 3.11Å; D37-R161 IonicContact OD1-NH1 3.59Å; D37-R161 PolarHBondContact OD1-NH1 3.21Å; S157-R161 CarbonylContact O-C 3.54Å; S157-R161 VanDerWaalsContact O-CA 3.31Å; S157-R161 WeakPolarHBondContact O-CA 3.39Å; S157-R161 PolarHBondContact O-N 3.49Å; R161-N163 PolarHBondContact O-N 3.11Å; R161-N163 VanDerWaalsContact O-N 3.12Å; R161-V164 HydrophobicContact CG-CB 4.17Å; R161-V164 HydrophobicContact CG-CG2 4.34Å; R161-V164 PolarHBondContact O-N 3.48Å; R161-D165 IonicContact CZ-OD1 3.06Å; R161-D165 IonicContact CZ-OD2 3.5Å; R161-D165 IonicContact NE-OD1 3.88Å; R161-D165 IonicContact NE-OD2 3.11Å; R161-D165 PolarHBondContact NE-OD2 2.97Å; R161-D165 IonicContact NH2-OD1 2.98Å; R161-D165 PolarHBondContact NH2-OD1 2.86Å; R161-D165 IonicContact NH2-OD2 2.77Å; R161-D165 PolarHBondContact NH2-OD2 2.81Å
162A98.8Very high98.6Very high35 Ų3536.5 Ų36.529%0.28918%0.184SC..THydrogen-bonded Turntrans-58121.8179.900000110.9T156 S157 T160 V164T156-A162 VanDerWaalsContact CA-O 3.25Å; T156-A162 WeakPolarHBondContact CA-O 3.35Å; S157-A162 PolarHBondContact N-O 2.84Å; S157-A162 PolarHBondContact O-N 3.13Å; T160-A162 PolarHBondContact O-N 3.32Å; T160-A162 VanDerWaalsContact O-N 3.16Å; T160-A162 WeakPolarHBondContact OG1-CB 3.29Å; A162-V164 PolarHBondContact O-N 2.92Å
163N98.8Very high98.6Very high77 Ų7737.1 Ų37.141%0.41218%0.18SC..THydrogen-bonded Turntrans56.113.3179.3-61.2-42000116.4V154 E155 T156 R161 K166 V167V154-N163 HydrophobicContact CG1-CB 3.7Å; E155-N163 VanDerWaalsContact O-CB 3.28Å; E155-N163 WeakPolarHBondContact O-CB 3.49Å; E155-N163 PolarHBondContact O-ND2 2.91Å; T156-N163 HydrophobicContact CG2-CB 3.93Å; R161-N163 PolarHBondContact O-N 3.11Å; R161-N163 VanDerWaalsContact O-N 3.12Å; N163-K166 HydrophobicContact CB-CB 4.22Å; N163-K166 HydrophobicContact CB-CD 4.47Å; N163-K166 WeakPolarHBondContact O-CB 3.21Å; N163-K166 PolarHBondContact O-N 3.02Å; N163-V167 PolarHBondContact O-N 2.95Å; N163-V167 VanDerWaalsContact O-N 3.13Å
164V98.8Very high98.6Very high0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-60.8-53.8179.6173.80000110.6L30 Q33 F34 R161 A162 K166 V167 F168L30-V164 HydrophobicContact CD2-CG2 3.79Å; Q33-V164 HydrophobicContact CB-CG1 4.25Å; Q33-V164 HydrophobicContact CG-CG1 4.12Å; Q33-V164 HydrophobicContact CG-CG2 4.13Å; F34-V164 HydrophobicContact CB-CG1 3.84Å; R161-V164 HydrophobicContact CG-CB 4.17Å; R161-V164 HydrophobicContact CG-CG2 4.34Å; R161-V164 PolarHBondContact O-N 3.48Å; A162-V164 PolarHBondContact O-N 2.92Å; V164-K166 VanDerWaalsContact C-N 3.26Å; V164-K166 PolarHBondContact O-N 3.19Å; V164-V167 WeakPolarHBondContact O-CG2 3.5Å; V164-V167 PolarHBondContact O-N 3.02Å; V164-F168 HydrophobicContact CG1-CD2 4.48Å; V164-F168 HydrophobicContact CG1-CE2 4.33Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.48Å
165D98.6Very high98.6Very high60 Ų6037.2 Ų37.232%0.32118%0.181SC..Hα-helixtrans-62.4-38.6178.2-62.9-34.4000111.2F34 R161 V167 F168 F169F34-D165 WeakPolarHBondContact CD2-OD1 3.31Å; R161-D165 IonicContact CZ-OD1 3.06Å; R161-D165 IonicContact CZ-OD2 3.5Å; R161-D165 IonicContact NE-OD1 3.88Å; R161-D165 IonicContact NE-OD2 3.11Å; R161-D165 PolarHBondContact NE-OD2 2.97Å; R161-D165 IonicContact NH2-OD1 2.98Å; R161-D165 PolarHBondContact NH2-OD1 2.86Å; R161-D165 IonicContact NH2-OD2 2.77Å; R161-D165 PolarHBondContact NH2-OD2 2.81Å; D165-V167 PolarHBondContact O-N 3.25Å; D165-F168 PolarHBondContact O-N 3.17Å; D165-F169 HydrophobicContact CB-CD2 4.08Å; D165-F169 HydrophobicContact CB-CE2 4.17Å; D165-F169 WeakPolarHBondContact O-CD2 3.46Å; D165-F169 PolarHBondContact O-N 3.12Å
