A0A3B3UTG8_9TELE Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3B3UTG8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 207 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.3Very low49.3Very low248 Ų248145.7 Ų145.7100%1.22285%0.848SS**  0109.90-72.6-179.717700108
2A42.4Very low52.5Low107 Ų107138.1 Ų138.188%0.88480%0.801SS**  trans-82.9120.4-178.600000109.8N4A2-N4 PolarHBondContact O-N 3.39Å
3A43.5Very low55.7Low98 Ų98130.4 Ų130.481%0.8176%0.763SS**  trans-86.9101171.700000109.1K5A3-K5 PolarHBondContact O-N 3.28Å
4N47.3Very low58.6Low159 Ų159124.4 Ų124.485%0.8573%0.726SS**  trans-67.2108.3171.5-162.714.8000109.3A2A2-N4 PolarHBondContact O-N 3.39Å
5K44.5Very low61.2Low187 Ų187116.3 Ų116.381%0.81368%0.679SS**  trans-111.589.9166.3-83.7-172177.7179.40108.8A3 K7A3-K5 PolarHBondContact O-N 3.28Å; K5-K7 PolarHBondContact O-N 3.42Å; K5-K7 VanDerWaalsContact O-N 3.14Å
6G46.8Very low63.5Low75 Ų75113.7 Ų113.777%0.77366%0.657SS**  trans-65.4105.1162.400000109.4N8G6-N8 PolarHBondContact O-N 3.14Å
7K44.5Very low65.5Low173 Ų173107 Ų10775%0.75262%0.618SS**  trans-87.391.6163.8-80.8-176175.3179.50107.9K5 Q9K5-K7 PolarHBondContact O-N 3.42Å; K5-K7 VanDerWaalsContact O-N 3.14Å; K7-Q9 PolarHBondContact O-N 3Å
8N44.6Very low67.3Low170 Ų170101.3 Ų101.391%0.90959%0.585SS**  trans-70.183.7150.2-105.22.2000106.4G6 S10G6-N8 PolarHBondContact O-N 3.14Å; N8-S10 PolarHBondContact O-N 2.99Å; N8-S10 VanDerWaalsContact O-N 3.14Å
9Q48Very low68.8Low166 Ų16695.9 Ų95.978%0.77655%0.554SS**  trans-69.1102.1161.6-105.1176.3-19.400105.8K7 S11K7-Q9 PolarHBondContact O-N 3Å; Q9-S11 PolarHBondContact O-N 3.14Å
10S59.7Low70.1Confident110 Ų11091.3 Ų91.377%0.76953%0.527SS*.  trans-63.1107.316760.40000107N8 L12N8-S10 PolarHBondContact O-N 2.99Å; N8-S10 VanDerWaalsContact O-N 3.14Å; S10-L12 PolarHBondContact O-N 3.27Å
11S81.5Confident71.3Confident110 Ų11087 Ų8777%0.76950%0.503SS*.PPolyproline II helixtrans-59.1128.6171.253.80000108.6Q9Q9-S11 PolarHBondContact O-N 3.14Å
12L88.4Confident73.9Confident54 Ų5476.4 Ų76.428%0.28345%0.453SS..PPolyproline II helixtrans-54.2143.7173.7-61.4174.4000109.8S10 L14 K54 E61S10-L12 PolarHBondContact O-N 3.27Å; L12-L14 PolarHBondContact O-N 3.35Å; L12-K54 HydrophobicContact CD1-CD 3.95Å; L12-K54 HydrophobicContact CD1-CG 4.27Å; L12-E61 HydrophobicContact CD1-CG 4.17Å; L12-E61 HydrophobicContact CD2-CB 4.11Å; L12-E61 HydrophobicContact CD2-CG 4.02Å; L12-E61 WeakPolarHBondContact CD2-O 3.5Å
13A94.1Very high76.2Confident38 Ų3872.5 Ų72.531%0.31442%0.423SS..EExtended strand (participates in β ladder)trans-60.5127.317400000109.3V62 Q63A13-V62 HydrophobicContact CB-CB 4.48Å; A13-V62 HydrophobicContact CB-CG1 4.11Å; A13-Q63 PolarHBondContact O-N 2.93Å
14L96.4Very high78.5Confident46 Ų4670.8 Ų70.824%0.24142%0.415CS..EExtended strand (participates in β ladder)trans-99.1129.4176.5-17466000109.3L12 K16 Q63 D65 K180L12-L14 PolarHBondContact O-N 3.35Å; L14-K16 HydrophobicContact CD2-CG 4.49Å; L14-Q63 CarbonylContact C-O 3.49Å; L14-Q63 VanDerWaalsContact CA-O 3.31Å; L14-Q63 WeakPolarHBondContact CA-O 3.34Å; L14-Q63 HydrophobicContact CD1-CB 3.87Å; L14-Q63 HydrophobicContact CD1-CG 3.76Å; L14-D65 HydrophobicContact CD1-CB 3.96Å; L14-K180 PolarHBondContact O-NZ 3.19Å
15H97.6Very high80.8Confident3 Ų363.2 Ų63.21%0.01437%0.374CS..EExtended strand (participates in β ladder)trans-114.2115174.6-65.6-57.9000109.9Q63 I64 D65 E87 M173 V176H15-Q63 PolarHBondContact N-O 3.42Å; H15-I64 WeakPolarHBondContact O-CA 3.38Å; H15-D65 PolarHBondContact O-N 3.25Å; H15-E87 VanDerWaalsContact CA-OE2 3.32Å; H15-E87 WeakPolarHBondContact CA-OE2 3.35Å; H15-M173 HydrophobicContact CB-CG 4.09Å; H15-V176 WeakPolarHBondContact ND1-CG1 3.46Å
16K97.6Very high83.2Confident75 Ų7555.1 Ų55.133%0.32634%0.344SS..EExtended strand (participates in β ladder)trans-93.8109.5-179.4-61.9179.4179.3-1780111.1L14 D65 S85 E87 G88L14-K16 HydrophobicContact CD2-CG 4.49Å; K16-D65 CarbonylContact C-O 3.57Å; K16-D65 WeakPolarHBondContact CA-O 3.4Å; K16-D65 HydrophobicContact CG-CB 4.37Å; K16-S85 VanDerWaalsContact CD-O 3.3Å; K16-S85 WeakPolarHBondContact CD-O 3.4Å; K16-E87 HydrophobicContact CB-CB 4.4Å; K16-E87 HydrophobicContact CB-CG 4.07Å; K16-E87 PolarHBondContact N-OE2 2.81Å; K16-E87 PolarHBondContact O-N 3.27Å; K16-G88 PolarHBondContact O-N 3.13Å; K16-G88 VanDerWaalsContact O-N 3.09Å
17V98Very high85.5Confident0 Ų051.9 Ų51.90%031%0.309CS..EExtended strand (participates in β ladder)trans-105.1132.9179.7173.10000109.5M19 I64 D65 I66 L67 G88 L90 F169 L172V17-M19 HydrophobicContact CG1-SD 4.5Å; V17-I64 HydrophobicContact CB-CD1 4.47Å; V17-I64 HydrophobicContact CG2-CD1 3.97Å; V17-I64 HydrophobicContact CG2-CG1 4.13Å; V17-D65 PolarHBondContact N-O 3.31Å; V17-I66 CarbonylContact O-C 3.49Å; V17-I66 WeakPolarHBondContact O-CA 3.13Å; V17-L67 PolarHBondContact O-N 3.33Å; V17-G88 WeakPolarHBondContact CA-O 3.42Å; V17-L90 HydrophobicContact CG1-CD1 4.34Å; V17-L90 HydrophobicContact CG1-CG 4.18Å; V17-F169 HydrophobicContact CG1-CD1 4.49Å; V17-F169 HydrophobicContact CG1-CE1 4.47Å; V17-L172 HydrophobicContact CB-CD2 4.31Å; V17-L172 HydrophobicContact CG1-CD2 3.62Å; V17-L172 HydrophobicContact CG2-CD2 3.84Å; V17-L172 HydrophobicContact CG2-CG 4.46Å
18I97.2Very high87.9Confident4 Ų444.4 Ų44.42%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-110.3127.7175.8-46.3-59.4000109.1V20 L67 T69 F83 G88 F89 L90I18-V20 HydrophobicContact CB-CG2 4.38Å; I18-V20 HydrophobicContact CG2-CG2 3.83Å; I18-L67 HydrophobicContact CD1-CB 3.7Å; I18-L67 HydrophobicContact CD1-CD2 3.89Å; I18-L67 HydrophobicContact CD1-CG 4.45Å; I18-L67 HydrophobicContact CG2-CD2 4.44Å; I18-T69 HydrophobicContact CG2-CG2 4.31Å; I18-F83 HydrophobicContact CG2-CD1 4.4Å; I18-F83 HydrophobicContact CG2-CE1 4.45Å; I18-G88 PolarHBondContact N-O 2.87Å; I18-F89 HydrophobicContact CB-CD1 3.88Å; I18-F89 HydrophobicContact CB-CE1 4.1Å; I18-F89 HydrophobicContact CG1-CD1 4.26Å; I18-F89 HydrophobicContact CG1-CE1 4.03Å; I18-F89 WeakPolarHBondContact O-CA 3.25Å; I18-L90 PolarHBondContact O-N 2.79Å
19M96.6Very high90.3Very high0 Ų037.2 Ų37.20%024%0.243CC..EExtended strand (participates in β ladder)trans-84.4122.1171.1-55-60.1-73.800109.2V17 K27 L30 I66 L67 T69 L90 V92 F169V17-M19 HydrophobicContact CG1-SD 4.5Å; M19-K27 HydrophobicContact CB-CB 4.02Å; M19-K27 HydrophobicContact CB-CD 4.2Å; M19-K27 HydrophobicContact CB-CG 4.32Å; M19-K27 HydrophobicContact CE-CB 4.48Å; M19-L30 HydrophobicContact CE-CB 4.1Å; M19-L30 HydrophobicContact CE-CD1 4.33Å; M19-I66 HydrophobicContact CG-CG2 3.71Å; M19-I66 HydrophobicContact SD-CG2 4.06Å; M19-L67 PolarHBondContact N-O 2.88Å; M19-T69 WeakPolarHBondContact O-CG2 3.33Å; M19-T69 PolarHBondContact O-OG1 2.81Å; M19-L90 HydrophobicContact CE-CB 4.37Å; M19-L90 HydrophobicContact CE-CD1 4.17Å; M19-L90 HydrophobicContact SD-CB 3.96Å; M19-L90 HydrophobicContact SD-CD1 3.76Å; M19-L90 HydrophobicContact SD-CG 4.32Å; M19-V92 HydrophobicContact CE-CG2 3.92Å; M19-F169 HydrophobicContact CE-CE1 4.43Å; M19-F169 HydrophobicContact CE-CZ 4.01Å; M19-F169 HydrophobicContact SD-CE1 3.77Å; M19-F169 HydrophobicContact SD-CZ 3.95Å
20V95Very high92.6Very high3 Ų329.3 Ų29.32%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-129.7142.7-176.9-171.50000109.7I18 F83 F89 L90 L91 V92 F107 I111I18-V20 HydrophobicContact CB-CG2 4.38Å; I18-V20 HydrophobicContact CG2-CG2 3.83Å; V20-F83 HydrophobicContact CG1-CE1 4.3Å; V20-F83 HydrophobicContact CG1-CZ 4.09Å; V20-F83 HydrophobicContact CG2-CE1 3.72Å; V20-F83 HydrophobicContact CG2-CZ 4.31Å; V20-F89 HydrophobicContact CG2-CD1 4.04Å; V20-L90 PolarHBondContact N-O 3.09Å; V20-L91 HydrophobicContact CB-CD1 4.26Å; V20-L91 HydrophobicContact CG1-CD1 4.12Å; V20-L91 CarbonylContact O-C 3.42Å; V20-L91 WeakPolarHBondContact O-CA 3.39Å; V20-V92 PolarHBondContact O-N 2.84Å; V20-F107 HydrophobicContact CG1-CB 3.73Å; V20-F107 HydrophobicContact CG1-CD1 3.42Å; V20-F107 VanDerWaalsContact CG1-CD1 3.42Å; V20-F107 HydrophobicContact CG1-CD2 4.47Å; V20-F107 HydrophobicContact CG1-CE1 4.14Å; V20-F107 HydrophobicContact CG1-CG 3.63Å; V20-I111 HydrophobicContact CG1-CD1 4.49Å; V20-I111 HydrophobicContact CG2-CD1 4.37Å
21G95.1Very high94.3Very high1 Ų124.1 Ų24.11%0.0117%0.169CC..SBendtrans148165.8-178.200000112K27 G71 V92G21-K27 PolarHBondContact O-NZ 2.8Å; G21-G71 WeakPolarHBondContact O-CA 3.47Å; G21-V92 WeakPolarHBondContact CA-O 3.39Å
22S93.4Very high95Very high25 Ų2519.7 Ų19.718%0.17514%0.137CC..  trans-57.1163.4-178.6-56.40000113.1V25 K27 A103S22-V25 VanDerWaalsContact O-CG2 3.25Å; S22-V25 WeakPolarHBondContact O-CG2 3.39Å; S22-K27 PolarHBondContact O-NZ 3.09Å; S22-A103 WeakPolarHBondContact OG-CB 3.46Å
23G91.3Very high95.3Very high26 Ų2617.7 Ų17.727%0.26813%0.126SC..THydrogen-bonded Turntrans-57.4146.4170.500000111.4V25G23-V25 PolarHBondContact O-N 2.94Å; G23-V25 VanDerWaalsContact O-N 3.13Å
24G91.3Very high95.5Very high61 Ų6116 Ų1663%0.62911%0.111SC*.THydrogen-bonded Turntrans74.4-2172.900000117.1G26 K129G24-G26 VanDerWaalsContact C-N 3.25Å; G24-G26 PolarHBondContact O-N 2.95Å; G24-K129 WeakPolarHBondContact O-CE 3.26Å; G24-K129 PolarHBondContact O-NZ 2.99Å
25V95.3Very high95.4Very high0 Ų014.5 Ų14.50%010%0.104CC..SBendtrans-72.2-17.5178.8-56.10000113.7S22 G23 K27 V92 N128S22-V25 VanDerWaalsContact O-CG2 3.25Å; S22-V25 WeakPolarHBondContact O-CG2 3.39Å; G23-V25 PolarHBondContact O-N 2.94Å; G23-V25 VanDerWaalsContact O-N 3.13Å; V25-K27 HydrophobicContact CG2-CD 4.42Å; V25-K27 HydrophobicContact CG2-CG 3.74Å; V25-V92 HydrophobicContact CB-CG1 4.43Å; V25-V92 HydrophobicContact CG2-CB 4.09Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; V25-N128 PolarHBondContact O-ND2 3.46Å
26G94.9Very high95.2Very high17 Ų1720.2 Ų20.218%0.17513%0.126CC..SBendtrans101.829.3176.200000115.9G24 A29 L30G24-G26 VanDerWaalsContact C-N 3.25Å; G24-G26 PolarHBondContact O-N 2.95Å; G26-A29 PolarHBondContact O-N 3.4Å; G26-L30 WeakPolarHBondContact O-CG 3.32Å; G26-L30 PolarHBondContact O-N 2.82Å
27K95.3Very high94.9Very high7 Ų721.5 Ų21.53%0.0314%0.136CC..Hα-helixtrans-55.6-50.5174-60.3-175.1-60.3-78.20112.3M19 G21 S22 V25 L30 T31 D68 T69 A70 V92M19-K27 HydrophobicContact CB-CB 4.02Å; M19-K27 HydrophobicContact CB-CD 4.2Å; M19-K27 HydrophobicContact CB-CG 4.32Å; M19-K27 HydrophobicContact CE-CB 4.48Å; G21-K27 PolarHBondContact O-NZ 2.8Å; S22-K27 PolarHBondContact O-NZ 3.09Å; V25-K27 HydrophobicContact CG2-CD 4.42Å; V25-K27 HydrophobicContact CG2-CG 3.74Å; K27-L30 PolarHBondContact O-N 3.12Å; K27-T31 WeakPolarHBondContact O-CB 3.38Å; K27-T31 PolarHBondContact O-N 3.49Å; K27-T31 PolarHBondContact O-OG1 3.34Å; K27-D68 VanDerWaalsContact CB-OD1 3.3Å; K27-D68 WeakPolarHBondContact CB-OD1 3.5Å; K27-T69 WeakPolarHBondContact CE-O 3.46Å; K27-A70 PolarHBondContact NZ-O 2.84Å; K27-A70 VanDerWaalsContact NZ-O 3.12Å; K27-V92 HydrophobicContact CG-CB 4.27Å; K27-V92 HydrophobicContact CG-CG2 4.43Å
28S93.8Very high94.3Very high17 Ų1727.1 Ų27.112%0.11916%0.162CC..Hα-helixtrans-64.8-43.6177.3-38.80000111.4L30 T31 L32 T46 D68S28-L30 PolarHBondContact O-N 2.68Å; S28-T31 PolarHBondContact O-N 3.14Å; S28-T31 VanDerWaalsContact O-N 3.15Å; S28-L32 WeakPolarHBondContact O-CB 3.47Å; S28-L32 WeakPolarHBondContact O-CG 3.49Å; S28-L32 PolarHBondContact O-N 2.69Å; S28-T46 PolarHBondContact OG-OG1 3.22Å; S28-D68 WeakPolarHBondContact CA-OD2 3.47Å; S28-D68 WeakPolarHBondContact CB-OD2 3.26Å; S28-D68 PolarHBondContact N-OD1 3.27Å; S28-D68 PolarHBondContact OG-OD1 3.43Å; S28-D68 PolarHBondContact OG-OD2 2.74Å
29A94.9Very high93.7Very high19 Ų1930.6 Ų30.616%0.15718%0.177CC..Hα-helixtrans-60.7-43.6177.800000112.4G26 Q33 F39 A159G26-A29 PolarHBondContact O-N 3.4Å; A29-Q33 WeakPolarHBondContact O-CB 3.33Å; A29-Q33 PolarHBondContact O-N 3.01Å; A29-F39 HydrophobicContact CB-CE2 4.28Å; A29-A159 HydrophobicContact CB-CB 3.68Å
30L97.4Very high92.9Very high0 Ų033.3 Ų33.30%019%0.194CC..Hα-helixtrans-63.7-42.5173.8-73.1172.8000111.8M19 G26 K27 S28 F34 V92 V126 N128 A159 V165 F169M19-L30 HydrophobicContact CE-CB 4.1Å; M19-L30 HydrophobicContact CE-CD1 4.33Å; G26-L30 WeakPolarHBondContact O-CG 3.32Å; G26-L30 PolarHBondContact O-N 2.82Å; K27-L30 PolarHBondContact O-N 3.12Å; S28-L30 PolarHBondContact O-N 2.68Å; L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 2.83Å; L30-V92 HydrophobicContact CD1-CG1 3.85Å; L30-V92 HydrophobicContact CD1-CG2 4.16Å; L30-V126 HydrophobicContact CD1-CG1 4.24Å; L30-N128 HydrophobicContact CD1-CB 4.32Å; L30-A159 HydrophobicContact CD2-CB 3.92Å; L30-A159 HydrophobicContact CG-CB 4.21Å; L30-V165 HydrophobicContact CD2-CG1 4.41Å; L30-V165 HydrophobicContact CD2-CG2 3.74Å; L30-F169 HydrophobicContact CB-CE2 4.5Å
31T96Very high91.8Very high0 Ų039.9 Ų39.90%023%0.225CC..Hα-helixtrans-62.7-51.5179.5-58.50000111.1K27 S28 F34 M35 Y51 I66K27-T31 WeakPolarHBondContact O-CB 3.38Å; K27-T31 PolarHBondContact O-N 3.49Å; K27-T31 PolarHBondContact O-OG1 3.34Å; S28-T31 PolarHBondContact O-N 3.14Å; S28-T31 VanDerWaalsContact O-N 3.15Å; T31-F34 PolarHBondContact O-N 2.9Å; T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.31Å; T31-M35 WeakPolarHBondContact O-CG 3.5Å; T31-M35 PolarHBondContact O-N 2.79Å; T31-Y51 HydrophobicContact CG2-CD2 3.56Å; T31-Y51 HydrophobicContact CG2-CE2 4.06Å; T31-Y51 HydrophobicContact CG2-CG 3.95Å; T31-I66 HydrophobicContact CG2-CB 4.25Å; T31-I66 HydrophobicContact CG2-CD1 4.32Å; T31-I66 HydrophobicContact CG2-CG2 3.78Å
32L94.4Very high90.5Very high17 Ų1747.3 Ų47.39%0.08926%0.264CS..Hα-helixtrans-64.6-41.3179.4-66.5175.3000112S28 F34 M35 Y36 V40 Y43 Y51S28-L32 WeakPolarHBondContact O-CB 3.47Å; S28-L32 WeakPolarHBondContact O-CG 3.49Å; S28-L32 PolarHBondContact O-N 2.69Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 2.78Å; L32-M35 PolarHBondContact O-N 2.88Å; L32-Y36 HydrophobicContact CD2-CD2 3.86Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 PolarHBondContact O-N 2.8Å; L32-V40 HydrophobicContact CD1-CG2 4.48Å; L32-Y43 HydrophobicContact CD1-CD2 3.71Å; L32-Y43 HydrophobicContact CD1-CE2 3.59Å; L32-Y51 HydrophobicContact CD2-CE1 3.93Å
33Q96.3Very high89.4Confident12 Ų1250.1 Ų50.16%0.05627%0.272CS..Hα-helixtrans-59.1-45.9175.1-179.263.4-87.300110.6A29 M35 D37 E38 A159 R162 V165A29-Q33 WeakPolarHBondContact O-CB 3.33Å; A29-Q33 PolarHBondContact O-N 3.01Å; Q33-M35 PolarHBondContact O-N 3.5Å; Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.37Å; Q33-D37 PolarHBondContact O-N 3.21Å; Q33-D37 VanDerWaalsContact OE1-C 3.23Å; Q33-E38 VanDerWaalsContact CA-O 3.27Å; Q33-E38 WeakPolarHBondContact CA-O 3.44Å; Q33-E38 PolarHBondContact N-O 3.23Å; Q33-A159 PolarHBondContact NE2-O 3.34Å; Q33-R162 HydrophobicContact CG-CB 4.27Å; Q33-R162 HydrophobicContact CG-CG 3.85Å; Q33-R162 PolarHBondContact O-NH1 2.91Å; Q33-V165 HydrophobicContact CB-CG1 4.25Å; Q33-V165 HydrophobicContact CG-CB 4.36Å; Q33-V165 HydrophobicContact CG-CG1 4Å; Q33-V165 HydrophobicContact CG-CG2 4.07Å
