A0A077HCQ5_DROME Loading...

Alcohol dehydrogenase

AlphaFold DB , UniProt , Accession A0A077HCQ5, Species DROME (Drosophila melanogaster, Fruit fly), Gene Adh, Length 238 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
1M48.8Very low90Very high246 Ų24662.5 Ų62.5100%1.21234%0.343SS*.  0132.10-69.9175.6-167.800107.2
2S68.5Low90.8Very high110 Ų11057.3 Ų57.377%0.76932%0.315SS*.  trans-64.5140.3174.549.30000109.8
3F89.2Confident91.4Very high39 Ų3953.2 Ų53.217%0.17129%0.292CS..  trans-62.5140.4172.9174-100.3000109.4L5 K8 V89 I134 I227 N230F3-L5 HydrophobicContact CE1-CD2 3.85Å; F3-L5 HydrophobicContact CE1-CG 4.11Å; F3-L5 HydrophobicContact CZ-CD2 4.34Å; F3-K8 HydrophobicContact CE2-CD 4.44Å; F3-K8 HydrophobicContact CZ-CD 4.47Å; F3-K8 HydrophobicContact CZ-CG 4.34Å; F3-V89 HydrophobicContact CE1-CG2 4.48Å; F3-V89 HydrophobicContact CZ-CG2 3.85Å; F3-I134 HydrophobicContact CD2-CD1 3.94Å; F3-I134 HydrophobicContact CE2-CD1 3.39Å; F3-I134 HydrophobicContact CZ-CD1 3.73Å; F3-I227 WeakPolarHBondContact CD1-O 3.31Å; F3-I227 HydrophobicContact CE1-CG2 4.02Å; F3-N230 HydrophobicContact CB-CB 3.43Å; F3-N230 VanDerWaalsContact CB-CB 3.43Å; F3-N230 HydrophobicContact CD1-CB 4.03Å; F3-N230 HydrophobicContact CD2-CB 4.49Å; F3-N230 HydrophobicContact CG-CB 3.76Å
4T94.8Very high91.9Very high70 Ų7050.6 Ų50.643%0.42928%0.282SS..  trans-123.9135.9176.7177.60000110.8T6 K8T4-T6 VanDerWaalsContact C-N 3.32Å; T4-T6 PolarHBondContact OG1-N 2.89Å; T4-T6 PolarHBondContact OG1-OG1 3.2Å; T4-K8 WeakPolarHBondContact O-CE 3.34Å; T4-K8 WeakPolarHBondContact O-CG 3.39Å; T4-K8 PolarHBondContact O-NZ 3.07Å
5L97.5Very high92.2Very high3 Ų347.3 Ų47.32%0.01626%0.263CS..  trans-76.9-16.5175.5-78.6171000113F3 N7 K8 V10 L27 R30 L32 V224 I227 E228F3-L5 HydrophobicContact CE1-CD2 3.85Å; F3-L5 HydrophobicContact CE1-CG 4.11Å; F3-L5 HydrophobicContact CZ-CD2 4.34Å; L5-N7 PolarHBondContact O-N 3.04Å; L5-K8 VanDerWaalsContact O-CB 3.29Å; L5-K8 WeakPolarHBondContact O-CB 3.29Å; L5-K8 VanDerWaalsContact O-CG 3.31Å; L5-K8 WeakPolarHBondContact O-CG 3.5Å; L5-K8 PolarHBondContact O-N 2.73Å; L5-V10 HydrophobicContact CD2-CG2 4.4Å; L5-L27 HydrophobicContact CD1-CD2 3.77Å; L5-L27 HydrophobicContact CD2-CD2 4.47Å; L5-R30 HydrophobicContact CB-CB 3.75Å; L5-R30 HydrophobicContact CB-CG 4.31Å; L5-R30 HydrophobicContact CD1-CB 4.22Å; L5-R30 HydrophobicContact CD1-CG 4.15Å; L5-L32 HydrophobicContact CB-CD2 3.8Å; L5-L32 HydrophobicContact CD2-CD2 4.05Å; L5-L32 HydrophobicContact CG-CD2 4.44Å; L5-L32 VanDerWaalsContact O-CD2 3.23Å; L5-L32 WeakPolarHBondContact O-CD2 3.42Å; L5-V224 HydrophobicContact CD1-CG1 3.72Å; L5-I227 HydrophobicContact CD1-CG2 4.15Å; L5-I227 HydrophobicContact CD2-CG2 3.89Å; L5-I227 HydrophobicContact CG-CG2 4.27Å; L5-E228 HydrophobicContact CD1-CG 4.03Å; L5-E228 HydrophobicContact CG-CG 4.49Å
6T98.1Very high92.5Very high59 Ų5945.1 Ų45.136%0.36225%0.251SS..THydrogen-bonded Turntrans-54.7131.5177.1-52.30000111.2T4 K8 D31T4-T6 VanDerWaalsContact C-N 3.32Å; T4-T6 PolarHBondContact OG1-N 2.89Å; T4-T6 PolarHBondContact OG1-OG1 3.2Å; T6-K8 PolarHBondContact O-N 3.27Å; T6-K8 PolarHBondContact O-NZ 3.24Å; T6-D31 WeakPolarHBondContact CA-O 3.31Å; T6-D31 HydrophobicContact CG2-CB 4.19Å
7N98.1Very high92.4Very high115 Ų11544.8 Ų44.862%0.61526%0.26SS*.THydrogen-bonded Turntrans5920.1-178-67.4-39.7000115.6L5 D31L5-N7 PolarHBondContact O-N 3.04Å; N7-D31 PolarHBondContact N-O 3.32Å
8K98.6Very high92.4Very high43 Ų4343.9 Ų43.919%0.18726%0.262CS..  trans-86.2152.5176-61.1-66.7173.8-64.40112.7F3 T4 L5 T6 L32 K33 N34 D88F3-K8 HydrophobicContact CE2-CD 4.44Å; F3-K8 HydrophobicContact CZ-CD 4.47Å; F3-K8 HydrophobicContact CZ-CG 4.34Å; T4-K8 WeakPolarHBondContact O-CE 3.34Å; T4-K8 WeakPolarHBondContact O-CG 3.39Å; T4-K8 PolarHBondContact O-NZ 3.07Å; L5-K8 VanDerWaalsContact O-CB 3.29Å; L5-K8 WeakPolarHBondContact O-CB 3.29Å; L5-K8 VanDerWaalsContact O-CG 3.31Å; L5-K8 WeakPolarHBondContact O-CG 3.5Å; L5-K8 PolarHBondContact O-N 2.73Å; T6-K8 PolarHBondContact O-N 3.27Å; T6-K8 PolarHBondContact O-NZ 3.24Å; K8-L32 HydrophobicContact CB-CD2 4.46Å; K8-K33 PolarHBondContact O-N 2.93Å; K8-N34 PolarHBondContact O-N 3.2Å; K8-D88 WeakPolarHBondContact CA-OD2 3.29Å; K8-D88 HydrophobicContact CB-CB 4.18Å; K8-D88 HydrophobicContact CD-CB 3.7Å; K8-D88 HydrophobicContact CG-CB 4.41Å
9N98.9Very high92.5Very high2 Ų243.2 Ų43.21%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-101.4114170.9-67.1-21000108.8K33 N34 L84 T86 D88 V89N9-K33 WeakPolarHBondContact OD1-CB 3.33Å; N9-N34 WeakPolarHBondContact CA-O 3.23Å; N9-N34 HydrophobicContact CB-CB 4.5Å; N9-N34 PolarHBondContact OD1-ND2 2.61Å; N9-L84 HydrophobicContact CB-CD1 4.25Å; N9-T86 WeakPolarHBondContact CB-O 3.2Å; N9-T86 PolarHBondContact ND2-O 3.29Å; N9-T86 PolarHBondContact ND2-OG1 3.06Å; N9-D88 PolarHBondContact N-OD2 3.03Å; N9-D88 PolarHBondContact O-N 2.88Å; N9-V89 PolarHBondContact O-N 2.98Å
10V98.9Very high92.8Very high1 Ų141.3 Ų41.31%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-114130-176.8-178.50000109.6L5 L32 N34 L35 V36 V89 I91L5-V10 HydrophobicContact CD2-CG2 4.4Å; V10-L32 HydrophobicContact CB-CD1 4.48Å; V10-L32 HydrophobicContact CG2-CD1 4.12Å; V10-L32 HydrophobicContact CG2-CD2 4.11Å; V10-N34 PolarHBondContact N-O 3.4Å; V10-L35 HydrophobicContact CB-CD1 4.13Å; V10-L35 HydrophobicContact CG1-CD1 4.11Å; V10-V36 PolarHBondContact O-N 2.94Å; V10-V89 WeakPolarHBondContact CA-O 3.45Å; V10-V89 HydrophobicContact CG1-CB 4.3Å; V10-V89 HydrophobicContact CG2-CB 4.23Å; V10-I91 HydrophobicContact CG1-CD1 3.9Å; V10-I91 HydrophobicContact CG1-CG1 4.22Å
11I98.9Very high93Very high0 Ų040.9 Ų40.90%024%0.243CC..EExtended strand (participates in β ladder)trans-98127.3163.7-65.1177.2000107.9V36 L38 L77 I80 V87 V89 L90 I91I11-V36 CarbonylContact C-O 3.57Å; I11-V36 WeakPolarHBondContact CA-O 3.22Å; I11-V36 HydrophobicContact CG1-CB 4.09Å; I11-V36 HydrophobicContact CG1-CG2 4.49Å; I11-L38 HydrophobicContact CG2-CD1 3.55Å; I11-L38 HydrophobicContact CG2-CG 3.83Å; I11-L77 HydrophobicContact CD1-CD2 3.82Å; I11-I80 HydrophobicContact CD1-CD1 4.4Å; I11-I80 HydrophobicContact CD1-CG2 4Å; I11-I80 HydrophobicContact CG1-CG2 4.44Å; I11-V87 HydrophobicContact CB-CG1 4.46Å; I11-V87 HydrophobicContact CD1-CG1 3.85Å; I11-V87 HydrophobicContact CD1-CG2 4Å; I11-V87 HydrophobicContact CG1-CG1 3.79Å; I11-V87 HydrophobicContact CG1-CG2 4.4Å; I11-V89 PolarHBondContact N-O 3.09Å; I11-L90 HydrophobicContact CB-CD1 4Å; I11-L90 HydrophobicContact CG2-CD1 3.68Å; I11-L90 CarbonylContact O-C 3.54Å; I11-L90 WeakPolarHBondContact O-CA 3.27Å; I11-I91 PolarHBondContact O-N 2.79Å
12F98.9Very high95.4Very high0 Ų030.6 Ų30.60%019%0.193CC..EExtended strand (participates in β ladder)trans-122.1107174.7-162.7-7.3000110.5G20 T23 S24 L27 L35 V36 L38 I91 I138F12-G20 WeakPolarHBondContact CE2-O 3.49Å; F12-T23 HydrophobicContact CE2-CG2 3.87Å; F12-T23 HydrophobicContact CZ-CG2 4.26Å; F12-S24 WeakPolarHBondContact CD2-OG 3.42Å; F12-L27 HydrophobicContact CD2-CD1 4.09Å; F12-L27 HydrophobicContact CE2-CD1 4.39Å; F12-L35 HydrophobicContact CB-CD1 4.25Å; F12-V36 PolarHBondContact N-O 3.06Å; F12-L38 PolarHBondContact O-N 3.41Å; F12-I91 HydrophobicContact CB-CB 4.42Å; F12-I91 HydrophobicContact CD1-CB 3.57Å; F12-I91 HydrophobicContact CD1-CD1 4.44Å; F12-I91 HydrophobicContact CD1-CG2 3.55Å; F12-I91 HydrophobicContact CD2-CD1 4.14Å; F12-I91 HydrophobicContact CE1-CB 3.96Å; F12-I91 HydrophobicContact CE1-CG2 3.36Å; F12-I91 HydrophobicContact CE2-CD1 4.41Å; F12-I91 HydrophobicContact CG-CB 4.01Å; F12-I91 HydrophobicContact CG-CD1 4.14Å; F12-I91 HydrophobicContact CG-CG2 4.3Å; F12-I91 HydrophobicContact CZ-CG2 3.94Å; F12-I138 HydrophobicContact CE1-CD1 3.93Å; F12-I138 HydrophobicContact CZ-CD1 4.08Å
13V98.9Very high96.8Very high3 Ų325.3 Ų25.32%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-76.8126.5171.6-1770000109.8L38 Y64 V66 L90 I91 G93 A94 T116V13-L38 CarbonylContact C-O 3.49Å; V13-L38 VanDerWaalsContact CA-O 3.29Å; V13-L38 WeakPolarHBondContact CA-O 3.32Å; V13-L38 HydrophobicContact CG2-CB 4.27Å; V13-L38 HydrophobicContact CG2-CD1 4.19Å; V13-Y64 HydrophobicContact CG1-CD1 4.04Å; V13-Y64 HydrophobicContact CG1-CE1 4.02Å; V13-Y64 HydrophobicContact CG2-CD1 4.43Å; V13-Y64 HydrophobicContact CG2-CE1 4.2Å; V13-V66 HydrophobicContact CG1-CG1 3.68Å; V13-L90 HydrophobicContact CG2-CD1 4.08Å; V13-I91 PolarHBondContact N-O 3.33Å; V13-G93 CarbonylContact O-C 3.55Å; V13-G93 WeakPolarHBondContact O-CA 3.46Å; V13-G93 PolarHBondContact O-N 2.83Å; V13-A94 HydrophobicContact CG1-CB 4.02Å; V13-T116 HydrophobicContact CG2-CG2 4.21Å
14A97.9Very high97.3Very high18 Ų1823.5 Ų23.515%0.14915%0.148CC..THydrogen-bonded Turntrans61.540.4-173.100000114.4L16 L38 D39 A94A14-L16 VanDerWaalsContact C-N 3.26Å; A14-L16 PolarHBondContact O-N 3.08Å; A14-L38 PolarHBondContact N-O 3.22Å; A14-D39 WeakPolarHBondContact CA-OD2 3.25Å; A14-A94 HydrophobicContact CB-CB 4.15Å
15G96.6Very high97.5Very high0 Ų022.1 Ų22.10%014%0.136CC..THydrogen-bonded Turntrans-74-3.2-179.200000115.7G20 L21 S24G15-G20 CarbonylContact O-C 3.52Å; G15-L21 WeakPolarHBondContact O-CA 3.41Å; G15-L21 PolarHBondContact O-N 3.16Å; G15-S24 PolarHBondContact O-OG 3.38Å
16L96.9Very high97.5Very high13 Ų1322.3 Ų22.37%0.06814%0.137CC..THydrogen-bonded Turntrans-106.7-6.6-177.1-56.3176.3000114.1A14 I37 D39 N43 A46 I47 L50 F61A14-L16 VanDerWaalsContact C-N 3.26Å; A14-L16 PolarHBondContact O-N 3.08Å; L16-I37 HydrophobicContact CD1-CG2 4.04Å; L16-I37 HydrophobicContact CD2-CD1 3.69Å; L16-I37 HydrophobicContact CD2-CG2 4.04Å; L16-I37 HydrophobicContact CG-CD1 4.49Å; L16-I37 HydrophobicContact CG-CG2 3.68Å; L16-D39 WeakPolarHBondContact CB-OD2 3.32Å; L16-D39 HydrophobicContact CD1-CB 4.35Å; L16-D39 PolarHBondContact N-OD2 2.71Å; L16-N43 HydrophobicContact CD1-CB 4.08Å; L16-A46 HydrophobicContact CD2-CB 4.18Å; L16-I47 HydrophobicContact CD1-CD1 4.12Å; L16-I47 HydrophobicContact CD1-CG1 4.01Å; L16-I47 HydrophobicContact CD2-CG1 4.11Å; L16-L50 HydrophobicContact CD2-CD1 3.81Å; L16-F61 HydrophobicContact CD1-CD2 4.01Å; L16-F61 HydrophobicContact CD1-CE2 3.93Å
17G91.5Very high97.5Very high40 Ų4019.5 Ų19.541%0.41212%0.12SC..SBendtrans-103.3150.5-179.300000113.1I19 G20 L21G17-I19 PolarHBondContact O-N 2.85Å; G17-G20 VanDerWaalsContact O-CA 3.25Å; G17-G20 WeakPolarHBondContact O-CA 3.29Å; G17-G20 PolarHBondContact O-N 3Å; G17-L21 PolarHBondContact O-N 3.22Å; G17-L21 VanDerWaalsContact O-N 3.16Å
18G91.4Very high97.5Very high29 Ų2914.1 Ų14.130%0.2999%0.091SC..Hα-helixtrans39.8-120.6167.800000115G20 L21G18-G20 VanDerWaalsContact C-N 3.25Å; G18-G20 PolarHBondContact O-N 2.88Å; G18-L21 PolarHBondContact O-N 3.23Å
19I95.7Very high97.5Very high29 Ų2918.1 Ų18.115%0.14911%0.108CC..Hα-helixtrans-62.2-32.8177.4-62.2171.5000111.8G17 L21 D22 T23 P183 T186 T188 F223G17-I19 PolarHBondContact O-N 2.85Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.06Å; I19-D22 PolarHBondContact O-N 3.31Å; I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.48Å; I19-T23 PolarHBondContact O-N 3.35Å; I19-T23 PolarHBondContact O-OG1 3.48Å; I19-P183 HydrophobicContact CD1-CB 3.74Å; I19-P183 HydrophobicContact CD1-CG 3.75Å; I19-T186 HydrophobicContact CD1-CG2 4.1Å; I19-T186 HydrophobicContact CG1-CG2 3.93Å; I19-T188 HydrophobicContact CG1-CG2 4.01Å; I19-F223 HydrophobicContact CG2-CD2 4.43Å
20G97.3Very high97.4Very high5 Ų520.5 Ų20.55%0.05212%0.117CC..Hα-helixtrans-62-38.2-178.900000113.1F12 G15 G17 G18 T23 S24F12-G20 WeakPolarHBondContact CE2-O 3.49Å; G15-G20 CarbonylContact O-C 3.52Å; G17-G20 VanDerWaalsContact O-CA 3.25Å; G17-G20 WeakPolarHBondContact O-CA 3.29Å; G17-G20 PolarHBondContact O-N 3Å; G18-G20 VanDerWaalsContact C-N 3.25Å; G18-G20 PolarHBondContact O-N 2.88Å; G20-T23 PolarHBondContact O-N 3.07Å; G20-S24 WeakPolarHBondContact O-CB 3.49Å; G20-S24 PolarHBondContact O-N 3.25Å; G20-S24 PolarHBondContact O-OG 3Å
21L97.9Very high97.3Very high34 Ų3424.2 Ų24.218%0.17814%0.137CC..Hα-helixtrans-64.8-53177.8179.157.1000111.4G15 G17 G18 I19 T23 S24 K25 A46 L50G15-L21 WeakPolarHBondContact O-CA 3.41Å; G15-L21 PolarHBondContact O-N 3.16Å; G17-L21 PolarHBondContact O-N 3.22Å; G17-L21 VanDerWaalsContact O-N 3.16Å; G18-L21 PolarHBondContact O-N 3.23Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.06Å; L21-T23 VanDerWaalsContact C-N 3.27Å; L21-T23 PolarHBondContact O-N 3.24Å; L21-S24 WeakPolarHBondContact O-CB 3.45Å; L21-S24 PolarHBondContact O-N 3.1Å; L21-S24 VanDerWaalsContact O-N 3.1Å; L21-K25 WeakPolarHBondContact O-CG 3.32Å; L21-K25 PolarHBondContact O-N 2.98Å; L21-A46 HydrophobicContact CD1-CB 4.02Å; L21-L50 HydrophobicContact CD1-CD1 4.36Å; L21-L50 HydrophobicContact CD1-CD2 4.29Å; L21-L50 HydrophobicContact CD1-CG 4.35Å
22D98.4Very high97.3Very high29 Ų2924.5 Ų24.516%0.15514%0.138CC..Hα-helixtrans-64.6-34.9178.5-74.5-22.5000111.6I19 S24 K25 E26 S216 A220I19-D22 PolarHBondContact O-N 3.31Å; D22-S24 VanDerWaalsContact C-N 3.34Å; D22-S24 PolarHBondContact O-N 3.49Å; D22-K25 WeakPolarHBondContact O-CB 3.43Å; D22-K25 PolarHBondContact O-N 3.42Å; D22-E26 WeakPolarHBondContact O-CG 3.44Å; D22-E26 PolarHBondContact O-N 3.22Å; D22-S216 WeakPolarHBondContact OD2-CB 3.41Å; D22-S216 PolarHBondContact OD2-OG 3.37Å; D22-A220 VanDerWaalsContact C-CB 3.42Å; D22-A220 HydrophobicContact CB-CB 3.71Å
23T98.8Very high97.2Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-64.7-39173.2-56.20000111.3F12 I19 G20 L21 E26 L27 F223 V224F12-T23 HydrophobicContact CE2-CG2 3.87Å; F12-T23 HydrophobicContact CZ-CG2 4.26Å; I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.48Å; I19-T23 PolarHBondContact O-N 3.35Å; I19-T23 PolarHBondContact O-OG1 3.48Å; G20-T23 PolarHBondContact O-N 3.07Å; L21-T23 VanDerWaalsContact C-N 3.27Å; L21-T23 PolarHBondContact O-N 3.24Å; T23-E26 PolarHBondContact O-N 3.45Å; T23-L27 HydrophobicContact CG2-CD1 4.33Å; T23-L27 HydrophobicContact CG2-CG 4.46Å; T23-L27 WeakPolarHBondContact O-CB 3.43Å; T23-L27 VanDerWaalsContact O-CG 3.27Å; T23-L27 WeakPolarHBondContact O-CG 3.43Å; T23-L27 PolarHBondContact O-N 3.07Å; T23-F223 HydrophobicContact CG2-CB 4.07Å; T23-F223 HydrophobicContact CG2-CD1 3.72Å; T23-F223 HydrophobicContact CG2-CD2 4.25Å; T23-F223 HydrophobicContact CG2-CE1 4.25Å; T23-F223 HydrophobicContact CG2-CG 3.75Å; T23-V224 HydrophobicContact CG2-CG2 4.2Å