166K98.8Very high98.6Very high89 Ų8938.2 Ų38.239%0.38718%0.184SC..Hα-helixtrans-56.2-49.7-178.3-175.5-178-175.1-58.60111.8V154 N163 V164 F168 F169 D170V154-K166 HydrophobicContact CG1-CD 4.22Å; N163-K166 HydrophobicContact CB-CB 4.22Å; N163-K166 HydrophobicContact CB-CD 4.47Å; N163-K166 WeakPolarHBondContact O-CB 3.21Å; N163-K166 PolarHBondContact O-N 3.02Å; V164-K166 VanDerWaalsContact C-N 3.26Å; V164-K166 PolarHBondContact O-N 3.19Å; K166-F168 PolarHBondContact O-N 3.31Å; K166-F169 PolarHBondContact O-N 3.16Å; K166-D170 VanDerWaalsContact CG-OD2 3.31Å; K166-D170 WeakPolarHBondContact CG-OD2 3.25Å; K166-D170 IonicContact NZ-OD2 2.87Å; K166-D170 PolarHBondContact NZ-OD2 3.27Å; K166-D170 VanDerWaalsContact O-CB 3.25Å; K166-D170 WeakPolarHBondContact O-CB 3.28Å; K166-D170 PolarHBondContact O-N 3.3Å
167V98.9Very high98.5Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-65-38.8-176.7-65.90000112.8L90 L123 V125 V154 T156 N163 V164 D165 L171L90-V167 HydrophobicContact CD1-CG2 4.22Å; L90-V167 HydrophobicContact CD2-CB 4.25Å; L123-V167 HydrophobicContact CD2-CB 4.3Å; L123-V167 HydrophobicContact CD2-CG1 4Å; V125-V167 HydrophobicContact CG1-CG1 4.42Å; V125-V167 HydrophobicContact CG2-CB 4.26Å; V125-V167 HydrophobicContact CG2-CG1 4.02Å; V154-V167 HydrophobicContact CB-CG1 3.62Å; V154-V167 HydrophobicContact CG1-CG1 3.61Å; V154-V167 HydrophobicContact CG2-CG1 4.2Å; T156-V167 HydrophobicContact CG2-CB 4.46Å; T156-V167 HydrophobicContact CG2-CG1 3.52Å; T156-V167 HydrophobicContact CG2-CG2 4.05Å; N163-V167 PolarHBondContact O-N 2.95Å; N163-V167 VanDerWaalsContact O-N 3.13Å; V164-V167 WeakPolarHBondContact O-CG2 3.5Å; V164-V167 PolarHBondContact O-N 3.02Å; D165-V167 PolarHBondContact O-N 3.25Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 2.98Å
168F98.9Very high98.3Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-69-47.7176.7-73.5-73.6000111.4V17 M19 F34 I64 I66 L90 V164 D165 K166 M172V17-F168 HydrophobicContact CG1-CD1 4.5Å; V17-F168 HydrophobicContact CG1-CE1 4.41Å; M19-F168 HydrophobicContact CE-CZ 4.17Å; M19-F168 HydrophobicContact SD-CE1 3.8Å; M19-F168 HydrophobicContact SD-CZ 3.93Å; F34-F168 HydrophobicContact CB-CD2 3.55Å; F34-F168 HydrophobicContact CB-CE2 3.41Å; F34-F168 VanDerWaalsContact CB-CE2 3.41Å; F34-F168 HydrophobicContact CB-CG 4.45Å; F34-F168 HydrophobicContact CB-CZ 4.2Å; F34-F168 HydrophobicContact CD1-CB 4.43Å; F34-F168 HydrophobicContact CD1-CD1 4.31Å; F34-F168 AromaticContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CE2 4.21Å; F34-F168 AromaticContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD2-CB 4Å; F34-F168 AromaticContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 AromaticContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CE1-CB 4.19Å; F34-F168 HydrophobicContact CE1-CD1 4.48Å; F34-F168 HydrophobicContact CE1-CD2 4.48Å; F34-F168 HydrophobicContact CE1-CG 4.14Å; F34-F168 HydrophobicContact CE2-CB 3.73Å; F34-F168 HydrophobicContact CE2-CD2 4.18Å; F34-F168 HydrophobicContact CE2-CG 4.16Å; F34-F168 HydrophobicContact CG-CB 4.34Å; F34-F168 AromaticContact CG-CD2 3.36Å; F34-F168 HydrophobicContact CG-CD2 3.36Å; F34-F168 AromaticContact CG-CE2 3.74Å; F34-F168 HydrophobicContact CG-CE2 3.74Å; F34-F168 AromaticContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CZ 4.48Å; F34-F168 HydrophobicContact CZ-CB 3.82Å; F34-F168 HydrophobicContact CZ-CG 4.23Å; I64-F168 HydrophobicContact CD1-CB 4.44Å; I64-F168 HydrophobicContact CD1-CD1 3.88Å; I66-F168 HydrophobicContact