34F97.3Very high88.2Confident3 Ų356.9 Ų56.91%0.01330%0.296CS..Hα-helixtrans-67-36.1175.8177.8-103.9000113.7L30 T31 L32 K53 V55 I64 I66 V165 D166 F169 F170L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 2.83Å; T31-F34 PolarHBondContact O-N 2.9Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 2.78Å; F34-K53 PolarHBondContact O-NZ 2.71Å; F34-V55 HydrophobicContact CZ-CG1 4.16Å; F34-I64 HydrophobicContact CE1-CD1 4.11Å; F34-I64 HydrophobicContact CE1-CG2 3.91Å; F34-I64 HydrophobicContact CZ-CD1 4.47Å; F34-I64 HydrophobicContact CZ-CG2 4.42Å; F34-I66 HydrophobicContact CD1-CD1 3.58Å; F34-I66 HydrophobicContact CE1-CD1 3.9Å; F34-V165 HydrophobicContact CB-CG1 3.95Å; F34-D166 WeakPolarHBondContact CD2-OD1 3.25Å; F34-F169 HydrophobicContact CB-CD2 3.61Å; F34-F169 HydrophobicContact CB-CE2 3.46Å; F34-F169 VanDerWaalsContact CB-CE2 3.46Å; F34-F169 HydrophobicContact CB-CG 4.48Å; F34-F169 HydrophobicContact CB-CZ 4.21Å; F34-F169 HydrophobicContact CD1-CD1 4.39Å; F34-F169 HydrophobicContact CD1-CD2 4.03Å; F34-F169 HydrophobicContact CD1-CE2 4.34Å; F34-F169 HydrophobicContact CD1-CG 4.08Å; F34-F169 HydrophobicContact CD2-CB 4.02Å; F34-F169 AromaticContact CD2-CD2 3.57Å; F34-F169 HydrophobicContact CD2-CD2 3.57Å; F34-F169 HydrophobicContact CD2-CE2 4.33Å; F34-F169 AromaticContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CE1-CB 4.33Å; F34-F169 HydrophobicContact CE1-CG 4.28Å; F34-F169 HydrophobicContact CE2-CB 3.77Å; F34-F169 HydrophobicContact CE2-CD2 4.21Å; F34-F169 HydrophobicContact CE2-CG 4.19Å; F34-F169 HydrophobicContact CG-CB 4.39Å; F34-F169 AromaticContact CG-CD2 3.44Å; F34-F169 HydrophobicContact CG-CD2 3.44Å; F34-F169 VanDerWaalsContact CG-CD2 3.44Å; F34-F169 AromaticContact CG-CE2 3.8Å; F34-F169 HydrophobicContact CG-CE2 3.8Å; F34-F169 AromaticContact CG-CG 3.91Å; F34-F169 HydrophobicContact CG-CG 3.91Å; F34-F169 HydrophobicContact CG-CZ 4.5Å; F34-F169 HydrophobicContact CZ-CB 3.92Å; F34-F169 HydrophobicContact CZ-CG 4.32Å; F34-F170 HydrophobicContact CE2-CD2 4.32Å; F34-F170 AromaticContact CE2-CE2 3.95Å; F34-F170 HydrophobicContact CE2-CE2 3.95Å
35M94.8Very high87.1Confident15 Ų1560.2 Ų60.27%0.07431%0.306CS..Hα-helixtrans-75.2-48.5-175.9-73.2-64.3-59.800112.4T31 L32 Q33 Y51 K53 I66T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.31Å; T31-M35 WeakPolarHBondContact O-CG 3.5Å; T31-M35 PolarHBondContact O-N 2.79Å; L32-M35 PolarHBondContact O-N 2.88Å; Q33-M35 PolarHBondContact O-N 3.5Å; M35-Y51 HydrophobicContact CE-CD1 4.49Å; M35-Y51 HydrophobicContact CG-CD1 4.36Å; M35-Y51 HydrophobicContact CG-CG 4.32Å; M35-K53 HydrophobicContact CE-CB 3.76Å; M35-K53 HydrophobicContact CE-CD 4.5Å; M35-K53 PolarHBondContact O-NZ 3.18Å; M35-K53 HydrophobicContact SD-CB 3.66Å; M35-K53 HydrophobicContact SD-CD 4.12Å; M35-I66 HydrophobicContact SD-CD1 4.19Å
36Y93.2Very high85.6Confident122 Ų12260.8 Ų60.848%0.47831%0.31SS..Hα-helixtrans-123.5-1.3-165.3-53.7-56.8000114.4L32 E38 Y51L32-Y36 HydrophobicContact CD2-CD2 3.86Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 PolarHBondContact O-N 2.8Å; Y36-E38 PolarHBondContact O-N 3.24Å; Y36-Y51 HydrophobicContact CE2-CD1 4.23Å; Y36-Y51 HydrophobicContact CE2-CE1 4.17Å
37D92.2Very high84.4Confident102 Ų10269.1 Ų69.155%0.54534%0.341SS..SBendtrans59.732.1-176.2-50.8-20.1000112.8Q33 R162Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.37Å; Q33-D37 PolarHBondContact O-N 3.21Å; Q33-D37 VanDerWaalsContact OE1-C 3.23Å; D37-R162 VanDerWaalsContact CG-NH1 3.35Å; D37-R162 IonicContact OD1-CZ 3.2Å; D37-R162 IonicContact OD1-NH1 3.73Å; D37-R162 PolarHBondContact OD1-NH1 3.28Å; D37-R162 IonicContact OD1-NH2 2.8Å; D37-R162 PolarHBondContact OD1-NH2 3.32Å
38E85.2Confident83.3Confident118 Ų11870 Ų7055%0.55135%0.35SS*.  trans-120.1142.7-178.9-71-178.117600111.3Q33 Y36Q33-E38 VanDerWaalsContact CA-O 3.27Å; Q33-E38 WeakPolarHBondContact CA-O 3.44Å; Q33-E38 PolarHBondContact N-O 3.23Å; Y36-E38 PolarHBondContact O-N 3.24Å
39F84.8Confident82.9Confident77 Ų7772.8 Ų72.834%0.33836%0.364SS..  trans-112.9117.2169.4178.3-113.1000109.4A29 E41 A159 K160A29-F39 HydrophobicContact CB-CE2 4.28Å; F39-E41 HydrophobicContact CD1-CG 3.93Å; F39-E41 HydrophobicContact CE1-CB 4.46Å; F39-E41 HydrophobicContact CE1-CG 3.26Å; F39-E41 HydrophobicContact CZ-CG 3.95Å; F39-A159 HydrophobicContact CD2-CB 4.24Å; F39-A159 WeakPolarHBondContact CD2-O 3.41Å; F39-A159 HydrophobicContact CE2-CB 4.21Å; F39-K160 HydrophobicContact CD1-CB 4.31Å; F39-K160 HydrophobicContact CD1-CG 4.06Å; F39-K160 HydrophobicContact CD2-CB 4.41Å; F39-K160 HydrophobicContact CE1-CB 3.98Å; F39-K160 HydrophobicContact CE1-CD 4.23Å; F39-K160 HydrophobicContact CE1-CG 3.79Å; F39-K160 HydrophobicContact CE2-CB 4.14Å; F39-K160 HydrophobicContact CG-CB 4.5Å; F39-K160 HydrophobicContact CZ-CB 3.91Å; F39-K160 HydrophobicContact CZ-CG 4.22Å
40V78.6Confident82.7Confident58 Ų5875.4 Ų75.435%0.35238%0.381SS..  trans-105.4113.7177.2-176.40000107.9L32 D42L32-V40 HydrophobicContact CD1-CG2 4.48Å; V40-D42 WeakPolarHBondContact CG1-O 3.46Å
41E72.4Confident82.6Confident140 Ų14076.8 Ų76.865%0.65439%0.386SS*.SBendtrans-70.6-45.7-180-76.7-173.3170.500111.8F39 Y43F39-E41 HydrophobicContact CD1-CG 3.93Å; F39-E41 HydrophobicContact CE1-CB 4.46Å; F39-E41 HydrophobicContact CE1-CG 3.26Å; F39-E41 HydrophobicContact CZ-CG 3.95Å; E41-Y43 PolarHBondContact O-N 3.08Å
42D68.6Low82.6Confident157 Ų15783.1 Ų83.184%0.8441%0.41SS*.SBendtrans-98.988179.4-64.7-42.1000109.9V40V40-D42 WeakPolarHBondContact CG1-O 3.46Å
43Y68.7Low82.6Confident85 Ų8585.1 Ų85.133%0.33342%0.418SS..PPolyproline II helixtrans-102.3130.2174-167.2-95.6000110.5L32 E41 T46L32-Y43 HydrophobicContact CD1-CD2 3.71Å; L32-Y43 HydrophobicContact CD1-CE2 3.59Å; E41-Y43 PolarHBondContact O-N 3.08Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.32Å
44E67.3Low82.7Confident168 Ų16890.4 Ų90.479%0.78544%0.441SS*.PPolyproline II helixtrans-64.9134173.4-68.6-169.316000110T46E44-T46 PolarHBondContact O-N 3.22Å
45P68.8Low82.7Confident130 Ų13091 Ų9184%0.84445%0.445SS*.PPolyproline II helixtrans-48.1118.1179.2-29.135000112.7
46T63.8Low82.8Confident12 Ų1294.8 Ų94.87%0.07447%0.468CS..PPolyproline II helixtrans-62.1143.8-177.8-40.60000110.6S28 Y43 E44 D49 D68 A70S28-T46 PolarHBondContact OG-OG1 3.22Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.32Å; E44-T46 PolarHBondContact O-N 3.22Å; T46-D49 HydrophobicContact CG2-CB 4.36Å; T46-D68 PolarHBondContact OG1-OD2 2.9Å; T46-A70 WeakPolarHBondContact O-CA 3.41Å; T46-A70 WeakPolarHBondContact O-CB 3.3Å
47K68Low83Confident192 Ų19289 Ų8984%0.83545%0.446SS*.SBendtrans-80.8-65.6163-172.2175.3-179.4177.30110.2
48A72.6Confident83.1Confident27 Ų2788.3 Ų88.322%0.22344%0.442CS..EExtended strand (participates in β ladder)trans-173.7132.2160.900000107.8D68 Y82A48-D68 CarbonylContact C-O 3.57Å; A48-D68 VanDerWaalsContact CA-O 3.25Å; A48-D68 WeakPolarHBondContact CA-O 3.37Å; A48-Y82 HydrophobicContact CB-CE2 4.45Å
49D85.9Confident83.6Confident75 Ų7586.1 Ų86.140%0.40145%0.451SS..EExtended strand (participates in β ladder)trans-133.9144.6-179-77.7-48.7000112T46 Y51 D68T46-D49 HydrophobicContact CG2-CB 4.36Å; D49-Y51 HydrophobicContact CB-CD2 4.4Å; D49-Y51 HydrophobicContact CB-CE2 3.59Å; D49-D68 PolarHBondContact N-O 3.02Å; D49-D68 PolarHBondContact O-N 3.46Å
50S91.3Very high84.1Confident73 Ų7387 Ų8751%0.5146%0.456SS..EExtended strand (participates in β ladder)trans-107.7128.31771630000110.5D65 I66S50-D65 PolarHBondContact OG-OD1 3.27Å; S50-I66 CarbonylContact C-O 3.39Å; S50-I66 WeakPolarHBondContact CA-O 3.31Å
51Y94.6Very high84.9Confident30 Ų3088.8 Ų88.812%0.11846%0.461CS..EExtended strand (participates in β ladder)trans-118.5131.7-178.7-65.1-89.4000109.7T31 L32 M35 Y36 D49 D65 I66 D68T31-Y51 HydrophobicContact CG2-CD2 3.56Å; T31-Y51 HydrophobicContact CG2-CE2 4.06Å; T31-Y51 HydrophobicContact CG2-CG 3.95Å; L32-Y51 HydrophobicContact CD2-CE1 3.93Å; M35-Y51 HydrophobicContact CE-CD1 4.49Å; M35-Y51 HydrophobicContact CG-CD1 4.36Å; M35-Y51 HydrophobicContact CG-CG 4.32Å; Y36-Y51 HydrophobicContact CE2-CD1 4.23Å; Y36-Y51 HydrophobicContact CE2-CE1 4.17Å; D49-Y51 HydrophobicContact CB-CD2 4.4Å; D49-Y51 HydrophobicContact CB-CE2 3.59Å; Y51-D65 CarbonylContact O-C 3.56Å; Y51-D65 WeakPolarHBondContact O-CA 3.1Å; Y51-I66 PolarHBondContact N-O 3.27Å; Y51-I66 PolarHBondContact O-N 3.47Å; Y51-D68 HydrophobicContact CD2-CB 4.44Å; Y51-D68 HydrophobicContact CE2-CB 4.1Å
52R96.5Very high86.1Confident132 Ų13282.1 Ų82.150%0.49843%0.43SS..EExtended strand (participates in β ladder)trans-127.5124.4-176.3-164.9177-75.2-170.4-1.5112Q63 I64 D65R52-Q63 HydrophobicContact CG-CG 3.54Å; R52-Q63 VanDerWaalsContact CG-NE2 3.33Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.27Å; R52-I64 WeakPolarHBondContact CG-O 3.08Å; R52-D65 IonicContact CZ-OD2 3.43Å; R52-D65 IonicContact NE-OD2 3.27Å; R52-D65 PolarHBondContact NE-OD2 3.33Å; R52-D65 IonicContact NH2-OD2 3.5Å; R52-D65 PolarHBondContact NH2-OD2 2.81Å
53K94.3Very high87.5Confident60 Ų6076.9 Ų76.926%0.26140%0.4SS..EExtended strand (participates in β ladder)trans-132.4145.1-179.3-175168.4177.2170.90110.2F34 M35 V55 Q63 I64F34-K53 PolarHBondContact O-NZ 2.71Å; M35-K53 HydrophobicContact CE-CB 3.76Å; M35-K53 HydrophobicContact CE-CD 4.5Å; M35-K53 PolarHBondContact O-NZ 3.18Å; M35-K53 HydrophobicContact SD-CB 3.66Å; M35-K53 HydrophobicContact SD-CD 4.12Å; K53-V55 HydrophobicContact CD-CG1 4.35Å; K53-V55 HydrophobicContact CG-CG1 4.01Å; K53-Q63 WeakPolarHBondContact O-CA 3.32Å; K53-I64 HydrophobicContact CB-CG2 4.14Å; K53-I64 PolarHBondContact N-O 2.85Å; K53-I64 VanDerWaalsContact N-O 3.09Å; K53-I64 PolarHBondContact O-N 2.78Å
54K97.4Very high88.9Confident123 Ų12372.8 Ų72.854%0.53538%0.384SS..EExtended strand (participates in β ladder)trans-89.5135.2167.6-66.2-175.2170.5-162.40108.9L12 E61 V62L12-K54 HydrophobicContact CD1-CD 3.95Å; L12-K54 HydrophobicContact CD1-CG 4.27Å; K54-E61 WeakPolarHBondContact CD-OE1 3.37Å; K54-E61 IonicContact NZ-OE1 3.67Å; K54-E61 PolarHBondContact NZ-OE1 2.77Å; K54-V62 WeakPolarHBondContact CA-O 3.3Å
55V97.1Very high90.4Very high15 Ų1565.7 Ų65.79%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-140.7157.5-177.5-62.70000109.8F34 K53 V62 I64 F170 M173F34-V55 HydrophobicContact CZ-CG1 4.16Å; K53-V55 HydrophobicContact CD-CG1 4.35Å; K53-V55 HydrophobicContact CG-CG1 4.01Å; V55-V62 HydrophobicContact CG2-CG2 3.68Å; V55-V62 PolarHBondContact N-O 2.74Å; V55-V62 PolarHBondContact O-N 2.79Å; V55-V62 VanDerWaalsContact O-O 3.12Å; V55-I64 HydrophobicContact CG1-CG2 4.4Å; V55-I64 HydrophobicContact CG2-CG2 4.48Å; V55-F170 HydrophobicContact CB-CE1 4.27Å; V55-F170 HydrophobicContact CB-CZ 4.15Å; V55-F170 HydrophobicContact CG1-CZ 4.49Å; V55-F170 HydrophobicContact CG2-CE1 4.34Å; V55-M173 HydrophobicContact CG2-CE 3.92Å; V55-M173 HydrophobicContact CG2-SD 4.02Å
56V97.4Very high91.7Very high94 Ų9459.5 Ų59.557%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-98.4108.2173.1-1800000108.3E60 F170V56-E60 CarbonylContact C-O 3.54Å; V56-E60 WeakPolarHBondContact CA-O 3.21Å; V56-F170 WeakPolarHBondContact O-CE1 3.38Å
57L97.1Very high93.2Very high0 Ų060.1 Ų60.10%031%0.314CS..EExtended strand (participates in β ladder)trans-99.7103.7178.818068.6000109.7G59 E60 V62 F170 M173 R174 R177L57-G59 VanDerWaalsContact C-N 3.25Å; L57-G59 PolarHBondContact O-N 3.32Å; L57-E60 PolarHBondContact N-O 2.73Å; L57-E60 PolarHBondContact O-N 3.28Å; L57-E60 VanDerWaalsContact O-N 3.13Å; L57-V62 HydrophobicContact CB-CG1 4.37Å; L57-V62 HydrophobicContact CB-CG2 3.63Å; L57-V62 HydrophobicContact CD2-CG2 4.29Å; L57-F170 HydrophobicContact CD1-CD1 3.66Å; L57-F170 HydrophobicContact CD1-CE1 4.39Å; L57-M173 HydrophobicContact CD1-CB 4.14Å; L57-M173 HydrophobicContact CD1-CE 4.4Å; L57-M173 HydrophobicContact CD2-CB 3.89Å; L57-R174 HydrophobicContact CD1-CG 3.91Å; L57-R177 PolarHBondContact O-NH1 2.97Å
58D95.3Very high94.3Very high89 Ų8951 Ų5148%0.47627%0.274SS..THydrogen-bonded Turntrans52.441.5180-49.4-37.2000113.3R174 R177D58-R174 IonicContact OD1-CZ 3.87Å; D58-R174 IonicContact OD1-NE 2.68Å; D58-R174 PolarHBondContact OD1-NE 2.84Å; D58-R174 VanDerWaalsContact OD1-NE 3.12Å; D58-R174 IonicContact OD1-NH2 2.86Å; D58-R174 PolarHBondContact OD1-NH2 2.7Å; D58-R174 IonicContact OD2-NE 2.8Å; D58-R174 PolarHBondContact OD2-NE 3.26Å; D58-R174 VanDerWaalsContact OD2-NE 3.14Å; D58-R177 IonicContact OD2-CZ 2.53Å; D58-R177 IonicContact OD2-NH1 3.92Å; D58-R177 PolarHBondContact OD2-NH1 2.93Å; D58-R177 IonicContact OD2-NH2 2.74Å; D58-R177 PolarHBondContact OD2-NH2 3.46Å
59G94.7Very high94.9Very high72 Ų7250 Ų5074%0.74227%0.266SS*.THydrogen-bonded Turntrans90.7-5.3178.800000115.4L57L57-G59 VanDerWaalsContact C-N 3.25Å; L57-G59 PolarHBondContact O-N 3.32Å
60E95Very high94.5Very high95 Ų9547.7 Ų47.744%0.44426%0.257SS..EExtended strand (participates in β ladder)trans-104.6129.6177-170.8179.8175.900111.1V56 L57 V62V56-E60 CarbonylContact C-O 3.54Å; V56-E60 WeakPolarHBondContact CA-O 3.21Å; L57-E60 PolarHBondContact N-O 2.73Å; L57-E60 PolarHBondContact O-N 3.28Å; L57-E60 VanDerWaalsContact O-N 3.13Å; E60-V62 HydrophobicContact CB-CG1 4.47Å; E60-V62 HydrophobicContact CG-CG1 4.13Å; E60-V62 PolarHBondContact O-N 2.86Å
61E97.1Very high93.3Very high95 Ų9545 Ų4544%0.44424%0.241SC..EExtended strand (participates in β ladder)trans-71.4119.4171.9-168.6-174.6177.600109.3L12 K54L12-E61 HydrophobicContact CD1-CG 4.17Å; L12-E61 HydrophobicContact CD2-CB 4.11Å; L12-E61 HydrophobicContact CD2-CG 4.02Å; L12-E61 WeakPolarHBondContact CD2-O 3.5Å; K54-E61 WeakPolarHBondContact CD-OE1 3.37Å; K54-E61 IonicContact NZ-OE1 3.67Å; K54-E61 PolarHBondContact NZ-OE1 2.77Å
62V97.3Very high91.9Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-130.2168.9178-56.60000109.8A13 K54 V55 L57 E60 M173A13-V62 HydrophobicContact CB-CB 4.48Å; A13-V62 HydrophobicContact CB-CG1 4.11Å; K54-V62 WeakPolarHBondContact CA-O 3.3Å; V55-V62 HydrophobicContact CG2-CG2 3.68Å; V55-V62 PolarHBondContact N-O 2.74Å; V55-V62 PolarHBondContact O-N 2.79Å; V55-V62 VanDerWaalsContact O-O 3.12Å; L57-V62 HydrophobicContact CB-CG1 4.37Å; L57-V62 HydrophobicContact CB-CG2 3.63Å; L57-V62 HydrophobicContact CD2-CG2 4.29Å; E60-V62 HydrophobicContact CB-CG1 4.47Å; E60-V62 HydrophobicContact CG-CG1 4.13Å; E60-V62 PolarHBondContact O-N 2.86Å; V62-M173 HydrophobicContact CG2-SD 4.41Å
63Q97.6Very high90.4Very high47 Ų4745.6 Ų45.622%0.2225%0.25CS..EExtended strand (participates in β ladder)trans-117.6131.4175.1-167.5163.94300109.5A13 L14 H15 R52 K53A13-Q63 PolarHBondContact O-N 2.93Å; L14-Q63 CarbonylContact C-O 3.49Å; L14-Q63 VanDerWaalsContact CA-O 3.31Å; L14-Q63 WeakPolarHBondContact CA-O 3.34Å; L14-Q63 HydrophobicContact CD1-CB 3.87Å; L14-Q63 HydrophobicContact CD1-CG 3.76Å; H15-Q63 PolarHBondContact N-O 3.42Å; R52-Q63 HydrophobicContact CG-CG 3.54Å; R52-Q63 VanDerWaalsContact CG-NE2 3.33Å; K53-Q63 WeakPolarHBondContact O-CA 3.32Å
64I98Very high88.8Confident0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-103.9137.9171.4-171.8177.5000108.9H15 V17 F34 R52 K53 V55 I66 F169 M173H15-I64 WeakPolarHBondContact O-CA 3.38Å; V17-I64 HydrophobicContact CB-CD1 4.47Å; V17-I64 HydrophobicContact CG2-CD1 3.97Å; V17-I64 HydrophobicContact CG2-CG1 4.13Å; F34-I64 HydrophobicContact CE1-CD1 4.11Å; F34-I64 HydrophobicContact CE1-CG2 3.91Å; F34-I64 HydrophobicContact CZ-CD1 4.47Å; F34-I64 HydrophobicContact CZ-CG2 4.42Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.27Å; R52-I64 WeakPolarHBondContact CG-O 3.08Å; K53-I64 HydrophobicContact CB-CG2 4.14Å; K53-I64 PolarHBondContact N-O 2.85Å; K53-I64 VanDerWaalsContact N-O 3.09Å; K53-I64 PolarHBondContact O-N 2.78Å; V55-I64 HydrophobicContact CG1-CG2 4.4Å; V55-I64 HydrophobicContact CG2-CG2 4.48Å; I64-I66 HydrophobicContact CD1-CD1 4Å; I64-I66 HydrophobicContact CD1-CG1 3.75Å; I64-I66 HydrophobicContact CG1-CD1 4.48Å; I64-I66 HydrophobicContact CG1-CG1 3.85Å; I64-F169 HydrophobicContact CD1-CB 4.39Å; I64-F169 HydrophobicContact CD1-CD1 4.01Å; I64-M173 HydrophobicContact CB-SD 3.78Å; I64-M173 HydrophobicContact CD1-CE 4.27Å; I64-M173 HydrophobicContact CD1-CG 4.08Å; I64-M173 HydrophobicContact CD1-SD 3.82Å; I64-M173 HydrophobicContact CG1-CG 4.44Å; I64-M173 HydrophobicContact CG1-SD 4.02Å