24S98.8Very high97.2Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-63.9-41.5173.5-64.30000111.6F12 G15 G20 L21 D22 E26 L27 L28F12-S24 WeakPolarHBondContact CD2-OG 3.42Å; G15-S24 PolarHBondContact O-OG 3.38Å; G20-S24 WeakPolarHBondContact O-CB 3.49Å; G20-S24 PolarHBondContact O-N 3.25Å; G20-S24 PolarHBondContact O-OG 3Å; L21-S24 WeakPolarHBondContact O-CB 3.45Å; L21-S24 PolarHBondContact O-N 3.1Å; L21-S24 VanDerWaalsContact O-N 3.1Å; D22-S24 VanDerWaalsContact C-N 3.34Å; D22-S24 PolarHBondContact O-N 3.49Å; S24-E26 VanDerWaalsContact C-N 3.34Å; S24-E26 PolarHBondContact O-N 3.03Å; S24-L27 PolarHBondContact O-N 2.92Å; S24-L28 VanDerWaalsContact O-CG 3.29Å; S24-L28 WeakPolarHBondContact O-CG 3.45Å; S24-L28 PolarHBondContact O-N 3.45Å; S24-L28 VanDerWaalsContact O-N 3.11Å
25K98.6Very high97.3Very high41 Ų4129.7 Ų29.718%0.17816%0.158CC..Hα-helixtrans-60.1-44.7173.8-64.3-179.6-175.4-1760111.3L21 D22 L28 E49 L50 I53L21-K25 WeakPolarHBondContact O-CG 3.32Å; L21-K25 PolarHBondContact O-N 2.98Å; D22-K25 WeakPolarHBondContact O-CB 3.43Å; D22-K25 PolarHBondContact O-N 3.42Å; K25-L28 PolarHBondContact O-N 3.29Å; K25-E49 WeakPolarHBondContact CE-OE1 3.5Å; K25-E49 VanDerWaalsContact CE-OE2 3.24Å; K25-E49 WeakPolarHBondContact CE-OE2 3.47Å; K25-E49 IonicContact NZ-OE1 3.97Å; K25-E49 PolarHBondContact NZ-OE1 3.44Å; K25-E49 IonicContact NZ-OE2 3.95Å; K25-E49 PolarHBondContact NZ-OE2 3.47Å; K25-L50 HydrophobicContact CB-CD2 4.46Å; K25-L50 HydrophobicContact CG-CD2 3.73Å; K25-I53 HydrophobicContact CB-CD1 3.72Å; K25-I53 HydrophobicContact CD-CD1 4.26Å; K25-I53 HydrophobicContact CG-CD1 3.56Å
26E98.6Very high97.4Very high8 Ų829.7 Ų29.74%0.03716%0.158CC..Hα-helixtrans-63.9-45.3176.2-76-53.712900112.3D22 T23 S24 L28 K29 R30 L217 A220 E221 V224D22-E26 WeakPolarHBondContact O-CG 3.44Å; D22-E26 PolarHBondContact O-N 3.22Å; T23-E26 PolarHBondContact O-N 3.45Å; S24-E26 VanDerWaalsContact C-N 3.34Å; S24-E26 PolarHBondContact O-N 3.03Å; E26-L28 PolarHBondContact O-N 3.4Å; E26-K29 VanDerWaalsContact O-CB 3.32Å; E26-K29 WeakPolarHBondContact O-CB 3.46Å; E26-K29 PolarHBondContact O-N 3.12Å; E26-K29 WeakPolarHBondContact OE1-CE 3.27Å; E26-K29 IonicContact OE1-NZ 3.04Å; E26-K29 PolarHBondContact OE1-NZ 3.23Å; E26-K29 IonicContact OE2-NZ 2.92Å; E26-K29 PolarHBondContact OE2-NZ 3.4Å; E26-R30 VanDerWaalsContact C-NH1 3.3Å; E26-R30 VanDerWaalsContact O-CD 3.29Å; E26-R30 WeakPolarHBondContact O-CD 3.5Å; E26-R30 PolarHBondContact O-NH1 3.5Å; E26-R30 IonicContact OE2-CZ 3.89Å; E26-R30 IonicContact OE2-NH1 3.91Å; E26-R30 PolarHBondContact OE2-NH1 2.9Å; E26-L217 HydrophobicContact CG-CD1 4.44Å; E26-L217 WeakPolarHBondContact OE1-CD1 3.32Å; E26-A220 HydrophobicContact CB-CB 4.46Å; E26-A220 HydrophobicContact CG-CB 3.77Å; E26-E221 HydrophobicContact CG-CG 4.28Å; E26-V224 HydrophobicContact CB-CB 4.48Å; E26-V224 HydrophobicContact CB-CG2 3.59Å
27L98.6Very high97.5Very high0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-56.6-39177.1-79.2171.9000112.1L5 F12 T23 S24 K29 R30 L32 L35 I91 V224 I227L5-L27 HydrophobicContact CD1-CD2 3.77Å; L5-L27 HydrophobicContact CD2-CD2 4.47Å; F12-L27 HydrophobicContact CD2-CD1 4.09Å; F12-L27 HydrophobicContact CE2-CD1 4.39Å; T23-L27 HydrophobicContact CG2-CD1 4.33Å; T23-L27 HydrophobicContact CG2-CG 4.46Å; T23-L27 WeakPolarHBondContact O-CB 3.43Å; T23-L27 VanDerWaalsContact O-CG 3.27Å; T23-L27 WeakPolarHBondContact O-CG 3.43Å; T23-L27 PolarHBondContact O-N 3.07Å; S24-L27 PolarHBondContact O-N 2.92Å; L27-K29 PolarHBondContact O-N 2.94Å; L27-R30 WeakPolarHBondContact O-CB 3.41Å; L27-R30 PolarHBondContact O-N 3.11Å; L27-L32 HydrophobicContact CB-CD1 4.16Å; L27-L35 HydrophobicContact CD1-CD1 4.4Å; L27-I91 HydrophobicContact CD1-CD1 3.84Å; L27-V224 HydrophobicContact CD2-CG1 4.21Å; L27-V224 HydrophobicContact CD2-CG2 3.97Å; L27-V224 HydrophobicContact CG-CG2 3.94Å; L27-I227 HydrophobicContact CD2-CD1 3.93Å
28L98.4Very high97.8Very high1 Ų127.3 Ų27.31%0.00514%0.136CC..Hα-helixtrans-69.7-13.3-179.7-68.9171.5000114.2S24 K25 E26 R30 L35 L50 I53 N54 V57 V59S24-L28 VanDerWaalsContact O-CG 3.29Å; S24-L28 WeakPolarHBondContact O-CG 3.45Å; S24-L28 PolarHBondContact O-N 3.45Å; S24-L28 VanDerWaalsContact O-N 3.11Å; K25-L28 PolarHBondContact O-N 3.29Å; E26-L28 PolarHBondContact O-N 3.4Å; L28-R30 PolarHBondContact O-N 2.91Å; L28-L35 HydrophobicContact CD1-CD2 4.19Å; L28-L35 HydrophobicContact CD2-CB 4.28Å; L28-L35 HydrophobicContact CD2-CD2 3.9Å; L28-L35 HydrophobicContact CG-CD2 3.94Å; L28-L50 HydrophobicContact CD1-CB 3.65Å; L28-L50 HydrophobicContact CD1-CD2 3.62Å; L28-L50 HydrophobicContact CD1-CG 4.18Å; L28-L50 VanDerWaalsContact CD1-O 3.25Å; L28-L50 WeakPolarHBondContact CD1-O 3.44Å; L28-I53 HydrophobicContact CB-CB 4.37Å; L28-I53 HydrophobicContact CB-CG2 3.85Å; L28-N54 HydrophobicContact CB-CB 4.49Å; L28-N54 VanDerWaalsContact O-CB 3.29Å; L28-N54 WeakPolarHBondContact O-CB 3.32Å; L28-N54 PolarHBondContact O-ND2 3.47Å; L28-N54 VanDerWaalsContact O-ND2 3.08Å; L28-V57 HydrophobicContact CD2-CB 3.74Å; L28-V57 HydrophobicContact CD2-CG1 3.54Å; L28-V57 HydrophobicContact CD2-CG2 3.96Å; L28-V59 HydrophobicContact CD1-CG2 4.3Å; L28-V59 HydrophobicContact CD2-CG2 3.92Å
29K97.4Very high98.1Very high127 Ų12727.3 Ų27.355%0.55213%0.129SC*.THydrogen-bonded Turntrans-73.1-9.9167.8-57.9178.5-178.3173.70112.9E26 L27E26-K29 VanDerWaalsContact O-CB 3.32Å; E26-K29 WeakPolarHBondContact O-CB 3.46Å; E26-K29 PolarHBondContact O-N 3.12Å; E26-K29 WeakPolarHBondContact OE1-CE 3.27Å; E26-K29 IonicContact OE1-NZ 3.04Å; E26-K29 PolarHBondContact OE1-NZ 3.23Å; E26-K29 IonicContact OE2-NZ 2.92Å; E26-K29 PolarHBondContact OE2-NZ 3.4Å; L27-K29 PolarHBondContact O-N 2.94Å
30R96.5Very high98.2Very high53 Ų5332.6 Ų32.620%0.215%0.147CC..SBendtrans-111.858.7-177.4-70.275.2169.8179.92.8112.7L5 E26 L27 L28 L32 V224 E228L5-R30 HydrophobicContact CB-CB 3.75Å; L5-R30 HydrophobicContact CB-CG 4.31Å; L5-R30 HydrophobicContact CD1-CB 4.22Å; L5-R30 HydrophobicContact CD1-CG 4.15Å; E26-R30 VanDerWaalsContact C-NH1 3.3Å; E26-R30 VanDerWaalsContact O-CD 3.29Å; E26-R30 WeakPolarHBondContact O-CD 3.5Å; E26-R30 PolarHBondContact O-NH1 3.5Å; E26-R30 IonicContact OE2-CZ 3.89Å; E26-R30 IonicContact OE2-NH1 3.91Å; E26-R30 PolarHBondContact OE2-NH1 2.9Å; L27-R30 WeakPolarHBondContact O-CB 3.41Å; L27-R30 PolarHBondContact O-N 3.11Å; L28-R30 PolarHBondContact O-N 2.91Å; R30-L32 WeakPolarHBondContact O-CD2 3.29Å; R30-L32 PolarHBondContact O-N 3.25Å; R30-V224 VanDerWaalsContact NE-CG1 3.29Å; R30-E228 WeakPolarHBondContact CG-OE1 3.36Å; R30-E228 IonicContact CZ-OE1 2.97Å; R30-E228 IonicContact NE-OE1 2.64Å; R30-E228 PolarHBondContact NE-OE1 3.47Å; R30-E228 IonicContact NH2-OE1 3.16Å
31D96.8Very high98Very high78 Ų7837.5 Ų37.542%0.41717%0.171SC..  trans20.154.2170.6-71.1-28.8000116T6 N7 N54T6-D31 WeakPolarHBondContact CA-O 3.31Å; T6-D31 HydrophobicContact CG2-CB 4.19Å; N7-D31 PolarHBondContact N-O 3.32Å; D31-N54 PolarHBondContact OD1-ND2 3.48Å; D31-N54 VanDerWaalsContact OD1-ND2 3.07Å
32L98.5Very high97.8Very high6 Ų641.5 Ų41.53%0.03119%0.189CC..  trans-66.2157.1179.3-61.3-176.9000108.6L5 K8 V10 L27 R30 L35 V57L5-L32 HydrophobicContact CB-CD2 3.8Å; L5-L32 HydrophobicContact CD2-CD2 4.05Å; L5-L32 HydrophobicContact CG-CD2 4.44Å; L5-L32 VanDerWaalsContact O-CD2 3.23Å; L5-L32 WeakPolarHBondContact O-CD2 3.42Å; K8-L32 HydrophobicContact CB-CD2 4.46Å; V10-L32 HydrophobicContact CB-CD1 4.48Å; V10-L32 HydrophobicContact CG2-CD1 4.12Å; V10-L32 HydrophobicContact CG2-CD2 4.11Å; L27-L32 HydrophobicContact CB-CD1 4.16Å; R30-L32 WeakPolarHBondContact O-CD2 3.29Å; R30-L32 PolarHBondContact O-N 3.25Å; L32-L35 HydrophobicContact CD1-CB 4.13Å; L32-L35 HydrophobicContact CD1-CD1 4.42Å; L32-V57 HydrophobicContact CB-CG1 3.78Å; L32-V57 HydrophobicContact CB-CG2 4.2Å; L32-V57 WeakPolarHBondContact O-CG2 3.48Å
33K98.5Very high97.7Very high115 Ų11543.3 Ų43.350%0.520%0.198SC..SBendtrans-80.1-49.7167.7-168.9-175.3179.7178.50110.1K8 N9 T58K8-K33 PolarHBondContact O-N 2.93Å; N9-K33 WeakPolarHBondContact OD1-CB 3.33Å; K33-T58 PolarHBondContact O-N 2.96Å
34N98.9Very high97.6Very high15 Ų1547.3 Ų47.38%0.0822%0.224CC..EExtended strand (participates in β ladder)trans-138.6137.3178.4-63.7-90.5000111.1K8 N9 V10 T58 L84K8-N34 PolarHBondContact O-N 3.2Å; N9-N34 WeakPolarHBondContact CA-O 3.23Å; N9-N34 HydrophobicContact CB-CB 4.5Å; N9-N34 PolarHBondContact OD1-ND2 2.61Å; V10-N34 PolarHBondContact N-O 3.4Å; N34-T58 CarbonylContact C-O 3.59Å; N34-T58 WeakPolarHBondContact CA-O 3.32Å; N34-T58 WeakPolarHBondContact OD1-CB 3.36Å; N34-L84 HydrophobicContact CB-CD1 4.18Å; N34-L84 HydrophobicContact CB-CD2 4.12Å; N34-L84 VanDerWaalsContact CG-CD2 3.5Å; N34-L84 WeakPolarHBondContact OD1-CD2 3.45Å
35L98.8Very high97.5Very high0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-115.8108.2163178.662.4000108.4V10 F12 L27 L28 L32 I37 V57 T58 V59 T60V10-L35 HydrophobicContact CB-CD1 4.13Å; V10-L35 HydrophobicContact CG1-CD1 4.11Å; F12-L35 HydrophobicContact CB-CD1 4.25Å; L27-L35 HydrophobicContact CD1-CD1 4.4Å; L28-L35 HydrophobicContact CD1-CD2 4.19Å; L28-L35 HydrophobicContact CD2-CB 4.28Å; L28-L35 HydrophobicContact CD2-CD2 3.9Å; L28-L35 HydrophobicContact CG-CD2 3.94Å; L32-L35 HydrophobicContact CD1-CB 4.13Å; L32-L35 HydrophobicContact CD1-CD1 4.42Å; L35-I37 HydrophobicContact CD2-CD1 4.45Å; L35-I37 HydrophobicContact CG-CG1 4.2Å; L35-V57 HydrophobicContact CB-CG1 4.34Å; L35-T58 PolarHBondContact N-O 3.05Å; L35-V59 HydrophobicContact CB-CG2 4.48Å; L35-V59 WeakPolarHBondContact O-CA 3.13Å; L35-T60 PolarHBondContact O-N 3.49Å
36V98.9Very high97.4Very high1 Ų149 Ų491%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-97.7118.4177-174.20000108.8V10 I11 F12 L38 Y62 I80 L84V10-V36 PolarHBondContact O-N 2.94Å; I11-V36 CarbonylContact C-O 3.57Å; I11-V36 WeakPolarHBondContact CA-O 3.22Å; I11-V36 HydrophobicContact CG1-CB 4.09Å; I11-V36 HydrophobicContact CG1-CG2 4.49Å; F12-V36 PolarHBondContact N-O 3.06Å; V36-L38 HydrophobicContact CG1-CD2 3.94Å; V36-Y62 HydrophobicContact CG1-CD2 3.73Å; V36-Y62 HydrophobicContact CG1-CE2 3.81Å; V36-I80 HydrophobicContact CG1-CD1 4.08Å; V36-I80 HydrophobicContact CG1-CG1 4.4Å; V36-I80 HydrophobicContact CG1-CG2 4.46Å; V36-I80 HydrophobicContact CG2-CG2 4.26Å; V36-L84 HydrophobicContact CG2-CD1 3.61Å
37I98.9Very high97.3Very high0 Ų049.2 Ų49.20%025%0.247CC..EExtended strand (participates in β ladder)trans-100.8124.2-179.9-61.1179.4000108.6L16 L35 D39 L50 V59 T60 F61 Y62L16-I37 HydrophobicContact CD1-CG2 4.04Å; L16-I37 HydrophobicContact CD2-CD1 3.69Å; L16-I37 HydrophobicContact CD2-CG2 4.04Å; L16-I37 HydrophobicContact CG-CD1 4.49Å; L16-I37 HydrophobicContact CG-CG2 3.68Å; L35-I37 HydrophobicContact CD2-CD1 4.45Å; L35-I37 HydrophobicContact CG-CG1 4.2Å; I37-D39 HydrophobicContact CG2-CB 4.46Å; I37-L50 HydrophobicContact CD1-CD1 3.46Å; I37-L50 VanDerWaalsContact CD1-CD1 3.46Å; I37-V59 HydrophobicContact CD1-CG1 4.01Å; I37-T60 PolarHBondContact N-O 3.27Å; I37-F61 HydrophobicContact CB-CD2 4.36Å; I37-F61 HydrophobicContact CG2-CD2 4.02Å; I37-F61 WeakPolarHBondContact O-CA 3.38Å; I37-Y62 PolarHBondContact O-N 3.34Å
38L98.8Very high97.3Very high2 Ų252 Ų521%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-111.4110.7173.3-52.5-173.9000107.9I11 F12 V13 A14 V36 Y62 Y64 L76 I80I11-L38 HydrophobicContact CG2-CD1 3.55Å; I11-L38 HydrophobicContact CG2-CG 3.83Å; F12-L38 PolarHBondContact O-N 3.41Å; V13-L38 CarbonylContact C-O 3.49Å; V13-L38 VanDerWaalsContact CA-O 3.29Å; V13-L38 WeakPolarHBondContact CA-O 3.32Å; V13-L38 HydrophobicContact CG2-CB 4.27Å; V13-L38 HydrophobicContact CG2-CD1 4.19Å; A14-L38 PolarHBondContact N-O 3.22Å; V36-L38 HydrophobicContact CG1-CD2 3.94Å; L38-Y62 WeakPolarHBondContact CA-O 3.24Å; L38-Y62 HydrophobicContact CD2-CD2 3.94Å; L38-Y62 HydrophobicContact CD2-CG 4.23Å; L38-Y64 HydrophobicContact CB-CD1 3.69Å; L38-Y64 HydrophobicContact CB-CG 4.06Å; L38-Y64 HydrophobicContact CD1-CD1 4.1Å; L38-Y64 HydrophobicContact CD1-CG 4.49Å; L38-L76 HydrophobicContact CD1-CD2 4.45Å; L38-L76 HydrophobicContact CD2-CD2 4.23Å; L38-I80 HydrophobicContact CD1-CD1 4.35Å; L38-I80 HydrophobicContact CD2-CD1 3.81Å
39D98.2Very high97.2Very high30 Ų3056 Ų5616%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-141.7156179.7-143-33.6000111A14 L16 I37 I41 F61 Y62 P63 Y64A14-D39 WeakPolarHBondContact CA-OD2 3.25Å; L16-D39 WeakPolarHBondContact CB-OD2 3.32Å; L16-D39 HydrophobicContact CD1-CB 4.35Å; L16-D39 PolarHBondContact N-OD2 2.71Å; I37-D39 HydrophobicContact CG2-CB 4.46Å; D39-I41 VanDerWaalsContact C-N 3.34Å; D39-F61 HydrophobicContact CB-CE2 3.75Å; D39-F61 HydrophobicContact CB-CZ 4.48Å; D39-Y62 PolarHBondContact N-O 3.11Å; D39-P63 CarbonylContact O-C 3.54Å; D39-P63 VanDerWaalsContact O-CA 3.31Å; D39-P63 WeakPolarHBondContact O-CA 3.48Å; D39-Y64 CarbonylContact C-O 3.14Å; D39-Y64 PolarHBondContact O-N 3.35Å
40R96.5Very high97.3Very high139 Ų13950 Ų5053%0.52526%0.263SS..SBendtrans-70.9-35.4-176.5-172178.966.5127.90.3111.7Y64 D65R40-Y64 VanDerWaalsContact CA-O 3.31Å; R40-Y64 WeakPolarHBondContact CA-O 3.44Å; R40-Y64 PolarHBondContact N-O 2.71Å; R40-D65 HydrophobicContact CG-CB 4.39Å
41I94Very high97.3Very high109 Ų10952.6 Ų52.656%0.55928%0.276SS*.SBendtrans-121.1127.3-175.7-56.9177.1000108.1D39D39-I41 VanDerWaalsContact C-N 3.34Å
42E93.8Very high97.4Very high118 Ų11852.4 Ų52.455%0.55129%0.285SS*.  trans-68.8137173-169175-158.300110.4P44 I47 F61E42-P44 HydrophobicContact CG-CG 4.16Å; E42-I47 HydrophobicContact CG-CD1 3.86Å; E42-F61 HydrophobicContact CB-CD1 4.3Å; E42-F61 HydrophobicContact CB-CE1 3.6Å; E42-F61 HydrophobicContact CB-CZ 3.8Å; E42-F61 HydrophobicContact CG-CD1 3.89Å; E42-F61 HydrophobicContact CG-CE1 3.72Å; E42-F61 HydrophobicContact CG-CG 4.49Å; E42-F61 HydrophobicContact CG-CZ 4.18Å
43N95.6Very high97.4Very high66 Ų6655.3 Ų55.335%0.35330%0.3SS..  trans-124.388.1170.9-174.7-18.2000109.2L16 A45 A46 I47L16-N43 HydrophobicContact CD1-CB 4.08Å; N43-A45 PolarHBondContact O-N 2.83Å; N43-A45 PolarHBondContact OD1-N 2.75Å; N43-A46 HydrophobicContact CB-CB 4.01Å; N43-A46 PolarHBondContact O-N 2.77Å; N43-A46 PolarHBondContact OD1-N 3.41Å; N43-A46 VanDerWaalsContact OD1-N 3.12Å; N43-I47 WeakPolarHBondContact O-CG1 3.34Å; N43-I47 PolarHBondContact O-N 2.97Å