CD1-CD1 3.83Å; I66-F168 HydrophobicContact CD1-CE1 3.4Å; I66-F168 VanDerWaalsContact CD1-CE1 3.4Å; I66-F168 HydrophobicContact CD1-CZ 3.93Å; I66-F168 HydrophobicContact CG1-CD1 4.34Å; I66-F168 HydrophobicContact CG1-CE1 3.97Å; I66-F168 HydrophobicContact CG2-CE1 4.21Å; L90-F168 HydrophobicContact CD1-CD1 3.64Å; L90-F168 HydrophobicContact CD1-CE1 3.45Å; L90-F168 VanDerWaalsContact CD1-CE1 3.45Å; L90-F168 HydrophobicContact CD1-CE2 4.39Å; L90-F168 HydrophobicContact CD1-CG 4.2Å; L90-F168 HydrophobicContact CD1-CZ 3.86Å; V164-F168 HydrophobicContact CG1-CD2 4.48Å; V164-F168 HydrophobicContact CG1-CE2 4.33Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.48Å; D165-F168 PolarHBondContact O-N 3.17Å; K166-F168 PolarHBondContact O-N 3.31Å; F168-M172 WeakPolarHBondContact O-CB 3.17Å; F168-M172 WeakPolarHBondContact O-CG 3.2Å; F168-M172 PolarHBondContact O-N 3.18Å
169F98.8Very high98.1Very high45 Ų4546.2 Ų46.220%0.19723%0.225CC..Hα-helixtrans-66.5-39.6179.7-77.4-67.1000112.8F34 V55 V56 L57 D165 K166 M172 R173F34-F169 HydrophobicContact CE2-CE2 4.09Å; V55-F169 HydrophobicContact CB-CE1 4.06Å; V55-F169 HydrophobicContact CB-CZ 4.14Å; V55-F169 HydrophobicContact CG2-CE1 4.01Å; V56-F169 WeakPolarHBondContact O-CE1 3.48Å; L57-F169 HydrophobicContact CD1-CD1 3.79Å; D165-F169 HydrophobicContact CB-CD2 4.08Å; D165-F169 HydrophobicContact CB-CE2 4.17Å; D165-F169 WeakPolarHBondContact O-CD2 3.46Å; D165-F169 PolarHBondContact O-N 3.12Å; K166-F169 PolarHBondContact O-N 3.16Å; F169-M172 PolarHBondContact O-N 2.81Å; F169-R173 WeakPolarHBondContact O-CG 3.45Å; F169-R173 PolarHBondContact O-N 2.97Å
170D98.8Very high97.9Very high34 Ų3445.6 Ų45.618%0.18223%0.225CC..Hα-helixtrans-63.2-46.7177.9-72.5-9.3000111.2L123 K166 M172 R173 E174L123-D170 HydrophobicContact CD1-CB 3.91Å; K166-D170 VanDerWaalsContact CG-OD2 3.31Å; K166-D170 WeakPolarHBondContact CG-OD2 3.25Å; K166-D170 IonicContact NZ-OD2 2.87Å; K166-D170 PolarHBondContact NZ-OD2 3.27Å; K166-D170 VanDerWaalsContact O-CB 3.25Å; K166-D170 WeakPolarHBondContact O-CB 3.28Å; K166-D170 PolarHBondContact O-N 3.3Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 3.12Å; D170-R173 WeakPolarHBondContact O-CB 3.48Å; D170-R173 PolarHBondContact O-N 3.01Å; D170-R173 VanDerWaalsContact O-N 3.15Å; D170-R173 IonicContact OD1-NH1 3.66Å; D170-R173 PolarHBondContact OD1-NH1 3.35Å; D170-E174 PolarHBondContact O-N 3.45Å; D170-E174 VanDerWaalsContact O-N 3.14Å
171L98.9Very high97.5Very high0 Ų046.6 Ų46.60%022%0.223CC..Hα-helixtrans-63.1-39.7174.9-17768.3000111.8V17 L90 P121 L123 V167 R173 E174 I175V17-L171 HydrophobicContact CB-CD2 4.34Å; V17-L171 HydrophobicContact CG1-CD2 3.66Å; V17-L171 HydrophobicContact CG2-CD2 3.85Å; L90-L171 HydrophobicContact CD2-CB 4.02Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.37Å; L90-L171 HydrophobicContact CG-CD2 3.67Å; P121-L171 HydrophobicContact CB-CD1 3.85Å; L123-L171 HydrophobicContact CB-CD1 4.38Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 2.98Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 2.78Å; L171-E174 WeakPolarHBondContact O-CB 3.26Å; L171-E174 PolarHBondContact O-N 3.18Å; L171-E174 VanDerWaalsContact O-N 3.16Å; L171-I175 HydrophobicContact CG-CD1 4.18Å; L171-I175 WeakPolarHBondContact O-CG1 3.18Å; L171-I175 PolarHBondContact O-N 3.06Å