65D97.8Very high87.5Confident19 Ų1952.2 Ų52.210%0.10228%0.283CS..EExtended strand (participates in β ladder)trans-120.4108.9173-169.5-18.9000107.6L14 H15 K16 V17 S50 Y51 R52L14-D65 HydrophobicContact CD1-CB 3.96Å; H15-D65 PolarHBondContact O-N 3.25Å; K16-D65 CarbonylContact C-O 3.57Å; K16-D65 WeakPolarHBondContact CA-O 3.4Å; K16-D65 HydrophobicContact CG-CB 4.37Å; V17-D65 PolarHBondContact N-O 3.31Å; S50-D65 PolarHBondContact OG-OD1 3.27Å; Y51-D65 CarbonylContact O-C 3.56Å; Y51-D65 WeakPolarHBondContact O-CA 3.1Å; R52-D65 IonicContact CZ-OD2 3.43Å; R52-D65 IonicContact NE-OD2 3.27Å; R52-D65 PolarHBondContact NE-OD2 3.33Å; R52-D65 IonicContact NH2-OD2 3.5Å; R52-D65 PolarHBondContact NH2-OD2 2.81Å
66I97.7Very high86.5Confident0 Ų053.8 Ų53.80%030%0.297CS..EExtended strand (participates in β ladder)trans-102.6119.5-176.9-54.4168.7000107.7V17 M19 T31 F34 M35 S50 Y51 I64 F169V17-I66 CarbonylContact O-C 3.49Å; V17-I66 WeakPolarHBondContact O-CA 3.13Å; M19-I66 HydrophobicContact CG-CG2 3.71Å; M19-I66 HydrophobicContact SD-CG2 4.06Å; T31-I66 HydrophobicContact CG2-CB 4.25Å; T31-I66 HydrophobicContact CG2-CD1 4.32Å; T31-I66 HydrophobicContact CG2-CG2 3.78Å; F34-I66 HydrophobicContact CD1-CD1 3.58Å; F34-I66 HydrophobicContact CE1-CD1 3.9Å; M35-I66 HydrophobicContact SD-CD1 4.19Å; S50-I66 CarbonylContact C-O 3.39Å; S50-I66 WeakPolarHBondContact CA-O 3.31Å; Y51-I66 PolarHBondContact N-O 3.27Å; Y51-I66 PolarHBondContact O-N 3.47Å; I64-I66 HydrophobicContact CD1-CD1 4Å; I64-I66 HydrophobicContact CD1-CG1 3.75Å; I64-I66 HydrophobicContact CG1-CD1 4.48Å; I64-I66 HydrophobicContact CG1-CG1 3.85Å; I66-F169 HydrophobicContact CD1-CD1 3.91Å; I66-F169 HydrophobicContact CD1-CE1 3.57Å; I66-F169 HydrophobicContact CD1-CZ 4.19Å; I66-F169 HydrophobicContact CG1-CD1 4.41Å; I66-F169 HydrophobicContact CG1-CE1 4.12Å; I66-F169 HydrophobicContact CG2-CE1 4.21Å
67L95.4Very high85.6Confident24 Ų2452.6 Ų52.613%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-92.5108.4167.5-174.569.6000109.3V17 I18 M19 T69 Y82V17-L67 PolarHBondContact O-N 3.33Å; I18-L67 HydrophobicContact CD1-CB 3.7Å; I18-L67 HydrophobicContact CD1-CD2 3.89Å; I18-L67 HydrophobicContact CD1-CG 4.45Å; I18-L67 HydrophobicContact CG2-CD2 4.44Å; M19-L67 PolarHBondContact N-O 2.88Å; L67-T69 HydrophobicContact CD2-CG2 4.33Å; L67-T69 HydrophobicContact CG-CG2 4.29Å; L67-Y82 HydrophobicContact CD2-CD1 3.44Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.44Å; L67-Y82 HydrophobicContact CD2-CD2 3.98Å; L67-Y82 HydrophobicContact CD2-CE1 4.04Å; L67-Y82 HydrophobicContact CD2-CG 3.42Å; L67-Y82 VanDerWaalsContact CD2-CG 3.42Å
68D90.8Very high84.7Confident0 Ų056 Ų560%032%0.315CS..EExtended strand (participates in β ladder)trans-83.1126.6168.6-175.842.2000109.6K27 S28 T46 A48 D49 Y51K27-D68 VanDerWaalsContact CB-OD1 3.3Å; K27-D68 WeakPolarHBondContact CB-OD1 3.5Å; S28-D68 WeakPolarHBondContact CA-OD2 3.47Å; S28-D68 WeakPolarHBondContact CB-OD2 3.26Å; S28-D68 PolarHBondContact N-OD1 3.27Å; S28-D68 PolarHBondContact OG-OD1 3.43Å; S28-D68 PolarHBondContact OG-OD2 2.74Å; T46-D68 PolarHBondContact OG1-OD2 2.9Å; A48-D68 CarbonylContact C-O 3.57Å; A48-D68 VanDerWaalsContact CA-O 3.25Å; A48-D68 WeakPolarHBondContact CA-O 3.37Å; D49-D68 PolarHBondContact N-O 3.02Å; D49-D68 PolarHBondContact O-N 3.46Å; Y51-D68 HydrophobicContact CD2-CB 4.44Å; Y51-D68 HydrophobicContact CE2-CB 4.1Å
69T85.8Confident84.1Confident7 Ų753.8 Ų53.84%0.04330%0.3CS..EExtended strand (participates in β ladder)trans-110.5154.1-177.365.90000110.3I18 M19 K27 L67 G71 E73I18-T69 HydrophobicContact CG2-CG2 4.31Å; M19-T69 WeakPolarHBondContact O-CG2 3.33Å; M19-T69 PolarHBondContact O-OG1 2.81Å; K27-T69 WeakPolarHBondContact CE-O 3.46Å; L67-T69 HydrophobicContact CD2-CG2 4.33Å; L67-T69 HydrophobicContact CG-CG2 4.29Å; T69-G71 PolarHBondContact O-N 3.47Å; T69-E73 WeakPolarHBondContact CB-OE1 3.36Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.45Å
70A75.9Confident83.9Confident27 Ų2752 Ų5222%0.22327%0.273CS..  trans-57.8-34.517200000112.2K27 T46 Q72K27-A70 PolarHBondContact NZ-O 2.84Å; K27-A70 VanDerWaalsContact NZ-O 3.12Å; T46-A70 WeakPolarHBondContact O-CA 3.41Å; T46-A70 WeakPolarHBondContact O-CB 3.3Å; A70-Q72 VanDerWaalsContact C-N 3.26Å
71G66.7Low83.5Confident16 Ų1651.8 Ų51.817%0.16528%0.275CS..SBendtrans77.89.2-165.100000114G21 T69G21-G71 WeakPolarHBondContact O-CA 3.47Å; T69-G71 PolarHBondContact O-N 3.47Å
72Q65.1Low83.2Confident144 Ų14450.3 Ų50.367%0.67327%0.266SS*.  trans-134.141177.9-67.1-175.2-19.300110.7A70 D74A70-Q72 VanDerWaalsContact C-N 3.26Å; Q72-D74 PolarHBondContact O-N 2.98Å
73E64.5Low82.9Confident30 Ų3050.6 Ų50.614%0.1427%0.267CS..  trans-72.696.9-176.4-64.4-175.3-169.800110.9T69 Y75 R79 Y82T69-E73 WeakPolarHBondContact CB-OE1 3.36Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.45Å; E73-Y75 PolarHBondContact O-N 3.07Å; E73-Y75 VanDerWaalsContact O-N 3.12Å; E73-R79 HydrophobicContact CB-CB 4.34Å; E73-R79 PolarHBondContact O-NH1 3.17Å; E73-R79 WeakPolarHBondContact OE2-CA 3.36Å; E73-R79 WeakPolarHBondContact OE2-CB 3.4Å; E73-R79 PolarHBondContact OE2-N 3.1Å; E73-Y82 VanDerWaalsContact CD-CE2 3.49Å; E73-Y82 VanDerWaalsContact OE1-CD2 3.3Å; E73-Y82 WeakPolarHBondContact OE1-CD2 3.41Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.27Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.17Å; E73-Y82 VanDerWaalsContact OE2-CE2 3.28Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.24Å
74D61.3Low82.7Confident152 Ų15254.6 Ų54.681%0.81328%0.28SS*.  trans-59.8-20.6-177.4-66.9-38.4000113.7Q72Q72-D74 PolarHBondContact O-N 2.98Å
75Y70.7Confident82.4Confident170 Ų17057.3 Ų57.367%0.66730%0.299SS*.  trans-106.5102.3-179.2-64.9-78.3000111.7E73 A77 I78 R79E73-Y75 PolarHBondContact O-N 3.07Å; E73-Y75 VanDerWaalsContact O-N 3.12Å; Y75-A77 PolarHBondContact O-N 3.42Å; Y75-A77 VanDerWaalsContact O-N 3.08Å; Y75-I78 HydrophobicContact CD2-CD1 4.3Å; Y75-I78 HydrophobicContact CG-CD1 4.31Å; Y75-I78 PolarHBondContact O-N 2.87Å; Y75-R79 PolarHBondContact O-N 2.87Å
76A75.2Confident82.3Confident48 Ų4856.4 Ų56.440%0.39729%0.294SS..Hα-helixtrans-52-34.9179.800000113.9I78 R79 D80A76-I78 PolarHBondContact O-N 3.32Å; A76-R79 PolarHBondContact O-N 3.44Å; A76-D80 WeakPolarHBondContact O-CB 2.95Å; A76-D80 PolarHBondContact O-N 3.31Å
77A78.6Confident82.3Confident69 Ų6958.9 Ų58.957%0.5731%0.306SS*.Hα-helixtrans-66.2-34.817900000113.5Y75 N81Y75-A77 PolarHBondContact O-N 3.42Å; Y75-A77 VanDerWaalsContact O-N 3.08Å; A77-N81 VanDerWaalsContact O-CG 3.22Å; A77-N81 PolarHBondContact O-N 3.29Å; A77-N81 PolarHBondContact O-ND2 3.36Å
78I78.4Confident82.4Confident73 Ų7357.7 Ų57.737%0.37430%0.3SS..Hα-helixtrans-70.1-47177.4-70.2168.5000109.1Y75 A76 D80 N81 Y82Y75-I78 HydrophobicContact CD2-CD1 4.3Å; Y75-I78 HydrophobicContact CG-CD1 4.31Å; Y75-I78 PolarHBondContact O-N 2.87Å; A76-I78 PolarHBondContact O-N 3.32Å; I78-D80 PolarHBondContact O-N 3.15Å; I78-N81 WeakPolarHBondContact O-CB 3.38Å; I78-N81 PolarHBondContact O-N 3.42Å; I78-N81 VanDerWaalsContact O-N 3.08Å; I78-Y82 HydrophobicContact CG2-CD2 4.07Å; I78-Y82 HydrophobicContact CG2-CE1 4.25Å; I78-Y82 HydrophobicContact CG2-CE2 3.27Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.42Å; I78-Y82 PolarHBondContact O-N 2.96Å; I78-Y82 VanDerWaalsContact O-N 3.09Å
79R83.5Confident82.8Confident42 Ų4257.8 Ų57.816%0.15830%0.3CS..Hα-helixtrans-57.7-47.5176.6-171.6169.269.9-116.311.3112.8E73 Y75 A76 N81 Y82 F83 Q110E73-R79 HydrophobicContact CB-CB 4.34Å; E73-R79 PolarHBondContact O-NH1 3.17Å; E73-R79 WeakPolarHBondContact OE2-CA 3.36Å; E73-R79 WeakPolarHBondContact OE2-CB 3.4Å; E73-R79 PolarHBondContact OE2-N 3.1Å; Y75-R79 PolarHBondContact O-N 2.87Å; A76-R79 PolarHBondContact O-N 3.44Å; R79-N81 PolarHBondContact O-N 3.07Å; R79-Y82 WeakPolarHBondContact O-CB 3.39Å; R79-Y82 PolarHBondContact O-N 3.43Å; R79-Y82 VanDerWaalsContact O-N 3.15Å; R79-F83 HydrophobicContact CG-CD2 4.21Å; R79-F83 HydrophobicContact CG-CE1 4.05Å; R79-F83 HydrophobicContact CG-CE2 3.64Å; R79-F83 HydrophobicContact CG-CZ 3.55Å; R79-F83 WeakPolarHBondContact O-CG 3.25Å; R79-F83 PolarHBondContact O-N 2.92Å; R79-Q110 VanDerWaalsContact NH2-NE2 3.16Å
80D88.6Confident83.4Confident33 Ų3357.4 Ų57.418%0.17630%0.298CS..Hα-helixtrans-61.2-33.5177.3-78.73.6000111.7A76 I78 R84 R113 V114A76-D80 WeakPolarHBondContact O-CB 2.95Å; A76-D80 PolarHBondContact O-N 3.31Å; I78-D80 PolarHBondContact O-N 3.15Å; D80-R84 VanDerWaalsContact O-CB 3.24Å; D80-R84 WeakPolarHBondContact O-CB 3.46Å; D80-R84 PolarHBondContact O-N 3.38Å; D80-R84 PolarHBondContact O-NH1 3.5Å; D80-R113 IonicContact OD1-NH2 2.76Å; D80-R113 PolarHBondContact OD1-NH2 3.27Å; D80-R113 IonicContact OD2-NH2 2.69Å; D80-V114 HydrophobicContact CB-CG2 4.04Å; D80-V114 VanDerWaalsContact OD1-CG2 3.31Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.41Å
81N88.1Confident84.4Confident92 Ų9256.1 Ų56.149%0.49229%0.288SS..Hα-helixtrans-67.9-42.8175.2-73.1-23.8000112A77 I78 R79 R84 S85A77-N81 VanDerWaalsContact O-CG 3.22Å; A77-N81 PolarHBondContact O-N 3.29Å; A77-N81 PolarHBondContact O-ND2 3.36Å; I78-N81 WeakPolarHBondContact O-CB 3.38Å; I78-N81 PolarHBondContact O-N 3.42Å; I78-N81 VanDerWaalsContact O-N 3.08Å; R79-N81 PolarHBondContact O-N 3.07Å; N81-R84 PolarHBondContact O-N 2.99Å; N81-R84 PolarHBondContact OD1-NH1 2.78Å; N81-S85 WeakPolarHBondContact O-CB 3.24Å; N81-S85 PolarHBondContact O-N 3.11Å; N81-S85 PolarHBondContact O-OG 3.49Å
82Y89.3Confident85.9Confident64 Ų6455.4 Ų55.425%0.25128%0.28SS..Hα-helixtrans-60.1-49.7174.6-60.8-33.5000111A48 L67 E73 I78 R79 R84 S85 G86A48-Y82 HydrophobicContact CB-CE2 4.45Å; L67-Y82 HydrophobicContact CD2-CD1 3.44Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.44Å; L67-Y82 HydrophobicContact CD2-CD2 3.98Å; L67-Y82 HydrophobicContact CD2-CE1 4.04Å; L67-Y82 HydrophobicContact CD2-CG 3.42Å; L67-Y82 VanDerWaalsContact CD2-CG 3.42Å; E73-Y82 VanDerWaalsContact CD-CE2 3.49Å; E73-Y82 VanDerWaalsContact OE1-CD2 3.3Å; E73-Y82 WeakPolarHBondContact OE1-CD2 3.41Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.27Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.17Å; E73-Y82 VanDerWaalsContact OE2-CE2 3.28Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.24Å; I78-Y82 HydrophobicContact CG2-CD2 4.07Å; I78-Y82 HydrophobicContact CG2-CE1 4.25Å; I78-Y82 HydrophobicContact CG2-CE2 3.27Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.42Å; I78-Y82 PolarHBondContact O-N 2.96Å; I78-Y82 VanDerWaalsContact O-N 3.09Å; R79-Y82 WeakPolarHBondContact O-CB 3.39Å; R79-Y82 PolarHBondContact O-N 3.43Å; R79-Y82 VanDerWaalsContact O-N 3.15Å; Y82-R84 PolarHBondContact O-N 3.28Å; Y82-S85 PolarHBondContact O-N 2.98Å; Y82-S85 VanDerWaalsContact O-N 3.16Å; Y82-S85 PolarHBondContact O-OG 3.47Å; Y82-G86 PolarHBondContact O-N 3.18Å
83F92.1Very high87.5Confident6 Ų648.5 Ų48.53%0.02625%0.248CC..Hα-helixtrans-60.2-47.1178.8-66.3-7.5000111.3I18 V20 R79 S85 G86 F89 Q110 I111 V114 K115I18-F83 HydrophobicContact CG2-CD1 4.4Å; I18-F83 HydrophobicContact CG2-CE1 4.45Å; V20-F83 HydrophobicContact CG1-CE1 4.3Å; V20-F83 HydrophobicContact CG1-CZ 4.09Å; V20-F83 HydrophobicContact CG2-CE1 3.72Å; V20-F83 HydrophobicContact CG2-CZ 4.31Å; R79-F83 HydrophobicContact CG-CD2 4.21Å; R79-F83 HydrophobicContact CG-CE1 4.05Å; R79-F83 HydrophobicContact CG-CE2 3.64Å; R79-F83 HydrophobicContact CG-CZ 3.55Å; R79-F83 WeakPolarHBondContact O-CG 3.25Å; R79-F83 PolarHBondContact O-N 2.92Å; F83-S85 VanDerWaalsContact C-N 3.25Å; F83-S85 PolarHBondContact O-N 3.04Å; F83-G86 PolarHBondContact O-N 3.21Å; F83-G86 VanDerWaalsContact O-N 3.16Å; F83-F89 HydrophobicContact CB-CE1 4.15Å; F83-F89 HydrophobicContact CB-CZ 4.35Å; F83-F89 AromaticContact CD1-CE1 3.81Å; F83-F89 HydrophobicContact CD1-CE1 3.81Å; F83-F89 HydrophobicContact CG-CE1 4.15Å; F83-F89 WeakPolarHBondContact O-CZ 3.49Å; F83-Q110 HydrophobicContact CD2-CB 4.48Å; F83-Q110 HydrophobicContact CE2-CB 3.89Å; F83-I111 HydrophobicContact CD2-CG1 4.15Å; F83-I111 HydrophobicContact CE2-CG1 4.1Å; F83-I111 HydrophobicContact CG-CG1 4.38Å; F83-I111 HydrophobicContact CZ-CG1 4.29Å; F83-V114 HydrophobicContact CB-CB 4.1Å; F83-V114 HydrophobicContact CB-CG1 3.84Å; F83-V114 HydrophobicContact CB-CG2 4.35Å; F83-V114 HydrophobicContact CD2-CG2 4.32Å; F83-K115 WeakPolarHBondContact O-CE 3.02Å; F83-K115 PolarHBondContact O-NZ 2.95Å
84R93.5Very high89.2Confident130 Ų13047.1 Ų47.149%0.49124%0.241SC..Hα-helixtrans-58-39.4177.9-167.8175.9-62.7994.9112.3D80 N81 Y82 V114 K115D80-R84 VanDerWaalsContact O-CB 3.24Å; D80-R84 WeakPolarHBondContact O-CB 3.46Å; D80-R84 PolarHBondContact O-N 3.38Å; D80-R84 PolarHBondContact O-NH1 3.5Å; N81-R84 PolarHBondContact O-N 2.99Å; N81-R84 PolarHBondContact OD1-NH1 2.78Å; Y82-R84 PolarHBondContact O-N 3.28Å; R84-V114 HydrophobicContact CB-CG1 3.85Å; R84-K115 PolarHBondContact O-NZ 3.07Å
85S92.1Very high90.9Very high57 Ų5739.9 Ų39.940%0.39920%0.202SC..Hα-helixtrans-78-22.1-179.378.20000114.6K16 N81 Y82 F83K16-S85 VanDerWaalsContact CD-O 3.3Å; K16-S85 WeakPolarHBondContact CD-O 3.4Å; N81-S85 WeakPolarHBondContact O-CB 3.24Å; N81-S85 PolarHBondContact O-N 3.11Å; N81-S85 PolarHBondContact O-OG 3.49Å; Y82-S85 PolarHBondContact O-N 2.98Å; Y82-S85 VanDerWaalsContact O-N 3.16Å; Y82-S85 PolarHBondContact O-OG 3.47Å; F83-S85 VanDerWaalsContact C-N 3.25Å; F83-S85 PolarHBondContact O-N 3.04Å
86G95.3Very high92.3Very high0 Ų032.9 Ų32.90%018%0.178CC..  trans-70.4141.9179.200000112.7Y82 F83 K115Y82-G86 PolarHBondContact O-N 3.18Å; F83-G86 PolarHBondContact O-N 3.21Å; F83-G86 VanDerWaalsContact O-N 3.16Å; G86-K115 WeakPolarHBondContact O-CE 2.96Å; G86-K115 PolarHBondContact O-NZ 3.15Å
87E97.2Very high93.3Very high52 Ų5233.9 Ų33.924%0.24317%0.174CC..SBendtrans-103.1-25.9177-62.7175.8148.700112H15 K16 P122 V176 K180H15-E87 VanDerWaalsContact CA-OE2 3.32Å; H15-E87 WeakPolarHBondContact CA-OE2 3.35Å; K16-E87 HydrophobicContact CB-CB 4.4Å; K16-E87 HydrophobicContact CB-CG 4.07Å; K16-E87 PolarHBondContact N-OE2 2.81Å; K16-E87 PolarHBondContact O-N 3.27Å; E87-P122 WeakPolarHBondContact O-CD 3.36Å; E87-P122 WeakPolarHBondContact O-CG 3.49Å; E87-V176 HydrophobicContact CB-CG1 3.75Å; E87-V176 HydrophobicContact CB-CG2 4.37Å; E87-K180 WeakPolarHBondContact OE1-CE 3.21Å; E87-K180 IonicContact OE1-NZ 2.82Å; E87-K180 PolarHBondContact OE1-NZ 3.18Å; E87-K180 VanDerWaalsContact OE2-CE 3.31Å; E87-K180 WeakPolarHBondContact OE2-CE 3.27Å; E87-K180 IonicContact OE2-NZ 3.43Å; E87-K180 PolarHBondContact OE2-NZ 3.42Å