44P95.9Very high97.4Very high84 Ų8450.8 Ų50.855%0.54528%0.281SS..Hα-helixtrans-59-34.7-174.8-26.535.5000113.3E42 I47 A48E42-P44 HydrophobicContact CG-CG 4.16Å; P44-I47 PolarHBondContact O-N 2.88Å; P44-A48 VanDerWaalsContact O-CB 3.29Å; P44-A48 WeakPolarHBondContact O-CB 3.33Å; P44-A48 PolarHBondContact O-N 3.25Å
45A96.5Very high97.3Very high73 Ų7355.3 Ų55.360%0.60331%0.311SS*.Hα-helixtrans-65.9-47.1178.100000111.5N43 A48 E49N43-A45 PolarHBondContact O-N 2.83Å; N43-A45 PolarHBondContact OD1-N 2.75Å; A45-A48 PolarHBondContact O-N 2.75Å; A45-E49 PolarHBondContact O-N 3.21Å
46A96.7Very high97.2Very high4 Ų463.6 Ų63.63%0.03335%0.347CS..Hα-helixtrans-64.8-41176.200000111.8L16 L21 N43 A48 E49 L50L16-A46 HydrophobicContact CD2-CB 4.18Å; L21-A46 HydrophobicContact CD1-CB 4.02Å; N43-A46 HydrophobicContact CB-CB 4.01Å; N43-A46 PolarHBondContact O-N 2.77Å; N43-A46 PolarHBondContact OD1-N 3.41Å; N43-A46 VanDerWaalsContact OD1-N 3.12Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A46-A48 PolarHBondContact O-N 2.64Å; A46-E49 WeakPolarHBondContact O-CB 3.48Å; A46-E49 PolarHBondContact O-N 2.9Å; A46-L50 WeakPolarHBondContact O-CB 3.37Å; A46-L50 VanDerWaalsContact O-CG 3.26Å; A46-L50 WeakPolarHBondContact O-CG 3.29Å; A46-L50 PolarHBondContact O-N 3.31Å
47I97.6Very high97.2Very high12 Ų1264 Ų646%0.06235%0.35CS..Hα-helixtrans-63.3-41.2177-66.5162.7000110.9L16 E42 N43 P44 L50 K51 F61L16-I47 HydrophobicContact CD1-CD1 4.12Å; L16-I47 HydrophobicContact CD1-CG1 4.01Å; L16-I47 HydrophobicContact CD2-CG1 4.11Å; E42-I47 HydrophobicContact CG-CD1 3.86Å; N43-I47 WeakPolarHBondContact O-CG1 3.34Å; N43-I47 PolarHBondContact O-N 2.97Å; P44-I47 PolarHBondContact O-N 2.88Å; I47-L50 PolarHBondContact O-N 2.94Å; I47-K51 HydrophobicContact CG2-CD 4.29Å; I47-K51 WeakPolarHBondContact O-CG 3.47Å; I47-K51 PolarHBondContact O-N 3.35Å; I47-F61 HydrophobicContact CD1-CB 3.73Å; I47-F61 HydrophobicContact CD1-CD1 4.38Å; I47-F61 HydrophobicContact CD1-CD2 3.89Å; I47-F61 HydrophobicContact CD1-CG 3.73Å
48A97.6Very high97.2Very high58 Ų5867.3 Ų67.348%0.47937%0.37SS..Hα-helixtrans-64.8-42.9175.900000111.8P44 A45 A46 K51 A52P44-A48 VanDerWaalsContact O-CB 3.29Å; P44-A48 WeakPolarHBondContact O-CB 3.33Å; P44-A48 PolarHBondContact O-N 3.25Å; A45-A48 PolarHBondContact O-N 2.75Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A46-A48 PolarHBondContact O-N 2.64Å; A48-K51 PolarHBondContact O-N 2.99Å; A48-A52 PolarHBondContact O-N 2.95Å
49E97.6Very high97.1Very high87 Ų8767.7 Ų67.741%0.40737%0.372SS..Hα-helixtrans-57.5-49.2173.6-173.9-173.5-176.400111.1K25 A45 A46 K51 A52 I53K25-E49 WeakPolarHBondContact CE-OE1 3.5Å; K25-E49 VanDerWaalsContact CE-OE2 3.24Å; K25-E49 WeakPolarHBondContact CE-OE2 3.47Å; K25-E49 IonicContact NZ-OE1 3.97Å; K25-E49 PolarHBondContact NZ-OE1 3.44Å; K25-E49 IonicContact NZ-OE2 3.95Å; K25-E49 PolarHBondContact NZ-OE2 3.47Å; A45-E49 PolarHBondContact O-N 3.21Å; A46-E49 WeakPolarHBondContact O-CB 3.48Å; A46-E49 PolarHBondContact O-N 2.9Å; E49-K51 PolarHBondContact O-N 3.43Å; E49-A52 WeakPolarHBondContact O-CB 3.18Å; E49-A52 PolarHBondContact O-N 3.35Å; E49-A52 VanDerWaalsContact O-N 3.1Å; E49-I53 WeakPolarHBondContact O-CG1 3.49Å; E49-I53 PolarHBondContact O-N 3.03Å
50L98.2Very high97.2Very high0 Ų068 Ų680%038%0.376CS..Hα-helixtrans-58.5-47.3178.1-71.2176.7000111.5L16 L21 K25 L28 I37 A46 I47 A52 I53L16-L50 HydrophobicContact CD2-CD1 3.81Å; L21-L50 HydrophobicContact CD1-CD1 4.36Å; L21-L50 HydrophobicContact CD1-CD2 4.29Å; L21-L50 HydrophobicContact CD1-CG 4.35Å; K25-L50 HydrophobicContact CB-CD2 4.46Å; K25-L50 HydrophobicContact CG-CD2 3.73Å; L28-L50 HydrophobicContact CD1-CB 3.65Å; L28-L50 HydrophobicContact CD1-CD2 3.62Å; L28-L50 HydrophobicContact CD1-CG 4.18Å; L28-L50 VanDerWaalsContact CD1-O 3.25Å; L28-L50 WeakPolarHBondContact CD1-O 3.44Å; I37-L50 HydrophobicContact CD1-CD1 3.46Å; I37-L50 VanDerWaalsContact CD1-CD1 3.46Å; A46-L50 WeakPolarHBondContact O-CB 3.37Å; A46-L50 VanDerWaalsContact O-CG 3.26Å; A46-L50 WeakPolarHBondContact O-CG 3.29Å; A46-L50 PolarHBondContact O-N 3.31Å; I47-L50 PolarHBondContact O-N 2.94Å; L50-A52 PolarHBondContact O-N 3.02Å; L50-I53 HydrophobicContact CD2-CD1 4.32Å; L50-I53 PolarHBondContact O-N 3.29Å; L50-I53 VanDerWaalsContact O-N 3.16Å
51K98.1Very high97.3Very high107 Ų10763.2 Ų63.247%0.46536%0.359SS..Hα-helixtrans-59.1-32.7176.4-74.3175.3179-179.90113I47 A48 E49 V59I47-K51 HydrophobicContact CG2-CD 4.29Å; I47-K51 WeakPolarHBondContact O-CG 3.47Å; I47-K51 PolarHBondContact O-N 3.35Å; A48-K51 PolarHBondContact O-N 2.99Å; E49-K51 PolarHBondContact O-N 3.43Å; K51-V59 WeakPolarHBondContact CE-O 3.35Å; K51-V59 HydrophobicContact CG-CB 3.86Å; K51-V59 HydrophobicContact CG-CG2 4.25Å
52A98.1Very high97.5Very high74 Ų7460 Ų6061%0.61234%0.34SS*.Hα-helixtrans-74.1-27.3179.600000113.4A48 E49 L50A48-A52 PolarHBondContact O-N 2.95Å; E49-A52 WeakPolarHBondContact O-CB 3.18Å; E49-A52 PolarHBondContact O-N 3.35Å; E49-A52 VanDerWaalsContact O-N 3.1Å; L50-A52 PolarHBondContact O-N 3.02Å
53I98.1Very high97.7Very high68 Ų6859 Ų5935%0.34934%0.344SS..Hα-helixtrans-63.1-44.4-179.4-69.6169.5000111.5K25 L28 E49 L50K25-I53 HydrophobicContact CB-CD1 3.72Å; K25-I53 HydrophobicContact CD-CD1 4.26Å; K25-I53 HydrophobicContact CG-CD1 3.56Å; L28-I53 HydrophobicContact CB-CB 4.37Å; L28-I53 HydrophobicContact CB-CG2 3.85Å; E49-I53 WeakPolarHBondContact O-CG1 3.49Å; E49-I53 PolarHBondContact O-N 3.03Å; L50-I53 HydrophobicContact CD2-CD1 4.32Å; L50-I53 PolarHBondContact O-N 3.29Å; L50-I53 VanDerWaalsContact O-N 3.16Å
54N97.6Very high97.8Very high20 Ų2056.5 Ų56.511%0.10733%0.329CS..  trans-145.392.2176.4-168.2-13.7000110.7L28 D31 K56 V57L28-N54 HydrophobicContact CB-CB 4.49Å; L28-N54 VanDerWaalsContact O-CB 3.29Å; L28-N54 WeakPolarHBondContact O-CB 3.32Å; L28-N54 PolarHBondContact O-ND2 3.47Å; L28-N54 VanDerWaalsContact O-ND2 3.08Å; D31-N54 PolarHBondContact OD1-ND2 3.48Å; D31-N54 VanDerWaalsContact OD1-ND2 3.07Å; N54-K56 PolarHBondContact O-N 3.25Å; N54-K56 WeakPolarHBondContact OD1-CB 3.44Å; N54-K56 PolarHBondContact OD1-N 3.41Å; N54-V57 HydrophobicContact CB-CG2 3.93Å; N54-V57 PolarHBondContact O-N 2.82Å
55P97.3Very high98Very high110 Ų11054.7 Ų54.771%0.71432%0.315SS*.THydrogen-bonded Turntrans-62.2-11.3-178.4-25.235.2000115
56K97.4Very high98.1Very high174 Ų17451.7 Ų51.776%0.75729%0.289SS*.THydrogen-bonded Turntrans-78.9-23.8175.2-58.4177.1-176.8171.80112.4N54N54-K56 PolarHBondContact O-N 3.25Å; N54-K56 WeakPolarHBondContact OD1-CB 3.44Å; N54-K56 PolarHBondContact OD1-N 3.41Å
57V98.3Very high98.2Very high8 Ų854.4 Ų54.45%0.04831%0.306CS..SBendtrans-83.9131.1178.5-175.90000109.1L28 L32 L35 N54 V59L28-V57 HydrophobicContact CD2-CB 3.74Å; L28-V57 HydrophobicContact CD2-CG1 3.54Å; L28-V57 HydrophobicContact CD2-CG2 3.96Å; L32-V57 HydrophobicContact CB-CG1 3.78Å; L32-V57 HydrophobicContact CB-CG2 4.2Å; L32-V57 WeakPolarHBondContact O-CG2 3.48Å; L35-V57 HydrophobicContact CB-CG1 4.34Å; N54-V57 HydrophobicContact CB-CG2 3.93Å; N54-V57 PolarHBondContact O-N 2.82Å; V57-V59 HydrophobicContact CG1-CG2 4.43Å; V57-V59 PolarHBondContact O-N 3.19Å
58T98.4Very high98.2Very high71 Ų7155.9 Ų55.944%0.43632%0.315SS..EExtended strand (participates in β ladder)trans-79.2112.5171.6-59.90000109.6K33 N34 L35 T60K33-T58 PolarHBondContact O-N 2.96Å; N34-T58 CarbonylContact C-O 3.59Å; N34-T58 WeakPolarHBondContact CA-O 3.32Å; N34-T58 WeakPolarHBondContact OD1-CB 3.36Å; L35-T58 PolarHBondContact N-O 3.05Å; T58-T60 HydrophobicContact CG2-CG2 4.09Å
59V98.6Very high98.3Very high9 Ų957.4 Ų57.46%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-102.1116.8174.4-174.30000109.7L28 L35 I37 K51 V57L28-V59 HydrophobicContact CD1-CG2 4.3Å; L28-V59 HydrophobicContact CD2-CG2 3.92Å; L35-V59 HydrophobicContact CB-CG2 4.48Å; L35-V59 WeakPolarHBondContact O-CA 3.13Å; I37-V59 HydrophobicContact CD1-CG1 4.01Å; K51-V59 WeakPolarHBondContact CE-O 3.35Å; K51-V59 HydrophobicContact CG-CB 3.86Å; K51-V59 HydrophobicContact CG-CG2 4.25Å; V57-V59 HydrophobicContact CG1-CG2 4.43Å; V57-V59 PolarHBondContact O-N 3.19Å
60T98.5Very high98.3Very high38 Ų3856.2 Ų56.223%0.23332%0.316CS..EExtended strand (participates in β ladder)trans-117.8149.9176.951.80000111.1L35 I37 T58L35-T60 PolarHBondContact O-N 3.49Å; I37-T60 PolarHBondContact N-O 3.27Å; T58-T60 HydrophobicContact CG2-CG2 4.09Å
61F98.7Very high98.4Very high37 Ų3759.6 Ų59.616%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-121.8139.3177.8173.9-97000109.7L16 I37 D39 E42 I47 P63L16-F61 HydrophobicContact CD1-CD2 4.01Å; L16-F61 HydrophobicContact CD1-CE2 3.93Å; I37-F61 HydrophobicContact CB-CD2 4.36Å; I37-F61 HydrophobicContact CG2-CD2 4.02Å; I37-F61 WeakPolarHBondContact O-CA 3.38Å; D39-F61 HydrophobicContact CB-CE2 3.75Å; D39-F61 HydrophobicContact CB-CZ 4.48Å; E42-F61 HydrophobicContact CB-CD1 4.3Å; E42-F61 HydrophobicContact CB-CE1 3.6Å; E42-F61 HydrophobicContact CB-CZ 3.8Å; E42-F61 HydrophobicContact CG-CD1 3.89Å; E42-F61 HydrophobicContact CG-CE1 3.72Å; E42-F61 HydrophobicContact CG-CG 4.49Å; E42-F61 HydrophobicContact CG-CZ 4.18Å; I47-F61 HydrophobicContact CD1-CB 3.73Å; I47-F61 HydrophobicContact CD1-CD1 4.38Å; I47-F61 HydrophobicContact CD1-CD2 3.89Å; I47-F61 HydrophobicContact CD1-CG 3.73Å; F61-P63 HydrophobicContact CE1-CB 4.39Å
62Y98.5Very high98.4Very high42 Ų4259.2 Ų59.217%0.16534%0.344CS..EExtended strand (participates in β ladder)trans-131.6136.3165.6-61.4-93.1000109.9V36 I37 L38 D39 Y64 L76 I80 Q83V36-Y62 HydrophobicContact CG1-CD2 3.73Å; V36-Y62 HydrophobicContact CG1-CE2 3.81Å; I37-Y62 PolarHBondContact O-N 3.34Å; L38-Y62 WeakPolarHBondContact CA-O 3.24Å; L38-Y62 HydrophobicContact CD2-CD2 3.94Å; L38-Y62 HydrophobicContact CD2-CG 4.23Å; D39-Y62 PolarHBondContact N-O 3.11Å; Y62-Y64 PolarHBondContact O-N 2.88Å; Y62-L76 HydrophobicContact CD1-CD1 3.88Å; Y62-L76 HydrophobicContact CG-CD1 3.99Å; Y62-I80 HydrophobicContact CD2-CD1 4.27Å; Y62-I80 HydrophobicContact CD2-CG1 4.25Å; Y62-I80 HydrophobicContact CE2-CD1 4.42Å; Y62-I80 HydrophobicContact CE2-CG1 3.93Å; Y62-Q83 PolarHBondContact OH-OE1 3.09Å
63P98.3Very high98.4Very high97 Ų9755.8 Ų55.863%0.6332%0.315SS*.EExtended strand (participates in β ladder)trans-63.9128.9170.327.7-33.2000109.4D39 F61D39-P63 CarbonylContact O-C 3.54Å; D39-P63 VanDerWaalsContact O-CA 3.31Å; D39-P63 WeakPolarHBondContact O-CA 3.48Å; F61-P63 HydrophobicContact CE1-CB 4.39Å
64Y98.8Very high98.4Very high13 Ų1353.8 Ų53.85%0.05131%0.306CS..  trans-148.4119.6-178.5-179.4-128.9000111.5V13 L38 D39 R40 Y62 V66 V68 T73 L76 T116V13-Y64 HydrophobicContact CG1-CD1 4.04Å; V13-Y64 HydrophobicContact CG1-CE1 4.02Å; V13-Y64 HydrophobicContact CG2-CD1 4.43Å; V13-Y64 HydrophobicContact CG2-CE1 4.2Å; L38-Y64 HydrophobicContact CB-CD1 3.69Å; L38-Y64 HydrophobicContact CB-CG 4.06Å; L38-Y64 HydrophobicContact CD1-CD1 4.1Å; L38-Y64 HydrophobicContact CD1-CG 4.49Å; D39-Y64 CarbonylContact C-O 3.14Å; D39-Y64 PolarHBondContact O-N 3.35Å; R40-Y64 VanDerWaalsContact CA-O 3.31Å; R40-Y64 WeakPolarHBondContact CA-O 3.44Å; R40-Y64 PolarHBondContact N-O 2.71Å; Y62-Y64 PolarHBondContact O-N 2.88Å; Y64-V66 HydrophobicContact CD1-CG1 4.1Å; Y64-V66 HydrophobicContact CE1-CB 4.45Å; Y64-V66 HydrophobicContact CE1-CG1 3.53Å; Y64-V68 HydrophobicContact CE2-CG2 4.02Å; Y64-T73 HydrophobicContact CE2-CG2 3.96Å; Y64-T73 WeakPolarHBondContact CE2-OG1 3.39Å; Y64-T73 WeakPolarHBondContact OH-CG2 3.41Å; Y64-T73 PolarHBondContact OH-OG1 3.36Å; Y64-L76 HydrophobicContact CD2-CD2 3.73Å; Y64-L76 HydrophobicContact CG-CD2 4.03Å; Y64-T116 HydrophobicContact CE1-CG2 4.31Å; Y64-T116 PolarHBondContact OH-OG1 3.05Å
65D98.6Very high98.5Very high47 Ų4759.1 Ų59.125%0.25133%0.329SS..  trans-100.3119.2167.2-167.8-23.2000108.8R40 T67 V68R40-D65 HydrophobicContact CG-CB 4.39Å; D65-T67 PolarHBondContact O-N 2.88Å; D65-T67 VanDerWaalsContact O-N 3.15Å; D65-T67 PolarHBondContact OD1-N 2.51Å; D65-T67 PolarHBondContact OD1-OG1 3.38Å; D65-T67 VanDerWaalsContact OD1-OG1 3.12Å; D65-V68 HydrophobicContact CB-CG1 4.19Å; D65-V68 WeakPolarHBondContact O-CG1 3.26Å; D65-V68 WeakPolarHBondContact O-CG2 3.39Å; D65-V68 PolarHBondContact O-N 3.03Å
66V98.8Very high98.6Very high9 Ų955.4 Ų55.46%0.05530%0.303CS..THydrogen-bonded Turntrans-64.7-14.9179.9-67.10000113.3V13 Y64 V68 A94 V108 G112V13-V66 HydrophobicContact CG1-CG1 3.68Å; Y64-V66 HydrophobicContact CD1-CG1 4.1Å; Y64-V66 HydrophobicContact CE1-CB 4.45Å; Y64-V66 HydrophobicContact CE1-CG1 3.53Å; V66-V68 VanDerWaalsContact C-N 3.28Å; V66-V68 PolarHBondContact O-N 3.45Å; V66-A94 HydrophobicContact CB-CB 4.47Å; V66-A94 HydrophobicContact CG1-CB 3.72Å; V66-A94 HydrophobicContact CG2-CB 3.94Å; V66-V108 HydrophobicContact CG2-CB 4.34Å; V66-V108 HydrophobicContact CG2-CG1 3.96Å; V66-V108 HydrophobicContact CG2-CG2 4.43Å; V66-G112 VanDerWaalsContact O-CA 3.27Å; V66-G112 WeakPolarHBondContact O-CA 2.91Å
67T98.7Very high98.6Very high62 Ų6247.2 Ų47.238%0.3827%0.267SS..THydrogen-bonded Turntrans-83.1-1.4178.573.90000113.5D65 A107 V108D65-T67 PolarHBondContact O-N 2.88Å; D65-T67 VanDerWaalsContact O-N 3.15Å; D65-T67 PolarHBondContact OD1-N 2.51Å; D65-T67 PolarHBondContact OD1-OG1 3.38Å; D65-T67 VanDerWaalsContact OD1-OG1 3.12Å; T67-A107 HydrophobicContact CG2-CB 4.11Å; T67-V108 HydrophobicContact CG2-CG2 3.71Å
68V98.8Very high98.7Very high43 Ų4353.7 Ų53.726%0.26129%0.294SS..SBendtrans-68.8156.5174.7-58.80000111.4Y64 D65 V66 E72Y64-V68 HydrophobicContact CE2-CG2 4.02Å; D65-V68 HydrophobicContact CB-CG1 4.19Å; D65-V68 WeakPolarHBondContact O-CG1 3.26Å; D65-V68 WeakPolarHBondContact O-CG2 3.39Å; D65-V68 PolarHBondContact O-N 3.03Å; V66-V68 VanDerWaalsContact C-N 3.28Å; V66-V68 PolarHBondContact O-N 3.45Å; V68-E72 HydrophobicContact CB-CB 4.18Å; V68-E72 HydrophobicContact CG2-CB 3.98Å
69P98.6Very high98.7Very high90 Ų9053.4 Ų53.458%0.58429%0.292SS*.  trans-57.3152.4174.6-25.235.3000113A71 E72 T73P69-A71 PolarHBondContact O-N 2.9Å; P69-A71 VanDerWaalsContact O-N 3.13Å; P69-E72 PolarHBondContact O-N 3.49Å; P69-T73 PolarHBondContact O-N 3.16Å