172M98.8Very high97.1Very high0 Ų046.2 Ų46.20%023%0.226CC..Hα-helixtrans-61.2-34.8175.5-73.4178.475.300112.4H15 V55 L57 V62 I64 F168 F169 D170 I175 R176H15-M172 HydrophobicContact CB-CE 4.13Å; H15-M172 HydrophobicContact CB-CG 4.29Å; V55-M172 HydrophobicContact CG2-CE 3.69Å; V55-M172 HydrophobicContact CG2-SD 4.08Å; L57-M172 HydrophobicContact CD1-CB 4.41Å; L57-M172 HydrophobicContact CD2-CB 4.01Å; L57-M172 HydrophobicContact CD2-CE 4.47Å; V62-M172 HydrophobicContact CG2-CE 3.45Å; V62-M172 VanDerWaalsContact CG2-CE 3.45Å; I64-M172 HydrophobicContact CB-CE 3.96Å; I64-M172 HydrophobicContact CB-SD 3.93Å; I64-M172 HydrophobicContact CD1-CG 4.1Å; I64-M172 HydrophobicContact CD1-SD 3.75Å; I64-M172 HydrophobicContact CG1-SD 4.14Å; F168-M172 WeakPolarHBondContact O-CB 3.17Å; F168-M172 WeakPolarHBondContact O-CG 3.2Å; F168-M172 PolarHBondContact O-N 3.18Å; F169-M172 PolarHBondContact O-N 2.81Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 3.12Å; M172-I175 PolarHBondContact O-N 3.07Å; M172-R176 WeakPolarHBondContact O-CB 3.42Å; M172-R176 PolarHBondContact O-N 2.78Å
173R98.7Very high96.5Very high97 Ų9747.7 Ų47.737%0.36623%0.234SC..Hα-helixtrans-65.4-42173.2-69.5-179-174.3104.14.2111.8L57 D58 F169 D170 L171 R176 A177L57-R173 HydrophobicContact CD1-CG 3.75Å; D58-R173 IonicContact OD1-CZ 3.99Å; D58-R173 IonicContact OD1-NE 3.64Å; D58-R173 PolarHBondContact OD1-NE 3.19Å; D58-R173 IonicContact OD1-NH2 2.67Å; D58-R173 PolarHBondContact OD1-NH2 2.84Å; D58-R173 IonicContact OD2-NE 3.43Å; D58-R173 PolarHBondContact OD2-NE 2.75Å; F169-R173 WeakPolarHBondContact O-CG 3.45Å; F169-R173 PolarHBondContact O-N 2.97Å; D170-R173 WeakPolarHBondContact O-CB 3.48Å; D170-R173 PolarHBondContact O-N 3.01Å; D170-R173 VanDerWaalsContact O-N 3.15Å; D170-R173 IonicContact OD1-NH1 3.66Å; D170-R173 PolarHBondContact OD1-NH1 3.35Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 2.78Å; R173-R176 PolarHBondContact O-N 3.29Å; R173-A177 WeakPolarHBondContact O-CB 3.42Å; R173-A177 PolarHBondContact O-N 2.91Å
174E98.5Very high95.8Very high47 Ų4751.3 Ų51.322%0.2225%0.247CC..Hα-helixtrans-62-45.4175.3-67.7178.6-167.900111.4P121 F122 N152 D170 L171 R176 A177 R178P121-E174 HydrophobicContact CB-CB 3.84Å; P121-E174 HydrophobicContact CG-CB 4.29Å; F122-E174 PolarHBondContact N-OE2 3.01Å; N152-E174 PolarHBondContact ND2-OE1 3.27Å; D170-E174 PolarHBondContact O-N 3.45Å; D170-E174 VanDerWaalsContact O-N 3.14Å; L171-E174 WeakPolarHBondContact O-CB 3.26Å; L171-E174 PolarHBondContact O-N 3.18Å; L171-E174 VanDerWaalsContact O-N 3.16Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.07Å; E174-A177 PolarHBondContact O-N 3.08Å; E174-R178 PolarHBondContact O-N 3.35Å
175I98.6Very high95Very high2 Ų256.4 Ų56.41%0.0127%0.27CS..Hα-helixtrans-59.1-45.5174.4-64.9168.1000110.9H15 V17 E87 P121 L171 M172 R178 K179H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 HydrophobicContact CB-CG2 4.35Å; V17-I175 HydrophobicContact CG2-CD1 3.91Å; E87-I175 HydrophobicContact CB-CD1 4.25Å; E87-I175 HydrophobicContact CB-CG1 4.3Å; E87-I175 HydrophobicContact CB-CG2 3.78Å; P121-I175 HydrophobicContact CB-CG1 3.8Å; P121-I175 HydrophobicContact CG-CG1 4.01Å; L171-I175 HydrophobicContact CG-CD1 4.18Å; L171-I175 WeakPolarHBondContact O-CG1 3.18Å; L171-I175 PolarHBondContact O-N 3.06Å; M172-I175 PolarHBondContact O-N 3.07Å; I175-R178 PolarHBondContact O-N 3.31Å; I175-K179 HydrophobicContact CG2-CD 4.17Å; I175-K179 WeakPolarHBondContact O-CG 3.19Å; I175-K179 PolarHBondContact O-N 2.83Å