88G97.9Very high94.3Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-146.8157.9171.800000112.1K16 V17 I18 P122K16-G88 PolarHBondContact O-N 3.13Å; K16-G88 VanDerWaalsContact O-N 3.09Å; V17-G88 WeakPolarHBondContact CA-O 3.42Å; I18-G88 PolarHBondContact N-O 2.87Å; G88-P122 WeakPolarHBondContact CA-O 3.18Å
89F98.3Very high95.2Very high1 Ų138 Ų380%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-128.6128.9-172.4-60.4-92.2000111I18 V20 F83 I111 K115 I121 P122 L123 L124I18-F89 HydrophobicContact CB-CD1 3.88Å; I18-F89 HydrophobicContact CB-CE1 4.1Å; I18-F89 HydrophobicContact CG1-CD1 4.26Å; I18-F89 HydrophobicContact CG1-CE1 4.03Å; I18-F89 WeakPolarHBondContact O-CA 3.25Å; V20-F89 HydrophobicContact CG2-CD1 4.04Å; F83-F89 HydrophobicContact CB-CE1 4.15Å; F83-F89 HydrophobicContact CB-CZ 4.35Å; F83-F89 AromaticContact CD1-CE1 3.81Å; F83-F89 HydrophobicContact CD1-CE1 3.81Å; F83-F89 HydrophobicContact CG-CE1 4.15Å; F83-F89 WeakPolarHBondContact O-CZ 3.49Å; F89-I111 HydrophobicContact CB-CD1 4.11Å; F89-I111 HydrophobicContact CD1-CD1 3.74Å; F89-I111 HydrophobicContact CD1-CG1 3.94Å; F89-I111 HydrophobicContact CD1-CG2 4.32Å; F89-I111 HydrophobicContact CD2-CG2 3.92Å; F89-I111 HydrophobicContact CE1-CD1 4.35Å; F89-I111 HydrophobicContact CE1-CG1 4.02Å; F89-I111 HydrophobicContact CE1-CG2 4.19Å; F89-I111 HydrophobicContact CE2-CG2 3.79Å; F89-I111 HydrophobicContact CG-CD1 3.95Å; F89-I111 HydrophobicContact CG-CG1 4.41Å; F89-I111 HydrophobicContact CG-CG2 4.19Å; F89-I111 HydrophobicContact CZ-CG2 3.92Å; F89-K115 HydrophobicContact CE2-CG 4.36Å; F89-K115 HydrophobicContact CZ-CG 4.33Å; F89-I121 HydrophobicContact CD2-CG2 3.71Å; F89-I121 HydrophobicContact CE2-CG2 3.76Å; F89-P122 PolarHBondContact N-O 3.23Å; F89-L123 HydrophobicContact CB-CD1 3.55Å; F89-L123 WeakPolarHBondContact O-CA 3.33Å; F89-L124 PolarHBondContact O-N 3.44Å
90L98.6Very high95.9Very high0 Ų036.1 Ų36.10%017%0.173CC..EExtended strand (participates in β ladder)trans-99111.2164.1-68.5-177.5000107.9V17 I18 M19 V20 V92 L124 V126 V168 F169 L172V17-L90 HydrophobicContact CG1-CD1 4.34Å; V17-L90 HydrophobicContact CG1-CG 4.18Å; I18-L90 PolarHBondContact O-N 2.79Å; M19-L90 HydrophobicContact CE-CB 4.37Å; M19-L90 HydrophobicContact CE-CD1 4.17Å; M19-L90 HydrophobicContact SD-CB 3.96Å; M19-L90 HydrophobicContact SD-CD1 3.76Å; M19-L90 HydrophobicContact SD-CG 4.32Å; V20-L90 PolarHBondContact N-O 3.09Å; L90-V92 HydrophobicContact CB-CG2 4.24Å; L90-V92 PolarHBondContact O-N 3.16Å; L90-L124 HydrophobicContact CD2-CB 3.66Å; L90-L124 HydrophobicContact CD2-CD2 4.26Å; L90-V126 HydrophobicContact CB-CG2 4.49Å; L90-V126 HydrophobicContact CD2-CG2 4.01Å; L90-V168 HydrophobicContact CD1-CB 4.46Å; L90-V168 HydrophobicContact CD1-CG2 4.12Å; L90-V168 HydrophobicContact CD2-CB 4.17Å; L90-F169 HydrophobicContact CD1-CD1 3.71Å; L90-F169 HydrophobicContact CD1-CE1 3.54Å; L90-F169 HydrophobicContact CD1-CE2 4.47Å; L90-F169 HydrophobicContact CD1-CG 4.25Å; L90-F169 HydrophobicContact CD1-CZ 3.96Å; L90-L172 HydrophobicContact CD2-CB 4.09Å; L90-L172 HydrophobicContact CD2-CD2 3.67Å; L90-L172 HydrophobicContact CD2-CG 4.42Å; L90-L172 HydrophobicContact CG-CD2 3.64Å
91L97.9Very high96.3Very high0 Ų035 Ų350%017%0.166CC..EExtended strand (participates in β ladder)trans-93.995178.9-176.256.9000109V20 T104 F107 R108 L123 L124 V126 W150V20-L91 HydrophobicContact CB-CD1 4.26Å; V20-L91 HydrophobicContact CG1-CD1 4.12Å; V20-L91 CarbonylContact O-C 3.42Å; V20-L91 WeakPolarHBondContact O-CA 3.39Å; L91-T104 HydrophobicContact CD1-CG2 4.31Å; L91-T104 HydrophobicContact CD2-CG2 4.44Å; L91-T104 HydrophobicContact CG-CG2 4.06Å; L91-F107 HydrophobicContact CD1-CB 3.57Å; L91-F107 HydrophobicContact CD1-CD2 4.29Å; L91-F107 HydrophobicContact CD1-CG 4.21Å; L91-R108 HydrophobicContact CD2-CB 4.25Å; L91-L123 HydrophobicContact CB-CD1 3.93Å; L91-L123 HydrophobicContact CD2-CD1 4.44Å; L91-L124 PolarHBondContact N-O 2.86Å; L91-V126 PolarHBondContact O-N 2.91Å; L91-W150 HydrophobicContact CD2-CH2 4.21Å; L91-W150 HydrophobicContact CD2-CZ3 3.78Å
92V98.5Very high96.8Very high0 Ų033.1 Ų33.10%016%0.161CC..EExtended strand (participates in β ladder)trans-96.2132-169.8-169.10000110.5M19 V20 G21 V25 K27 L30 L90 V126 N128M19-V92 HydrophobicContact CE-CG2 3.92Å; V20-V92 PolarHBondContact O-N 2.84Å; G21-V92 WeakPolarHBondContact CA-O 3.39Å; V25-V92 HydrophobicContact CB-CG1 4.43Å; V25-V92 HydrophobicContact CG2-CB 4.09Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; K27-V92 HydrophobicContact CG-CB 4.27Å; K27-V92 HydrophobicContact CG-CG2 4.43Å; L30-V92 HydrophobicContact CD1-CG1 3.85Å; L30-V92 HydrophobicContact CD1-CG2 4.16Å; L90-V92 HydrophobicContact CB-CG2 4.24Å; L90-V92 PolarHBondContact O-N 3.16Å; V92-V126 WeakPolarHBondContact CA-O 3.41Å; V92-V126 HydrophobicContact CG1-CG1 4.5Å; V92-V126 HydrophobicContact CG2-CB 4.24Å; V92-N128 HydrophobicContact CG1-CB 3.94Å
93F98.6Very high97.1Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-130170.3166.673.2-86.9000110I95 F101 T104 V125 V126 N128 V138 A143 Y154F93-I95 HydrophobicContact CE2-CG2 4.14Å; F93-F101 HydrophobicContact CB-CB 4.47Å; F93-F101 AromaticContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CB 3.69Å; F93-F101 AromaticContact CD2-CD2 3.91Å; F93-F101 HydrophobicContact CD2-CD2 3.91Å; F93-F101 HydrophobicContact CD2-CG 4.23Å; F93-F101 AromaticContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CE2 4.12Å; F93-F101 HydrophobicContact CE2-CB 4.09Å; F93-F101 AromaticContact CE2-CD2 3.76Å; F93-F101 HydrophobicContact CE2-CD2 3.76Å; F93-F101 HydrophobicContact CE2-CG 4.23Å; F93-F101 HydrophobicContact CG-CB 4.11Å; F93-F101 AromaticContact CG-CD2 3.98Å; F93-F101 HydrophobicContact CG-CD2 3.98Å; F93-F101 AromaticContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CE2 4.11Å; F93-T104 HydrophobicContact CB-CG2 3.94Å; F93-T104 HydrophobicContact CD1-CG2 4.25Å; F93-T104 HydrophobicContact CG-CG2 4.41Å; F93-V125 HydrophobicContact CD1-CG1 4.12Å; F93-V125 HydrophobicContact CE1-CG1 3.79Å; F93-V126 WeakPolarHBondContact CD1-O 3.44Å; F93-V126 PolarHBondContact N-O 2.93Å; F93-N128 PolarHBondContact O-N 3.43Å; F93-V138 HydrophobicContact CE2-CB 4.04Å; F93-V138 HydrophobicContact CE2-CG1 3.87Å; F93-V138 HydrophobicContact CE2-CG2 4.23Å; F93-V138 HydrophobicContact CZ-CG1 4.27Å; F93-A143 HydrophobicContact CE1-CB 4.46Å; F93-A143 HydrophobicContact CZ-CB 3.88Å; F93-Y154 HydrophobicContact CE1-CD2 4.38Å; F93-Y154 AromaticContact CE1-CE2 3.67Å; F93-Y154 HydrophobicContact CE1-CE2 3.67Å; F93-Y154 AromaticContact CZ-CE2 3.67Å; F93-Y154 HydrophobicContact CZ-CE2 3.67Å
94S98.4Very high97.3Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-101.7126.5175.6-1790000109.8T96 E97 S100 K129S94-T96 PolarHBondContact O-N 3.24Å; S94-T96 PolarHBondContact OG-OG1 3.03Å; S94-E97 PolarHBondContact O-N 2.68Å; S94-S100 PolarHBondContact N-OG 2.91Å; S94-S100 PolarHBondContact O-OG 3.34Å; S94-K129 VanDerWaalsContact OG-CD 3.26Å; S94-K129 WeakPolarHBondContact OG-CD 3.32Å; S94-K129 WeakPolarHBondContact OG-CE 3.22Å; S94-K129 PolarHBondContact OG-NZ 3.41Å
95I98.8Very high97.5Very high0 Ų028 Ų280%015%0.151CC..THydrogen-bonded Turntrans-62.5-19178.266.6157.9000112.8F93 N128 K129 R136 Q137 V138F93-I95 HydrophobicContact CE2-CG2 4.14Å; I95-N128 PolarHBondContact N-O 3.21Å; I95-K129 WeakPolarHBondContact CD1-O 3.5Å; I95-K129 WeakPolarHBondContact CG1-O 3.27Å; I95-R136 HydrophobicContact CD1-CB 4.41Å; I95-R136 HydrophobicContact CD1-CG 4.44Å; I95-Q137 PolarHBondContact O-N 3.21Å; I95-V138 PolarHBondContact O-N 3.25Å; I95-V138 VanDerWaalsContact O-N 3.07Å
96T98.4Very high97.6Very high24 Ų2430.6 Ų30.615%0.14716%0.157CC..THydrogen-bonded Turntrans-90.33.6179.772.70000113.8S94 K129 L132 R135 Q137S94-T96 PolarHBondContact O-N 3.24Å; S94-T96 PolarHBondContact OG-OG1 3.03Å; T96-K129 HydrophobicContact CG2-CB 4.45Å; T96-L132 HydrophobicContact CG2-CB 3.61Å; T96-L132 HydrophobicContact CG2-CD1 4.04Å; T96-L132 HydrophobicContact CG2-CG 4.47Å; T96-R135 WeakPolarHBondContact CA-O 3.43Å; T96-R135 WeakPolarHBondContact CB-O 3.3Å; T96-R135 HydrophobicContact CG2-CB 3.91Å; T96-Q137 PolarHBondContact O-NE2 3.13Å; T96-Q137 VanDerWaalsContact O-NE2 3.09Å; T96-Q137 PolarHBondContact O-OE1 3.08Å
97E98Very high97.5Very high69 Ų6931.9 Ų31.932%0.32216%0.163SC..  trans-143.197.3-174.1-176177.4-148.400109.8S94 E99 S100S94-E97 PolarHBondContact O-N 2.68Å; E97-E99 VanDerWaalsContact C-N 3.28Å; E97-E99 PolarHBondContact O-N 3.03Å; E97-S100 WeakPolarHBondContact O-CB 3.32Å; E97-S100 PolarHBondContact O-N 3.46Å; E97-S100 VanDerWaalsContact O-N 3.11Å; E97-S100 PolarHBondContact O-OG 3.35Å
98H98.1Very high97.5Very high75 Ų7532 Ų3235%0.34716%0.161SC..Hα-helixtrans-60.2-36.6-176.2-173.1-70.7000112.8S100 F101 S102 Q137 V138 E142H98-S100 PolarHBondContact O-N 3.18Å; H98-F101 WeakPolarHBondContact O-CA 3.18Å; H98-F101 WeakPolarHBondContact O-CB 3.42Å; H98-F101 PolarHBondContact O-N 3.02Å; H98-S102 PolarHBondContact CE1-OG 3.23Å; H98-S102 PolarHBondContact ND1-OG 2.9Å; H98-S102 PolarHBondContact O-N 3.12Å; H98-S102 PolarHBondContact O-OG 3.27Å; H98-Q137 HydrophobicContact CB-CB 4.23Å; H98-V138 HydrophobicContact CB-CG2 4.35Å; H98-E142 IonicContact NE2-OE1 2.73Å
99E97.6Very high97.3Very high154 Ų15438.5 Ų38.572%0.7219%0.191SC*.Hα-helixtrans-58.2-37.1177.1-65.4-177.6-178.200112.2E97 F101 S102 A103E97-E99 VanDerWaalsContact C-N 3.28Å; E97-E99 PolarHBondContact O-N 3.03Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.46Å; E99-S102 PolarHBondContact O-N 3.45Å; E99-A103 WeakPolarHBondContact O-CB 3.3Å; E99-A103 PolarHBondContact O-N 3.01Å
100S97.8Very high97.1Very high2 Ų239 Ų391%0.01419%0.193CC..Hα-helixtrans-65.8-32.8176.178.60000112.6S94 E97 H98S94-S100 PolarHBondContact N-OG 2.91Å; S94-S100 PolarHBondContact O-OG 3.34Å; E97-S100 WeakPolarHBondContact O-CB 3.32Å; E97-S100 PolarHBondContact O-N 3.46Å; E97-S100 VanDerWaalsContact O-N 3.11Å; E97-S100 PolarHBondContact O-OG 3.35Å; H98-S100 PolarHBondContact O-N 3.18Å
101F98.5Very high96.9Very high8 Ų839 Ų394%0.03519%0.194CC..Hα-helixtrans-74.2-40.6174.8177.1-111.8000111.8F93 H98 E99 A103 T104 V138 E142 A143 K146F93-F101 HydrophobicContact CB-CB 4.47Å; F93-F101 AromaticContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CB 3.69Å; F93-F101 AromaticContact CD2-CD2 3.91Å; F93-F101 HydrophobicContact CD2-CD2 3.91Å; F93-F101 HydrophobicContact CD2-CG 4.23Å; F93-F101 AromaticContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CE2 4.12Å; F93-F101 HydrophobicContact CE2-CB 4.09Å; F93-F101 AromaticContact CE2-CD2 3.76Å; F93-F101 HydrophobicContact CE2-CD2 3.76Å; F93-F101 HydrophobicContact CE2-CG 4.23Å; F93-F101 HydrophobicContact CG-CB 4.11Å; F93-F101 AromaticContact CG-CD2 3.98Å; F93-F101 HydrophobicContact CG-CD2 3.98Å; F93-F101 AromaticContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CE2 4.11Å; H98-F101 WeakPolarHBondContact O-CA 3.18Å; H98-F101 WeakPolarHBondContact O-CB 3.42Å; H98-F101 PolarHBondContact O-N 3.02Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.46Å; F101-A103 VanDerWaalsContact C-N 3.31Å; F101-A103 PolarHBondContact O-N 3.43Å; F101-T104 WeakPolarHBondContact O-CB 3.22Å; F101-T104 WeakPolarHBondContact O-CG2 3.42Å; F101-T104 PolarHBondContact O-N 3.43Å; F101-T104 VanDerWaalsContact O-N 3.17Å; F101-T104 PolarHBondContact O-OG1 3.15Å; F101-V138 HydrophobicContact CB-CG1 4.26Å; F101-V138 HydrophobicContact CB-CG2 3.67Å; F101-V138 HydrophobicContact CD1-CG1 3.83Å; F101-V138 HydrophobicContact CD1-CG2 4.33Å; F101-V138 HydrophobicContact CD2-CG1 4.06Å; F101-V138 HydrophobicContact CE1-CG1 4.14Å; F101-V138 HydrophobicContact CE2-CG1 4.34Å; F101-V138 HydrophobicContact CG-CG1 3.78Å; F101-V138 HydrophobicContact CG-CG2 4.1Å; F101-V138 HydrophobicContact CZ-CG1 4.36Å; F101-E142 HydrophobicContact CE1-CG 3.77Å; F101-E142 WeakPolarHBondContact CE1-OE1 3.49Å; F101-E142 HydrophobicContact CZ-CG 4.17Å; F101-A143 HydrophobicContact CE2-CB 3.95Å; F101-A143 HydrophobicContact CZ-CB 4.29Å; F101-K146 HydrophobicContact CE1-CD 3.95Å; F101-K146 HydrophobicContact CE2-CD 3.68Å; F101-K146 HydrophobicContact CZ-CB 3.94Å; F101-K146 HydrophobicContact CZ-CD 3.28Å; F101-K146 HydrophobicContact CZ-CG 4.26Å; F101-K146 PolarHBondContact O-NZ 3.02Å
102S97.6Very high96.8Very high54 Ų5442.5 Ų42.538%0.37821%0.212SC..Hα-helixtrans-62.4-39.4174.2-560000111.7H98 E99 T104 D105H98-S102 PolarHBondContact CE1-OG 3.23Å; H98-S102 PolarHBondContact ND1-OG 2.9Å; H98-S102 PolarHBondContact O-N 3.12Å; H98-S102 PolarHBondContact O-OG 3.27Å; E99-S102 PolarHBondContact O-N 3.45Å; S102-T104 PolarHBondContact O-N 2.99Å; S102-T104 VanDerWaalsContact O-N 3.08Å; S102-D105 PolarHBondContact O-N 3.45Å; S102-D105 VanDerWaalsContact O-OD2 3.08Å
103A96.1Very high96.6Very high24 Ų2449.2 Ų49.220%0.19824%0.237CC..THydrogen-bonded Turntrans-62.2-17.6177.100000114S22 E99 F101 D105 E106 F107S22-A103 WeakPolarHBondContact OG-CB 3.46Å; E99-A103 WeakPolarHBondContact O-CB 3.3Å; E99-A103 PolarHBondContact O-N 3.01Å; F101-A103 VanDerWaalsContact C-N 3.31Å; F101-A103 PolarHBondContact O-N 3.43Å; A103-D105 PolarHBondContact O-N 2.97Å; A103-E106 PolarHBondContact O-N 2.93Å; A103-F107 HydrophobicContact CB-CD2 4.46Å; A103-F107 HydrophobicContact CB-CE2 4.13Å; A103-F107 WeakPolarHBondContact O-CD2 3.25Å; A103-F107 PolarHBondContact O-N 2.96Å
104T96.8Very high96.4Very high0 Ų050.4 Ų50.40%024%0.244CC..Hα-helixtrans-62.4-27.3178.562.90000113.1L91 F93 F101 S102 R108 K146L91-T104 HydrophobicContact CD1-CG2 4.31Å; L91-T104 HydrophobicContact CD2-CG2 4.44Å; L91-T104 HydrophobicContact CG-CG2 4.06Å; F93-T104 HydrophobicContact CB-CG2 3.94Å; F93-T104 HydrophobicContact CD1-CG2 4.25Å; F93-T104 HydrophobicContact CG-CG2 4.41Å; F101-T104 WeakPolarHBondContact O-CB 3.22Å; F101-T104 WeakPolarHBondContact O-CG2 3.42Å; F101-T104 PolarHBondContact O-N 3.43Å; F101-T104 VanDerWaalsContact O-N 3.17Å; F101-T104 PolarHBondContact O-OG1 3.15Å; S102-T104 PolarHBondContact O-N 2.99Å; S102-T104 VanDerWaalsContact O-N 3.08Å; T104-R108 WeakPolarHBondContact O-CB 3.38Å; T104-R108 PolarHBondContact O-N 2.74Å; T104-K146 PolarHBondContact OG1-NZ 3.34Å
105D96.6Very high96.2Very high68 Ų6850.9 Ų50.936%0.36425%0.246SC..Hα-helixtrans-60.3-51.1175-66.9-63.9000111.1S102 A103 F107 R108 E109 K146 W150S102-D105 PolarHBondContact O-N 3.45Å; S102-D105 VanDerWaalsContact O-OD2 3.08Å; A103-D105 PolarHBondContact O-N 2.97Å; D105-F107 PolarHBondContact O-N 3.49Å; D105-R108 PolarHBondContact O-N 2.53Å; D105-E109 WeakPolarHBondContact O-CG 3.21Å; D105-E109 PolarHBondContact O-N 3.35Å; D105-K146 WeakPolarHBondContact OD1-CE 3.22Å; D105-K146 IonicContact OD1-NZ 3.94Å; D105-K146 PolarHBondContact OD1-NZ 2.9Å; D105-K146 WeakPolarHBondContact OD2-CE 3.4Å; D105-K146 IonicContact OD2-NZ 2.93Å; D105-K146 PolarHBondContact OD2-NZ 3.42Å; D105-W150 VanDerWaalsContact OD1-CZ2 3.31Å; D105-W150 WeakPolarHBondContact OD1-CZ2 3.49Å
106E94.2Very high95.9Very high112 Ų11254.8 Ų54.852%0.52328%0.279SS..Hα-helixtrans-62.1-45.6-178.3-172-170.7161.100111.2A103 R108 E109 Q110A103-E106 PolarHBondContact O-N 2.93Å; E106-R108 VanDerWaalsContact C-N 3.31Å; E106-R108 PolarHBondContact O-N 3.05Å; E106-E109 PolarHBondContact O-N 3.23Å; E106-Q110 VanDerWaalsContact O-CG 3.25Å; E106-Q110 WeakPolarHBondContact O-CG 2.82Å; E106-Q110 PolarHBondContact O-N 2.84Å; E106-Q110 PolarHBondContact OE1-NE2 3.25Å