70I98.8Very high98.7Very high61 Ų6153 Ų5331%0.31329%0.29SS..Hα-helixtrans-51-41.8178.7-64.9172.2000111.2E72 T73 T74 N115 T118 A119I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 3.1Å; I70-T73 CarbonylContact O-C 3.6Å; I70-T73 WeakPolarHBondContact O-CB 3.39Å; I70-T73 PolarHBondContact O-N 3.44Å; I70-T73 VanDerWaalsContact O-N 3.12Å; I70-T74 PolarHBondContact O-N 2.81Å; I70-T74 PolarHBondContact O-OG1 2.88Å; I70-T74 VanDerWaalsContact O-OG1 3.11Å; I70-N115 HydrophobicContact CG1-CB 3.76Å; I70-T118 HydrophobicContact CD1-CG2 4.04Å; I70-T118 HydrophobicContact CG2-CG2 4.49Å; I70-A119 HydrophobicContact CG2-CB 4.11Å
71A98.6Very high98.7Very high72 Ų7252.2 Ų52.260%0.59528%0.284SS*.Hα-helixtrans-58.7-39.5-179.800000113.6P69 T74 K75P69-A71 PolarHBondContact O-N 2.9Å; P69-A71 VanDerWaalsContact O-N 3.13Å; A71-T74 PolarHBondContact O-N 2.95Å; A71-K75 WeakPolarHBondContact O-CB 3.25Å; A71-K75 PolarHBondContact O-N 2.8Å
72E98.6Very high98.7Very high98 Ų9853.3 Ų53.346%0.45830%0.299SS..Hα-helixtrans-71.7-37.7176.7-69.1-58.6150.900111.2V68 P69 I70 K75 L76V68-E72 HydrophobicContact CB-CB 4.18Å; V68-E72 HydrophobicContact CG2-CB 3.98Å; P69-E72 PolarHBondContact O-N 3.49Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 3.1Å; E72-K75 WeakPolarHBondContact O-CB 3.04Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-K75 IonicContact OE2-NZ 3.92Å; E72-L76 PolarHBondContact O-N 3.44Å
73T98.8Very high98.7Very high2 Ų256.8 Ų56.81%0.01232%0.317CS..Hα-helixtrans-61.5-46.6171.7-59.10000111Y64 P69 I70 K75 L76 L77 T116 A119Y64-T73 HydrophobicContact CE2-CG2 3.96Å; Y64-T73 WeakPolarHBondContact CE2-OG1 3.39Å; Y64-T73 WeakPolarHBondContact OH-CG2 3.41Å; Y64-T73 PolarHBondContact OH-OG1 3.36Å; P69-T73 PolarHBondContact O-N 3.16Å; I70-T73 CarbonylContact O-C 3.6Å; I70-T73 WeakPolarHBondContact O-CB 3.39Å; I70-T73 PolarHBondContact O-N 3.44Å; I70-T73 VanDerWaalsContact O-N 3.12Å; T73-K75 VanDerWaalsContact C-N 3.29Å; T73-K75 PolarHBondContact O-N 3.29Å; T73-L76 PolarHBondContact O-N 2.89Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.37Å; T73-L77 WeakPolarHBondContact O-CG 3.45Å; T73-L77 PolarHBondContact O-N 2.85Å; T73-T116 HydrophobicContact CG2-CG2 4.28Å; T73-A119 HydrophobicContact CG2-CB 3.56Å
74T98.8Very high98.7Very high27 Ų2753.3 Ų53.317%0.16629%0.293CS..Hα-helixtrans-60.3-38177.1-59.80000111.6I70 A71 L77 K78 A119 D122 F123I70-T74 PolarHBondContact O-N 2.81Å; I70-T74 PolarHBondContact O-OG1 2.88Å; I70-T74 VanDerWaalsContact O-OG1 3.11Å; A71-T74 PolarHBondContact O-N 2.95Å; T74-L77 PolarHBondContact O-N 3.05Å; T74-K78 WeakPolarHBondContact O-CB 3.37Å; T74-K78 PolarHBondContact O-N 3.35Å; T74-A119 WeakPolarHBondContact OG1-CB 3.19Å; T74-D122 HydrophobicContact CG2-CB 4.43Å; T74-F123 HydrophobicContact CG2-CE2 4.03Å; T74-F123 HydrophobicContact CG2-CZ 4.1Å
75K98.8Very high98.6Very high132 Ų13260.2 Ų60.257%0.57432%0.323SS*.Hα-helixtrans-64.2-43.4175.9-178.6-176.6173-171.50112.4A71 E72 T73 K78 T79A71-K75 WeakPolarHBondContact O-CB 3.25Å; A71-K75 PolarHBondContact O-N 2.8Å; E72-K75 WeakPolarHBondContact O-CB 3.04Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-K75 IonicContact OE2-NZ 3.92Å; T73-K75 VanDerWaalsContact C-N 3.29Å; T73-K75 PolarHBondContact O-N 3.29Å; K75-K78 WeakPolarHBondContact O-CB 3.37Å; K75-K78 PolarHBondContact O-N 2.96Å; K75-T79 PolarHBondContact O-N 3.46Å; K75-T79 PolarHBondContact O-OG1 3.12Å
76L98.8Very high98.6Very high32 Ų3261.4 Ų61.417%0.16833%0.332CS..Hα-helixtrans-63.1-48.6174.217658.3000111.1L38 Y62 Y64 E72 T73 K78 T79 I80L38-L76 HydrophobicContact CD1-CD2 4.45Å; L38-L76 HydrophobicContact CD2-CD2 4.23Å; Y62-L76 HydrophobicContact CD1-CD1 3.88Å; Y62-L76 HydrophobicContact CG-CD1 3.99Å; Y64-L76 HydrophobicContact CD2-CD2 3.73Å; Y64-L76 HydrophobicContact CG-CD2 4.03Å; E72-L76 PolarHBondContact O-N 3.44Å; T73-L76 PolarHBondContact O-N 2.89Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.48Å; L76-T79 VanDerWaalsContact O-CB 3.31Å; L76-T79 WeakPolarHBondContact O-CB 3.42Å; L76-T79 PolarHBondContact O-N 3.19Å; L76-I80 HydrophobicContact CD1-CD1 4.29Å; L76-I80 HydrophobicContact CG-CD1 4.13Å; L76-I80 PolarHBondContact O-N 3.35Å; L76-I80 VanDerWaalsContact O-N 3.14Å
77L98.9Very high98.6Very high1 Ų161.2 Ų61.21%0.00533%0.331CS..Hα-helixtrans-58.7-40.2177-68.9177.4000111.5I11 T73 T74 T79 I80 F81 A119 I120 F123I11-L77 HydrophobicContact CD1-CD2 3.82Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.37Å; T73-L77 WeakPolarHBondContact O-CG 3.45Å; T73-L77 PolarHBondContact O-N 2.85Å; T74-L77 PolarHBondContact O-N 3.05Å; L77-T79 VanDerWaalsContact C-N 3.26Å; L77-T79 PolarHBondContact O-N 2.87Å; L77-I80 HydrophobicContact CD2-CD1 4.39Å; L77-I80 PolarHBondContact O-N 2.85Å; L77-F81 HydrophobicContact CB-CD2 4.43Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.3Å; L77-A119 HydrophobicContact CD1-CB 3.87Å; L77-I120 HydrophobicContact CD1-CB 3.86Å; L77-I120 HydrophobicContact CD1-CG1 4.19Å; L77-F123 HydrophobicContact CB-CD2 4.3Å; L77-F123 HydrophobicContact CB-CE2 3.62Å; L77-F123 HydrophobicContact CB-CZ 4.09Å; L77-F123 HydrophobicContact CD1-CE2 4.37Å
78K98.8Very high98.6Very high144 Ų14460.5 Ų60.563%0.62633%0.325SS*.Hα-helixtrans-56.4-41174.9-172.6176.8179.2177.80112.1T74 K75 L76 A82 F123T74-K78 WeakPolarHBondContact O-CB 3.37Å; T74-K78 PolarHBondContact O-N 3.35Å; K75-K78 WeakPolarHBondContact O-CB 3.37Å; K75-K78 PolarHBondContact O-N 2.96Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.48Å; K78-A82 VanDerWaalsContact O-CB 3.24Å; K78-A82 WeakPolarHBondContact O-CB 3.46Å; K78-A82 PolarHBondContact O-N 2.9Å; K78-F123 HydrophobicContact CB-CE1 4.14Å; K78-F123 HydrophobicContact CB-CZ 3.89Å; K78-F123 HydrophobicContact CG-CE1 4.46Å
79T98.7Very high98.6Very high65 Ų6558.5 Ų58.540%0.39931%0.313SS..Hα-helixtrans-62.3-45.5175.2-56.80000111.2K75 L76 L77 A82 Q83K75-T79 PolarHBondContact O-N 3.46Å; K75-T79 PolarHBondContact O-OG1 3.12Å; L76-T79 VanDerWaalsContact O-CB 3.31Å; L76-T79 WeakPolarHBondContact O-CB 3.42Å; L76-T79 PolarHBondContact O-N 3.19Å; L77-T79 VanDerWaalsContact C-N 3.26Å; L77-T79 PolarHBondContact O-N 2.87Å; T79-A82 PolarHBondContact O-N 3.08Å; T79-Q83 WeakPolarHBondContact O-CG 3.34Å; T79-Q83 PolarHBondContact O-N 2.95Å
80I98.8Very high98.6Very high1 Ų154.2 Ų54.21%0.00529%0.285CS..Hα-helixtrans-65.5-48.6-180-63.8162000111I11 V36 L38 Y62 L76 L77 A82 Q83 L84 V87I11-I80 HydrophobicContact CD1-CD1 4.4Å; I11-I80 HydrophobicContact CD1-CG2 4Å; I11-I80 HydrophobicContact CG1-CG2 4.44Å; V36-I80 HydrophobicContact CG1-CD1 4.08Å; V36-I80 HydrophobicContact CG1-CG1 4.4Å; V36-I80 HydrophobicContact CG1-CG2 4.46Å; V36-I80 HydrophobicContact CG2-CG2 4.26Å; L38-I80 HydrophobicContact CD1-CD1 4.35Å; L38-I80 HydrophobicContact CD2-CD1 3.81Å; Y62-I80 HydrophobicContact CD2-CD1 4.27Å; Y62-I80 HydrophobicContact CD2-CG1 4.25Å; Y62-I80 HydrophobicContact CE2-CD1 4.42Å; Y62-I80 HydrophobicContact CE2-CG1 3.93Å; L76-I80 HydrophobicContact CD1-CD1 4.29Å; L76-I80 HydrophobicContact CG-CD1 4.13Å; L76-I80 PolarHBondContact O-N 3.35Å; L76-I80 VanDerWaalsContact O-N 3.14Å; L77-I80 HydrophobicContact CD2-CD1 4.39Å; L77-I80 PolarHBondContact O-N 2.85Å; I80-A82 VanDerWaalsContact C-N 3.3Å; I80-A82 PolarHBondContact O-N 3.23Å; I80-Q83 PolarHBondContact O-N 2.93Å; I80-Q83 VanDerWaalsContact O-N 3.1Å; I80-L84 HydrophobicContact CG2-CD1 3.86Å; I80-L84 HydrophobicContact CG2-CG 4.22Å; I80-L84 PolarHBondContact O-N 2.81Å; I80-V87 HydrophobicContact CG2-CG2 4.47Å
81F98.7Very high98.6Very high22 Ų2251.3 Ų51.310%0.09627%0.27CS..Hα-helixtrans-63.6-34177.4-85.9-94.5000112.3L77 Q83 K85 V87 I120 F123 W124L77-F81 HydrophobicContact CB-CD2 4.43Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.3Å; F81-Q83 PolarHBondContact O-N 2.77Å; F81-K85 WeakPolarHBondContact O-CA 3.26Å; F81-K85 PolarHBondContact O-N 3.08Å; F81-V87 HydrophobicContact CD1-CG2 4.28Å; F81-V87 HydrophobicContact CD2-CG2 4.17Å; F81-V87 HydrophobicContact CE1-CB 4.05Å; F81-V87 HydrophobicContact CE1-CG2 3.93Å; F81-V87 HydrophobicContact CE2-CB 4.26Å; F81-V87 HydrophobicContact CE2-CG2 3.81Å; F81-V87 HydrophobicContact CG-CG2 4.4Å; F81-V87 HydrophobicContact CZ-CB 3.73Å; F81-V87 HydrophobicContact CZ-CG2 3.69Å; F81-I120 HydrophobicContact CE2-CD1 4.28Å; F81-I120 HydrophobicContact CE2-CG1 4.04Å; F81-I120 HydrophobicContact CZ-CD1 4.37Å; F81-I120 HydrophobicContact CZ-CG1 4.14Å; F81-F123 HydrophobicContact CB-CD1 4.13Å; F81-F123 HydrophobicContact CB-CE1 4.34Å; F81-F123 HydrophobicContact CD1-CB 4.09Å; F81-F123 HydrophobicContact CD1-CD1 4.26Å; F81-F123 HydrophobicContact CD1-CG 4.34Å; F81-F123 HydrophobicContact CD2-CB 4.26Å; F81-F123 AromaticContact CD2-CD1 3.99Å; F81-F123 HydrophobicContact CD2-CD1 3.99Å; F81-F123 HydrophobicContact CD2-CD2 4.22Å; F81-F123 HydrophobicContact CD2-CE1 4.42Å; F81-F123 AromaticContact CD2-CG 3.88Å; F81-F123 HydrophobicContact CD2-CG 3.88Å; F81-F123 HydrophobicContact CE1-CB 3.72Å; F81-F123 HydrophobicContact CE1-CG 4.35Å; F81-F123 HydrophobicContact CE2-CB 3.93Å; F81-F123 HydrophobicContact CE2-CD1 4.46Å; F81-F123 HydrophobicContact CE2-CD2 4.09Å; F81-F123 AromaticContact CE2-CG 3.9Å; F81-F123 HydrophobicContact CE2-CG 3.9Å; F81-F123 HydrophobicContact CG-CB 4.34Å; F81-F123 AromaticContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CE1 4.44Å; F81-F123 HydrophobicContact CG-CG 4.11Å; F81-F123 HydrophobicContact CZ-CB 3.63Å; F81-F123 HydrophobicContact CZ-CG 4.13Å; F81-W124 AromaticContact CE1-NE1 3.86Å; F81-W124 AromaticContact CZ-CD1 3.96Å; F81-W124 AromaticContact CZ-NE1 3.62Å
82A98.4Very high98.6Very high59 Ų5948.1 Ų48.149%0.48824%0.243SC..Hα-helixtrans-62.2-33.6174.500000112.3K78 T79 I80 K85K78-A82 VanDerWaalsContact O-CB 3.24Å; K78-A82 WeakPolarHBondContact O-CB 3.46Å; K78-A82 PolarHBondContact O-N 2.9Å; T79-A82 PolarHBondContact O-N 3.08Å; I80-A82 VanDerWaalsContact C-N 3.3Å; I80-A82 PolarHBondContact O-N 3.23Å; A82-K85 WeakPolarHBondContact O-CE 3.34Å; A82-K85 PolarHBondContact O-NZ 3.47Å
83Q98.1Very high98.6Very high115 Ų11544.2 Ų44.254%0.53723%0.23SC..Hα-helixtrans-82.5-49.2177.8-65.5-179.44.600112.3Y62 T79 I80 F81Y62-Q83 PolarHBondContact OH-OE1 3.09Å; T79-Q83 WeakPolarHBondContact O-CG 3.34Å; T79-Q83 PolarHBondContact O-N 2.95Å; I80-Q83 PolarHBondContact O-N 2.93Å; I80-Q83 VanDerWaalsContact O-N 3.1Å; F81-Q83 PolarHBondContact O-N 2.77Å
84L98.3Very high98.6Very high24 Ų2445 Ų4513%0.12624%0.236CC..Hα-helixtrans-85.6-21.4-171.9-60.5-168.9000114.4N9 N34 V36 I80 T86 V87N9-L84 HydrophobicContact CB-CD1 4.25Å; N34-L84 HydrophobicContact CB-CD1 4.18Å; N34-L84 HydrophobicContact CB-CD2 4.12Å; N34-L84 VanDerWaalsContact CG-CD2 3.5Å; N34-L84 WeakPolarHBondContact OD1-CD2 3.45Å; V36-L84 HydrophobicContact CG2-CD1 3.61Å; I80-L84 HydrophobicContact CG2-CD1 3.86Å; I80-L84 HydrophobicContact CG2-CG 4.22Å; I80-L84 PolarHBondContact O-N 2.81Å; L84-T86 WeakPolarHBondContact CB-O 3.4Å; L84-T86 PolarHBondContact O-N 2.77Å; L84-V87 HydrophobicContact CD1-CG2 4.4Å
85K97.6Very high98.5Very high158 Ų15845.2 Ų45.269%0.68724%0.244SC*.SBendtrans65.3-40.8-171.4-47.4-54.1-177.1-1720114.4F81 A82F81-K85 WeakPolarHBondContact O-CA 3.26Å; F81-K85 PolarHBondContact O-N 3.08Å; A82-K85 WeakPolarHBondContact O-CE 3.34Å; A82-K85 PolarHBondContact O-NZ 3.47Å
86T98.1Very high98.5Very high72 Ų7241 Ų4144%0.44223%0.227SC..  trans-127.8149.3175.358.30000110.6N9 L84N9-T86 WeakPolarHBondContact CB-O 3.2Å; N9-T86 PolarHBondContact ND2-O 3.29Å; N9-T86 PolarHBondContact ND2-OG1 3.06Å; L84-T86 WeakPolarHBondContact CB-O 3.4Å; L84-T86 PolarHBondContact O-N 2.77Å
87V98.8Very high98.4Very high6 Ų640.3 Ų40.34%0.03622%0.223CC..  trans-129.8133.2165.3-179.90000105.6I11 I80 F81 L84 W124I11-V87 HydrophobicContact CB-CG1 4.46Å; I11-V87 HydrophobicContact CD1-CG1 3.85Å; I11-V87 HydrophobicContact CD1-CG2 4Å; I11-V87 HydrophobicContact CG1-CG1 3.79Å; I11-V87 HydrophobicContact CG1-CG2 4.4Å; I80-V87 HydrophobicContact CG2-CG2 4.47Å; F81-V87 HydrophobicContact CD1-CG2 4.28Å; F81-V87 HydrophobicContact CD2-CG2 4.17Å; F81-V87 HydrophobicContact CE1-CB 4.05Å; F81-V87 HydrophobicContact CE1-CG2 3.93Å; F81-V87 HydrophobicContact CE2-CB 4.26Å; F81-V87 HydrophobicContact CE2-CG2 3.81Å; F81-V87 HydrophobicContact CG-CG2 4.4Å; F81-V87 HydrophobicContact CZ-CB 3.73Å; F81-V87 HydrophobicContact CZ-CG2 3.69Å; L84-V87 HydrophobicContact CD1-CG2 4.4Å; V87-W124 HydrophobicContact CB-CZ2 4.01Å; V87-W124 HydrophobicContact CG1-CZ2 3.83Å; V87-W124 VanDerWaalsContact O-CZ2 3.25Å; V87-W124 WeakPolarHBondContact O-CZ2 3.35Å; V87-W124 PolarHBondContact O-NE1 2.96Å
88D98.8Very high98.4Very high47 Ų4741.6 Ų41.625%0.25123%0.23SC..  trans-98.5-39.6-174.7-58.7-80.4000111.8K8 N9 I134K8-D88 WeakPolarHBondContact CA-OD2 3.29Å; K8-D88 HydrophobicContact CB-CB 4.18Å; K8-D88 HydrophobicContact CD-CB 3.7Å; K8-D88 HydrophobicContact CG-CB 4.41Å; N9-D88 PolarHBondContact N-OD2 3.03Å; N9-D88 PolarHBondContact O-N 2.88Å; D88-I134 PolarHBondContact O-N 3.24Å; D88-I134 VanDerWaalsContact O-N 3.17Å
89V98.9Very high98.4Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-134.6133.5-174.7-172.50000110.5F3 N9 V10 I11 I91 I134F3-V89 HydrophobicContact CE1-CG2 4.48Å; F3-V89 HydrophobicContact CZ-CG2 3.85Å; N9-V89 PolarHBondContact O-N 2.98Å; V10-V89 WeakPolarHBondContact CA-O 3.45Å; V10-V89 HydrophobicContact CG1-CB 4.3Å; V10-V89 HydrophobicContact CG2-CB 4.23Å; I11-V89 PolarHBondContact N-O 3.09Å; V89-I91 HydrophobicContact CG1-CG1 4.02Å; V89-I134 WeakPolarHBondContact CA-O 3.18Å; V89-I134 HydrophobicContact CG1-CG2 4.45Å; V89-I134 HydrophobicContact CG2-CB 4.3Å; V89-I134 HydrophobicContact CG2-CD1 4.32Å
90L98.9Very high98.4Very high0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans-110.5124.4166.1170.965.3000108.3I11 V13 T116 I120 W124 I134 I135 C136I11-L90 HydrophobicContact CB-CD1 4Å; I11-L90 HydrophobicContact CG2-CD1 3.68Å; I11-L90 CarbonylContact O-C 3.54Å; I11-L90 WeakPolarHBondContact O-CA 3.27Å; V13-L90 HydrophobicContact CG2-CD1 4.08Å; L90-T116 HydrophobicContact CD1-CG2 4.45Å; L90-T116 HydrophobicContact CD2-CG2 4.23Å; L90-I120 HydrophobicContact CB-CD1 3.92Å; L90-I120 HydrophobicContact CD2-CB 4.23Å; L90-I120 HydrophobicContact CD2-CD1 3.9Å; L90-I120 HydrophobicContact CD2-CG2 3.75Å; L90-I120 HydrophobicContact CG-CD1 4.33Å; L90-W124 HydrophobicContact CB-CH2 3.77Å; L90-W124 HydrophobicContact CB-CZ3 4.01Å; L90-I134 PolarHBondContact N-O 2.79Å; L90-I135 HydrophobicContact CB-CG1 4.48Å; L90-I135 WeakPolarHBondContact O-CA 3.36Å; L90-C136 PolarHBondContact O-N 3.48Å