176R97.7Very high94Very high55 Ų5559.9 Ų59.921%0.20828%0.282CS..Hα-helixtrans-61.7-46178.8-176.8178.5-174.9-162.84.7111.2L57 D58 E60 M172 R173 E174 R178 K179 M180L57-R176 HydrophobicContact CD2-CB 4.48Å; D58-R176 IonicContact OD2-NH1 3.53Å; D58-R176 PolarHBondContact OD2-NH1 2.95Å; E60-R176 IonicContact OE2-CZ 3.43Å; E60-R176 IonicContact OE2-NE 3.73Å; E60-R176 IonicContact OE2-NH2 3.89Å; E60-R176 PolarHBondContact OE2-NH2 3.32Å; M172-R176 WeakPolarHBondContact O-CB 3.42Å; M172-R176 PolarHBondContact O-N 2.78Å; R173-R176 PolarHBondContact O-N 3.29Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.07Å; R176-R178 PolarHBondContact O-N 2.83Å; R176-K179 PolarHBondContact O-N 2.79Å; R176-M180 HydrophobicContact CG-CE 3.74Å; R176-M180 WeakPolarHBondContact O-CG 3.45Å; R176-M180 PolarHBondContact O-N 3.44Å; R176-M180 VanDerWaalsContact O-N 3.12Å
177A96.9Very high92.9Very high47 Ų4760 Ų6039%0.38829%0.287SS..Hα-helixtrans-58.6-47.3176.900000111.1R173 E174 K179 M180 E181R173-A177 WeakPolarHBondContact O-CB 3.42Å; R173-A177 PolarHBondContact O-N 2.91Å; E174-A177 PolarHBondContact O-N 3.08Å; A177-K179 PolarHBondContact O-N 3.35Å; A177-M180 WeakPolarHBondContact O-CB 3.22Å; A177-M180 PolarHBondContact O-N 2.85Å; A177-M180 VanDerWaalsContact O-N 3.12Å; A177-E181 PolarHBondContact O-N 3.29Å
178R95.5Very high91.8Very high64 Ų6461.5 Ų61.524%0.24230%0.303CS..Hα-helixtrans-61.5-43.6179-173.956.1-179.3-109.51.7112.9D117 N119 P121 E174 I175 R176 M180 E181 D182D117-R178 IonicContact OD1-CZ 2.97Å; D117-R178 IonicContact OD1-NH1 2.67Å; D117-R178 PolarHBondContact OD1-NH1 3.14Å; D117-R178 VanDerWaalsContact OD1-NH1 3.11Å; D117-R178 IonicContact OD1-NH2 3.43Å; D117-R178 PolarHBondContact OD1-NH2 2.7Å; D117-R178 VanDerWaalsContact OD1-NH2 3.11Å; D117-R178 IonicContact OD2-CZ 3.46Å; D117-R178 IonicContact OD2-NH1 2.66Å; D117-R178 PolarHBondContact OD2-NH1 2.99Å; D117-R178 IonicContact OD2-NH2 2.77Å; D117-R178 PolarHBondContact OD2-NH2 3.47Å; N119-R178 PolarHBondContact O-NH1 3.44Å; P121-R178 HydrophobicContact CG-CB 4.18Å; E174-R178 PolarHBondContact O-N 3.35Å; I175-R178 PolarHBondContact O-N 3.31Å; R176-R178 PolarHBondContact O-N 2.83Å; R178-M180 VanDerWaalsContact C-N 3.27Å; R178-M180 PolarHBondContact O-N 3.48Å; R178-E181 PolarHBondContact O-N 3Å; R178-D182 IonicContact NE-OD1 3.69Å; R178-D182 PolarHBondContact O-N 3.24Å
179K94.6Very high90.5Very high59 Ų5967.4 Ų67.426%0.25733%0.329SS..Hα-helixtrans-60.5-35.6175.2-74.5176.3-180175.10113L14 E87 I175 R176 A177 S183L14-K179 PolarHBondContact O-NZ 2.98Å; E87-K179 WeakPolarHBondContact OE1-CE 3.47Å; E87-K179 IonicContact OE1-NZ 2.92Å; E87-K179 PolarHBondContact OE1-NZ 3.08Å; E87-K179 WeakPolarHBondContact OE2-CE 3.35Å; E87-K179 IonicContact OE2-NZ 2.72Å; E87-K179 PolarHBondContact OE2-NZ 3.07Å; I175-K179 HydrophobicContact CG2-CD 4.17Å; I175-K179 WeakPolarHBondContact O-CG 3.19Å; I175-K179 PolarHBondContact O-N 2.83Å; R176-K179 PolarHBondContact O-N 2.79Å; A177-K179 PolarHBondContact O-N 3.35Å; K179-S183 WeakPolarHBondContact O-CB 3.31Å; K179-S183 PolarHBondContact O-N 2.9Å; K179-S183 VanDerWaalsContact O-N 3.17Å; K179-S183 PolarHBondContact O-OG 2.67Å
180M92.4Very high89.1Confident91 Ų9172.1 Ų72.145%0.44835%0.349SS..Hα-helixtrans-69-39.8176.6-70.3180-179.400111.7R176 A177 R178 S183 K184R176-M180 HydrophobicContact CG-CE 3.74Å; R176-M180 WeakPolarHBondContact O-CG 3.45Å; R176-M180 PolarHBondContact O-N 3.44Å; R176-M180 VanDerWaalsContact O-N 3.12Å; A177-M180 WeakPolarHBondContact O-CB 3.22Å; A177-M180 PolarHBondContact O-N 2.85Å; A177-M180 VanDerWaalsContact O-N 3.12Å; R178-M180 VanDerWaalsContact C-N 3.27Å; R178-M180 PolarHBondContact O-N 3.48Å; M180-S183 PolarHBondContact O-N 3.39Å; M180-K184 WeakPolarHBondContact O-CG 3.5Å; M180-K184 PolarHBondContact O-N 2.61Å