107F94.6Very high95.5Very high27 Ų2763 Ų6312%0.11832%0.315CS..Hα-helixtrans-60.7-41.7177.4-73.3-59.8000111.9V20 L91 A103 D105 Q110 I111V20-F107 HydrophobicContact CG1-CB 3.73Å; V20-F107 HydrophobicContact CG1-CD1 3.42Å; V20-F107 VanDerWaalsContact CG1-CD1 3.42Å; V20-F107 HydrophobicContact CG1-CD2 4.47Å; V20-F107 HydrophobicContact CG1-CE1 4.14Å; V20-F107 HydrophobicContact CG1-CG 3.63Å; L91-F107 HydrophobicContact CD1-CB 3.57Å; L91-F107 HydrophobicContact CD1-CD2 4.29Å; L91-F107 HydrophobicContact CD1-CG 4.21Å; A103-F107 HydrophobicContact CB-CD2 4.46Å; A103-F107 HydrophobicContact CB-CE2 4.13Å; A103-F107 WeakPolarHBondContact O-CD2 3.25Å; A103-F107 PolarHBondContact O-N 2.96Å; D105-F107 PolarHBondContact O-N 3.49Å; F107-Q110 PolarHBondContact O-N 2.99Å; F107-I111 VanDerWaalsContact O-CG1 3.28Å; F107-I111 WeakPolarHBondContact O-CG1 2.79Å; F107-I111 PolarHBondContact O-N 2.92Å
108R95.7Very high95Very high55 Ų5562.7 Ų62.721%0.20831%0.314CS..Hα-helixtrans-62.7-48.5176.5-179.8173.3-178.8-118.64.8111.2L91 T104 D105 E106 Q110 I111 L112 L123 W150L91-R108 HydrophobicContact CD2-CB 4.25Å; T104-R108 WeakPolarHBondContact O-CB 3.38Å; T104-R108 PolarHBondContact O-N 2.74Å; D105-R108 PolarHBondContact O-N 2.53Å; E106-R108 VanDerWaalsContact C-N 3.31Å; E106-R108 PolarHBondContact O-N 3.05Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 2.9Å; R108-I111 PolarHBondContact O-N 2.97Å; R108-I111 VanDerWaalsContact O-N 3.14Å; R108-L112 HydrophobicContact CG-CD1 4.15Å; R108-L112 HydrophobicContact CG-CG 4.27Å; R108-L112 WeakPolarHBondContact O-CG 3.49Å; R108-L112 PolarHBondContact O-N 3.16Å; R108-L123 HydrophobicContact CG-CD2 4.28Å; R108-W150 HydrophobicContact CB-CH2 4.15Å; R108-W150 HydrophobicContact CB-CZ2 4.4Å; R108-W150 VanDerWaalsContact CD-CE3 3.46Å; R108-W150 VanDerWaalsContact CZ-CB 3.42Å; R108-W150 VanDerWaalsContact NH2-CA 3.26Å; R108-W150 VanDerWaalsContact NH2-CB 3.33Å; R108-W150 PolarHBondContact NH2-O 2.71Å
109E95.1Very high94.3Very high135 Ų13567.6 Ų67.663%0.63134%0.343SS*.Hα-helixtrans-57.2-41.8178-73.5-176.5170.700112.2D105 E106 L112 R113D105-E109 WeakPolarHBondContact O-CG 3.21Å; D105-E109 PolarHBondContact O-N 3.35Å; E106-E109 PolarHBondContact O-N 3.23Å; E109-L112 PolarHBondContact O-N 2.76Å; E109-R113 WeakPolarHBondContact O-CB 3.47Å; E109-R113 PolarHBondContact O-N 2.92Å
110Q93.3Very high93.9Very high12 Ų1266.9 Ų66.96%0.05634%0.337CS..Hα-helixtrans-64.3-42.6176.5-67.9175.910.600112.3R79 F83 E106 F107 R108 R113 V114R79-Q110 VanDerWaalsContact NH2-NE2 3.16Å; F83-Q110 HydrophobicContact CD2-CB 4.48Å; F83-Q110 HydrophobicContact CE2-CB 3.89Å; E106-Q110 VanDerWaalsContact O-CG 3.25Å; E106-Q110 WeakPolarHBondContact O-CG 2.82Å; E106-Q110 PolarHBondContact O-N 2.84Å; E106-Q110 PolarHBondContact OE1-NE2 3.25Å; F107-Q110 PolarHBondContact O-N 2.99Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 2.9Å; Q110-R113 PolarHBondContact O-N 2.6Å; Q110-V114 WeakPolarHBondContact O-CG2 3.33Å; Q110-V114 PolarHBondContact O-N 3.41Å; Q110-V114 VanDerWaalsContact O-N 3.08Å
111I95Very high93.8Very high1 Ų168 Ų681%0.00534%0.342CS..Hα-helixtrans-59.7-51.1174.7-68.4163000109.8V20 F83 F89 F107 R108 R113 V114 K115 I121 L123V20-I111 HydrophobicContact CG1-CD1 4.49Å; V20-I111 HydrophobicContact CG2-CD1 4.37Å; F83-I111 HydrophobicContact CD2-CG1 4.15Å; F83-I111 HydrophobicContact CE2-CG1 4.1Å; F83-I111 HydrophobicContact CG-CG1 4.38Å; F83-I111 HydrophobicContact CZ-CG1 4.29Å; F89-I111 HydrophobicContact CB-CD1 4.11Å; F89-I111 HydrophobicContact CD1-CD1 3.74Å; F89-I111 HydrophobicContact CD1-CG1 3.94Å; F89-I111 HydrophobicContact CD1-CG2 4.32Å; F89-I111 HydrophobicContact CD2-CG2 3.92Å; F89-I111 HydrophobicContact CE1-CD1 4.35Å; F89-I111 HydrophobicContact CE1-CG1 4.02Å; F89-I111 HydrophobicContact CE1-CG2 4.19Å; F89-I111 HydrophobicContact CE2-CG2 3.79Å; F89-I111 HydrophobicContact CG-CD1 3.95Å; F89-I111 HydrophobicContact CG-CG1 4.41Å; F89-I111 HydrophobicContact CG-CG2 4.19Å; F89-I111 HydrophobicContact CZ-CG2 3.92Å; F107-I111 VanDerWaalsContact O-CG1 3.28Å; F107-I111 WeakPolarHBondContact O-CG1 2.79Å; F107-I111 PolarHBondContact O-N 2.92Å; R108-I111 PolarHBondContact O-N 2.97Å; R108-I111 VanDerWaalsContact O-N 3.14Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 2.75Å; I111-V114 PolarHBondContact O-N 2.85Å; I111-K115 HydrophobicContact CG2-CG 4.31Å; I111-K115 VanDerWaalsContact O-CB 3.22Å; I111-K115 WeakPolarHBondContact O-CB 3.34Å; I111-K115 WeakPolarHBondContact O-CG 3.34Å; I111-K115 PolarHBondContact O-N 3.43Å; I111-I121 HydrophobicContact CG2-CG2 3.94Å; I111-L123 HydrophobicContact CD1-CD1 4.21Å
112L95.3Very high93.8Very high72 Ų7267.6 Ų67.638%0.37734%0.341SS..Hα-helixtrans-58.8-41.9-179.9-66.7-178.7000111.8R108 E109 K115 A116 I121R108-L112 HydrophobicContact CG-CD1 4.15Å; R108-L112 HydrophobicContact CG-CG 4.27Å; R108-L112 WeakPolarHBondContact O-CG 3.49Å; R108-L112 PolarHBondContact O-N 3.16Å; E109-L112 PolarHBondContact O-N 2.76Å; L112-K115 CarbonylContact O-C 3.51Å; L112-K115 PolarHBondContact O-N 3.44Å; L112-A116 WeakPolarHBondContact O-CA 3.36Å; L112-A116 PolarHBondContact O-N 3.28Å; L112-I121 HydrophobicContact CD2-CD1 3.52Å
113R94.8Very high93.8Very high141 Ų14165.4 Ų65.453%0.53233%0.325SS..Hα-helixtrans-61-46.3177.1-175.9-173.371.1-142.11.7112D80 E109 Q110 I111 K115D80-R113 IonicContact OD1-NH2 2.76Å; D80-R113 PolarHBondContact OD1-NH2 3.27Å; D80-R113 IonicContact OD2-NH2 2.69Å; E109-R113 WeakPolarHBondContact O-CB 3.47Å; E109-R113 PolarHBondContact O-N 2.92Å; Q110-R113 PolarHBondContact O-N 2.6Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 2.75Å; R113-K115 VanDerWaalsContact C-N 3.3Å
114V94.3Very high93.9Very high25 Ų2564.2 Ų64.215%0.15232%0.315CS..Hα-helixtrans-72.1-29.3-179.2175.10000111.6D80 F83 R84 Q110 I111D80-V114 HydrophobicContact CB-CG2 4.04Å; D80-V114 VanDerWaalsContact OD1-CG2 3.31Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.41Å; F83-V114 HydrophobicContact CB-CB 4.1Å; F83-V114 HydrophobicContact CB-CG1 3.84Å; F83-V114 HydrophobicContact CB-CG2 4.35Å; F83-V114 HydrophobicContact CD2-CG2 4.32Å; R84-V114 HydrophobicContact CB-CG1 3.85Å; Q110-V114 WeakPolarHBondContact O-CG2 3.33Å; Q110-V114 PolarHBondContact O-N 3.41Å; Q110-V114 VanDerWaalsContact O-N 3.08Å; I111-V114 PolarHBondContact O-N 2.85Å
115K94.4Very high94Very high11 Ų1164.3 Ų64.35%0.04832%0.316CS..THydrogen-bonded Turntrans-101.822.9-177.1-65-80172.2179.80113.1F83 R84 G86 F89 I111 L112 R113 E117 E118 I121F83-K115 WeakPolarHBondContact O-CE 3.02Å; F83-K115 PolarHBondContact O-NZ 2.95Å; R84-K115 PolarHBondContact O-NZ 3.07Å; G86-K115 WeakPolarHBondContact O-CE 2.96Å; G86-K115 PolarHBondContact O-NZ 3.15Å; F89-K115 HydrophobicContact CE2-CG 4.36Å; F89-K115 HydrophobicContact CZ-CG 4.33Å; I111-K115 HydrophobicContact CG2-CG 4.31Å; I111-K115 VanDerWaalsContact O-CB 3.22Å; I111-K115 WeakPolarHBondContact O-CB 3.34Å; I111-K115 WeakPolarHBondContact O-CG 3.34Å; I111-K115 PolarHBondContact O-N 3.43Å; L112-K115 CarbonylContact O-C 3.51Å; L112-K115 PolarHBondContact O-N 3.44Å; R113-K115 VanDerWaalsContact C-N 3.3Å; K115-E117 PolarHBondContact O-N 2.8Å; K115-E118 HydrophobicContact CD-CG 4.28Å; K115-E118 WeakPolarHBondContact CD-OE1 3.28Å; K115-E118 WeakPolarHBondContact CD-OE2 3.3Å; K115-E118 WeakPolarHBondContact CE-OE1 3.32Å; K115-E118 IonicContact NZ-OE1 3.08Å; K115-E118 PolarHBondContact NZ-OE1 3.09Å; K115-E118 IonicContact NZ-OE2 3.17Å; K115-E118 WeakPolarHBondContact O-CB 3.2Å; K115-E118 PolarHBondContact O-N 3.26Å; K115-I121 HydrophobicContact CB-CD1 3.4Å; K115-I121 VanDerWaalsContact CB-CD1 3.4Å; K115-I121 HydrophobicContact CB-CG1 3.79Å; K115-I121 HydrophobicContact CG-CD1 4.32Å; K115-I121 HydrophobicContact CG-CG1 4.44Å
116A91.8Very high94.1Very high82 Ų8261.1 Ų61.168%0.67830%0.299SS*.THydrogen-bonded Turntrans-60-20.2-171.700000115.1L112 E118L112-A116 WeakPolarHBondContact O-CA 3.36Å; L112-A116 PolarHBondContact O-N 3.28Å; A116-E118 VanDerWaalsContact C-N 3.34Å
117E89.4Confident94.3Very high196 Ų19655.8 Ų55.892%0.91627%0.274SS*.THydrogen-bonded Turntrans-85.4-5.7176.6-61.7-179.5-174.400113.4K115K115-E117 PolarHBondContact O-N 2.8Å
118E88.1Confident94.5Very high63 Ų6354.7 Ų54.729%0.29427%0.269SS..  trans-101.8121.1-175.1-58-175.8-16800111.3K115 A116 K120 I121 K179K115-E118 HydrophobicContact CD-CG 4.28Å; K115-E118 WeakPolarHBondContact CD-OE1 3.28Å; K115-E118 WeakPolarHBondContact CD-OE2 3.3Å; K115-E118 WeakPolarHBondContact CE-OE1 3.32Å; K115-E118 IonicContact NZ-OE1 3.08Å; K115-E118 PolarHBondContact NZ-OE1 3.09Å; K115-E118 IonicContact NZ-OE2 3.17Å; K115-E118 WeakPolarHBondContact O-CB 3.2Å; K115-E118 PolarHBondContact O-N 3.26Å; A116-E118 VanDerWaalsContact C-N 3.34Å; E118-K120 VanDerWaalsContact C-N 3.29Å; E118-K120 PolarHBondContact O-N 3.08Å; E118-I121 HydrophobicContact CB-CG1 4.24Å; E118-K179 IonicContact OE2-NZ 3.14Å; E118-K179 PolarHBondContact OE2-NZ 2.68Å
119D84.3Confident94.6Very high177 Ų17754.5 Ų54.595%0.94727%0.27SS*.SBendtrans-63.3-32.9-177.3-65.2-39000113.6
120K88.7Confident94.8Very high139 Ų13949.5 Ų49.560%0.60425%0.25SC*.  trans-139.4126.7178.8-173.7174.7-177.61780109.9E118 K179E118-K120 VanDerWaalsContact C-N 3.29Å; E118-K120 PolarHBondContact O-N 3.08Å; K120-K179 VanDerWaalsContact O-CD 3.3Å; K120-K179 WeakPolarHBondContact O-CD 3.44Å; K120-K179 WeakPolarHBondContact O-CE 3.33Å; K120-K179 PolarHBondContact O-NZ 3.28Å
121I95.4Very high95Very high25 Ų2551.7 Ų51.713%0.12826%0.262CS..  trans-107.9116179-62.2155.1000108.1F89 I111 L112 K115 E118 L123F89-I121 HydrophobicContact CD2-CG2 3.71Å; F89-I121 HydrophobicContact CE2-CG2 3.76Å; I111-I121 HydrophobicContact CG2-CG2 3.94Å; L112-I121 HydrophobicContact CD2-CD1 3.52Å; K115-I121 HydrophobicContact CB-CD1 3.4Å; K115-I121 VanDerWaalsContact CB-CD1 3.4Å; K115-I121 HydrophobicContact CB-CG1 3.79Å; K115-I121 HydrophobicContact CG-CD1 4.32Å; K115-I121 HydrophobicContact CG-CG1 4.44Å; E118-I121 HydrophobicContact CB-CG1 4.24Å; I121-L123 PolarHBondContact O-N 3.44Å; I121-L123 VanDerWaalsContact O-N 3.14Å
122P97.8Very high95.1Very high1 Ų154.2 Ų54.21%0.00628%0.275CS..  trans-60114.5173.1-24.135.8000110.1E87 G88 F89 L172 E175 V176 K179E87-P122 WeakPolarHBondContact O-CD 3.36Å; E87-P122 WeakPolarHBondContact O-CG 3.49Å; G88-P122 WeakPolarHBondContact CA-O 3.18Å; F89-P122 PolarHBondContact N-O 3.23Å; P122-L172 HydrophobicContact CB-CD1 3.84Å; P122-E175 HydrophobicContact CB-CB 3.86Å; P122-E175 HydrophobicContact CG-CB 4.48Å; P122-V176 HydrophobicContact CB-CG2 3.78Å; P122-V176 HydrophobicContact CG-CG2 3.99Å; P122-K179 HydrophobicContact CG-CB 4.38Å; P122-K179 HydrophobicContact CG-CD 3.86Å
123L98.2Very high95.3Very high7 Ų755.5 Ų55.54%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-148.1129.1-171.9176.772.1000108.2F89 L91 R108 I111 I121 V152 E175F89-L123 HydrophobicContact CB-CD1 3.55Å; F89-L123 WeakPolarHBondContact O-CA 3.33Å; L91-L123 HydrophobicContact CB-CD1 3.93Å; L91-L123 HydrophobicContact CD2-CD1 4.44Å; R108-L123 HydrophobicContact CG-CD2 4.28Å; I111-L123 HydrophobicContact CD1-CD1 4.21Å; I121-L123 PolarHBondContact O-N 3.44Å; I121-L123 VanDerWaalsContact O-N 3.14Å; L123-V152 HydrophobicContact CB-CG1 4.07Å; L123-V152 HydrophobicContact CD2-CG1 4.18Å; L123-V152 HydrophobicContact CG-CG1 4.31Å; L123-V152 WeakPolarHBondContact O-CB 3.42Å; L123-V152 WeakPolarHBondContact O-CG1 3.43Å; L123-E175 PolarHBondContact N-OE2 2.97Å
124L98.4Very high95.4Very high0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-121.2134.9173.6-133.276.4000109.4F89 L90 L91 V126 Q153 V155 V168 D171F89-L124 PolarHBondContact O-N 3.44Å; L90-L124 HydrophobicContact CD2-CB 3.66Å; L90-L124 HydrophobicContact CD2-CD2 4.26Å; L91-L124 PolarHBondContact N-O 2.86Å; L124-V126 HydrophobicContact CB-CG2 4.5Å; L124-Q153 HydrophobicContact CD1-CB 3.7Å; L124-Q153 HydrophobicContact CD1-CG 4.2Å; L124-Q153 HydrophobicContact CG-CB 4.23Å; L124-V155 HydrophobicContact CD2-CG2 4.06Å; L124-V168 HydrophobicContact CD2-CB 3.99Å; L124-V168 HydrophobicContact CD2-CG1 4Å; L124-D171 HydrophobicContact CD2-CB 4.47Å
125V98.7Very high95.6Very high1 Ų164.2 Ų64.21%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-89.1128.2170.9-175.10000108.6F93 A147 W150 V152 Q153 Y154 V155F93-V125 HydrophobicContact CD1-CG1 4.12Å; F93-V125 HydrophobicContact CE1-CG1 3.79Å; V125-A147 HydrophobicContact CB-CB 4.46Å; V125-A147 HydrophobicContact CG2-CB 4.29Å; V125-W150 HydrophobicContact CG2-CE3 3.75Å; V125-W150 HydrophobicContact CG2-CZ3 3.76Å; V125-V152 HydrophobicContact CG2-CG2 3.7Å; V125-Q153 PolarHBondContact N-O 3.03Å; V125-Y154 HydrophobicContact CB-CD2 4.24Å; V125-Y154 HydrophobicContact CG1-CD2 3.98Å; V125-Y154 WeakPolarHBondContact O-CA 3.24Å; V125-V155 PolarHBondContact O-N 2.97Å
126V98.9Very high95.8Very high1 Ų166.4 Ų66.41%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-124.9113.5-173.8-176.90000110.5L30 L90 L91 V92 F93 L124 V155 T157 V168L30-V126 HydrophobicContact CD1-CG1 4.24Å; L90-V126 HydrophobicContact CB-CG2 4.49Å; L90-V126 HydrophobicContact CD2-CG2 4.01Å; L91-V126 PolarHBondContact O-N 2.91Å; V92-V126 WeakPolarHBondContact CA-O 3.41Å; V92-V126 HydrophobicContact CG1-CG1 4.5Å; V92-V126 HydrophobicContact CG2-CB 4.24Å; F93-V126 WeakPolarHBondContact CD1-O 3.44Å; F93-V126 PolarHBondContact N-O 2.93Å; L124-V126 HydrophobicContact CB-CG2 4.5Å; V126-V155 WeakPolarHBondContact CA-O 3.47Å; V126-T157 HydrophobicContact CG1-CG2 3.66Å; V126-T157 VanDerWaalsContact CG1-OG1 3.26Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.35Å; V126-V168 HydrophobicContact CG1-CG1 4.33Å; V126-V168 HydrophobicContact CG2-CB 4.19Å; V126-V168 HydrophobicContact CG2-CG1 3.94Å
127G98.8Very high96.1Very high0 Ų068.1 Ų68.10%032%0.324CS..EExtended strand (participates in β ladder)trans-89.1101.2171.400000109.9V155 E156 T157G127-V155 PolarHBondContact N-O 3.2Å; G127-E156 CarbonylContact O-C 3.39Å; G127-E156 VanDerWaalsContact O-CA 3.22Å; G127-E156 WeakPolarHBondContact O-CA 3.5Å; G127-T157 PolarHBondContact O-N 2.95Å
128N98.7Very high96.5Very high4 Ų458.8 Ų58.82%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-87.3166.2-179.5-17031.9000111.9V25 L30 V92 F93 I95 T157 A159V25-N128 PolarHBondContact O-ND2 3.46Å; L30-N128 HydrophobicContact CD1-CB 4.32Å; V92-N128 HydrophobicContact CG1-CB 3.94Å; F93-N128 PolarHBondContact O-N 3.43Å; I95-N128 PolarHBondContact N-O 3.21Å; N128-T157 CarbonylContact C-O 3.59Å; N128-T157 VanDerWaalsContact CA-O 3.32Å; N128-T157 WeakPolarHBondContact CA-O 3.47Å; N128-T157 PolarHBondContact OD1-O 2.91Å; N128-T157 PolarHBondContact OD1-OG1 3.13Å; N128-A159 PolarHBondContact OD1-N 3Å
129K98.1Very high97Very high52 Ų5258.2 Ų58.223%0.22628%0.284CS..  trans69.436.1-177.8-43.8-171.4-163.8169.30113.3G24 S94 I95 T96 D131 L132 T157G24-K129 WeakPolarHBondContact O-CE 3.26Å; G24-K129 PolarHBondContact O-NZ 2.99Å; S94-K129 VanDerWaalsContact OG-CD 3.26Å; S94-K129 WeakPolarHBondContact OG-CD 3.32Å; S94-K129 WeakPolarHBondContact OG-CE 3.22Å; S94-K129 PolarHBondContact OG-NZ 3.41Å; I95-K129 WeakPolarHBondContact CD1-O 3.5Å; I95-K129 WeakPolarHBondContact CG1-O 3.27Å; T96-K129 HydrophobicContact CG2-CB 4.45Å; K129-D131 PolarHBondContact O-N 2.82Å; K129-D131 VanDerWaalsContact O-N 3.12Å; K129-L132 HydrophobicContact CB-CD1 4.12Å; K129-L132 HydrophobicContact CB-CG 4.38Å; K129-L132 HydrophobicContact CD-CD1 4.19Å; K129-L132 WeakPolarHBondContact O-CB 3.36Å; K129-L132 PolarHBondContact O-N 2.99Å; K129-T157 PolarHBondContact N-O 3.31Å