91I98.9Very high98.4Very high1 Ų139.8 Ų39.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-107.5113.8171.6-49.7174.9000108.1V10 I11 F12 V13 L27 V89 C136 I138 F223 I227V10-I91 HydrophobicContact CG1-CD1 3.9Å; V10-I91 HydrophobicContact CG1-CG1 4.22Å; I11-I91 PolarHBondContact O-N 2.79Å; F12-I91 HydrophobicContact CB-CB 4.42Å; F12-I91 HydrophobicContact CD1-CB 3.57Å; F12-I91 HydrophobicContact CD1-CD1 4.44Å; F12-I91 HydrophobicContact CD1-CG2 3.55Å; F12-I91 HydrophobicContact CD2-CD1 4.14Å; F12-I91 HydrophobicContact CE1-CB 3.96Å; F12-I91 HydrophobicContact CE1-CG2 3.36Å; F12-I91 HydrophobicContact CE2-CD1 4.41Å; F12-I91 HydrophobicContact CG-CB 4.01Å; F12-I91 HydrophobicContact CG-CD1 4.14Å; F12-I91 HydrophobicContact CG-CG2 4.3Å; F12-I91 HydrophobicContact CZ-CG2 3.94Å; V13-I91 PolarHBondContact N-O 3.33Å; L27-I91 HydrophobicContact CD1-CD1 3.84Å; V89-I91 HydrophobicContact CG1-CG1 4.02Å; I91-C136 CarbonylContact C-O 3.59Å; I91-C136 VanDerWaalsContact CA-O 3.29Å; I91-C136 WeakPolarHBondContact CA-O 3.49Å; I91-C136 HydrophobicContact CG1-CB 4.29Å; I91-C136 HydrophobicContact CG2-CB 4.47Å; I91-I138 HydrophobicContact CG2-CD1 4.27Å; I91-I138 HydrophobicContact CG2-CG1 4.24Å; I91-F223 HydrophobicContact CG2-CE1 4.23Å; I91-F223 HydrophobicContact CG2-CZ 3.89Å; I91-I227 HydrophobicContact CD1-CD1 3.88Å
92N98.9Very high98.4Very high4 Ų441.7 Ų41.72%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-92.5103.7173.6-66.6-53.9000109.7L113 T117 C136 N137 I138N92-L113 HydrophobicContact CB-CD1 3.76Å; N92-L113 HydrophobicContact CB-CG 3.75Å; N92-T117 PolarHBondContact ND2-OG1 2.93Å; N92-C136 PolarHBondContact N-O 3.19Å; N92-N137 WeakPolarHBondContact CB-OD1 3.24Å; N92-N137 PolarHBondContact ND2-OD1 2.83Å; N92-I138 WeakPolarHBondContact O-CG1 3.37Å; N92-I138 PolarHBondContact O-N 2.68Å
93G98.1Very high98.4Very high17 Ų1745.9 Ų45.918%0.17524%0.239CC..  trans-115.9-4.1-175.700000116.5V13 G95V13-G93 CarbonylContact O-C 3.55Å; V13-G93 WeakPolarHBondContact O-CA 3.46Å; V13-G93 PolarHBondContact O-N 2.83Å; G93-G95 PolarHBondContact O-N 3.15Å
94A97.9Very high98.4Very high19 Ų1944.6 Ų44.616%0.15723%0.23CC..  trans-60.2133-179.200000111.4V13 A14 V66 V108V13-A94 HydrophobicContact CG1-CB 4.02Å; A14-A94 HydrophobicContact CB-CB 4.15Å; V66-A94 HydrophobicContact CB-CB 4.47Å; V66-A94 HydrophobicContact CG1-CB 3.72Å; V66-A94 HydrophobicContact CG2-CB 3.94Å; A94-V108 HydrophobicContact CB-CG1 4.3Å
95G97.1Very high98.4Very high31 Ų3143.5 Ų43.532%0.3222%0.224SC..  trans-166.9144.2177.800000112.8G93 N109G93-G95 PolarHBondContact O-N 3.15Å; G95-N109 WeakPolarHBondContact CA-OD1 3.33Å
96I97.9Very high98.5Very high42 Ų4239.3 Ų39.322%0.21521%0.208CC..  trans-125.1156.4168.664172.7000109.7R104 V108 N109 Y153I96-R104 HydrophobicContact CD1-CB 4.07Å; I96-R104 HydrophobicContact CD1-CG 3.73Å; I96-V108 HydrophobicContact CD1-CG2 4.39Å; I96-V108 HydrophobicContact CG1-CB 4.29Å; I96-V108 HydrophobicContact CG1-CG1 4.5Å; I96-V108 HydrophobicContact CG2-CG1 4.29Å; I96-N109 PolarHBondContact N-OD1 3.45Å; I96-N109 PolarHBondContact O-ND2 3.04Å; I96-N109 PolarHBondContact O-OD1 2.96Å; I96-Y153 VanDerWaalsContact O-CD2 3.22Å; I96-Y153 WeakPolarHBondContact O-CD2 3.42Å; I96-Y153 WeakPolarHBondContact O-CE2 3.36Å
97L98.2Very high98.5Very high19 Ų1937.3 Ų37.310%0.09920%0.199CC..  trans-131.792.5176.9-166.1165000107.3V150 Y153 L190 F194L97-V150 HydrophobicContact CD2-CG1 4.14Å; L97-Y153 HydrophobicContact CB-CD2 3.83Å; L97-Y153 HydrophobicContact CB-CE2 3.91Å; L97-Y153 HydrophobicContact CB-CG 4.45Å; L97-Y153 HydrophobicContact CD1-CD1 4.04Å; L97-Y153 HydrophobicContact CD1-CD2 4.14Å; L97-Y153 HydrophobicContact CD1-CE1 3.9Å; L97-Y153 HydrophobicContact CD1-CE2 3.99Å; L97-Y153 HydrophobicContact CD1-CG 4.16Å; L97-Y153 HydrophobicContact CG-CD1 4.18Å; L97-Y153 HydrophobicContact CG-CD2 3.68Å; L97-Y153 HydrophobicContact CG-CE1 4.44Å; L97-Y153 HydrophobicContact CG-CE2 3.96Å; L97-Y153 HydrophobicContact CG-CG 3.8Å; L97-L190 HydrophobicContact CB-CD1 3.76Å; L97-L190 HydrophobicContact CB-CD2 4.49Å; L97-L190 HydrophobicContact CB-CG 4.07Å; L97-F194 HydrophobicContact CD2-CB 3.42Å; L97-F194 VanDerWaalsContact CD2-CB 3.42Å; L97-F194 HydrophobicContact CD2-CD1 3.8Å; L97-F194 HydrophobicContact CD2-CD2 3.14Å; L97-F194 HydrophobicContact CD2-CE1 4.3Å; L97-F194 HydrophobicContact CD2-CE2 3.68Å; L97-F194 HydrophobicContact CD2-CG 3.18Å; L97-F194 HydrophobicContact CD2-CZ 4.24Å
98D98.3Very high98.5Very high28 Ų2837.5 Ų37.515%0.1520%0.2CC..  trans-15899.6179.4-174.2-11.4000108.5H100 Q101 T105 N195D98-H100 PolarHBondContact O-N 2.64Å; D98-H100 WeakPolarHBondContact OD1-CB 3.45Å; D98-H100 IonicContact OD1-CG 2.72Å; D98-H100 PolarHBondContact OD1-N 3.09Å; D98-H100 VanDerWaalsContact OD1-N 3.07Å; D98-Q101 PolarHBondContact O-N 2.8Å; D98-Q101 VanDerWaalsContact O-N 3.15Å; D98-Q101 PolarHBondContact OD2-NE2 2.96Å; D98-T105 PolarHBondContact O-OG1 3.25Å; D98-N195 WeakPolarHBondContact OD1-CB 3.45Å; D98-N195 PolarHBondContact OD1-ND2 3.49Å; D98-N195 PolarHBondContact OD2-ND2 3.24Å
99D98.4Very high98.6Very high1 Ų135.3 Ų35.31%0.00519%0.188CC..THydrogen-bonded Turntrans-82.32.3-176.8-91.336.7000113.1V150 P151 V152 Y153 N195 W197D99-V150 HydrophobicContact CB-CG1 4.46Å; D99-V150 WeakPolarHBondContact OD2-CA 3.48Å; D99-P151 WeakPolarHBondContact OD2-CD 3.38Å; D99-V152 WeakPolarHBondContact OD2-CB 3.41Å; D99-V152 PolarHBondContact OD2-N 3.19Å; D99-Y153 WeakPolarHBondContact OD1-CB 3.42Å; D99-Y153 PolarHBondContact OD1-N 2.93Å; D99-N195 PolarHBondContact N-O 2.82Å; D99-W197 HydrophobicContact CB-CB 3.89Å
100H98.6Very high98.6Very high88 Ų8839.2 Ų39.241%0.40720%0.204SC..THydrogen-bonded Turntrans-76.8-26161.6-66.6179000111.7D98 I102 N195 S196 D199D98-H100 PolarHBondContact O-N 2.64Å; D98-H100 WeakPolarHBondContact OD1-CB 3.45Å; D98-H100 IonicContact OD1-CG 2.72Å; D98-H100 PolarHBondContact OD1-N 3.09Å; D98-H100 VanDerWaalsContact OD1-N 3.07Å; H100-I102 PolarHBondContact O-N 3.02Å; H100-N195 HydrophobicContact CB-CB 4.31Å; H100-N195 PolarHBondContact ND1-ND2 2.67Å; H100-S196 PolarHBondContact CD2-O 3.42Å; H100-S196 PolarHBondContact NE2-O 2.92Å; H100-D199 IonicContact CD2-OD1 3.81Å; H100-D199 IonicContact CE1-OD1 3.98Å; H100-D199 PolarHBondContact CE1-OD1 2.93Å; H100-D199 VanDerWaalsContact CE1-OD1 3.23Å; H100-D199 IonicContact NE2-OD1 3.23Å; H100-D199 PolarHBondContact NE2-OD1 3.11Å; H100-D199 IonicContact NE2-OD2 2.64Å
101Q98.6Very high98.5Very high83 Ų8342 Ų4239%0.38822%0.22SC..  trans-102.463.6-178.4-62.5-172.671.900111.3D98 E103 R104 T105D98-Q101 PolarHBondContact O-N 2.8Å; D98-Q101 VanDerWaalsContact O-N 3.15Å; D98-Q101 PolarHBondContact OD2-NE2 2.96Å; Q101-E103 PolarHBondContact O-N 3.33Å; Q101-R104 HydrophobicContact CB-CB 3.92Å; Q101-R104 PolarHBondContact O-N 2.8Å; Q101-R104 VanDerWaalsContact O-N 3.17Å; Q101-T105 WeakPolarHBondContact O-CB 3.41Å; Q101-T105 PolarHBondContact O-N 2.86Å; Q101-T105 PolarHBondContact O-OG1 2.92Å
102I98.8Very high98.5Very high61 Ų6141.9 Ų41.931%0.31322%0.22SC..Hα-helixtrans-51.4-56.9-172-58.7-176.4000112H100 R104 T105 I106 V152H100-I102 PolarHBondContact O-N 3.02Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.1Å; I102-T105 PolarHBondContact O-N 2.86Å; I102-I106 HydrophobicContact CG2-CD1 3.99Å; I102-I106 WeakPolarHBondContact O-CG1 3.25Å; I102-I106 PolarHBondContact O-N 3.14Å; I102-V152 HydrophobicContact CG1-CG2 4.21Å; I102-V152 HydrophobicContact CG2-CG1 4.04Å; I102-V152 HydrophobicContact CG2-CG2 4.27Å
103E98.9Very high98.5Very high148 Ų14842.2 Ų42.269%0.69222%0.222SC*.Hα-helixtrans-63-40-177.3-68.178.3-176.500111.4Q101 I106 A107Q101-E103 PolarHBondContact O-N 3.33Å; E103-I106 PolarHBondContact O-N 3.42Å; E103-A107 WeakPolarHBondContact O-CB 3.41Å; E103-A107 PolarHBondContact O-N 2.96Å
104R98.7Very high98.6Very high88 Ų8842.8 Ų42.833%0.33222%0.222SC..Hα-helixtrans-68.5-41.2179.9-162.4-177.1178.579.512.6111.2I96 Q101 I102 I106 A107 V108I96-R104 HydrophobicContact CD1-CB 4.07Å; I96-R104 HydrophobicContact CD1-CG 3.73Å; Q101-R104 HydrophobicContact CB-CB 3.92Å; Q101-R104 PolarHBondContact O-N 2.8Å; Q101-R104 VanDerWaalsContact O-N 3.17Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.1Å; R104-I106 VanDerWaalsContact C-N 3.35Å; R104-A107 PolarHBondContact O-N 3.32Å; R104-V108 HydrophobicContact CG-CG2 4.26Å; R104-V108 WeakPolarHBondContact O-CB 3.37Å; R104-V108 WeakPolarHBondContact O-CG2 3.31Å; R104-V108 PolarHBondContact O-N 3.29Å
105T98.8Very high98.6Very high0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-62-44.6177.5-72.30000110.2D98 Q101 I102 N109 V152 T156D98-T105 PolarHBondContact O-OG1 3.25Å; Q101-T105 WeakPolarHBondContact O-CB 3.41Å; Q101-T105 PolarHBondContact O-N 2.86Å; Q101-T105 PolarHBondContact O-OG1 2.92Å; I102-T105 PolarHBondContact O-N 2.86Å; T105-N109 WeakPolarHBondContact O-CB 3.28Å; T105-N109 VanDerWaalsContact O-CG 3.24Å; T105-N109 PolarHBondContact O-N 3.03Å; T105-V152 HydrophobicContact CG2-CG1 3.99Å; T105-T156 HydrophobicContact CG2-CG2 4.02Å
106I98.9Very high98.7Very high71 Ų7142 Ų4236%0.36421%0.207SC..Hα-helixtrans-63.6-47.3174-64.4166.9000111.1I102 E103 R104 V108 Y110 T111 V152 T156I102-I106 HydrophobicContact CG2-CD1 3.99Å; I102-I106 WeakPolarHBondContact O-CG1 3.25Å; I102-I106 PolarHBondContact O-N 3.14Å; E103-I106 PolarHBondContact O-N 3.42Å; R104-I106 VanDerWaalsContact C-N 3.35Å; I106-V108 PolarHBondContact O-N 3.17Å; I106-Y110 PolarHBondContact O-N 2.81Å; I106-Y110 VanDerWaalsContact O-N 3.09Å; I106-T111 PolarHBondContact O-N 3.32Å; I106-V152 HydrophobicContact CD1-CG1 4.38Å; I106-V152 HydrophobicContact CG1-CG1 4.06Å; I106-T156 HydrophobicContact CB-CG2 4.43Å; I106-T156 HydrophobicContact CG1-CG2 4.01Å
107A98.9Very high98.8Very high30 Ų3040 Ų4025%0.24820%0.198CC..Iπ-helixtrans-62.6-43.7-176.600000112.5T67 E103 R104 G112T67-A107 HydrophobicContact CG2-CB 4.11Å; E103-A107 WeakPolarHBondContact O-CB 3.41Å; E103-A107 PolarHBondContact O-N 2.96Å; R104-A107 PolarHBondContact O-N 3.32Å; A107-G112 WeakPolarHBondContact O-CA 3.15Å; A107-G112 PolarHBondContact O-N 2.99Å
108V98.8Very high98.8Very high10 Ų1042.2 Ų42.26%0.06121%0.212CC..Iπ-helixtrans-77.7-52.6-179173.80000111.2V66 T67 A94 I96 R104 I106V66-V108 HydrophobicContact CG2-CB 4.34Å; V66-V108 HydrophobicContact CG2-CG1 3.96Å; V66-V108 HydrophobicContact CG2-CG2 4.43Å; T67-V108 HydrophobicContact CG2-CG2 3.71Å; A94-V108 HydrophobicContact CB-CG1 4.3Å; I96-V108 HydrophobicContact CD1-CG2 4.39Å; I96-V108 HydrophobicContact CG1-CB 4.29Å; I96-V108 HydrophobicContact CG1-CG1 4.5Å; I96-V108 HydrophobicContact CG2-CG1 4.29Å; R104-V108 HydrophobicContact CG-CG2 4.26Å; R104-V108 WeakPolarHBondContact O-CB 3.37Å; R104-V108 WeakPolarHBondContact O-CG2 3.31Å; R104-V108 PolarHBondContact O-N 3.29Å; I106-V108 PolarHBondContact O-N 3.17Å
109N98.9Very high98.8Very high1 Ų140.9 Ų40.91%0.00521%0.205CC..Iπ-helixtrans-75.9-30.8-167.7-63.52.9000112.9G95 I96 T105 Y153 T156 V160G95-N109 WeakPolarHBondContact CA-OD1 3.33Å; I96-N109 PolarHBondContact N-OD1 3.45Å; I96-N109 PolarHBondContact O-ND2 3.04Å; I96-N109 PolarHBondContact O-OD1 2.96Å; T105-N109 WeakPolarHBondContact O-CB 3.28Å; T105-N109 VanDerWaalsContact O-CG 3.24Å; T105-N109 PolarHBondContact O-N 3.03Å; N109-Y153 WeakPolarHBondContact ND2-CD2 3.47Å; N109-T156 HydrophobicContact CB-CG2 4.14Å; N109-T156 VanDerWaalsContact CB-OG1 3.28Å; N109-T156 WeakPolarHBondContact CB-OG1 3.24Å; N109-T156 PolarHBondContact ND2-OG1 2.88Å; N109-T156 VanDerWaalsContact ND2-OG1 3.15Å; N109-V160 VanDerWaalsContact O-CG2 3.3Å; N109-V160 WeakPolarHBondContact O-CG2 3.46Å
110Y98.9Very high98.9Very high82 Ų8240.8 Ų40.832%0.32220%0.204SC..Iπ-helixtrans-117.1-63.9-175.1179-129.3000112.2I106 G112 L113 V114 A159 V160 F163I106-Y110 PolarHBondContact O-N 2.81Å; I106-Y110 VanDerWaalsContact O-N 3.09Å; Y110-G112 VanDerWaalsContact C-N 3.31Å; Y110-G112 PolarHBondContact O-N 2.9Å; Y110-L113 PolarHBondContact O-N 2.78Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; Y110-V114 HydrophobicContact CD2-CG2 3.86Å; Y110-V114 HydrophobicContact CE2-CG2 3.45Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.45Å; Y110-V114 WeakPolarHBondContact O-CG2 3.47Å; Y110-V114 PolarHBondContact O-N 3.32Å; Y110-A159 HydrophobicContact CD1-CB 4.19Å; Y110-A159 HydrophobicContact CD2-CB 3.66Å; Y110-A159 HydrophobicContact CE1-CB 4.22Å; Y110-A159 HydrophobicContact CE2-CB 3.71Å; Y110-A159 HydrophobicContact CG-CB 3.92Å; Y110-V160 HydrophobicContact CD2-CG2 4.26Å; Y110-F163 HydrophobicContact CE2-CB 4.28Å
111T98.9Very high98.9Very high57 Ų5738 Ų3835%0.3519%0.192SC..Iπ-helixtrans-59.7-43-173.7-52.40000111.7I106 L113 V114 N115I106-T111 PolarHBondContact O-N 3.32Å; T111-L113 PolarHBondContact O-N 3.26Å; T111-V114 PolarHBondContact O-N 2.86Å; T111-N115 VanDerWaalsContact O-CB 3.31Å; T111-N115 WeakPolarHBondContact O-CB 3.31Å; T111-N115 PolarHBondContact O-N 2.8Å; T111-N115 PolarHBondContact O-OD1 3.49Å
112G98.9Very high98.9Very high0 Ų037.9 Ų37.90%019%0.194CC..Iπ-helixtrans-59.2-47.517700000112.2V66 A107 Y110 V114 N115 T116V66-G112 VanDerWaalsContact O-CA 3.27Å; V66-G112 WeakPolarHBondContact O-CA 2.91Å; A107-G112 WeakPolarHBondContact O-CA 3.15Å; A107-G112 PolarHBondContact O-N 2.99Å; Y110-G112 VanDerWaalsContact C-N 3.31Å; Y110-G112 PolarHBondContact O-N 2.9Å; G112-V114 PolarHBondContact O-N 2.8Å; G112-N115 PolarHBondContact O-N 2.82Å; G112-T116 PolarHBondContact O-N 3.45Å; G112-T116 PolarHBondContact O-OG1 3.38Å
113L98.9Very high98.9Very high10 Ų1037.2 Ų37.25%0.05219%0.189CC..Hα-helixtrans-61.5-42.2177-179.7155.5000112.7N92 Y110 T111 T117 N137 V160 F163N92-L113 HydrophobicContact CB-CD1 3.76Å; N92-L113 HydrophobicContact CB-CG 3.75Å; Y110-L113 PolarHBondContact O-N 2.78Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; T111-L113 PolarHBondContact O-N 3.26Å; L113-T117 VanDerWaalsContact O-CB 3.31Å; L113-T117 WeakPolarHBondContact O-CB 3.47Å; L113-T117 PolarHBondContact O-N 2.94Å; L113-T117 PolarHBondContact O-OG1 3.14Å; L113-N137 HydrophobicContact CD1-CB 4.06Å; L113-V160 HydrophobicContact CD1-CG1 3.72Å; L113-V160 HydrophobicContact CD1-CG2 3.92Å; L113-F163 HydrophobicContact CD2-CD1 3.66Å; L113-F163 HydrophobicContact CD2-CE1 3.72Å