181E91Very high87.7Confident110 Ų11078 Ų7851%0.51437%0.373SS..Hα-helixtrans-63.3-50.1175.5-70.7174.6176.800111.7A177 R178 S183 K184 E185A177-E181 PolarHBondContact O-N 3.29Å; R178-E181 PolarHBondContact O-N 3Å; E181-S183 PolarHBondContact O-N 2.95Å; E181-K184 WeakPolarHBondContact O-CB 3.48Å; E181-K184 PolarHBondContact O-N 3.3Å; E181-E185 PolarHBondContact O-N 2.98Å
182D88Confident86.5Confident59 Ų5987.5 Ų87.532%0.31641%0.409SS..Hα-helixtrans-56.4-37.8176.9-75.2-6.1000112.2R178 K186R178-D182 IonicContact NE-OD1 3.69Å; R178-D182 PolarHBondContact O-N 3.24Å; D182-K186 WeakPolarHBondContact O-CB 3.39Å; D182-K186 VanDerWaalsContact O-CG 3.26Å; D182-K186 WeakPolarHBondContact O-CG 3.48Å; D182-K186 PolarHBondContact O-N 3.31Å; D182-K186 VanDerWaalsContact O-N 3.07Å
183S87Confident85.1Confident65 Ų6595.2 Ų95.246%0.45544%0.442SS..Hα-helixtrans-70-40178.5-62.90000112.2K179 M180 E181 N187K179-S183 WeakPolarHBondContact O-CB 3.31Å; K179-S183 PolarHBondContact O-N 2.9Å; K179-S183 VanDerWaalsContact O-N 3.17Å; K179-S183 PolarHBondContact O-OG 2.67Å; M180-S183 PolarHBondContact O-N 3.39Å; E181-S183 PolarHBondContact O-N 2.95Å; S183-N187 WeakPolarHBondContact O-CB 3.2Å; S183-N187 PolarHBondContact O-N 2.59Å; S183-N187 VanDerWaalsContact O-N 3.09Å
184K84.4Confident83.8Confident154 Ų15493.9 Ų93.967%0.6745%0.448SS*.Hα-helixtrans-65.1-43.4175.1-73.6173.9-174.7173.20111.2M180 E181 N187 G188M180-K184 WeakPolarHBondContact O-CG 3.5Å; M180-K184 PolarHBondContact O-N 2.61Å; E181-K184 WeakPolarHBondContact O-CB 3.48Å; E181-K184 PolarHBondContact O-N 3.3Å; K184-N187 PolarHBondContact O-N 3.14Å; K184-G188 PolarHBondContact O-N 2.83Å
185E80.5Confident82.9Confident107 Ų10796.6 Ų96.650%0.546%0.463SS..Hα-helixtrans-62.1-46.8177-75.9-157.5-176.900112.9E181 N187 G188 K189E181-E185 PolarHBondContact O-N 2.98Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 2.96Å; E185-G188 PolarHBondContact O-N 2.93Å; E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 WeakPolarHBondContact O-CG 3.4Å; E185-K189 PolarHBondContact O-N 3.36Å; E185-K189 IonicContact OE2-NZ 2.98Å; E185-K189 PolarHBondContact OE2-NZ 3.2Å
186K78.8Confident81.9Confident132 Ų13298.3 Ų98.357%0.57448%0.478SS*.Hα-helixtrans-60.4-41177.9-74.9171-173.2169.40110.9D182 K190D182-K186 WeakPolarHBondContact O-CB 3.39Å; D182-K186 VanDerWaalsContact O-CG 3.26Å; D182-K186 WeakPolarHBondContact O-CG 3.48Å; D182-K186 PolarHBondContact O-N 3.31Å; D182-K186 VanDerWaalsContact O-N 3.07Å; K186-K190 WeakPolarHBondContact O-CB 3.25Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å; K186-K190 PolarHBondContact O-N 3.06Å
187N76.1Confident81Confident92 Ų92101.7 Ų101.749%0.49249%0.494SS..Hα-helixtrans-68.9-38176.1-77.5-14.1000112.7S183 K184 E185 K190 K191S183-N187 WeakPolarHBondContact O-CB 3.2Å; S183-N187 PolarHBondContact O-N 2.59Å; S183-N187 VanDerWaalsContact O-N 3.09Å; K184-N187 PolarHBondContact O-N 3.14Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 2.96Å; N187-K190 PolarHBondContact O-N 2.76Å; N187-K191 WeakPolarHBondContact O-CB 3.49Å; N187-K191 WeakPolarHBondContact O-CG 3.48Å; N187-K191 PolarHBondContact O-N 2.87Å
188G74.2Confident80Confident31 Ų31107.4 Ų107.432%0.3251%0.506SS..Hα-helixtrans-63-46.717300000112.5K184 E185 K190 K191 R192K184-G188 PolarHBondContact O-N 2.83Å; E185-G188 PolarHBondContact O-N 2.93Å; G188-K190 PolarHBondContact O-N 2.82Å; G188-K191 PolarHBondContact O-N 2.75Å; G188-R192 WeakPolarHBondContact O-CG 3.23Å; G188-R192 PolarHBondContact O-N 3.25Å