130S98.6Very high97.6Very high29 Ų2950.3 Ų50.320%0.20324%0.244CC..THydrogen-bonded Turntrans-62.9-13175.265.30000114.3L132 T157S130-L132 PolarHBondContact O-N 3.04Å; S130-T157 PolarHBondContact N-O 2.86Å; S130-T157 VanDerWaalsContact OG-C 3.26Å; S130-T157 PolarHBondContact OG-O 3.1Å; S130-T157 VanDerWaalsContact OG-O 3.1Å
131D98.3Very high98.1Very high59 Ų5949.2 Ų49.232%0.31625%0.245SC..THydrogen-bonded Turntrans-71.5-14.2169.357.2-74.3000113.8K129 S158 K160 T161K129-D131 PolarHBondContact O-N 2.82Å; K129-D131 VanDerWaalsContact O-N 3.12Å; D131-S158 WeakPolarHBondContact CB-OG 3.33Å; D131-S158 VanDerWaalsContact CG-OG 3.24Å; D131-S158 VanDerWaalsContact OD1-CB 3.27Å; D131-S158 WeakPolarHBondContact OD1-CB 3.36Å; D131-S158 PolarHBondContact OD1-OG 2.58Å; D131-K160 WeakPolarHBondContact OD2-CD 3.26Å; D131-T161 HydrophobicContact CB-CG2 4.06Å
132L97.3Very high98.2Very high53 Ų5351.6 Ų51.628%0.27726%0.255SS..  trans-102.947.3-179.1-58.6-178.4000112.1T96 K129 S130 D134 R135 R136T96-L132 HydrophobicContact CG2-CB 3.61Å; T96-L132 HydrophobicContact CG2-CD1 4.04Å; T96-L132 HydrophobicContact CG2-CG 4.47Å; K129-L132 HydrophobicContact CB-CD1 4.12Å; K129-L132 HydrophobicContact CB-CG 4.38Å; K129-L132 HydrophobicContact CD-CD1 4.19Å; K129-L132 WeakPolarHBondContact O-CB 3.36Å; K129-L132 PolarHBondContact O-N 2.99Å; S130-L132 PolarHBondContact O-N 3.04Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3Å; L132-R135 PolarHBondContact O-N 3Å; L132-R136 PolarHBondContact O-N 3Å
133E97.5Very high98.2Very high100 Ų10051.6 Ų51.647%0.46726%0.255SS..G310 helixtrans-56.4-39.3-175.8-167.161.7-153.400112.8R135 R136E133-R135 PolarHBondContact O-N 3.3Å; E133-R136 VanDerWaalsContact CD-NE 3.28Å; E133-R136 VanDerWaalsContact O-CB 3.23Å; E133-R136 WeakPolarHBondContact O-CB 3.39Å; E133-R136 PolarHBondContact O-N 3.39Å; E133-R136 IonicContact OE1-CZ 3.28Å; E133-R136 IonicContact OE1-NE 2.78Å; E133-R136 PolarHBondContact OE1-NE 2.85Å; E133-R136 IonicContact OE1-NH2 3.57Å; E133-R136 IonicContact OE2-CZ 3.61Å; E133-R136 IonicContact OE2-NE 2.78Å; E133-R136 PolarHBondContact OE2-NE 2.85Å; E133-R136 VanDerWaalsContact OE2-NE 3.17Å; E133-R136 IonicContact OE2-NH2 2.68Å; E133-R136 PolarHBondContact OE2-NH2 2.81Å
134D97.8Very high98.2Very high173 Ų17356.4 Ų56.493%0.92527%0.273SS*.G310 helixtrans-62.7-15.5177.8-61.8-37.5000113.7L132L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3Å
135R97.9Very high98.2Very high175 Ų17557.6 Ų57.666%0.6629%0.285SS*.G310 helixtrans-111.411.2179.3-58.6-175.5-176.2-1791.5112.5T96 L132 E133 Q137T96-R135 WeakPolarHBondContact CA-O 3.43Å; T96-R135 WeakPolarHBondContact CB-O 3.3Å; T96-R135 HydrophobicContact CG2-CB 3.91Å; L132-R135 PolarHBondContact O-N 3Å; E133-R135 PolarHBondContact O-N 3.3Å; R135-Q137 PolarHBondContact O-N 2.93Å
136R98.6Very high98.2Very high58 Ų5858.7 Ų58.722%0.21929%0.29CS..  trans-59.4128.3-179.3-179.3179.7-71-89.15.5110.7I95 L132 E133 V138 E156I95-R136 HydrophobicContact CD1-CB 4.41Å; I95-R136 HydrophobicContact CD1-CG 4.44Å; L132-R136 PolarHBondContact O-N 3Å; E133-R136 VanDerWaalsContact CD-NE 3.28Å; E133-R136 VanDerWaalsContact O-CB 3.23Å; E133-R136 WeakPolarHBondContact O-CB 3.39Å; E133-R136 PolarHBondContact O-N 3.39Å; E133-R136 IonicContact OE1-CZ 3.28Å; E133-R136 IonicContact OE1-NE 2.78Å; E133-R136 PolarHBondContact OE1-NE 2.85Å; E133-R136 IonicContact OE1-NH2 3.57Å; E133-R136 IonicContact OE2-CZ 3.61Å; E133-R136 IonicContact OE2-NE 2.78Å; E133-R136 PolarHBondContact OE2-NE 2.85Å; E133-R136 VanDerWaalsContact OE2-NE 3.17Å; E133-R136 IonicContact OE2-NH2 2.68Å; E133-R136 PolarHBondContact OE2-NH2 2.81Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.48Å; R136-V138 WeakPolarHBondContact CG-O 3.25Å; R136-V138 PolarHBondContact NH1-O 2.87Å; R136-E156 IonicContact CZ-OE1 3.5Å; R136-E156 IonicContact CZ-OE2 3.37Å; R136-E156 IonicContact NH1-OE1 2.66Å; R136-E156 PolarHBondContact NH1-OE1 2.97Å; R136-E156 IonicContact NH1-OE2 3.55Å; R136-E156 IonicContact NH2-OE1 3.52Å; R136-E156 PolarHBondContact NH2-OE1 2.96Å; R136-E156 IonicContact NH2-OE2 2.72Å; R136-E156 PolarHBondContact NH2-OE2 2.8Å
137Q98.6Very high98.1Very high117 Ų11758.8 Ų58.855%0.54729%0.29SS..  trans-112.5-22.8172-62.5-1765.900112.2I95 T96 H98 R135I95-Q137 PolarHBondContact O-N 3.21Å; T96-Q137 PolarHBondContact O-NE2 3.13Å; T96-Q137 VanDerWaalsContact O-NE2 3.09Å; T96-Q137 PolarHBondContact O-OE1 3.08Å; H98-Q137 HydrophobicContact CB-CB 4.23Å; R135-Q137 PolarHBondContact O-N 2.93Å
138V98.5Very high98.1Very high0 Ų065.9 Ų65.90%032%0.324CS..SBendtrans-111.7119.9179.5-175.20000109.1F93 I95 H98 F101 R136 A143F93-V138 HydrophobicContact CE2-CB 4.04Å; F93-V138 HydrophobicContact CE2-CG1 3.87Å; F93-V138 HydrophobicContact CE2-CG2 4.23Å; F93-V138 HydrophobicContact CZ-CG1 4.27Å; I95-V138 PolarHBondContact O-N 3.25Å; I95-V138 VanDerWaalsContact O-N 3.07Å; H98-V138 HydrophobicContact CB-CG2 4.35Å; F101-V138 HydrophobicContact CB-CG1 4.26Å; F101-V138 HydrophobicContact CB-CG2 3.67Å; F101-V138 HydrophobicContact CD1-CG1 3.83Å; F101-V138 HydrophobicContact CD1-CG2 4.33Å; F101-V138 HydrophobicContact CD2-CG1 4.06Å; F101-V138 HydrophobicContact CE1-CG1 4.14Å; F101-V138 HydrophobicContact CE2-CG1 4.34Å; F101-V138 HydrophobicContact CG-CG1 3.78Å; F101-V138 HydrophobicContact CG-CG2 4.1Å; F101-V138 HydrophobicContact CZ-CG1 4.36Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.48Å; R136-V138 WeakPolarHBondContact CG-O 3.25Å; R136-V138 PolarHBondContact NH1-O 2.87Å; V138-A143 HydrophobicContact CG1-CB 4.26Å
139S98.3Very high98Very high52 Ų5273.3 Ų73.336%0.36436%0.358SS..  trans-73.1149.218074.80000111.2D141 E142 A143S139-D141 PolarHBondContact O-N 3.35Å; S139-E142 PolarHBondContact O-N 3.01Å; S139-E142 WeakPolarHBondContact OG-CB 3.2Å; S139-E142 PolarHBondContact OG-N 3.14Å; S139-E142 VanDerWaalsContact OG-N 3.12Å; S139-A143 PolarHBondContact O-N 2.91Å; S139-A143 VanDerWaalsContact O-N 3.14Å
140G97.3Very high98Very high11 Ų1172.2 Ų72.211%0.11335%0.353CS..Hα-helixtrans-61.5-31.7175.500000112.8R144G140-R144 VanDerWaalsContact C-CZ 3.48Å; G140-R144 WeakPolarHBondContact O-CB 3.28Å; G140-R144 VanDerWaalsContact O-CG 3.27Å; G140-R144 WeakPolarHBondContact O-CG 3.44Å; G140-R144 VanDerWaalsContact O-CZ 3.28Å; G140-R144 PolarHBondContact O-N 3.3Å; G140-R144 PolarHBondContact O-NE 2.83Å; G140-R144 PolarHBondContact O-NH1 3.36Å
141D98.1Very high97.9Very high115 Ų11574.1 Ų74.162%0.61538%0.377SS*.Hα-helixtrans-70.7-42.8178.6-69.9-32.8000112.2S139 R144 G145S139-D141 PolarHBondContact O-N 3.35Å; D141-R144 PolarHBondContact O-N 3.46Å; D141-R144 IonicContact OD1-CZ 2.71Å; D141-R144 IonicContact OD1-NE 3.49Å; D141-R144 IonicContact OD1-NH2 3.26Å; D141-R144 PolarHBondContact OD1-NH2 3.21Å; D141-G145 PolarHBondContact O-N 2.77Å
142E97.8Very high97.8Very high76 Ų7672.6 Ų72.636%0.35537%0.37SS..Hα-helixtrans-60.3-48174.8179.1-172.417900111.5H98 F101 S139 R144 G145 K146H98-E142 IonicContact NE2-OE1 2.73Å; F101-E142 HydrophobicContact CE1-CG 3.77Å; F101-E142 WeakPolarHBondContact CE1-OE1 3.49Å; F101-E142 HydrophobicContact CZ-CG 4.17Å; S139-E142 PolarHBondContact O-N 3.01Å; S139-E142 WeakPolarHBondContact OG-CB 3.2Å; S139-E142 PolarHBondContact OG-N 3.14Å; S139-E142 VanDerWaalsContact OG-N 3.12Å; E142-R144 PolarHBondContact O-N 3.12Å; E142-G145 PolarHBondContact O-N 2.91Å; E142-K146 PolarHBondContact O-N 3.03Å; E142-K146 VanDerWaalsContact O-N 3.08Å
143A98.3Very high97.8Very high0 Ų074.4 Ų74.40%038%0.377CS..Hα-helixtrans-65.9-37.7178.800000112.6F93 F101 V138 S139 A147 Y154F93-A143 HydrophobicContact CE1-CB 4.46Å; F93-A143 HydrophobicContact CZ-CB 3.88Å; F101-A143 HydrophobicContact CE2-CB 3.95Å; F101-A143 HydrophobicContact CZ-CB 4.29Å; V138-A143 HydrophobicContact CG1-CB 4.26Å; S139-A143 PolarHBondContact O-N 2.91Å; S139-A143 VanDerWaalsContact O-N 3.14Å; A143-A147 WeakPolarHBondContact O-CB 3.33Å; A143-A147 PolarHBondContact O-N 2.9Å; A143-A147 VanDerWaalsContact O-N 3.1Å; A143-Y154 HydrophobicContact CB-CD1 4.19Å; A143-Y154 HydrophobicContact CB-CD2 4.04Å; A143-Y154 HydrophobicContact CB-CE1 3.72Å; A143-Y154 HydrophobicContact CB-CE2 3.58Å; A143-Y154 HydrophobicContact CB-CG 4.3Å
144R98.4Very high97.9Very high109 Ų10971.2 Ų71.241%0.41136%0.36SS..Hα-helixtrans-64.1-48.1172.6-81.9-173.1-71.1-86.55.4112G140 D141 E142 K146 A147 E148 Y154G140-R144 VanDerWaalsContact C-CZ 3.48Å; G140-R144 WeakPolarHBondContact O-CB 3.28Å; G140-R144 VanDerWaalsContact O-CG 3.27Å; G140-R144 WeakPolarHBondContact O-CG 3.44Å; G140-R144 VanDerWaalsContact O-CZ 3.28Å; G140-R144 PolarHBondContact O-N 3.3Å; G140-R144 PolarHBondContact O-NE 2.83Å; G140-R144 PolarHBondContact O-NH1 3.36Å; D141-R144 PolarHBondContact O-N 3.46Å; D141-R144 IonicContact OD1-CZ 2.71Å; D141-R144 IonicContact OD1-NE 3.49Å; D141-R144 IonicContact OD1-NH2 3.26Å; D141-R144 PolarHBondContact OD1-NH2 3.21Å; E142-R144 PolarHBondContact O-N 3.12Å; R144-K146 VanDerWaalsContact C-N 3.29Å; R144-K146 PolarHBondContact O-N 2.91Å; R144-A147 PolarHBondContact O-N 3.2Å; R144-A147 VanDerWaalsContact O-N 3.1Å; R144-E148 WeakPolarHBondContact O-CG 3.39Å; R144-E148 PolarHBondContact O-N 2.87Å; R144-Y154 HydrophobicContact CG-CD1 3.59Å; R144-Y154 HydrophobicContact CG-CE1 4.34Å; R144-Y154 HydrophobicContact CG-CG 4.41Å
145G98.4Very high97.9Very high25 Ų2563.4 Ų63.426%0.25832%0.319SS..Hα-helixtrans-56.6-45.3179.800000111.6D141 E142 A147 E148 E149D141-G145 PolarHBondContact O-N 2.77Å; E142-G145 PolarHBondContact O-N 2.91Å; G145-A147 PolarHBondContact O-N 3.12Å; G145-E148 PolarHBondContact O-N 3.32Å; G145-E149 WeakPolarHBondContact O-CG 3.35Å; G145-E149 PolarHBondContact O-N 2.8Å
146K97.6Very high98Very high24 Ų2457.1 Ų57.110%0.10430%0.297CS..Hα-helixtrans-62-42.9175.3-169173.8-170.61740112.8F101 T104 D105 E142 R144 E148 E149 W150F101-K146 HydrophobicContact CE1-CD 3.95Å; F101-K146 HydrophobicContact CE2-CD 3.68Å; F101-K146 HydrophobicContact CZ-CB 3.94Å; F101-K146 HydrophobicContact CZ-CD 3.28Å; F101-K146 HydrophobicContact CZ-CG 4.26Å; F101-K146 PolarHBondContact O-NZ 3.02Å; T104-K146 PolarHBondContact OG1-NZ 3.34Å; D105-K146 WeakPolarHBondContact OD1-CE 3.22Å; D105-K146 IonicContact OD1-NZ 3.94Å; D105-K146 PolarHBondContact OD1-NZ 2.9Å; D105-K146 WeakPolarHBondContact OD2-CE 3.4Å; D105-K146 IonicContact OD2-NZ 2.93Å; D105-K146 PolarHBondContact OD2-NZ 3.42Å; E142-K146 PolarHBondContact O-N 3.03Å; E142-K146 VanDerWaalsContact O-N 3.08Å; R144-K146 VanDerWaalsContact C-N 3.29Å; R144-K146 PolarHBondContact O-N 2.91Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-E148 PolarHBondContact O-N 3.08Å; K146-E149 PolarHBondContact O-N 3.3Å; K146-W150 HydrophobicContact CD-CH2 4.11Å; K146-W150 HydrophobicContact CD-CZ2 4.02Å; K146-W150 VanDerWaalsContact CE-CH2 3.42Å; K146-W150 HydrophobicContact CG-CD2 4.18Å; K146-W150 HydrophobicContact CG-CE3 4.48Å; K146-W150 HydrophobicContact CG-CH2 4.21Å; K146-W150 HydrophobicContact CG-CZ2 3.87Å; K146-W150 HydrophobicContact CG-CZ3 4.46Å; K146-W150 WeakPolarHBondContact O-CB 3.03Å; K146-W150 VanDerWaalsContact O-CD1 3.24Å; K146-W150 PolarHBondContact O-N 2.76Å
147A97.9Very high98Very high2 Ų254.3 Ų54.32%0.01729%0.287CS..Hα-helixtrans-65.5-37.5177.400000112.3V125 A143 R144 G145 W150 G151 V152V125-A147 HydrophobicContact CB-CB 4.46Å; V125-A147 HydrophobicContact CG2-CB 4.29Å; A143-A147 WeakPolarHBondContact O-CB 3.33Å; A143-A147 PolarHBondContact O-N 2.9Å; A143-A147 VanDerWaalsContact O-N 3.1Å; R144-A147 PolarHBondContact O-N 3.2Å; R144-A147 VanDerWaalsContact O-N 3.1Å; G145-A147 PolarHBondContact O-N 3.12Å; A147-W150 CarbonylContact O-C 3.48Å; A147-W150 WeakPolarHBondContact O-CB 3.31Å; A147-W150 PolarHBondContact O-N 3.41Å; A147-G151 PolarHBondContact O-N 2.95Å; A147-V152 CarbonylContact C-O 3.55Å; A147-V152 HydrophobicContact CB-CG2 4.16Å; A147-V152 WeakPolarHBondContact CB-O 3.18Å; A147-V152 PolarHBondContact O-N 2.94Å; A147-V152 VanDerWaalsContact O-O 3.07Å
148E97.9Very high98Very high150 Ų15048.8 Ų48.870%0.70126%0.261SS*.Hα-helixtrans-64.7-45.7174.9-74.1177.1-176.300112.3R144 G145 K146 W150 G151R144-E148 WeakPolarHBondContact O-CG 3.39Å; R144-E148 PolarHBondContact O-N 2.87Å; G145-E148 PolarHBondContact O-N 3.32Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-E148 PolarHBondContact O-N 3.08Å; E148-W150 PolarHBondContact O-N 3.45Å; E148-W150 VanDerWaalsContact O-N 3.15Å; E148-G151 PolarHBondContact O-N 3.12Å
149E97.3Very high97.9Very high160 Ų16048.9 Ų48.975%0.74826%0.262SS*.Hα-helixtrans-54.9-33172.5-73.6174.8-171.300111.9G145 K146G145-E149 WeakPolarHBondContact O-CG 3.35Å; G145-E149 PolarHBondContact O-N 2.8Å; K146-E149 PolarHBondContact O-N 3.3Å
150W96.7Very high97.9Very high29 Ų2951.5 Ų51.511%0.1127%0.267CS..THydrogen-bonded Turntrans-86.9-9.7-179.1-67.45.3000114.1L91 D105 R108 V125 K146 A147 E148 V152L91-W150 HydrophobicContact CD2-CH2 4.21Å; L91-W150 HydrophobicContact CD2-CZ3 3.78Å; D105-W150 VanDerWaalsContact OD1-CZ2 3.31Å; D105-W150 WeakPolarHBondContact OD1-CZ2 3.49Å; R108-W150 HydrophobicContact CB-CH2 4.15Å; R108-W150 HydrophobicContact CB-CZ2 4.4Å; R108-W150 VanDerWaalsContact CD-CE3 3.46Å; R108-W150 VanDerWaalsContact CZ-CB 3.42Å; R108-W150 VanDerWaalsContact NH2-CA 3.26Å; R108-W150 VanDerWaalsContact NH2-CB 3.33Å; R108-W150 PolarHBondContact NH2-O 2.71Å; V125-W150 HydrophobicContact CG2-CE3 3.75Å; V125-W150 HydrophobicContact CG2-CZ3 3.76Å; K146-W150 HydrophobicContact CD-CH2 4.11Å; K146-W150 HydrophobicContact CD-CZ2 4.02Å; K146-W150 VanDerWaalsContact CE-CH2 3.42Å; K146-W150 HydrophobicContact CG-CD2 4.18Å; K146-W150 HydrophobicContact CG-CE3 4.48Å; K146-W150 HydrophobicContact CG-CH2 4.21Å; K146-W150 HydrophobicContact CG-CZ2 3.87Å; K146-W150 HydrophobicContact CG-CZ3 4.46Å; K146-W150 WeakPolarHBondContact O-CB 3.03Å; K146-W150 VanDerWaalsContact O-CD1 3.24Å; K146-W150 PolarHBondContact O-N 2.76Å; A147-W150 CarbonylContact O-C 3.48Å; A147-W150 WeakPolarHBondContact O-CB 3.31Å; A147-W150 PolarHBondContact O-N 3.41Å; E148-W150 PolarHBondContact O-N 3.45Å; E148-W150 VanDerWaalsContact O-N 3.15Å; W150-V152 VanDerWaalsContact C-N 3.32Å; W150-V152 HydrophobicContact CB-CG2 3.8Å; W150-V152 HydrophobicContact CE3-CG2 4.24Å
151G96.8Very high97.9Very high69 Ų6955.2 Ų55.271%0.71129%0.287SS*.THydrogen-bonded Turntrans68.428-175.700000113.8A147 E148A147-G151 PolarHBondContact O-N 2.95Å; E148-G151 PolarHBondContact O-N 3.12Å
152V97.7Very high97.8Very high26 Ų2652.7 Ų52.716%0.15827%0.269CS..  trans-124164.2-178-61.60000111.5L123 V125 A147 W150L123-V152 HydrophobicContact CB-CG1 4.07Å; L123-V152 HydrophobicContact CD2-CG1 4.18Å; L123-V152 HydrophobicContact CG-CG1 4.31Å; L123-V152 WeakPolarHBondContact O-CB 3.42Å; L123-V152 WeakPolarHBondContact O-CG1 3.43Å; V125-V152 HydrophobicContact CG2-CG2 3.7Å; A147-V152 CarbonylContact C-O 3.55Å; A147-V152 HydrophobicContact CB-CG2 4.16Å; A147-V152 WeakPolarHBondContact CB-O 3.18Å; A147-V152 PolarHBondContact O-N 2.94Å; A147-V152 VanDerWaalsContact O-O 3.07Å; W150-V152 VanDerWaalsContact C-N 3.32Å; W150-V152 HydrophobicContact CB-CG2 3.8Å; W150-V152 HydrophobicContact CE3-CG2 4.24Å