114V98.9Very high98.9Very high29 Ų2930.2 Ų30.218%0.17616%0.156CC..Hα-helixtrans-63.9-43.2174.8174.30000110.5Y110 T111 G112 T117 T118 F163Y110-V114 HydrophobicContact CD2-CG2 3.86Å; Y110-V114 HydrophobicContact CE2-CG2 3.45Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.45Å; Y110-V114 WeakPolarHBondContact O-CG2 3.47Å; Y110-V114 PolarHBondContact O-N 3.32Å; T111-V114 PolarHBondContact O-N 2.86Å; G112-V114 PolarHBondContact O-N 2.8Å; V114-T117 PolarHBondContact O-N 3.4Å; V114-T118 WeakPolarHBondContact O-CB 3.4Å; V114-T118 PolarHBondContact O-N 3.3Å; V114-T118 PolarHBondContact O-OG1 2.98Å; V114-F163 HydrophobicContact CB-CE1 4.5Å; V114-F163 HydrophobicContact CB-CZ 4.25Å; V114-F163 HydrophobicContact CG1-CE2 4.08Å; V114-F163 HydrophobicContact CG1-CZ 4.07Å; V114-F163 HydrophobicContact CG2-CD1 4.06Å; V114-F163 HydrophobicContact CG2-CD2 4.06Å; V114-F163 HydrophobicContact CG2-CE1 3.97Å; V114-F163 HydrophobicContact CG2-CE2 4.01Å; V114-F163 HydrophobicContact CG2-CG 4.09Å; V114-F163 HydrophobicContact CG2-CZ 3.96Å
115N98.9Very high98.9Very high32 Ų3226.4 Ų26.417%0.17114%0.142CC..Hα-helixtrans-65.9-45179.6-75.3-5.7000112.1I70 T111 G112 T117 T118 A119I70-N115 HydrophobicContact CG1-CB 3.76Å; T111-N115 VanDerWaalsContact O-CB 3.31Å; T111-N115 WeakPolarHBondContact O-CB 3.31Å; T111-N115 PolarHBondContact O-N 2.8Å; T111-N115 PolarHBondContact O-OD1 3.49Å; G112-N115 PolarHBondContact O-N 2.82Å; N115-T117 VanDerWaalsContact C-N 3.33Å; N115-T117 PolarHBondContact O-N 3.42Å; N115-T118 PolarHBondContact O-N 2.86Å; N115-A119 WeakPolarHBondContact O-CB 3.41Å; N115-A119 PolarHBondContact O-N 3.1Å
116T98.9Very high98.8Very high1 Ų131.3 Ų31.31%0.00616%0.164CC..Hα-helixtrans-62.2-42.3175.6-46.80000111.3V13 Y64 T73 L90 G112 A119 I120V13-T116 HydrophobicContact CG2-CG2 4.21Å; Y64-T116 HydrophobicContact CE1-CG2 4.31Å; Y64-T116 PolarHBondContact OH-OG1 3.05Å; T73-T116 HydrophobicContact CG2-CG2 4.28Å; L90-T116 HydrophobicContact CD1-CG2 4.45Å; L90-T116 HydrophobicContact CD2-CG2 4.23Å; G112-T116 PolarHBondContact O-N 3.45Å; G112-T116 PolarHBondContact O-OG1 3.38Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-I120 PolarHBondContact O-N 3.28Å
117T98.9Very high98.8Very high2 Ų235.9 Ų35.91%0.01218%0.177CC..Hα-helixtrans-61.7-44.2174.2-63.60000111.8N92 L113 V114 N115 I120 L121 I135 F163 L167N92-T117 PolarHBondContact ND2-OG1 2.93Å; L113-T117 VanDerWaalsContact O-CB 3.31Å; L113-T117 WeakPolarHBondContact O-CB 3.47Å; L113-T117 PolarHBondContact O-N 2.94Å; L113-T117 PolarHBondContact O-OG1 3.14Å; V114-T117 PolarHBondContact O-N 3.4Å; N115-T117 VanDerWaalsContact C-N 3.33Å; N115-T117 PolarHBondContact O-N 3.42Å; T117-I120 WeakPolarHBondContact O-CG2 3.39Å; T117-I120 PolarHBondContact O-N 2.94Å; T117-L121 PolarHBondContact O-N 3.14Å; T117-I135 HydrophobicContact CG2-CD1 3.61Å; T117-F163 HydrophobicContact CG2-CE1 3.99Å; T117-F163 HydrophobicContact CG2-CZ 3.87Å; T117-L167 HydrophobicContact CG2-CD1 3.82Å; T117-L167 HydrophobicContact CG2-CD2 3.99Å
118T98.9Very high98.8Very high64 Ų6440.5 Ų40.539%0.39319%0.191SC..Hα-helixtrans-63.9-43.6178.7-58.10000110.8I70 V114 N115 I120 L121I70-T118 HydrophobicContact CD1-CG2 4.04Å; I70-T118 HydrophobicContact CG2-CG2 4.49Å; V114-T118 WeakPolarHBondContact O-CB 3.4Å; V114-T118 PolarHBondContact O-N 3.3Å; V114-T118 PolarHBondContact O-OG1 2.98Å; N115-T118 PolarHBondContact O-N 2.86Å; T118-I120 PolarHBondContact O-N 3.45Å; T118-L121 PolarHBondContact O-N 3.2Å
119A98.9Very high98.8Very high0 Ų043.4 Ų43.40%022%0.223CC..Hα-helixtrans-62.6-41.2178.800000112.7I70 T73 T74 L77 N115 T116 L121 D122I70-A119 HydrophobicContact CG2-CB 4.11Å; T73-A119 HydrophobicContact CG2-CB 3.56Å; T74-A119 WeakPolarHBondContact OG1-CB 3.19Å; L77-A119 HydrophobicContact CD1-CB 3.87Å; N115-A119 WeakPolarHBondContact O-CB 3.41Å; N115-A119 PolarHBondContact O-N 3.1Å; T116-A119 PolarHBondContact O-N 3.38Å; A119-L121 VanDerWaalsContact C-N 3.3Å; A119-L121 PolarHBondContact O-N 2.94Å; A119-D122 WeakPolarHBondContact O-CB 3.43Å; A119-D122 PolarHBondContact O-N 3.24Å
120I98.9Very high98.8Very high0 Ų044.1 Ų44.10%023%0.231CC..Hα-helixtrans-71.4-25.4-179.3-155.6165.2000112.7L77 F81 L90 T116 T117 T118 D122 F123 W124 I135L77-I120 HydrophobicContact CD1-CB 3.86Å; L77-I120 HydrophobicContact CD1-CG1 4.19Å; F81-I120 HydrophobicContact CE2-CD1 4.28Å; F81-I120 HydrophobicContact CE2-CG1 4.04Å; F81-I120 HydrophobicContact CZ-CD1 4.37Å; F81-I120 HydrophobicContact CZ-CG1 4.14Å; L90-I120 HydrophobicContact CB-CD1 3.92Å; L90-I120 HydrophobicContact CD2-CB 4.23Å; L90-I120 HydrophobicContact CD2-CD1 3.9Å; L90-I120 HydrophobicContact CD2-CG2 3.75Å; L90-I120 HydrophobicContact CG-CD1 4.33Å; T116-I120 PolarHBondContact O-N 3.28Å; T117-I120 WeakPolarHBondContact O-CG2 3.39Å; T117-I120 PolarHBondContact O-N 2.94Å; T118-I120 PolarHBondContact O-N 3.45Å; I120-D122 PolarHBondContact O-N 3.14Å; I120-F123 PolarHBondContact O-N 3.31Å; I120-W124 HydrophobicContact CD1-CD2 4.12Å; I120-W124 HydrophobicContact CD1-CE3 3.98Å; I120-W124 HydrophobicContact CD1-CH2 3.72Å; I120-W124 HydrophobicContact CD1-CZ2 3.85Å; I120-W124 HydrophobicContact CD1-CZ3 3.78Å; I120-W124 HydrophobicContact CG1-CD2 3.96Å; I120-W124 HydrophobicContact CG1-CE3 3.96Å; I120-W124 HydrophobicContact CG1-CG 4.49Å; I120-W124 HydrophobicContact CG1-CZ3 4.27Å; I120-W124 HydrophobicContact CG2-CE3 3.81Å; I120-W124 HydrophobicContact CG2-CZ3 4.07Å; I120-W124 PolarHBondContact O-N 3.32Å; I120-W124 VanDerWaalsContact O-N 3.12Å; I120-I135 HydrophobicContact CG2-CD1 4.36Å
121L98.8Very high98.7Very high30 Ų3045.5 Ų45.516%0.15725%0.25CC..Hα-helixtrans-62.8-21.1174.8-71.9-155.5000113T117 T118 A119 F123 W124 D125 T174 V176T117-L121 PolarHBondContact O-N 3.14Å; T118-L121 PolarHBondContact O-N 3.2Å; A119-L121 VanDerWaalsContact C-N 3.3Å; A119-L121 PolarHBondContact O-N 2.94Å; L121-F123 PolarHBondContact O-N 3.13Å; L121-F123 VanDerWaalsContact O-N 3.13Å; L121-W124 PolarHBondContact O-N 2.94Å; L121-D125 HydrophobicContact CB-CB 4.42Å; L121-D125 WeakPolarHBondContact O-CB 3.13Å; L121-D125 PolarHBondContact O-N 3.09Å; L121-T174 HydrophobicContact CD1-CG2 4.22Å; L121-V176 HydrophobicContact CD2-CB 4.03Å; L121-V176 HydrophobicContact CD2-CG1 4.23Å; L121-V176 HydrophobicContact CD2-CG2 3.52Å
122D98.5Very high98.7Very high79 Ų7943.1 Ų43.142%0.42224%0.237SC..Hα-helixtrans-60-24.2172.3-88.4-20.6000113.3T74 A119 I120 K128T74-D122 HydrophobicContact CG2-CB 4.43Å; A119-D122 WeakPolarHBondContact O-CB 3.43Å; A119-D122 PolarHBondContact O-N 3.24Å; I120-D122 PolarHBondContact O-N 3.14Å; D122-K128 PolarHBondContact O-NZ 3.23Å; D122-K128 IonicContact OD1-NZ 2.89Å; D122-K128 PolarHBondContact OD1-NZ 3.06Å
123F98.8Very high98.7Very high48 Ų4843.8 Ų43.821%0.21124%0.244CC..Hα-helixtrans-104.9-27.7-179.5-53.6-88.2000112.9T74 L77 K78 F81 I120 L121 P131T74-F123 HydrophobicContact CG2-CE2 4.03Å; T74-F123 HydrophobicContact CG2-CZ 4.1Å; L77-F123 HydrophobicContact CB-CD2 4.3Å; L77-F123 HydrophobicContact CB-CE2 3.62Å; L77-F123 HydrophobicContact CB-CZ 4.09Å; L77-F123 HydrophobicContact CD1-CE2 4.37Å; K78-F123 HydrophobicContact CB-CE1 4.14Å; K78-F123 HydrophobicContact CB-CZ 3.89Å; K78-F123 HydrophobicContact CG-CE1 4.46Å; F81-F123 HydrophobicContact CB-CD1 4.13Å; F81-F123 HydrophobicContact CB-CE1 4.34Å; F81-F123 HydrophobicContact CD1-CB 4.09Å; F81-F123 HydrophobicContact CD1-CD1 4.26Å; F81-F123 HydrophobicContact CD1-CG 4.34Å; F81-F123 HydrophobicContact CD2-CB 4.26Å; F81-F123 AromaticContact CD2-CD1 3.99Å; F81-F123 HydrophobicContact CD2-CD1 3.99Å; F81-F123 HydrophobicContact CD2-CD2 4.22Å; F81-F123 HydrophobicContact CD2-CE1 4.42Å; F81-F123 AromaticContact CD2-CG 3.88Å; F81-F123 HydrophobicContact CD2-CG 3.88Å; F81-F123 HydrophobicContact CE1-CB 3.72Å; F81-F123 HydrophobicContact CE1-CG 4.35Å; F81-F123 HydrophobicContact CE2-CB 3.93Å; F81-F123 HydrophobicContact CE2-CD1 4.46Å; F81-F123 HydrophobicContact CE2-CD2 4.09Å; F81-F123 AromaticContact CE2-CG 3.9Å; F81-F123 HydrophobicContact CE2-CG 3.9Å; F81-F123 HydrophobicContact CG-CB 4.34Å; F81-F123 AromaticContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CE1 4.44Å; F81-F123 HydrophobicContact CG-CG 4.11Å; F81-F123 HydrophobicContact CZ-CB 3.63Å; F81-F123 HydrophobicContact CZ-CG 4.13Å; I120-F123 PolarHBondContact O-N 3.31Å; L121-F123 PolarHBondContact O-N 3.13Å; L121-F123 VanDerWaalsContact O-N 3.13Å; F123-P131 WeakPolarHBondContact O-CD 3.48Å
124W98.9Very high98.7Very high0 Ų044 Ų440%025%0.245CC..Hα-helixtrans-103.2-22.1-173.5-78.4-13.8000115.4F81 V87 L90 I120 L121 K126 G130 G132 I134 I135 V176F81-W124 AromaticContact CE1-NE1 3.86Å; F81-W124 AromaticContact CZ-CD1 3.96Å; F81-W124 AromaticContact CZ-NE1 3.62Å; V87-W124 HydrophobicContact CB-CZ2 4.01Å; V87-W124 HydrophobicContact CG1-CZ2 3.83Å; V87-W124 VanDerWaalsContact O-CZ2 3.25Å; V87-W124 WeakPolarHBondContact O-CZ2 3.35Å; V87-W124 PolarHBondContact O-NE1 2.96Å; L90-W124 HydrophobicContact CB-CH2 3.77Å; L90-W124 HydrophobicContact CB-CZ3 4.01Å; I120-W124 HydrophobicContact CD1-CD2 4.12Å; I120-W124 HydrophobicContact CD1-CE3 3.98Å; I120-W124 HydrophobicContact CD1-CH2 3.72Å; I120-W124 HydrophobicContact CD1-CZ2 3.85Å; I120-W124 HydrophobicContact CD1-CZ3 3.78Å; I120-W124 HydrophobicContact CG1-CD2 3.96Å; I120-W124 HydrophobicContact CG1-CE3 3.96Å; I120-W124 HydrophobicContact CG1-CG 4.49Å; I120-W124 HydrophobicContact CG1-CZ3 4.27Å; I120-W124 HydrophobicContact CG2-CE3 3.81Å; I120-W124 HydrophobicContact CG2-CZ3 4.07Å; I120-W124 PolarHBondContact O-N 3.32Å; I120-W124 VanDerWaalsContact O-N 3.12Å; L121-W124 PolarHBondContact O-N 2.94Å; W124-K126 PolarHBondContact O-N 3.36Å; W124-K126 VanDerWaalsContact O-N 3.13Å; W124-G130 CarbonylContact O-C 3.59Å; W124-G132 PolarHBondContact NE1-O 3.23Å; W124-G132 VanDerWaalsContact O-CA 3.28Å; W124-G132 WeakPolarHBondContact O-CA 3.47Å; W124-G132 PolarHBondContact O-N 3.4Å; W124-I134 WeakPolarHBondContact CH2-O 3.25Å; W124-I135 HydrophobicContact CZ3-CD1 4.47Å; W124-I135 HydrophobicContact CZ3-CG1 3.81Å; W124-V176 HydrophobicContact CB-CG2 3.72Å; W124-V176 HydrophobicContact CE3-CG1 4.15Å; W124-V176 HydrophobicContact CE3-CG2 4.19Å; W124-V176 HydrophobicContact CZ3-CG1 4.46Å
125D98.8Very high98.7Very high8 Ų842.7 Ų42.74%0.04324%0.237CC..  trans-62.9116.9-173.7-172.8-8.9000112.1L121 R127 K128 G129 G130L121-D125 HydrophobicContact CB-CB 4.42Å; L121-D125 WeakPolarHBondContact O-CB 3.13Å; L121-D125 PolarHBondContact O-N 3.09Å; D125-R127 PolarHBondContact O-N 2.93Å; D125-R127 VanDerWaalsContact O-N 3.15Å; D125-R127 VanDerWaalsContact OD1-CB 3.29Å; D125-R127 WeakPolarHBondContact OD1-CB 3.28Å; D125-R127 VanDerWaalsContact OD1-CG 3.31Å; D125-R127 WeakPolarHBondContact OD1-CG 3.42Å; D125-R127 IonicContact OD1-CZ 2.62Å; D125-R127 PolarHBondContact OD1-N 3.45Å; D125-R127 IonicContact OD1-NE 2.91Å; D125-R127 PolarHBondContact OD1-NE 3.05Å; D125-R127 IonicContact OD2-CZ 3.04Å; D125-R127 IonicContact OD2-NE 3.92Å; D125-R127 PolarHBondContact OD2-NE 3.35Å; D125-R127 IonicContact OD2-NH2 2.67Å; D125-R127 PolarHBondContact OD2-NH2 3.23Å; D125-K128 HydrophobicContact CB-CD 4.19Å; D125-K128 HydrophobicContact CB-CG 4.21Å; D125-K128 WeakPolarHBondContact O-CA 3.46Å; D125-K128 WeakPolarHBondContact O-CB 3.29Å; D125-K128 PolarHBondContact O-N 2.81Å; D125-G129 PolarHBondContact O-N 3.39Å; D125-G130 PolarHBondContact O-N 3.41Å
126K98.4Very high98.7Very high103 Ų10341.2 Ų41.245%0.44823%0.229SC..G310 helixtrans-60.8-25-18075.4176.4179.8165.80113.4W124 K128 G129 G130 P172 I173 T174W124-K126 PolarHBondContact O-N 3.36Å; W124-K126 VanDerWaalsContact O-N 3.13Å; K126-K128 PolarHBondContact O-N 3.14Å; K126-G129 PolarHBondContact O-N 2.97Å; K126-G130 WeakPolarHBondContact CA-O 3.45Å; K126-P172 WeakPolarHBondContact CE-O 3.45Å; K126-P172 PolarHBondContact NZ-O 3.08Å; K126-I173 WeakPolarHBondContact CE-O 3.22Å; K126-I173 WeakPolarHBondContact CG-O 3.5Å; K126-T174 PolarHBondContact N-O 3.21Å
127R98.7Very high98.7Very high168 Ų16841.1 Ų41.163%0.63423%0.228SC*.G310 helixtrans-66-22.4174.9-58175.7-65.1169.53.8111.9D125 I173D125-R127 PolarHBondContact O-N 2.93Å; D125-R127 VanDerWaalsContact O-N 3.15Å; D125-R127 VanDerWaalsContact OD1-CB 3.29Å; D125-R127 WeakPolarHBondContact OD1-CB 3.28Å; D125-R127 VanDerWaalsContact OD1-CG 3.31Å; D125-R127 WeakPolarHBondContact OD1-CG 3.42Å; D125-R127 IonicContact OD1-CZ 2.62Å; D125-R127 PolarHBondContact OD1-N 3.45Å; D125-R127 IonicContact OD1-NE 2.91Å; D125-R127 PolarHBondContact OD1-NE 3.05Å; D125-R127 IonicContact OD2-CZ 3.04Å; D125-R127 IonicContact OD2-NE 3.92Å; D125-R127 PolarHBondContact OD2-NE 3.35Å; D125-R127 IonicContact OD2-NH2 2.67Å; D125-R127 PolarHBondContact OD2-NH2 3.23Å; R127-I173 WeakPolarHBondContact CG-O 3.31Å
128K98.3Very high98.7Very high126 Ų12642 Ų4255%0.54823%0.232SC..G310 helixtrans-100.310.6175-53.317876.4-165.20112D122 D125 K126 G130D122-K128 PolarHBondContact O-NZ 3.23Å; D122-K128 IonicContact OD1-NZ 2.89Å; D122-K128 PolarHBondContact OD1-NZ 3.06Å; D125-K128 HydrophobicContact CB-CD 4.19Å; D125-K128 HydrophobicContact CB-CG 4.21Å; D125-K128 WeakPolarHBondContact O-CA 3.46Å; D125-K128 WeakPolarHBondContact O-CB 3.29Å; D125-K128 PolarHBondContact O-N 2.81Å; K126-K128 PolarHBondContact O-N 3.14Å; K128-G130 VanDerWaalsContact C-N 3.34Å
129G98.2Very high98.7Very high72 Ų7239 Ų3974%0.74222%0.215SC*.THydrogen-bonded Turntrans79.211.4-174.800000114.7D125 K126D125-G129 PolarHBondContact O-N 3.39Å; K126-G129 PolarHBondContact O-N 2.97Å
130G98.6Very high98.7Very high15 Ų1539.5 Ų39.516%0.15522%0.218CC..  trans-69.2157.6175.500000113W124 D125 K126 K128 G132W124-G130 CarbonylContact O-C 3.59Å; D125-G130 PolarHBondContact O-N 3.41Å; K126-G130 WeakPolarHBondContact CA-O 3.45Å; K128-G130 VanDerWaalsContact C-N 3.34Å; G130-G132 PolarHBondContact O-N 3.24Å
131P98.4Very high98.6Very high111 Ų11141.2 Ų41.272%0.72123%0.228SC*.  trans-78.8-2.4-175.732.5-36.3000114.3F123F123-P131 WeakPolarHBondContact O-CD 3.48Å
132G98.6Very high98.6Very high8 Ų840 Ų408%0.08222%0.223CC..  trans77.4-171.5-163.800000112.6W124 G130 G175W124-G132 PolarHBondContact NE1-O 3.23Å; W124-G132 VanDerWaalsContact O-CA 3.28Å; W124-G132 WeakPolarHBondContact O-CA 3.47Å; W124-G132 PolarHBondContact O-N 3.4Å; G130-G132 PolarHBondContact O-N 3.24Å; G132-G175 WeakPolarHBondContact CA-O 3.49Å