189K73.6Confident79.1Confident125 Ų125108.9 Ų108.954%0.54352%0.517SS..Hα-helixtrans-61.5-41.7175.3-73.3168.4-179155.90111.3E185 R192 K193E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 WeakPolarHBondContact O-CG 3.4Å; E185-K189 PolarHBondContact O-N 3.36Å; E185-K189 IonicContact OE2-NZ 2.98Å; E185-K189 PolarHBondContact OE2-NZ 3.2Å; K189-R192 PolarHBondContact O-N 3.03Å; K189-K193 WeakPolarHBondContact O-CG 3.5Å; K189-K193 PolarHBondContact O-N 3.06Å
190K69.3Low78.2Confident143 Ų143114.4 Ų114.462%0.62254%0.537SS*.Hα-helixtrans-62.1-47.3173.6-78.2-180-177.2177.90112.2K186 N187 G188 R192 K193 S194K186-K190 WeakPolarHBondContact O-CB 3.25Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å; K186-K190 PolarHBondContact O-N 3.06Å; N187-K190 PolarHBondContact O-N 2.76Å; G188-K190 PolarHBondContact O-N 2.82Å; K190-R192 PolarHBondContact O-N 2.97Å; K190-K193 PolarHBondContact O-N 2.68Å; K190-S194 PolarHBondContact O-N 3.39Å; K190-S194 PolarHBondContact O-OG 3.32Å
191K67.6Low77.5Confident157 Ų157114.9 Ų114.968%0.68354%0.538SS*.Hα-helixtrans-60.3-41.5176.7-78-176.4178.7-177.50112.3N187 G188 S194 L195N187-K191 WeakPolarHBondContact O-CB 3.49Å; N187-K191 WeakPolarHBondContact O-CG 3.48Å; N187-K191 PolarHBondContact O-N 2.87Å; G188-K191 PolarHBondContact O-N 2.75Å; K191-S194 WeakPolarHBondContact CA-OG 3.45Å; K191-S194 PolarHBondContact O-N 3.03Å; K191-S194 PolarHBondContact O-OG 2.97Å; K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 PolarHBondContact O-N 3.45Å
192R73.7Confident76.7Confident200 Ų200118.7 Ų118.776%0.75555%0.547SS*.Hα-helixtrans-64.8-42.9175.2-73.3176.770.4164.91.1112G188 K189 K190 L195 A196G188-R192 WeakPolarHBondContact O-CG 3.23Å; G188-R192 PolarHBondContact O-N 3.25Å; K189-R192 PolarHBondContact O-N 3.03Å; K190-R192 PolarHBondContact O-N 2.97Å; R192-L195 PolarHBondContact O-N 3.21Å; R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 3.15Å
193K70.8Confident75.5Confident162 Ų162120.1 Ų120.170%0.70456%0.561SS**Hα-helixtrans-63.3-42.9175.1-76.4-176.1178.1-176.30112.1K189 K190 A196 K197K189-K193 WeakPolarHBondContact O-CG 3.5Å; K189-K193 PolarHBondContact O-N 3.06Å; K190-K193 PolarHBondContact O-N 2.68Å; K193-A196 PolarHBondContact O-N 3.5Å; K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.07Å
194S71.9Confident74.1Confident70 Ų70122.1 Ų122.149%0.4957%0.574SS.*Hα-helixtrans-66.2-39176.459.70000112.3K190 K191 K197 R198K190-S194 PolarHBondContact O-N 3.39Å; K190-S194 PolarHBondContact O-OG 3.32Å; K191-S194 WeakPolarHBondContact CA-OG 3.45Å; K191-S194 PolarHBondContact O-N 3.03Å; K191-S194 PolarHBondContact O-OG 2.97Å; S194-K197 PolarHBondContact O-N 3.32Å; S194-R198 WeakPolarHBondContact O-CB 3.49Å; S194-R198 PolarHBondContact O-N 3.41Å
195L79.2Confident72.8Confident103 Ų103121.6 Ų121.654%0.53958%0.577SS.*Hα-helixtrans-65.2-46.6175.5-177.363.1000111.3K191 R192 K197 R198 I199K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 PolarHBondContact O-N 3.45Å; R192-L195 PolarHBondContact O-N 3.21Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; L195-R198 PolarHBondContact O-N 3.44Å; L195-R198 VanDerWaalsContact O-N 3.17Å; L195-I199 HydrophobicContact CD1-CD1 4.26Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.99Å; L195-I199 WeakPolarHBondContact O-CG1 3.28Å; L195-I199 PolarHBondContact O-N 2.7Å
196A76.6Confident71.3Confident39 Ų39126.9 Ų126.932%0.32261%0.607SS.*Hα-helixtrans-64-30.917700000113R192 K193 R200R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 3.15Å; K193-A196 PolarHBondContact O-N 3.5Å; A196-R200 PolarHBondContact O-N 3.3Å; A196-R200 PolarHBondContact O-NE 3.04Å