153Q97.3Very high97.9Very high91 Ų9150.8 Ų50.843%0.42527%0.267SS..EExtended strand (participates in β ladder)trans-84.3147.6178-53.2-176.6-4.200111.4L124 V125L124-Q153 HydrophobicContact CD1-CB 3.7Å; L124-Q153 HydrophobicContact CD1-CG 4.2Å; L124-Q153 HydrophobicContact CG-CB 4.23Å; V125-Q153 PolarHBondContact N-O 3.03Å
154Y98.6Very high97.9Very high33 Ų3354.5 Ų54.513%0.12929%0.286CS..EExtended strand (participates in β ladder)trans-109.1135167.8173.3-117.6000110.7F93 V125 A143 R144 E156F93-Y154 HydrophobicContact CE1-CD2 4.38Å; F93-Y154 AromaticContact CE1-CE2 3.67Å; F93-Y154 HydrophobicContact CE1-CE2 3.67Å; F93-Y154 AromaticContact CZ-CE2 3.67Å; F93-Y154 HydrophobicContact CZ-CE2 3.67Å; V125-Y154 HydrophobicContact CB-CD2 4.24Å; V125-Y154 HydrophobicContact CG1-CD2 3.98Å; V125-Y154 WeakPolarHBondContact O-CA 3.24Å; A143-Y154 HydrophobicContact CB-CD1 4.19Å; A143-Y154 HydrophobicContact CB-CD2 4.04Å; A143-Y154 HydrophobicContact CB-CE1 3.72Å; A143-Y154 HydrophobicContact CB-CE2 3.58Å; A143-Y154 HydrophobicContact CB-CG 4.3Å; R144-Y154 HydrophobicContact CG-CD1 3.59Å; R144-Y154 HydrophobicContact CG-CE1 4.34Å; R144-Y154 HydrophobicContact CG-CG 4.41Å; Y154-E156 HydrophobicContact CE1-CG 3.69Å; Y154-E156 HydrophobicContact CE2-CG 4.3Å; Y154-E156 VanDerWaalsContact CZ-CG 3.42Å; Y154-E156 VanDerWaalsContact OH-CD 3.3Å; Y154-E156 WeakPolarHBondContact OH-CG 3.37Å; Y154-E156 PolarHBondContact OH-OE1 3.47Å
155V98.8Very high97.9Very high10 Ų1049.3 Ų49.36%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-137.8131.5175.1-176.10000110L124 V125 V126 G127 T157 N164 K167 V168L124-V155 HydrophobicContact CD2-CG2 4.06Å; V125-V155 PolarHBondContact O-N 2.97Å; V126-V155 WeakPolarHBondContact CA-O 3.47Å; G127-V155 PolarHBondContact N-O 3.2Å; V155-T157 HydrophobicContact CG1-CG2 4.31Å; V155-N164 HydrophobicContact CG1-CB 3.8Å; V155-K167 HydrophobicContact CG1-CD 4.17Å; V155-V168 HydrophobicContact CB-CG1 3.67Å; V155-V168 HydrophobicContact CG1-CG1 3.61Å; V155-V168 HydrophobicContact CG2-CG1 4.2Å
156E98.8Very high97.9Very high42 Ų4250.8 Ų50.820%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-86.6137.2169.5-71.5-169.8176.700111.3G127 R136 Y154 N164G127-E156 CarbonylContact O-C 3.39Å; G127-E156 VanDerWaalsContact O-CA 3.22Å; G127-E156 WeakPolarHBondContact O-CA 3.5Å; R136-E156 IonicContact CZ-OE1 3.5Å; R136-E156 IonicContact CZ-OE2 3.37Å; R136-E156 IonicContact NH1-OE1 2.66Å; R136-E156 PolarHBondContact NH1-OE1 2.97Å; R136-E156 IonicContact NH1-OE2 3.55Å; R136-E156 IonicContact NH2-OE1 3.52Å; R136-E156 PolarHBondContact NH2-OE1 2.96Å; R136-E156 IonicContact NH2-OE2 2.72Å; R136-E156 PolarHBondContact NH2-OE2 2.8Å; Y154-E156 HydrophobicContact CE1-CG 3.69Å; Y154-E156 HydrophobicContact CE2-CG 4.3Å; Y154-E156 VanDerWaalsContact CZ-CG 3.42Å; Y154-E156 VanDerWaalsContact OH-CD 3.3Å; Y154-E156 WeakPolarHBondContact OH-CG 3.37Å; Y154-E156 PolarHBondContact OH-OE1 3.47Å; E156-N164 VanDerWaalsContact O-CB 3.27Å; E156-N164 WeakPolarHBondContact O-CB 3.38Å; E156-N164 PolarHBondContact O-ND2 2.91Å
157T98.8Very high97.9Very high0 Ų053.5 Ų53.50%028%0.281CS..EExtended strand (participates in β ladder)trans-132.2156.4-17758.50000111.2V126 G127 N128 K129 S130 V155 A163 N164 V168V126-T157 HydrophobicContact CG1-CG2 3.66Å; V126-T157 VanDerWaalsContact CG1-OG1 3.26Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.35Å; G127-T157 PolarHBondContact O-N 2.95Å; N128-T157 CarbonylContact C-O 3.59Å; N128-T157 VanDerWaalsContact CA-O 3.32Å; N128-T157 WeakPolarHBondContact CA-O 3.47Å; N128-T157 PolarHBondContact OD1-O 2.91Å; N128-T157 PolarHBondContact OD1-OG1 3.13Å; K129-T157 PolarHBondContact N-O 3.31Å; S130-T157 PolarHBondContact N-O 2.86Å; S130-T157 VanDerWaalsContact OG-C 3.26Å; S130-T157 PolarHBondContact OG-O 3.1Å; S130-T157 VanDerWaalsContact OG-O 3.1Å; V155-T157 HydrophobicContact CG1-CG2 4.31Å; T157-A163 VanDerWaalsContact CA-O 3.27Å; T157-A163 WeakPolarHBondContact CA-O 3.33Å; T157-N164 HydrophobicContact CG2-CB 3.9Å; T157-V168 HydrophobicContact CG2-CG1 3.6Å; T157-V168 HydrophobicContact CG2-CG2 4.14Å
158S98.5Very high98Very high0 Ų053.4 Ų53.40%028%0.28CS..  trans-130.9109.9165.8169.60000108.3D131 K160 T161 R162 A163D131-S158 WeakPolarHBondContact CB-OG 3.33Å; D131-S158 VanDerWaalsContact CG-OG 3.24Å; D131-S158 VanDerWaalsContact OD1-CB 3.27Å; D131-S158 WeakPolarHBondContact OD1-CB 3.36Å; D131-S158 PolarHBondContact OD1-OG 2.58Å; S158-K160 PolarHBondContact O-N 3.2Å; S158-K160 PolarHBondContact OG-N 3.4Å; S158-T161 WeakPolarHBondContact CB-OG1 3.34Å; S158-T161 PolarHBondContact O-N 3.01Å; S158-T161 PolarHBondContact OG-N 3.41Å; S158-T161 PolarHBondContact OG-OG1 3.32Å; S158-T161 VanDerWaalsContact OG-OG1 3.08Å; S158-R162 CarbonylContact O-C 3.58Å; S158-R162 VanDerWaalsContact O-CA 3.25Å; S158-R162 WeakPolarHBondContact O-CA 3.44Å; S158-R162 PolarHBondContact O-N 2.99Å; S158-A163 PolarHBondContact N-O 3.33Å; S158-A163 PolarHBondContact O-N 3.14Å
159A97.4Very high98Very high3 Ų346.3 Ų46.33%0.02525%0.247CC..THydrogen-bonded Turntrans-58.7-29170.300000111.9A29 L30 Q33 F39 N128A29-A159 HydrophobicContact CB-CB 3.68Å; L30-A159 HydrophobicContact CD2-CB 3.92Å; L30-A159 HydrophobicContact CG-CB 4.21Å; Q33-A159 PolarHBondContact NE2-O 3.34Å; F39-A159 HydrophobicContact CD2-CB 4.24Å; F39-A159 WeakPolarHBondContact CD2-O 3.41Å; F39-A159 HydrophobicContact CE2-CB 4.21Å; N128-A159 PolarHBondContact OD1-N 3Å
160K96.6Very high98.1Very high107 Ų10740.8 Ų40.847%0.46522%0.22SC..THydrogen-bonded Turntrans-71-48179.7-176.1174.1-173.3167.10112.9F39 D131 S158F39-K160 HydrophobicContact CD1-CB 4.31Å; F39-K160 HydrophobicContact CD1-CG 4.06Å; F39-K160 HydrophobicContact CD2-CB 4.41Å; F39-K160 HydrophobicContact CE1-CB 3.98Å; F39-K160 HydrophobicContact CE1-CD 4.23Å; F39-K160 HydrophobicContact CE1-CG 3.79Å; F39-K160 HydrophobicContact CE2-CB 4.14Å; F39-K160 HydrophobicContact CG-CB 4.5Å; F39-K160 HydrophobicContact CZ-CB 3.91Å; F39-K160 HydrophobicContact CZ-CG 4.22Å; D131-K160 WeakPolarHBondContact OD2-CD 3.26Å; S158-K160 PolarHBondContact O-N 3.2Å; S158-K160 PolarHBondContact OG-N 3.4Å
161T97.3Very high98.1Very high89 Ų8940.7 Ų40.755%0.54622%0.222SC..THydrogen-bonded Turntrans-95.4-1.2-176.766.10000113.3D131 S158 A163D131-T161 HydrophobicContact CB-CG2 4.06Å; S158-T161 WeakPolarHBondContact CB-OG1 3.34Å; S158-T161 PolarHBondContact O-N 3.01Å; S158-T161 PolarHBondContact OG-N 3.41Å; S158-T161 PolarHBondContact OG-OG1 3.32Å; S158-T161 VanDerWaalsContact OG-OG1 3.08Å; T161-A163 PolarHBondContact O-N 3.08Å; T161-A163 WeakPolarHBondContact OG1-CB 3.47Å; T161-A163 PolarHBondContact OG1-N 3.41Å
162R97.7Very high98.2Very high61 Ų6137.4 Ų37.423%0.2319%0.188CC..  trans63.39-170.2-155.3-165.8176.984.6-4.5114.2Q33 D37 S158 N164 V165 D166Q33-R162 HydrophobicContact CG-CB 4.27Å; Q33-R162 HydrophobicContact CG-CG 3.85Å; Q33-R162 PolarHBondContact O-NH1 2.91Å; D37-R162 VanDerWaalsContact CG-NH1 3.35Å; D37-R162 IonicContact OD1-CZ 3.2Å; D37-R162 IonicContact OD1-NH1 3.73Å; D37-R162 PolarHBondContact OD1-NH1 3.28Å; D37-R162 IonicContact OD1-NH2 2.8Å; D37-R162 PolarHBondContact OD1-NH2 3.32Å; S158-R162 CarbonylContact O-C 3.58Å; S158-R162 VanDerWaalsContact O-CA 3.25Å; S158-R162 WeakPolarHBondContact O-CA 3.44Å; S158-R162 PolarHBondContact O-N 2.99Å; R162-N164 PolarHBondContact O-N 3.31Å; R162-N164 VanDerWaalsContact O-N 3.13Å; R162-V165 HydrophobicContact CG-CB 4.12Å; R162-V165 HydrophobicContact CG-CG2 4.32Å; R162-V165 PolarHBondContact O-N 3.4Å; R162-D166 IonicContact CZ-OD1 3.49Å; R162-D166 IonicContact CZ-OD2 3.46Å; R162-D166 IonicContact NE-OD1 3.49Å; R162-D166 IonicContact NE-OD2 3.3Å; R162-D166 PolarHBondContact NE-OD2 3.02Å; R162-D166 IonicContact NH2-OD1 2.76Å; R162-D166 PolarHBondContact NH2-OD1 2.72Å; R162-D166 IonicContact NH2-OD2 3.77Å; R162-D166 PolarHBondContact NH2-OD2 3.04Å
163A98.6Very high98.2Very high37 Ų3736.2 Ų36.231%0.30618%0.181SC..THydrogen-bonded Turntrans-57.6123.1178.900000110.8T157 S158 T161 V165T157-A163 VanDerWaalsContact CA-O 3.27Å; T157-A163 WeakPolarHBondContact CA-O 3.33Å; S158-A163 PolarHBondContact N-O 3.33Å; S158-A163 PolarHBondContact O-N 3.14Å; T161-A163 PolarHBondContact O-N 3.08Å; T161-A163 WeakPolarHBondContact OG1-CB 3.47Å; T161-A163 PolarHBondContact OG1-N 3.41Å; A163-V165 PolarHBondContact O-N 2.88Å
164N98.6Very high98.3Very high77 Ų7736 Ų3641%0.41218%0.176SC..THydrogen-bonded Turntrans56.212179.5-63.3-38.6000116.6V155 E156 T157 R162 K167 V168V155-N164 HydrophobicContact CG1-CB 3.8Å; E156-N164 VanDerWaalsContact O-CB 3.27Å; E156-N164 WeakPolarHBondContact O-CB 3.38Å; E156-N164 PolarHBondContact O-ND2 2.91Å; T157-N164 HydrophobicContact CG2-CB 3.9Å; R162-N164 PolarHBondContact O-N 3.31Å; R162-N164 VanDerWaalsContact O-N 3.13Å; N164-K167 HydrophobicContact CB-CB 4.21Å; N164-K167 HydrophobicContact CB-CD 4.43Å; N164-K167 WeakPolarHBondContact O-CB 3.39Å; N164-K167 PolarHBondContact O-N 2.66Å; N164-V168 PolarHBondContact O-N 2.89Å
165V98.5Very high98.2Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-62.7-53.2-179.7175.70000110.4L30 Q33 F34 R162 A163 K167 V168 F169L30-V165 HydrophobicContact CD2-CG1 4.41Å; L30-V165 HydrophobicContact CD2-CG2 3.74Å; Q33-V165 HydrophobicContact CB-CG1 4.25Å; Q33-V165 HydrophobicContact CG-CB 4.36Å; Q33-V165 HydrophobicContact CG-CG1 4Å; Q33-V165 HydrophobicContact CG-CG2 4.07Å; F34-V165 HydrophobicContact CB-CG1 3.95Å; R162-V165 HydrophobicContact CG-CB 4.12Å; R162-V165 HydrophobicContact CG-CG2 4.32Å; R162-V165 PolarHBondContact O-N 3.4Å; A163-V165 PolarHBondContact O-N 2.88Å; V165-K167 VanDerWaalsContact C-N 3.26Å; V165-K167 PolarHBondContact O-N 3.48Å; V165-V168 WeakPolarHBondContact O-CG2 3.33Å; V165-V168 PolarHBondContact O-N 3.26Å; V165-F169 HydrophobicContact CG1-CD2 4.38Å; V165-F169 HydrophobicContact CG1-CE2 4.15Å; V165-F169 VanDerWaalsContact O-CD2 3.24Å; V165-F169 WeakPolarHBondContact O-CD2 3.38Å
166D98.1Very high98.1Very high56 Ų5636.1 Ų36.130%0.29918%0.177SC..Hα-helixtrans-59.7-41.5176.6-63.3-51.1000111F34 R162 V168 F169 F170F34-D166 WeakPolarHBondContact CD2-OD1 3.25Å; R162-D166 IonicContact CZ-OD1 3.49Å; R162-D166 IonicContact CZ-OD2 3.46Å; R162-D166 IonicContact NE-OD1 3.49Å; R162-D166 IonicContact NE-OD2 3.3Å; R162-D166 PolarHBondContact NE-OD2 3.02Å; R162-D166 IonicContact NH2-OD1 2.76Å; R162-D166 PolarHBondContact NH2-OD1 2.72Å; R162-D166 IonicContact NH2-OD2 3.77Å; R162-D166 PolarHBondContact NH2-OD2 3.04Å; D166-V168 PolarHBondContact O-N 3.17Å; D166-F169 PolarHBondContact O-N 2.76Å; D166-F170 HydrophobicContact CB-CD2 4.07Å; D166-F170 HydrophobicContact CB-CE2 4.27Å; D166-F170 WeakPolarHBondContact O-CB 3.15Å; D166-F170 WeakPolarHBondContact O-CD2 3.41Å; D166-F170 PolarHBondContact O-N 3.31Å
167K98.6Very high98Very high82 Ų8236.5 Ų36.536%0.35718%0.177SC..Hα-helixtrans-53-50.5-177.7-176.9-176.4-176.2-57.60111.9V155 N164 V165 F169 F170 D171V155-K167 HydrophobicContact CG1-CD 4.17Å; N164-K167 HydrophobicContact CB-CB 4.21Å; N164-K167 HydrophobicContact CB-CD 4.43Å; N164-K167 WeakPolarHBondContact O-CB 3.39Å; N164-K167 PolarHBondContact O-N 2.66Å; V165-K167 VanDerWaalsContact C-N 3.26Å; V165-K167 PolarHBondContact O-N 3.48Å; K167-F169 PolarHBondContact O-N 3.41Å; K167-F170 PolarHBondContact O-N 2.98Å; K167-D171 VanDerWaalsContact CG-OD2 3.24Å; K167-D171 WeakPolarHBondContact CG-OD2 3.28Å; K167-D171 IonicContact NZ-OD2 3.92Å; K167-D171 PolarHBondContact NZ-OD2 3.34Å; K167-D171 VanDerWaalsContact O-CB 3.25Å; K167-D171 WeakPolarHBondContact O-CB 3.33Å; K167-D171 PolarHBondContact O-N 3.47Å
168V98.8Very high97.7Very high0 Ų038.1 Ų38.10%019%0.193CC..Hα-helixtrans-65.9-38.7-175.8-63.80000112.7L90 L124 V126 V155 T157 N164 V165 D166 L172L90-V168 HydrophobicContact CD1-CB 4.46Å; L90-V168 HydrophobicContact CD1-CG2 4.12Å; L90-V168 HydrophobicContact CD2-CB 4.17Å; L124-V168 HydrophobicContact CD2-CB 3.99Å; L124-V168 HydrophobicContact CD2-CG1 4Å; V126-V168 HydrophobicContact CG1-CG1 4.33Å; V126-V168 HydrophobicContact CG2-CB 4.19Å; V126-V168 HydrophobicContact CG2-CG1 3.94Å; V155-V168 HydrophobicContact CB-CG1 3.67Å; V155-V168 HydrophobicContact CG1-CG1 3.61Å; V155-V168 HydrophobicContact CG2-CG1 4.2Å; T157-V168 HydrophobicContact CG2-CG1 3.6Å; T157-V168 HydrophobicContact CG2-CG2 4.14Å; N164-V168 PolarHBondContact O-N 2.89Å; V165-V168 WeakPolarHBondContact O-CG2 3.33Å; V165-V168 PolarHBondContact O-N 3.26Å; D166-V168 PolarHBondContact O-N 3.17Å; V168-L172 WeakPolarHBondContact O-CB 3.23Å; V168-L172 PolarHBondContact O-N 2.8Å; V168-L172 VanDerWaalsContact O-N 3.12Å
169F98.6Very high97.5Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-69.5-44.7176.8-72.1-74.3000111.8V17 M19 L30 F34 I64 I66 L90 V165 D166 K167 M173V17-F169 HydrophobicContact CG1-CD1 4.49Å; V17-F169 HydrophobicContact CG1-CE1 4.47Å; M19-F169 HydrophobicContact CE-CE1 4.43Å; M19-F169 HydrophobicContact CE-CZ 4.01Å; M19-F169 HydrophobicContact SD-CE1 3.77Å; M19-F169 HydrophobicContact SD-CZ 3.95Å; L30-F169 HydrophobicContact CB-CE2 4.5Å; F34-F169 HydrophobicContact CB-CD2 3.61Å; F34-F169 HydrophobicContact CB-CE2 3.46Å; F34-F169 VanDerWaalsContact CB-CE2 3.46Å; F34-F169 HydrophobicContact CB-CG 4.48Å; F34-F169 HydrophobicContact CB-CZ 4.21Å; F34-F169 HydrophobicContact CD1-CD1 4.39Å; F34-F169 HydrophobicContact CD1-CD2 4.03Å; F34-F169 HydrophobicContact CD1-CE2 4.34Å; F34-F169 HydrophobicContact CD1-CG 4.08Å; F34-F169 HydrophobicContact CD2-CB 4.02Å; F34-F169 AromaticContact CD2-CD2 3.57Å; F34-F169 HydrophobicContact CD2-CD2 3.57Å; F34-F169 HydrophobicContact CD2-CE2 4.33Å; F34-F169 AromaticContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CE1-CB 4.33Å; F34-F169 HydrophobicContact CE1-CG 4.28Å; F34-F169 HydrophobicContact CE2-CB 3.77Å; F34-F169 HydrophobicContact CE2-CD2 4.21Å; F34-F169 HydrophobicContact CE2-CG 4.19Å; F34-F169 HydrophobicContact CG-CB 4.39Å; F34-F169 AromaticContact CG-CD2 3.44Å; F34-F169 HydrophobicContact CG-CD2 3.44Å; F34-F169 VanDerWaalsContact CG-CD2 3.44Å; F34-F169 AromaticContact CG-CE2 3.8Å; F34-F169 HydrophobicContact CG-CE2 3.8Å; F34-F169 AromaticContact CG-CG 3.91Å; F34-F169 HydrophobicContact CG-CG 3.91Å; F34-F169 HydrophobicContact CG-CZ 4.5Å; F34-F169 HydrophobicContact CZ-CB 3.92Å; F34-F169 HydrophobicContact CZ-CG 4.32Å; I64-F169 HydrophobicContact CD1-CB 4.39Å; I64-F169 HydrophobicContact CD1-CD1 4.01Å; I66-F169 HydrophobicContact CD1-CD1 3.91Å; I66-F169 HydrophobicContact CD1-CE1 3.57Å; I66-F169 HydrophobicContact CD1-CZ 4.19Å; I66-F169 HydrophobicContact CG1-CD1 4.41Å; I66-F169 HydrophobicContact CG1-CE1 4.12Å; I66-F169 HydrophobicContact CG2-CE1 4.21Å; L90-F169 HydrophobicContact CD1-CD1 3.71Å; L90-F169 HydrophobicContact CD1-CE1 3.54Å; L90-F169 HydrophobicContact CD1-CE2 4.47Å; L90-F169 HydrophobicContact CD1-CG 4.25Å; L90-F169 HydrophobicContact CD1-CZ 3.96Å; V165-F169 HydrophobicContact CG1-CD2 4.38Å; V165-F169 HydrophobicContact CG1-CE2 4.15Å; V165-F169 VanDerWaalsContact O-CD2 3.24Å; V165-F169 WeakPolarHBondContact O-CD2 3.38Å; D166-F169 PolarHBondContact O-N 2.76Å; K167-F169 PolarHBondContact O-N 3.41Å; F169-M173 WeakPolarHBondContact O-CG 3.27Å; F169-M173 PolarHBondContact O-N 3.07Å