133G98.6Very high98.6Very high14 Ų1437 Ų3714%0.14421%0.21CC..EExtended strand (participates in β ladder)trans177.7-178.4-177.700000113.6G175 V176 T177G133-G175 PolarHBondContact N-O 3.03Å; G133-V176 WeakPolarHBondContact O-CA 3.33Å; G133-T177 PolarHBondContact O-N 3.06Å; G133-T177 PolarHBondContact O-OG1 3.26Å
134I98.9Very high98.6Very high15 Ų1538.5 Ų38.58%0.07722%0.216CC..EExtended strand (participates in β ladder)trans-122.2127.8179.2-58.3163.4000109.4F3 D88 V89 L90 W124 Y179F3-I134 HydrophobicContact CD2-CD1 3.94Å; F3-I134 HydrophobicContact CE2-CD1 3.39Å; F3-I134 HydrophobicContact CZ-CD1 3.73Å; D88-I134 PolarHBondContact O-N 3.24Å; D88-I134 VanDerWaalsContact O-N 3.17Å; V89-I134 WeakPolarHBondContact CA-O 3.18Å; V89-I134 HydrophobicContact CG1-CG2 4.45Å; V89-I134 HydrophobicContact CG2-CB 4.3Å; V89-I134 HydrophobicContact CG2-CD1 4.32Å; L90-I134 PolarHBondContact N-O 2.79Å; W124-I134 WeakPolarHBondContact CH2-O 3.25Å; I134-Y179 HydrophobicContact CG2-CE1 3.68Å
135I98.9Very high98.6Very high1 Ų144.9 Ų44.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-110.7122.8172.7-62.9179.7000110L90 T117 I120 W124 N137 L167 V176 T177 A178 Y179L90-I135 HydrophobicContact CB-CG1 4.48Å; L90-I135 WeakPolarHBondContact O-CA 3.36Å; T117-I135 HydrophobicContact CG2-CD1 3.61Å; I120-I135 HydrophobicContact CG2-CD1 4.36Å; W124-I135 HydrophobicContact CZ3-CD1 4.47Å; W124-I135 HydrophobicContact CZ3-CG1 3.81Å; I135-N137 VanDerWaalsContact CG2-OD1 3.26Å; I135-N137 WeakPolarHBondContact CG2-OD1 3.33Å; I135-L167 HydrophobicContact CD1-CD1 4.42Å; I135-V176 HydrophobicContact CD1-CG1 3.72Å; I135-V176 HydrophobicContact CG1-CG1 3.81Å; I135-T177 PolarHBondContact N-O 2.82Å; I135-A178 HydrophobicContact CB-CB 4.06Å; I135-A178 WeakPolarHBondContact O-CA 3.37Å; I135-Y179 PolarHBondContact O-N 3.25Å; I135-Y179 VanDerWaalsContact O-N 3.09Å
136C98.8Very high98.6Very high0 Ų047.4 Ų47.40%027%0.272CS..EExtended strand (participates in β ladder)trans-108.1113.4168178.80000109.2L90 I91 N92 Y179 F223L90-C136 PolarHBondContact O-N 3.48Å; I91-C136 CarbonylContact C-O 3.59Å; I91-C136 VanDerWaalsContact CA-O 3.29Å; I91-C136 WeakPolarHBondContact CA-O 3.49Å; I91-C136 HydrophobicContact CG1-CB 4.29Å; I91-C136 HydrophobicContact CG2-CB 4.47Å; N92-C136 PolarHBondContact N-O 3.19Å; C136-Y179 HydrophobicContact CB-CD2 4.34Å; C136-Y179 HydrophobicContact CB-CE2 3.68Å; C136-F223 WeakPolarHBondContact SG-CE1 3.49Å; C136-F223 VanDerWaalsContact SG-CZ 3.57Å
137N98.9Very high98.6Very high0 Ų043.7 Ų43.70%026%0.257CS..EExtended strand (participates in β ladder)trans-98.8129.5177.7-73.4-25.2000110.7N92 L113 I135 G139 V160 T164 Y179 T180 V181N92-N137 WeakPolarHBondContact CB-OD1 3.24Å; N92-N137 PolarHBondContact ND2-OD1 2.83Å; L113-N137 HydrophobicContact CD1-CB 4.06Å; I135-N137 VanDerWaalsContact CG2-OD1 3.26Å; I135-N137 WeakPolarHBondContact CG2-OD1 3.33Å; N137-G139 PolarHBondContact O-N 3.13Å; N137-V160 HydrophobicContact CB-CG1 4.03Å; N137-T164 HydrophobicContact CB-CG2 4.28Å; N137-T164 WeakPolarHBondContact CB-OG1 3.47Å; N137-T164 PolarHBondContact ND2-OG1 3.48Å; N137-Y179 PolarHBondContact N-O 3.31Å; N137-Y179 VanDerWaalsContact N-O 3.1Å; N137-T180 HydrophobicContact CB-CG2 4.45Å; N137-T180 WeakPolarHBondContact O-CA 3.35Å; N137-V181 PolarHBondContact O-N 2.8Å
138I98.8Very high98.6Very high19 Ų1944.2 Ų44.210%0.09726%0.261CS..EExtended strand (participates in β ladder)trans-81.896.3172.9-50.5-168.3000109.2F12 I91 N92 K157 V181 P183 F223F12-I138 HydrophobicContact CE1-CD1 3.93Å; F12-I138 HydrophobicContact CZ-CD1 4.08Å; I91-I138 HydrophobicContact CG2-CD1 4.27Å; I91-I138 HydrophobicContact CG2-CG1 4.24Å; N92-I138 WeakPolarHBondContact O-CG1 3.37Å; N92-I138 PolarHBondContact O-N 2.68Å; I138-K157 PolarHBondContact O-NZ 2.89Å; I138-V181 CarbonylContact C-O 3.59Å; I138-P183 HydrophobicContact CG2-CG 4.49Å; I138-F223 HydrophobicContact CD1-CE2 3.48Å; I138-F223 VanDerWaalsContact CD1-CE2 3.48Å; I138-F223 HydrophobicContact CD1-CZ 3.75Å; I138-F223 HydrophobicContact CG1-CE2 3.58Å; I138-F223 HydrophobicContact CG1-CZ 3.64Å
139G98.3Very high98.6Very high3 Ų339.3 Ų39.33%0.03124%0.24CC..  trans-79.1-138170.600000111.7N137 K157 V181 N182N137-G139 PolarHBondContact O-N 3.13Å; G139-K157 PolarHBondContact O-NZ 2.64Å; G139-V181 PolarHBondContact N-O 2.86Å; G139-N182 WeakPolarHBondContact CA-OD1 3.29Å
140S98.7Very high98.6Very high9 Ų935.9 Ų35.96%0.06320%0.204CC..  trans-173.4150.2177.9172.30000108.6T142 G143 N182S140-T142 VanDerWaalsContact CB-OG1 3.31Å; S140-T142 WeakPolarHBondContact CB-OG1 3.31Å; S140-T142 PolarHBondContact O-N 2.92Å; S140-T142 VanDerWaalsContact O-N 3.13Å; S140-T142 WeakPolarHBondContact OG-CB 3.46Å; S140-T142 WeakPolarHBondContact OG-CG2 3.45Å; S140-T142 PolarHBondContact OG-N 2.96Å; S140-T142 PolarHBondContact OG-OG1 2.95Å; S140-G143 PolarHBondContact O-N 3.04Å; S140-N182 PolarHBondContact N-OD1 3.31Å
141V98.7Very high98.6Very high36 Ų3637.4 Ų37.422%0.21821%0.211CC..G310 helixtrans-58.5-22.8169.1-64.30000112.8G143 F144 N145 P183 K237V141-G143 PolarHBondContact O-N 3.15Å; V141-F144 HydrophobicContact CB-CD2 4.38Å; V141-F144 HydrophobicContact CG1-CE2 4.38Å; V141-F144 WeakPolarHBondContact O-CB 3.33Å; V141-F144 PolarHBondContact O-N 3.01Å; V141-N145 PolarHBondContact O-N 2.83Å; V141-P183 PolarHBondContact N-O 2.9Å; V141-K237 HydrophobicContact CG1-CD 4.22Å; V141-K237 HydrophobicContact CG1-CG 3.85Å
142T98.6Very high98.6Very high6 Ų633.3 Ų33.34%0.03718%0.184CC..G310 helixtrans-64.4-19.1173.865.80000113.4S140 F144 N145 I147 Y153S140-T142 VanDerWaalsContact CB-OG1 3.31Å; S140-T142 WeakPolarHBondContact CB-OG1 3.31Å; S140-T142 PolarHBondContact O-N 2.92Å; S140-T142 VanDerWaalsContact O-N 3.13Å; S140-T142 WeakPolarHBondContact OG-CB 3.46Å; S140-T142 WeakPolarHBondContact OG-CG2 3.45Å; S140-T142 PolarHBondContact OG-N 2.96Å; S140-T142 PolarHBondContact OG-OG1 2.95Å; T142-F144 VanDerWaalsContact C-N 3.28Å; T142-N145 WeakPolarHBondContact CA-O 3.26Å; T142-N145 CarbonylContact O-C 3.32Å; T142-I147 HydrophobicContact CG2-CB 4.46Å; T142-I147 HydrophobicContact CG2-CD1 3.52Å; T142-I147 HydrophobicContact CG2-CG1 3.77Å; T142-Y153 HydrophobicContact CG2-CE1 4.09Å; T142-Y153 WeakPolarHBondContact OG1-CE1 3.34Å
143G98.4Very high98.7Very high14 Ų1433.9 Ų33.914%0.14418%0.184CC..G310 helixtrans-75.8-14.3172.800000114S140 V141S140-G143 PolarHBondContact O-N 3.04Å; V141-G143 PolarHBondContact O-N 3.15Å
144F98.4Very high98.7Very high80 Ų8033.4 Ų33.435%0.35118%0.178SC..THydrogen-bonded Turntrans-93.6-48.5172.6-47-37.4000110.8V141 T142 V161 N182 I235 K237V141-F144 HydrophobicContact CB-CD2 4.38Å; V141-F144 HydrophobicContact CG1-CE2 4.38Å; V141-F144 WeakPolarHBondContact O-CB 3.33Å; V141-F144 PolarHBondContact O-N 3.01Å; T142-F144 VanDerWaalsContact C-N 3.28Å; F144-V161 HydrophobicContact CD1-CG1 4.39Å; F144-V161 HydrophobicContact CD1-CG2 4.43Å; F144-V161 HydrophobicContact CE1-CG1 3.97Å; F144-V161 HydrophobicContact CE1-CG2 3.92Å; F144-N182 HydrophobicContact CE2-CB 3.85Å; F144-N182 HydrophobicContact CZ-CB 3.58Å; F144-N182 VanDerWaalsContact CZ-CG 3.4Å; F144-I235 HydrophobicContact CE1-CG2 3.49Å; F144-I235 VanDerWaalsContact CE1-CG2 3.49Å; F144-I235 HydrophobicContact CZ-CG2 3.42Å; F144-I235 VanDerWaalsContact CZ-CG2 3.42Å; F144-K237 HydrophobicContact CE2-CB 4.44Å
145N98.4Very high98.7Very high134 Ų13434.6 Ų34.672%0.71719%0.194SC*.SBendtrans-139.3117.6178.7-63.899.8000108.3V141 T142V141-N145 PolarHBondContact O-N 2.83Å; T142-N145 WeakPolarHBondContact CA-O 3.26Å; T142-N145 CarbonylContact O-C 3.32Å
146A98.5Very high98.7Very high61 Ų6134.8 Ų34.850%0.50420%0.196SC..  trans-64.4146.7-172.700000112.7Y148A146-Y148 PolarHBondContact O-N 2.85Å
147I98.4Very high98.7Very high26 Ų2635.2 Ų35.213%0.13320%0.197CC..  trans-80.3102.7152.5-63.1166.6000104.6T142 Q149 V150 S154 I185 V204 L208T142-I147 HydrophobicContact CG2-CB 4.46Å; T142-I147 HydrophobicContact CG2-CD1 3.52Å; T142-I147 HydrophobicContact CG2-CG1 3.77Å; I147-Q149 HydrophobicContact CG2-CB 4.43Å; I147-Q149 VanDerWaalsContact CG2-OE1 3.31Å; I147-Q149 PolarHBondContact O-N 3.32Å; I147-Q149 VanDerWaalsContact O-N 3.1Å; I147-V150 HydrophobicContact CB-CG2 3.75Å; I147-V150 HydrophobicContact CG2-CG2 3.75Å; I147-V150 CarbonylContact O-C 3.32Å; I147-V150 PolarHBondContact O-N 3.42Å; I147-S154 PolarHBondContact N-OG 3.28Å; I147-S154 PolarHBondContact O-OG 3.38Å; I147-I185 HydrophobicContact CD1-CD1 4.16Å; I147-V204 HydrophobicContact CG2-CG1 3.9Å; I147-L208 HydrophobicContact CD1-CD1 3.88Å; I147-L208 HydrophobicContact CD1-CD2 4Å; I147-L208 HydrophobicContact CG1-CD2 4.49Å
148Y98.4Very high98.7Very high179 Ų17937.1 Ų37.170%0.70221%0.213SC*.THydrogen-bonded Turntrans-66.4-14.6-16859-96.1000113.8A146 V150 P151A146-Y148 PolarHBondContact O-N 2.85Å; Y148-V150 VanDerWaalsContact C-N 3.34Å; Y148-P151 WeakPolarHBondContact O-CD 3.38Å
149Q98.7Very high98.7Very high23 Ų2337.5 Ų37.511%0.10722%0.219CC..THydrogen-bonded Turntrans-76.2-20.8172.1-58.191.2-30.400113.1I147 P151 S196 W197 V200 E201 V204I147-Q149 HydrophobicContact CG2-CB 4.43Å; I147-Q149 VanDerWaalsContact CG2-OE1 3.31Å; I147-Q149 PolarHBondContact O-N 3.32Å; I147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-P151 WeakPolarHBondContact O-CD 3.44Å; Q149-S196 WeakPolarHBondContact O-CA 3.44Å; Q149-S196 VanDerWaalsContact O-CB 3.27Å; Q149-S196 WeakPolarHBondContact O-CB 3.27Å; Q149-W197 PolarHBondContact O-N 3.33Å; Q149-V200 HydrophobicContact CB-CG2 4.3Å; Q149-E201 HydrophobicContact CB-CB 4.04Å; Q149-E201 HydrophobicContact CG-CB 3.57Å; Q149-E201 HydrophobicContact CG-CG 4.01Å; Q149-V204 HydrophobicContact CB-CG1 4.28Å; Q149-V204 HydrophobicContact CB-CG2 3.64Å; Q149-V204 HydrophobicContact CG-CG2 4.25Å
150V98.7Very high98.7Very high0 Ų037.3 Ų37.30%022%0.218CC..SBendtrans-123.162.7172.6-69.10000110.3L97 D99 I147 Y148 V152 Y153 S154 F194L97-V150 HydrophobicContact CD2-CG1 4.14Å; D99-V150 HydrophobicContact CB-CG1 4.46Å; D99-V150 WeakPolarHBondContact OD2-CA 3.48Å; I147-V150 HydrophobicContact CB-CG2 3.75Å; I147-V150 HydrophobicContact CG2-CG2 3.75Å; I147-V150 CarbonylContact O-C 3.32Å; I147-V150 PolarHBondContact O-N 3.42Å; Y148-V150 VanDerWaalsContact C-N 3.34Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 PolarHBondContact O-N 3Å; V150-Y153 HydrophobicContact CG2-CD1 4.31Å; V150-S154 WeakPolarHBondContact O-CB 3.38Å; V150-S154 PolarHBondContact O-N 3.12Å; V150-S154 PolarHBondContact O-OG 3.28Å; V150-F194 HydrophobicContact CG1-CD2 3.95Å; V150-F194 HydrophobicContact CG1-CE2 3.75Å
151P98.8Very high98.7Very high47 Ų4737.7 Ų37.731%0.30522%0.219SC..Hα-helixtrans-64.8-31.9-17428.9-36.6000113.3D99 Y148 Q149 G155 W197D99-P151 WeakPolarHBondContact OD2-CD 3.38Å; Y148-P151 WeakPolarHBondContact O-CD 3.38Å; Q149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-G155 PolarHBondContact O-N 3.13Å; P151-W197 HydrophobicContact CG-CB 3.71Å; P151-W197 HydrophobicContact CG-CD2 3.96Å; P151-W197 HydrophobicContact CG-CE3 3.98Å; P151-W197 HydrophobicContact CG-CG 3.88Å
152V98.9Very high98.7Very high24 Ų2441.1 Ų41.115%0.14524%0.237CC..Hα-helixtrans-69.7-52.8178.4-176.20000109.4D99 I102 T105 I106 V150 S154 G155 T156D99-V152 WeakPolarHBondContact OD2-CB 3.41Å; D99-V152 PolarHBondContact OD2-N 3.19Å; I102-V152 HydrophobicContact CG1-CG2 4.21Å; I102-V152 HydrophobicContact CG2-CG1 4.04Å; I102-V152 HydrophobicContact CG2-CG2 4.27Å; T105-V152 HydrophobicContact CG2-CG1 3.99Å; I106-V152 HydrophobicContact CD1-CG1 4.38Å; I106-V152 HydrophobicContact CG1-CG1 4.06Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 PolarHBondContact O-N 3Å; V152-S154 VanDerWaalsContact C-N 3.34Å; V152-S154 PolarHBondContact O-N 2.94Å; V152-G155 PolarHBondContact O-N 3.49Å; V152-T156 WeakPolarHBondContact O-CG2 3.48Å; V152-T156 PolarHBondContact O-N 3.3Å
153Y98.8Very high98.7Very high21 Ų2142.6 Ų42.68%0.08224%0.243CC..Hα-helixtrans-51.5-52.4173174.9-97.2000112I96 L97 D99 N109 T142 V150 G155 T156 K157I96-Y153 VanDerWaalsContact O-CD2 3.22Å; I96-Y153 WeakPolarHBondContact O-CD2 3.42Å; I96-Y153 WeakPolarHBondContact O-CE2 3.36Å; L97-Y153 HydrophobicContact CB-CD2 3.83Å; L97-Y153 HydrophobicContact CB-CE2 3.91Å; L97-Y153 HydrophobicContact CB-CG 4.45Å; L97-Y153 HydrophobicContact CD1-CD1 4.04Å; L97-Y153 HydrophobicContact CD1-CD2 4.14Å; L97-Y153 HydrophobicContact CD1-CE1 3.9Å; L97-Y153 HydrophobicContact CD1-CE2 3.99Å; L97-Y153 HydrophobicContact CD1-CG 4.16Å; L97-Y153 HydrophobicContact CG-CD1 4.18Å; L97-Y153 HydrophobicContact CG-CD2 3.68Å; L97-Y153 HydrophobicContact CG-CE1 4.44Å; L97-Y153 HydrophobicContact CG-CE2 3.96Å; L97-Y153 HydrophobicContact CG-CG 3.8Å; D99-Y153 WeakPolarHBondContact OD1-CB 3.42Å; D99-Y153 PolarHBondContact OD1-N 2.93Å; N109-Y153 WeakPolarHBondContact ND2-CD2 3.47Å; T142-Y153 HydrophobicContact CG2-CE1 4.09Å; T142-Y153 WeakPolarHBondContact OG1-CE1 3.34Å; V150-Y153 HydrophobicContact CG2-CD1 4.31Å; Y153-G155 VanDerWaalsContact C-N 3.31Å; Y153-G155 PolarHBondContact O-N 3.06Å; Y153-T156 PolarHBondContact O-N 3.23Å; Y153-T156 VanDerWaalsContact O-N 3.16Å; Y153-T156 PolarHBondContact O-OG1 3.45Å; Y153-K157 HydrophobicContact CD1-CG 4.47Å; Y153-K157 HydrophobicContact CE1-CG 3.98Å; Y153-K157 HydrophobicContact CE2-CG 4.25Å; Y153-K157 PolarHBondContact O-N 3.13Å; Y153-K157 VanDerWaalsContact O-N 3.1Å; Y153-K157 WeakPolarHBondContact OH-CE 3.42Å
154S98.9Very high98.8Very high3 Ų342 Ų422%0.02124%0.236CC..Hα-helixtrans-60.1-41.4-179.6-59.90000111.7I147 V150 V152 T156 K157 A158I147-S154 PolarHBondContact N-OG 3.28Å; I147-S154 PolarHBondContact O-OG 3.38Å; V150-S154 WeakPolarHBondContact O-CB 3.38Å; V150-S154 PolarHBondContact O-N 3.12Å; V150-S154 PolarHBondContact O-OG 3.28Å; V152-S154 VanDerWaalsContact C-N 3.34Å; V152-S154 PolarHBondContact O-N 2.94Å; S154-T156 PolarHBondContact O-N 3.17Å; S154-K157 PolarHBondContact O-N 3.37Å; S154-A158 PolarHBondContact O-N 3.39Å
155G98.9Very high98.8Very high40 Ų4039.6 Ų39.641%0.41223%0.229SC..Hα-helixtrans-59.9-43.7174.600000112.9P151 V152 Y153 K157 A158 A159P151-G155 PolarHBondContact O-N 3.13Å; V152-G155 PolarHBondContact O-N 3.49Å; Y153-G155 VanDerWaalsContact C-N 3.31Å; Y153-G155 PolarHBondContact O-N 3.06Å; G155-K157 VanDerWaalsContact C-N 3.3Å; G155-K157 PolarHBondContact O-N 2.96Å; G155-A158 PolarHBondContact O-N 3.04Å; G155-A159 PolarHBondContact O-N 2.83Å