197K78.9Confident70.9Confident126 Ų126126.6 Ų126.655%0.54861%0.609SS.*Hα-helixtrans-67.4-48.3171-177.7174.7172.7176.40110.8K193 S194 L195 I199 R200 E201K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.07Å; S194-K197 PolarHBondContact O-N 3.32Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3.31Å; K197-R200 PolarHBondContact O-N 3.24Å; K197-E201 WeakPolarHBondContact CE-OE1 3.5Å; K197-E201 WeakPolarHBondContact CG-OE1 3.29Å; K197-E201 IonicContact NZ-OE1 3.94Å; K197-E201 WeakPolarHBondContact O-CG 3.13Å; K197-E201 PolarHBondContact O-N 2.93Å
198R76.8Confident70.6Confident167 Ų167128.4 Ų128.463%0.6362%0.615SS**Hα-helixtrans-64.4-34-179.8-157.7177.7-171.1-171.92.2113.5S194 L195 R202S194-R198 WeakPolarHBondContact O-CB 3.49Å; S194-R198 PolarHBondContact O-N 3.41Å; L195-R198 PolarHBondContact O-N 3.44Å; L195-R198 VanDerWaalsContact O-N 3.17Å; R198-R202 PolarHBondContact O-N 3.32Å
199I77.1Confident70.4Confident95 Ų95133.8 Ų133.849%0.48763%0.632SS.*Hα-helixtrans-68.6-45.5173.8-68.3169000110.5L195 K197 E201 R202 C203L195-I199 HydrophobicContact CD1-CD1 4.26Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.99Å; L195-I199 WeakPolarHBondContact O-CG1 3.28Å; L195-I199 PolarHBondContact O-N 2.7Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3.31Å; I199-E201 PolarHBondContact O-N 3.11Å; I199-R202 PolarHBondContact O-N 3Å; I199-R202 VanDerWaalsContact O-N 3.17Å; I199-C203 PolarHBondContact O-N 3.33Å; I199-C203 VanDerWaalsContact O-N 3.07Å
200R74.3Confident70.2Confident174 Ų174134.4 Ų134.466%0.65764%0.637SS**Hα-helixtrans-60.8-43.2176.1-88.2-178.2-80.2-155.3-2.8112.7A196 K197 R202 C203 C204A196-R200 PolarHBondContact O-N 3.3Å; A196-R200 PolarHBondContact O-NE 3.04Å; K197-R200 PolarHBondContact O-N 3.24Å; R200-R202 PolarHBondContact O-N 2.8Å; R200-C203 PolarHBondContact O-N 3.17Å; R200-C204 PolarHBondContact O-N 3.15Å
201E77.8Confident70.3Confident102 Ų102133.8 Ų133.848%0.47764%0.638SS.*Hα-helixtrans-63.9-27.6176.9-72.5168.9175.500112.8K197 I199 I205K197-E201 WeakPolarHBondContact CE-OE1 3.5Å; K197-E201 WeakPolarHBondContact CG-OE1 3.29Å; K197-E201 IonicContact NZ-OE1 3.94Å; K197-E201 WeakPolarHBondContact O-CG 3.13Å; K197-E201 PolarHBondContact O-N 2.93Å; I199-E201 PolarHBondContact O-N 3.11Å; E201-I205 WeakPolarHBondContact O-CD1 3.48Å; E201-I205 WeakPolarHBondContact O-CG1 3.37Å
202R75.5Confident70.5Confident189 Ų189132.3 Ų132.371%0.71364%0.635SS**Hα-helixtrans-79.4-32.7173.4-80.7-175169.4-155.1-3.7113.6R198 I199 R200R198-R202 PolarHBondContact O-N 3.32Å; I199-R202 PolarHBondContact O-N 3Å; I199-R202 VanDerWaalsContact O-N 3.17Å; R200-R202 PolarHBondContact O-N 2.8Å
203C61.5Low70.2Confident90 Ų90127.4 Ų127.461%0.60863%0.626SS**Hα-helixtrans-78.8-19.7-179.6-74.60000114I199 R200 I205I199-C203 PolarHBondContact O-N 3.33Å; I199-C203 VanDerWaalsContact O-N 3.07Å; R200-C203 PolarHBondContact O-N 3.17Å; C203-I205 VanDerWaalsContact C-N 3.32Å
204C58.8Low70.2Confident106 Ų106124.8 Ų124.872%0.71662%0.62SS**THydrogen-bonded Turntrans-86.35.7176.9-66.80000114.4R200R200-C204 PolarHBondContact O-N 3.15Å
205I55.2Low70Confident143 Ų143129.3 Ų129.373%0.73363%0.631SS**THydrogen-bonded Turntrans-100.718.3177.6-52.8171.3000110.9E201 C203E201-I205 WeakPolarHBondContact O-CD1 3.48Å; E201-I205 WeakPolarHBondContact O-CG1 3.37Å; C203-I205 VanDerWaalsContact C-N 3.32Å
206L49Very low69.2Low218 Ų218131.7 Ų131.7100%1.14164%0.639SS**  trans-121.10170.8-72.1168.4000109

Retrieved 206 of 206 residues in 1319.5 ms (Link to these results)

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