170F98.5Very high97.2Very high44 Ų4442 Ų4219%0.19321%0.21CC..Hα-helixtrans-67-43.6178.5-81.2-78000112.4F34 V55 V56 L57 D166 K167 M173 R174F34-F170 HydrophobicContact CE2-CD2 4.32Å; F34-F170 AromaticContact CE2-CE2 3.95Å; F34-F170 HydrophobicContact CE2-CE2 3.95Å; V55-F170 HydrophobicContact CB-CE1 4.27Å; V55-F170 HydrophobicContact CB-CZ 4.15Å; V55-F170 HydrophobicContact CG1-CZ 4.49Å; V55-F170 HydrophobicContact CG2-CE1 4.34Å; V56-F170 WeakPolarHBondContact O-CE1 3.38Å; L57-F170 HydrophobicContact CD1-CD1 3.66Å; L57-F170 HydrophobicContact CD1-CE1 4.39Å; D166-F170 HydrophobicContact CB-CD2 4.07Å; D166-F170 HydrophobicContact CB-CE2 4.27Å; D166-F170 WeakPolarHBondContact O-CB 3.15Å; D166-F170 WeakPolarHBondContact O-CD2 3.41Å; D166-F170 PolarHBondContact O-N 3.31Å; K167-F170 PolarHBondContact O-N 2.98Å; F170-M173 HydrophobicContact CB-CE 4.43Å; F170-M173 HydrophobicContact CD1-CE 3.57Å; F170-M173 HydrophobicContact CE1-CE 3.89Å; F170-M173 HydrophobicContact CG-CE 3.96Å; F170-M173 PolarHBondContact O-N 2.99Å; F170-R174 WeakPolarHBondContact O-CG 3.32Å; F170-R174 PolarHBondContact O-N 2.96Å
171D98.5Very high96.8Very high28 Ų2841.9 Ų41.915%0.1521%0.212CC..Hα-helixtrans-63.2-43.6178.6-72.7-14.3000111.6L124 K167 M173 R174 E175L124-D171 HydrophobicContact CD2-CB 4.47Å; K167-D171 VanDerWaalsContact CG-OD2 3.24Å; K167-D171 WeakPolarHBondContact CG-OD2 3.28Å; K167-D171 IonicContact NZ-OD2 3.92Å; K167-D171 PolarHBondContact NZ-OD2 3.34Å; K167-D171 VanDerWaalsContact O-CB 3.25Å; K167-D171 WeakPolarHBondContact O-CB 3.33Å; K167-D171 PolarHBondContact O-N 3.47Å; D171-M173 PolarHBondContact O-N 3.14Å; D171-R174 WeakPolarHBondContact O-CB 3.12Å; D171-R174 PolarHBondContact O-N 3.1Å; D171-R174 VanDerWaalsContact O-N 3.15Å; D171-R174 IonicContact OD1-CZ 3.12Å; D171-R174 IonicContact OD1-NH1 2.68Å; D171-R174 PolarHBondContact OD1-NH1 3.36Å; D171-E175 PolarHBondContact O-N 2.87Å
172L98.6Very high96.3Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-63-42.6174.9-17864.5000111.8V17 L90 P122 V168 R174 E175 V176V17-L172 HydrophobicContact CB-CD2 4.31Å; V17-L172 HydrophobicContact CG1-CD2 3.62Å; V17-L172 HydrophobicContact CG2-CD2 3.84Å; V17-L172 HydrophobicContact CG2-CG 4.46Å; L90-L172 HydrophobicContact CD2-CB 4.09Å; L90-L172 HydrophobicContact CD2-CD2 3.67Å; L90-L172 HydrophobicContact CD2-CG 4.42Å; L90-L172 HydrophobicContact CG-CD2 3.64Å; P122-L172 HydrophobicContact CB-CD1 3.84Å; V168-L172 WeakPolarHBondContact O-CB 3.23Å; V168-L172 PolarHBondContact O-N 2.8Å; V168-L172 VanDerWaalsContact O-N 3.12Å; L172-R174 PolarHBondContact O-N 3.47Å; L172-E175 WeakPolarHBondContact O-CB 3.46Å; L172-E175 PolarHBondContact O-N 3.48Å; L172-E175 VanDerWaalsContact O-N 3.1Å; L172-V176 HydrophobicContact CG-CG2 4.5Å; L172-V176 WeakPolarHBondContact O-CG2 3.33Å; L172-V176 PolarHBondContact O-N 3.47Å
173M98.2Very high95.6Very high0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-59.6-36.2174.9-77.3-171.1-69.600112.2H15 V55 L57 V62 I64 F169 F170 D171 V176 R177H15-M173 HydrophobicContact CB-CG 4.09Å; V55-M173 HydrophobicContact CG2-CE 3.92Å; V55-M173 HydrophobicContact CG2-SD 4.02Å; L57-M173 HydrophobicContact CD1-CB 4.14Å; L57-M173 HydrophobicContact CD1-CE 4.4Å; L57-M173 HydrophobicContact CD2-CB 3.89Å; V62-M173 HydrophobicContact CG2-SD 4.41Å; I64-M173 HydrophobicContact CB-SD 3.78Å; I64-M173 HydrophobicContact CD1-CE 4.27Å; I64-M173 HydrophobicContact CD1-CG 4.08Å; I64-M173 HydrophobicContact CD1-SD 3.82Å; I64-M173 HydrophobicContact CG1-CG 4.44Å; I64-M173 HydrophobicContact CG1-SD 4.02Å; F169-M173 WeakPolarHBondContact O-CG 3.27Å; F169-M173 PolarHBondContact O-N 3.07Å; F170-M173 HydrophobicContact CB-CE 4.43Å; F170-M173 HydrophobicContact CD1-CE 3.57Å; F170-M173 HydrophobicContact CE1-CE 3.89Å; F170-M173 HydrophobicContact CG-CE 3.96Å; F170-M173 PolarHBondContact O-N 2.99Å; D171-M173 PolarHBondContact O-N 3.14Å; M173-V176 PolarHBondContact O-N 3.37Å; M173-R177 VanDerWaalsContact O-CB 3.32Å; M173-R177 WeakPolarHBondContact O-CB 3.39Å; M173-R177 PolarHBondContact O-N 3.1Å
174R97.9Very high94.7Very high88 Ų8844.8 Ų44.833%0.33222%0.224SC..Hα-helixtrans-63.5-42.2173.7-68.1176.2-176.6110.35.1111.6L57 D58 F170 D171 L172 R177 G178L57-R174 HydrophobicContact CD1-CG 3.91Å; D58-R174 IonicContact OD1-CZ 3.87Å; D58-R174 IonicContact OD1-NE 2.68Å; D58-R174 PolarHBondContact OD1-NE 2.84Å; D58-R174 VanDerWaalsContact OD1-NE 3.12Å; D58-R174 IonicContact OD1-NH2 2.86Å; D58-R174 PolarHBondContact OD1-NH2 2.7Å; D58-R174 IonicContact OD2-NE 2.8Å; D58-R174 PolarHBondContact OD2-NE 3.26Å; D58-R174 VanDerWaalsContact OD2-NE 3.14Å; F170-R174 WeakPolarHBondContact O-CG 3.32Å; F170-R174 PolarHBondContact O-N 2.96Å; D171-R174 WeakPolarHBondContact O-CB 3.12Å; D171-R174 PolarHBondContact O-N 3.1Å; D171-R174 VanDerWaalsContact O-N 3.15Å; D171-R174 IonicContact OD1-CZ 3.12Å; D171-R174 IonicContact OD1-NH1 2.68Å; D171-R174 PolarHBondContact OD1-NH1 3.36Å; L172-R174 PolarHBondContact O-N 3.47Å; R174-R177 PolarHBondContact O-N 3.36Å; R174-G178 PolarHBondContact O-N 3.08Å
175E97.3Very high93.7Very high43 Ų4348.6 Ų48.620%0.20124%0.237CC..Hα-helixtrans-63.4-45.3175.8-66.7-161.616600112P122 L123 D171 L172 R177 G178 K179P122-E175 HydrophobicContact CB-CB 3.86Å; P122-E175 HydrophobicContact CG-CB 4.48Å; L123-E175 PolarHBondContact N-OE2 2.97Å; D171-E175 PolarHBondContact O-N 2.87Å; L172-E175 WeakPolarHBondContact O-CB 3.46Å; L172-E175 PolarHBondContact O-N 3.48Å; L172-E175 VanDerWaalsContact O-N 3.1Å; E175-R177 PolarHBondContact O-N 3.15Å; E175-G178 PolarHBondContact O-N 3.09Å; E175-K179 PolarHBondContact O-N 3.11Å
176V96.8Very high92.5Very high2 Ų253.6 Ų53.61%0.01226%0.264CS..Hα-helixtrans-59.2-47.1175.6174.90000110.7H15 E87 P122 L172 M173 G178 K179 K180H15-V176 WeakPolarHBondContact ND1-CG1 3.46Å; E87-V176 HydrophobicContact CB-CG1 3.75Å; E87-V176 HydrophobicContact CB-CG2 4.37Å; P122-V176 HydrophobicContact CB-CG2 3.78Å; P122-V176 HydrophobicContact CG-CG2 3.99Å; L172-V176 HydrophobicContact CG-CG2 4.5Å; L172-V176 WeakPolarHBondContact O-CG2 3.33Å; L172-V176 PolarHBondContact O-N 3.47Å; M173-V176 PolarHBondContact O-N 3.37Å; V176-G178 PolarHBondContact O-N 3.05Å; V176-K179 PolarHBondContact O-N 3.32Å; V176-K180 HydrophobicContact CG1-CD 4.38Å; V176-K180 WeakPolarHBondContact O-CG 3.42Å; V176-K180 PolarHBondContact O-N 3.02Å
177R95.6Very high91Very high49 Ų4957.6 Ų57.619%0.18528%0.279CS..Hα-helixtrans-61.1-45.3177.3-175.1-179.366.3-167.9-7111.3L57 D58 M173 R174 E175 K179 K180 M181L57-R177 PolarHBondContact O-NH1 2.97Å; D58-R177 IonicContact OD2-CZ 2.53Å; D58-R177 IonicContact OD2-NH1 3.92Å; D58-R177 PolarHBondContact OD2-NH1 2.93Å; D58-R177 IonicContact OD2-NH2 2.74Å; D58-R177 PolarHBondContact OD2-NH2 3.46Å; M173-R177 VanDerWaalsContact O-CB 3.32Å; M173-R177 WeakPolarHBondContact O-CB 3.39Å; M173-R177 PolarHBondContact O-N 3.1Å; R174-R177 PolarHBondContact O-N 3.36Å; E175-R177 PolarHBondContact O-N 3.15Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 3.28Å; R177-K180 PolarHBondContact O-N 3.5Å; R177-M181 HydrophobicContact CG-CE 3.79Å; R177-M181 HydrophobicContact CG-SD 4.48Å; R177-M181 WeakPolarHBondContact O-CG 3.31Å; R177-M181 PolarHBondContact O-N 3.05Å; R177-M181 VanDerWaalsContact O-N 3.07Å
178G94.1Very high89.2Confident34 Ų3460 Ų6035%0.35130%0.295SS..Hα-helixtrans-57.4-45.1177.900000112.4R174 E175 V176 M181 T182R174-G178 PolarHBondContact O-N 3.08Å; E175-G178 PolarHBondContact O-N 3.09Å; V176-G178 PolarHBondContact O-N 3.05Å; G178-M181 WeakPolarHBondContact O-CB 3.5Å; G178-M181 PolarHBondContact O-N 3.3Å; G178-T182 PolarHBondContact O-N 2.67Å
179K93.4Very high87.2Confident27 Ų2762.4 Ų62.412%0.11732%0.32CS..Hα-helixtrans-62.8-46.6175.4175.8178.8174.7172.20113.2E118 K120 P122 E175 V176 R177 M181 T182 E183E118-K179 IonicContact OE2-NZ 3.14Å; E118-K179 PolarHBondContact OE2-NZ 2.68Å; K120-K179 VanDerWaalsContact O-CD 3.3Å; K120-K179 WeakPolarHBondContact O-CD 3.44Å; K120-K179 WeakPolarHBondContact O-CE 3.33Å; K120-K179 PolarHBondContact O-NZ 3.28Å; P122-K179 HydrophobicContact CG-CB 4.38Å; P122-K179 HydrophobicContact CG-CD 3.86Å; E175-K179 PolarHBondContact O-N 3.11Å; V176-K179 PolarHBondContact O-N 3.32Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 3.28Å; K179-M181 PolarHBondContact O-N 3Å; K179-T182 PolarHBondContact O-N 2.95Å; K179-T182 VanDerWaalsContact O-N 3.11Å; K179-T182 PolarHBondContact O-OG1 3.33Å; K179-E183 WeakPolarHBondContact CE-OE1 3.03Å; K179-E183 PolarHBondContact O-N 2.56Å
180K90.7Very high85Confident58 Ų5870.6 Ų70.625%0.25236%0.356SS..Hα-helixtrans-58.7-35.6177.2-71.9-178.6-179.3-171.40111.8L14 E87 V176 R177 N184L14-K180 PolarHBondContact O-NZ 3.19Å; E87-K180 WeakPolarHBondContact OE1-CE 3.21Å; E87-K180 IonicContact OE1-NZ 2.82Å; E87-K180 PolarHBondContact OE1-NZ 3.18Å; E87-K180 VanDerWaalsContact OE2-CE 3.31Å; E87-K180 WeakPolarHBondContact OE2-CE 3.27Å; E87-K180 IonicContact OE2-NZ 3.43Å; E87-K180 PolarHBondContact OE2-NZ 3.42Å; V176-K180 HydrophobicContact CG1-CD 4.38Å; V176-K180 WeakPolarHBondContact O-CG 3.42Å; V176-K180 PolarHBondContact O-N 3.02Å; R177-K180 PolarHBondContact O-N 3.5Å; K180-N184 WeakPolarHBondContact O-CB 3.45Å; K180-N184 VanDerWaalsContact O-CG 3.27Å; K180-N184 PolarHBondContact O-N 3.17Å; K180-N184 PolarHBondContact O-ND2 2.96Å
181M88.4Confident82.6Confident105 Ų10571.3 Ų71.352%0.51738%0.376SS..Hα-helixtrans-68.6-37.8176.6-70.9-179.9177.300112.9R177 G178 K179 K185R177-M181 HydrophobicContact CG-CE 3.79Å; R177-M181 HydrophobicContact CG-SD 4.48Å; R177-M181 WeakPolarHBondContact O-CG 3.31Å; R177-M181 PolarHBondContact O-N 3.05Å; R177-M181 VanDerWaalsContact O-N 3.07Å; G178-M181 WeakPolarHBondContact O-CB 3.5Å; G178-M181 PolarHBondContact O-N 3.3Å; K179-M181 PolarHBondContact O-N 3Å; M181-K185 WeakPolarHBondContact O-CG 3.46Å; M181-K185 PolarHBondContact O-N 3.27Å
182T86.8Confident80.1Confident78 Ų7879 Ų7948%0.47941%0.408SS..Hα-helixtrans-68.4-45.9176.850.70000111.5G178 K179 N184 K185 D186G178-T182 PolarHBondContact O-N 2.67Å; K179-T182 PolarHBondContact O-N 2.95Å; K179-T182 VanDerWaalsContact O-N 3.11Å; K179-T182 PolarHBondContact O-OG1 3.33Å; T182-N184 VanDerWaalsContact C-N 3.29Å; T182-N184 PolarHBondContact O-N 3.45Å; T182-K185 WeakPolarHBondContact O-CB 3.37Å; T182-K185 PolarHBondContact O-N 3.43Å; T182-K185 VanDerWaalsContact O-N 3.08Å; T182-D186 PolarHBondContact O-N 3.26Å
183E84.1Confident77.4Confident76 Ų7685.9 Ų85.936%0.35545%0.445SS..Hα-helixtrans-60.3-37.2178.5-69.5176.1-171.600113K179 D186 K187K179-E183 WeakPolarHBondContact CE-OE1 3.03Å; K179-E183 PolarHBondContact O-N 2.56Å; E183-D186 PolarHBondContact O-N 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.08Å
184N79.8Confident74.9Confident94 Ų9495.3 Ų95.350%0.50349%0.485SS..Hα-helixtrans-69-33.3177.3-76.8-22.3000112.7K180 T182 N188K180-N184 WeakPolarHBondContact O-CB 3.45Å; K180-N184 VanDerWaalsContact O-CG 3.27Å; K180-N184 PolarHBondContact O-N 3.17Å; K180-N184 PolarHBondContact O-ND2 2.96Å; T182-N184 VanDerWaalsContact C-N 3.29Å; T182-N184 PolarHBondContact O-N 3.45Å; N184-N188 PolarHBondContact O-N 3.29Å
185K77.2Confident72.3Confident157 Ų157101 Ų10168%0.68351%0.512SS*.Hα-helixtrans-67.7-41.8175.2-75.2178179.7177.60111.4M181 T182 K187 N188 G189M181-K185 WeakPolarHBondContact O-CG 3.46Å; M181-K185 PolarHBondContact O-N 3.27Å; T182-K185 WeakPolarHBondContact O-CB 3.37Å; T182-K185 PolarHBondContact O-N 3.43Å; T182-K185 VanDerWaalsContact O-N 3.08Å; K185-K187 PolarHBondContact O-N 2.93Å; K185-N188 PolarHBondContact O-N 3.12Å; K185-G189 PolarHBondContact O-N 2.84Å
186D72.1Confident69.8Low105 Ų105103.9 Ų103.956%0.56154%0.537SS*.Hα-helixtrans-66.5-37.6-179.8-67.2-30.4000112.7T182 E183 G189 K190T182-D186 PolarHBondContact O-N 3.26Å; E183-D186 PolarHBondContact O-N 3.26Å; D186-G189 PolarHBondContact O-N 3.39Å; D186-K190 PolarHBondContact O-N 3.28Å
187K66.6Low67.3Low140 Ų140113.6 Ų113.661%0.60958%0.58SS**Hα-helixtrans-64.1-42.2174-71.1172.6-174.11690111.8E183 K185E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.08Å; K185-K187 PolarHBondContact O-N 2.93Å
188N61.7Low65Low132 Ų132121.4 Ų121.471%0.70662%0.615SS**Hα-helixtrans-74.2-29.1177.9-86.5-13.6000113.7N184 K185N184-N188 PolarHBondContact O-N 3.29Å; K185-N188 PolarHBondContact O-N 3.12Å
189G56.7Low62.6Low50 Ų50125 Ų12552%0.51564%0.635SS.*Hα-helixtrans-69.4-39.6175.900000113.5K185 D186 G191K185-G189 PolarHBondContact O-N 2.84Å; D186-G189 PolarHBondContact O-N 3.39Å; G189-G191 VanDerWaalsContact C-N 3.27Å; G189-G191 PolarHBondContact O-N 3.39Å
190K53.1Low60.2Low173 Ų173131.2 Ų131.275%0.75266%0.662SS**Hα-helixtrans-70.1-18.6177.9-75.7178.4177.7170.90113.8D186D186-K190 PolarHBondContact O-N 3.28Å
191G46.6Very low57.9Low59 Ų59140.4 Ų140.461%0.60870%0.695SS**THydrogen-bonded Turntrans-75.9-23.6179.100000115.5G189G189-G191 VanDerWaalsContact C-N 3.27Å; G189-G191 PolarHBondContact O-N 3.39Å
192K46.6Very low55.8Low189 Ų189143 Ų14382%0.82271%0.706SS**SBendtrans-87.4-15.4-177.1-74.8-172.5177.1178.60114.7
193N42.1Very low53.8Low145 Ų145150.7 Ų150.778%0.77573%0.726SS**SBendtrans-100.28.4-173.5-121.28.2000115.6
194K45.4Very low51.5Low197 Ų197153 Ų15386%0.85775%0.749SS**SBendtrans-104.38.3-179.9-113.3-179.5-177.21760115.5
195K43.1Very low49.7Very low207 Ų207154 Ų15490%0.976%0.762SS**SBendtrans-106.97.8-177.5-91.4-169.4178.5-178.70117.2
196S45.3Very low48Very low104 Ų104153.5 Ų153.573%0.72777%0.767SS**SBendtrans-120.722.5-178.774.30000117.3
197K43.3Very low46.7Very low206 Ų206159.8 Ų159.890%0.89680%0.799SS**  trans-12467.4168.8-74.3-170178.2179.90112.5
198K48.8Very low45.7Very low213 Ų213160.8 Ų160.893%0.92681%0.808SS**  trans-144.780.3159.4-103.6-169.5179.6-178.50110.4
199S43.8Very low44.9Very low110 Ų110162.3 Ų162.377%0.76981%0.814SS**  trans-177.2123.1161.4-174.50000103.1
200F41.7Very low44.2Very low158 Ų158168.6 Ų168.669%0.69383%0.83SS**  cis-168.9125.944.1-168.7-117.6000104.4E202F200-E202 HydrophobicContact CD1-CG 3.8Å; F200-E202 HydrophobicContact CE1-CG 3.34Å; F200-E202 WeakPolarHBondContact CE1-OE1 3.15Å; F200-E202 HydrophobicContact CZ-CG 4.14Å
201R43.2Very low43.7Very low251 Ų251168.3 Ų168.395%0.94784%0.835SS**  trans-116.5102.6163.1-108.8-179.4102.41784.5106.4R203R201-R203 PolarHBondContact O-N 3.32Å
202E44Very low43.5Very low160 Ų160175.1 Ų175.175%0.74885%0.849SS**  trans-53.1125.9171.2-90160.1154.200110.5F200F200-E202 HydrophobicContact CD1-CG 3.8Å; F200-E202 HydrophobicContact CE1-CG 3.34Å; F200-E202 WeakPolarHBondContact CE1-OE1 3.15Å; F200-E202 HydrophobicContact CZ-CG 4.14Å
203R45.1Very low43.3Very low239 Ų239174.2 Ų174.290%0.90285%0.851SS**  trans-80.6108.2156-91.2179.1-99.5-157.7-5.8106.5R201R201-R203 PolarHBondContact O-N 3.32Å
204C36.6Very low43.4Very low124 Ų124176.3 Ų176.384%0.83886%0.856SS**  trans-88.8101.4163.7-145.50000107.6
205C41.5Very low43.2Very low114 Ų114174.7 Ų174.777%0.7786%0.856SS**  trans-95.8133.1152.8-82.20000106.6
206L41.7Very low43.2Very low148 Ų148172 Ų17278%0.77585%0.853SS**  trans-173.1104.2151.5-94.9155.8000104.4
207L43.8Very low43Very low237 Ų237178.2 Ų178.2100%1.24186%0.864SS**  69.80106.6-75.7-177000113

Retrieved 207 of 207 residues in 359.9 ms (Link to these results)

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