156T98.9Very high98.8Very high6 Ų635.6 Ų35.64%0.03721%0.212CC..Hα-helixtrans-61.9-38.6175.467.10000112.4T105 I106 N109 V152 Y153 S154 A159 V160T105-T156 HydrophobicContact CG2-CG2 4.02Å; I106-T156 HydrophobicContact CB-CG2 4.43Å; I106-T156 HydrophobicContact CG1-CG2 4.01Å; N109-T156 HydrophobicContact CB-CG2 4.14Å; N109-T156 VanDerWaalsContact CB-OG1 3.28Å; N109-T156 WeakPolarHBondContact CB-OG1 3.24Å; N109-T156 PolarHBondContact ND2-OG1 2.88Å; N109-T156 VanDerWaalsContact ND2-OG1 3.15Å; V152-T156 WeakPolarHBondContact O-CG2 3.48Å; V152-T156 PolarHBondContact O-N 3.3Å; Y153-T156 PolarHBondContact O-N 3.23Å; Y153-T156 VanDerWaalsContact O-N 3.16Å; Y153-T156 PolarHBondContact O-OG1 3.45Å; S154-T156 PolarHBondContact O-N 3.17Å; T156-A159 WeakPolarHBondContact O-CB 3.46Å; T156-A159 PolarHBondContact O-N 3.33Å; T156-V160 WeakPolarHBondContact O-CG2 3.26Å; T156-V160 PolarHBondContact O-N 3.44Å
157K98.8Very high98.8Very high8 Ų833.7 Ų33.74%0.03519%0.193CC..Hα-helixtrans-72.3-35179-66.7-58.1-167.9177.80112.4I138 G139 Y153 S154 G155 A159 V160 V161I138-K157 PolarHBondContact O-NZ 2.89Å; G139-K157 PolarHBondContact O-NZ 2.64Å; Y153-K157 HydrophobicContact CD1-CG 4.47Å; Y153-K157 HydrophobicContact CE1-CG 3.98Å; Y153-K157 HydrophobicContact CE2-CG 4.25Å; Y153-K157 PolarHBondContact O-N 3.13Å; Y153-K157 VanDerWaalsContact O-N 3.1Å; Y153-K157 WeakPolarHBondContact OH-CE 3.42Å; S154-K157 PolarHBondContact O-N 3.37Å; G155-K157 VanDerWaalsContact C-N 3.3Å; G155-K157 PolarHBondContact O-N 2.96Å; K157-A159 VanDerWaalsContact C-N 3.32Å; K157-A159 PolarHBondContact O-N 3.42Å; K157-V160 PolarHBondContact O-N 2.93Å; K157-V161 WeakPolarHBondContact O-CG2 3.31Å; K157-V161 PolarHBondContact O-N 3.36Å; K157-V161 VanDerWaalsContact O-N 3.08Å
158A98.9Very high98.8Very high40 Ų4032.7 Ų32.733%0.33119%0.188SC..Hα-helixtrans-61.9-41.4170.600000111.4S154 G155 V160 V161 N162S154-A158 PolarHBondContact O-N 3.39Å; G155-A158 PolarHBondContact O-N 3.04Å; A158-V160 PolarHBondContact O-N 2.77Å; A158-V161 PolarHBondContact O-N 3.22Å; A158-N162 PolarHBondContact O-N 3.29Å; A158-N162 VanDerWaalsContact O-N 3.07Å
159A98.9Very high98.9Very high27 Ų2732.1 Ų32.122%0.22319%0.189CC..Hα-helixtrans-61.3-43.3175.800000112.1Y110 G155 T156 K157 V161 N162 F163Y110-A159 HydrophobicContact CD1-CB 4.19Å; Y110-A159 HydrophobicContact CD2-CB 3.66Å; Y110-A159 HydrophobicContact CE1-CB 4.22Å; Y110-A159 HydrophobicContact CE2-CB 3.71Å; Y110-A159 HydrophobicContact CG-CB 3.92Å; G155-A159 PolarHBondContact O-N 2.83Å; T156-A159 WeakPolarHBondContact O-CB 3.46Å; T156-A159 PolarHBondContact O-N 3.33Å; K157-A159 VanDerWaalsContact C-N 3.32Å; K157-A159 PolarHBondContact O-N 3.42Å; A159-V161 PolarHBondContact O-N 2.86Å; A159-N162 PolarHBondContact O-N 3.35Å; A159-F163 VanDerWaalsContact O-CB 3.26Å; A159-F163 WeakPolarHBondContact O-CB 3.31Å; A159-F163 PolarHBondContact O-N 3.25Å
160V98.9Very high98.9Very high0 Ų034.7 Ų34.70%020%0.204CC..Hα-helixtrans-61.3-42.6175.3171.70000112.1N109 Y110 L113 N137 T156 K157 A158 N162 F163 T164N109-V160 VanDerWaalsContact O-CG2 3.3Å; N109-V160 WeakPolarHBondContact O-CG2 3.46Å; Y110-V160 HydrophobicContact CD2-CG2 4.26Å; L113-V160 HydrophobicContact CD1-CG1 3.72Å; L113-V160 HydrophobicContact CD1-CG2 3.92Å; N137-V160 HydrophobicContact CB-CG1 4.03Å; T156-V160 WeakPolarHBondContact O-CG2 3.26Å; T156-V160 PolarHBondContact O-N 3.44Å; K157-V160 PolarHBondContact O-N 2.93Å; A158-V160 PolarHBondContact O-N 2.77Å; V160-N162 PolarHBondContact O-N 3.31Å; V160-F163 PolarHBondContact O-N 3.05Å; V160-T164 WeakPolarHBondContact O-CB 3.29Å; V160-T164 PolarHBondContact O-N 3.01Å; V160-T164 PolarHBondContact O-OG1 3.48Å
161V98.9Very high98.9Very high16 Ų1635.2 Ų35.210%0.09721%0.208CC..Hα-helixtrans-59.3-47176.7171.70000111.2F144 K157 A158 A159 S165 N182F144-V161 HydrophobicContact CD1-CG1 4.39Å; F144-V161 HydrophobicContact CD1-CG2 4.43Å; F144-V161 HydrophobicContact CE1-CG1 3.97Å; F144-V161 HydrophobicContact CE1-CG2 3.92Å; K157-V161 WeakPolarHBondContact O-CG2 3.31Å; K157-V161 PolarHBondContact O-N 3.36Å; K157-V161 VanDerWaalsContact O-N 3.08Å; A158-V161 PolarHBondContact O-N 3.22Å; A159-V161 PolarHBondContact O-N 2.86Å; V161-S165 PolarHBondContact O-N 3.07Å; V161-S165 VanDerWaalsContact O-N 3.09Å; V161-S165 PolarHBondContact O-OG 3.39Å; V161-N182 WeakPolarHBondContact CG2-OD1 3.35Å
162N98.9Very high98.9Very high109 Ų10937.6 Ų37.658%0.58322%0.224SC*.Hα-helixtrans-68.6-45-179.7-166.6-67.8000112.3A158 A159 V160 T164 S165 S166A158-N162 PolarHBondContact O-N 3.29Å; A158-N162 VanDerWaalsContact O-N 3.07Å; A159-N162 PolarHBondContact O-N 3.35Å; V160-N162 PolarHBondContact O-N 3.31Å; N162-T164 VanDerWaalsContact C-N 3.32Å; N162-T164 PolarHBondContact O-N 3.22Å; N162-S165 WeakPolarHBondContact O-CB 3.32Å; N162-S165 PolarHBondContact O-N 3.31Å; N162-S166 PolarHBondContact O-N 3.04Å; N162-S166 PolarHBondContact O-OG 3.27Å
163F98.9Very high98.9Very high37 Ų3740.5 Ų40.516%0.16224%0.237CC..Hα-helixtrans-56.2-47.6176.7176.1-111.2000111.3Y110 L113 V114 T117 A159 V160 S165 S166 L167Y110-F163 HydrophobicContact CE2-CB 4.28Å; L113-F163 HydrophobicContact CD2-CD1 3.66Å; L113-F163 HydrophobicContact CD2-CE1 3.72Å; V114-F163 HydrophobicContact CB-CE1 4.5Å; V114-F163 HydrophobicContact CB-CZ 4.25Å; V114-F163 HydrophobicContact CG1-CE2 4.08Å; V114-F163 HydrophobicContact CG1-CZ 4.07Å; V114-F163 HydrophobicContact CG2-CD1 4.06Å; V114-F163 HydrophobicContact CG2-CD2 4.06Å; V114-F163 HydrophobicContact CG2-CE1 3.97Å; V114-F163 HydrophobicContact CG2-CE2 4.01Å; V114-F163 HydrophobicContact CG2-CG 4.09Å; V114-F163 HydrophobicContact CG2-CZ 3.96Å; T117-F163 HydrophobicContact CG2-CE1 3.99Å; T117-F163 HydrophobicContact CG2-CZ 3.87Å; A159-F163 VanDerWaalsContact O-CB 3.26Å; A159-F163 WeakPolarHBondContact O-CB 3.31Å; A159-F163 PolarHBondContact O-N 3.25Å; V160-F163 PolarHBondContact O-N 3.05Å; F163-S165 PolarHBondContact O-N 2.92Å; F163-S166 WeakPolarHBondContact O-CA 3.39Å; F163-S166 WeakPolarHBondContact O-CB 3.35Å; F163-S166 PolarHBondContact O-N 2.97Å; F163-S166 VanDerWaalsContact O-N 3.1Å; F163-L167 HydrophobicContact CD1-CD1 4.04Å; F163-L167 HydrophobicContact CD1-CG 4.41Å; F163-L167 HydrophobicContact CE1-CD1 3.6Å; F163-L167 HydrophobicContact CE1-CD2 4.35Å; F163-L167 HydrophobicContact CE1-CG 4.07Å; F163-L167 HydrophobicContact CE2-CD2 4.28Å; F163-L167 HydrophobicContact CE2-CG 4.48Å; F163-L167 HydrophobicContact CZ-CD1 4.04Å; F163-L167 HydrophobicContact CZ-CD2 3.92Å; F163-L167 HydrophobicContact CZ-CG 4.1Å; F163-L167 PolarHBondContact O-N 2.85Å
164T98.9Very high98.9Very high1 Ų140 Ų401%0.00624%0.237CC..Hα-helixtrans-66.8-37.5-179.6-48.90000112.5N137 V160 N162 S166 L167 A168 A178 Y179 T180N137-T164 HydrophobicContact CB-CG2 4.28Å; N137-T164 WeakPolarHBondContact CB-OG1 3.47Å; N137-T164 PolarHBondContact ND2-OG1 3.48Å; V160-T164 WeakPolarHBondContact O-CB 3.29Å; V160-T164 PolarHBondContact O-N 3.01Å; V160-T164 PolarHBondContact O-OG1 3.48Å; N162-T164 VanDerWaalsContact C-N 3.32Å; N162-T164 PolarHBondContact O-N 3.22Å; T164-S166 PolarHBondContact O-N 3.29Å; T164-L167 WeakPolarHBondContact O-CB 3.1Å; T164-L167 PolarHBondContact O-N 3.08Å; T164-A168 PolarHBondContact O-N 3.49Å; T164-A178 HydrophobicContact CG2-CB 3.89Å; T164-Y179 VanDerWaalsContact CG2-C 3.48Å; T164-Y179 WeakPolarHBondContact CG2-O 3.3Å; T164-T180 HydrophobicContact CG2-CG2 3.35Å; T164-T180 VanDerWaalsContact OG1-CG2 3.27Å; T164-T180 WeakPolarHBondContact OG1-CG2 3.49Å
165S98.8Very high98.9Very high30 Ų3041.2 Ų41.221%0.2125%0.249CC..Hα-helixtrans-61.2-35.3173.4-60.20000111.6V161 N162 F163 K169V161-S165 PolarHBondContact O-N 3.07Å; V161-S165 VanDerWaalsContact O-N 3.09Å; V161-S165 PolarHBondContact O-OG 3.39Å; N162-S165 WeakPolarHBondContact O-CB 3.32Å; N162-S165 PolarHBondContact O-N 3.31Å; F163-S165 PolarHBondContact O-N 2.92Å; S165-K169 WeakPolarHBondContact O-CG 3.45Å; S165-K169 PolarHBondContact O-N 3.33Å
166S98.9Very high98.9Very high50 Ų5039.5 Ų39.535%0.3523%0.231SC..Hα-helixtrans-70-44.1174.4-610000111.8N162 F163 T164 A168 K169 L170N162-S166 PolarHBondContact O-N 3.04Å; N162-S166 PolarHBondContact O-OG 3.27Å; F163-S166 WeakPolarHBondContact O-CA 3.39Å; F163-S166 WeakPolarHBondContact O-CB 3.35Å; F163-S166 PolarHBondContact O-N 2.97Å; F163-S166 VanDerWaalsContact O-N 3.1Å; T164-S166 PolarHBondContact O-N 3.29Å; S166-A168 VanDerWaalsContact C-N 3.31Å; S166-A168 PolarHBondContact O-N 3.2Å; S166-K169 PolarHBondContact O-N 3.48Å; S166-K169 VanDerWaalsContact O-N 3.14Å; S166-L170 WeakPolarHBondContact O-CG 3.38Å; S166-L170 PolarHBondContact O-N 3.1Å; S166-L170 VanDerWaalsContact O-N 3.08Å
167L98.9Very high98.9Very high20 Ų2041 Ų4111%0.10524%0.24CC..Hα-helixtrans-55.1-45.5175-68.2176.8000112.2T117 I135 F163 T164 K169 L170 A171 A178T117-L167 HydrophobicContact CG2-CD1 3.82Å; T117-L167 HydrophobicContact CG2-CD2 3.99Å; I135-L167 HydrophobicContact CD1-CD1 4.42Å; F163-L167 HydrophobicContact CD1-CD1 4.04Å; F163-L167 HydrophobicContact CD1-CG 4.41Å; F163-L167 HydrophobicContact CE1-CD1 3.6Å; F163-L167 HydrophobicContact CE1-CD2 4.35Å; F163-L167 HydrophobicContact CE1-CG 4.07Å; F163-L167 HydrophobicContact CE2-CD2 4.28Å; F163-L167 HydrophobicContact CE2-CG 4.48Å; F163-L167 HydrophobicContact CZ-CD1 4.04Å; F163-L167 HydrophobicContact CZ-CD2 3.92Å; F163-L167 HydrophobicContact CZ-CG 4.1Å; F163-L167 PolarHBondContact O-N 2.85Å; T164-L167 WeakPolarHBondContact O-CB 3.1Å; T164-L167 PolarHBondContact O-N 3.08Å; L167-K169 VanDerWaalsContact C-N 3.27Å; L167-K169 PolarHBondContact O-N 2.95Å; L167-L170 CarbonylContact O-C 3.49Å; L167-L170 WeakPolarHBondContact O-CA 3.16Å; L167-L170 WeakPolarHBondContact O-CB 3.29Å; L167-L170 PolarHBondContact O-N 3.32Å; L167-A171 PolarHBondContact O-N 3.47Å; L167-A171 VanDerWaalsContact O-N 3.14Å; L167-A178 HydrophobicContact CB-CB 3.72Å; L167-A178 HydrophobicContact CD1-CB 4.15Å
168A98.9Very high98.9Very high5 Ų540.7 Ų40.74%0.04124%0.238CC..Hα-helixtrans-59.9-37.8179.600000112.9T164 S166 L170 A171 N232T164-A168 PolarHBondContact O-N 3.49Å; S166-A168 VanDerWaalsContact C-N 3.31Å; S166-A168 PolarHBondContact O-N 3.2Å; A168-L170 VanDerWaalsContact C-N 3.29Å; A168-A171 VanDerWaalsContact O-CB 3.26Å; A168-A171 WeakPolarHBondContact O-CB 3.47Å; A168-A171 PolarHBondContact O-N 3.01Å; A168-N232 WeakPolarHBondContact CA-OD1 3.35Å; A168-N232 WeakPolarHBondContact CB-OD1 3.43Å; A168-N232 PolarHBondContact O-ND2 3.24Å
169K98.9Very high98.9Very high167 Ų16738.8 Ų38.873%0.72622%0.223SC*.Hα-helixtrans-71.3-24.6174.9-67.3173.9-178.3178.10112.6S165 S166 L167 A171 P172S165-K169 WeakPolarHBondContact O-CG 3.45Å; S165-K169 PolarHBondContact O-N 3.33Å; S166-K169 PolarHBondContact O-N 3.48Å; S166-K169 VanDerWaalsContact O-N 3.14Å; L167-K169 VanDerWaalsContact C-N 3.27Å; L167-K169 PolarHBondContact O-N 2.95Å; K169-A171 VanDerWaalsContact C-N 3.34Å; K169-P172 WeakPolarHBondContact O-CD 3.38Å
170L98.9Very high98.9Very high78 Ų7837.6 Ų37.641%0.40821%0.213SC..Hα-helixtrans-83.5-7.6175-65.7172.6000113.1S166 L167 A168 P172 I173 T174S166-L170 WeakPolarHBondContact O-CG 3.38Å; S166-L170 PolarHBondContact O-N 3.1Å; S166-L170 VanDerWaalsContact O-N 3.08Å; L167-L170 CarbonylContact O-C 3.49Å; L167-L170 WeakPolarHBondContact O-CA 3.16Å; L167-L170 WeakPolarHBondContact O-CB 3.29Å; L167-L170 PolarHBondContact O-N 3.32Å; A168-L170 VanDerWaalsContact C-N 3.29Å; L170-P172 VanDerWaalsContact C-CD 3.44Å; L170-P172 VanDerWaalsContact C-N 3.33Å; L170-I173 HydrophobicContact CD2-CD1 4Å; L170-I173 WeakPolarHBondContact O-CA 3.38Å; L170-I173 WeakPolarHBondContact O-CB 3.37Å; L170-I173 PolarHBondContact O-N 3.36Å; L170-T174 HydrophobicContact CB-CG2 4.43Å; L170-T174 PolarHBondContact O-N 3.46Å; L170-T174 PolarHBondContact O-OG1 3.02Å
171A98.8Very high98.9Very high11 Ų1137.6 Ų37.69%0.09121%0.213CC..Hα-helixtrans-53-39.8179.500000114.1L167 A168 K169 I173 G175 V176 T177L167-A171 PolarHBondContact O-N 3.47Å; L167-A171 VanDerWaalsContact O-N 3.14Å; A168-A171 VanDerWaalsContact O-CB 3.26Å; A168-A171 WeakPolarHBondContact O-CB 3.47Å; A168-A171 PolarHBondContact O-N 3.01Å; K169-A171 VanDerWaalsContact C-N 3.34Å; A171-I173 PolarHBondContact O-N 2.9Å; A171-I173 VanDerWaalsContact O-N 3.15Å; A171-G175 VanDerWaalsContact O-CA 3.31Å; A171-G175 WeakPolarHBondContact O-CA 3.47Å; A171-G175 PolarHBondContact O-N 3.1Å; A171-V176 WeakPolarHBondContact CA-O 3.42Å; A171-V176 VanDerWaalsContact CB-O 3.24Å; A171-V176 WeakPolarHBondContact CB-O 3.26Å; A171-T177 HydrophobicContact CB-CG2 4.13Å
172P98.8Very high98.9Very high97 Ų9736.8 Ų36.863%0.6321%0.208SC*.Hα-helixtrans-63.8-16.2173.6-22.635.4000114.3K126 K169 L170K126-P172 WeakPolarHBondContact CE-O 3.45Å; K126-P172 PolarHBondContact NZ-O 3.08Å; K169-P172 WeakPolarHBondContact O-CD 3.38Å; L170-P172 VanDerWaalsContact C-CD 3.44Å; L170-P172 VanDerWaalsContact C-N 3.33Å
173I98.8Very high98.8Very high85 Ų8532 Ų3244%0.43618%0.183SC..Hα-helixtrans-98.3-45.2179.1-60.7174.2000110.9K126 R127 L170 A171K126-I173 WeakPolarHBondContact CE-O 3.22Å; K126-I173 WeakPolarHBondContact CG-O 3.5Å; R127-I173 WeakPolarHBondContact CG-O 3.31Å; L170-I173 HydrophobicContact CD2-CD1 4Å; L170-I173 WeakPolarHBondContact O-CA 3.38Å; L170-I173 WeakPolarHBondContact O-CB 3.37Å; L170-I173 PolarHBondContact O-N 3.36Å; A171-I173 PolarHBondContact O-N 2.9Å; A171-I173 VanDerWaalsContact O-N 3.15Å
174T98.8Very high98.8Very high11 Ų1131.2 Ų31.27%0.06719%0.185CC..Hα-helixtrans-95.2-20-173.360.20000113.8L121 K126 L170 V176L121-T174 HydrophobicContact CD1-CG2 4.22Å; K126-T174 PolarHBondContact N-O 3.21Å; L170-T174 HydrophobicContact CB-CG2 4.43Å; L170-T174 PolarHBondContact O-N 3.46Å; L170-T174 PolarHBondContact O-OG1 3.02Å; T174-V176 PolarHBondContact O-N 3.39Å; T174-V176 PolarHBondContact OG1-N 3.34Å; T174-V176 VanDerWaalsContact OG1-N 3.14Å
175G98.8Very high98.7Very high27 Ų2733.1 Ų33.128%0.27820%0.195SC..SBendtrans74.74-168.700000113.7G132 G133 A171G132-G175 WeakPolarHBondContact CA-O 3.49Å; G133-G175 PolarHBondContact N-O 3.03Å; A171-G175 VanDerWaalsContact O-CA 3.31Å; A171-G175 WeakPolarHBondContact O-CA 3.47Å; A171-G175 PolarHBondContact O-N 3.1Å
176V98.9Very high98.7Very high5 Ų531.9 Ų31.93%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-105.1118-178.9-1800000109.8L121 W124 G133 I135 A171 T174L121-V176 HydrophobicContact CD2-CB 4.03Å; L121-V176 HydrophobicContact CD2-CG1 4.23Å; L121-V176 HydrophobicContact CD2-CG2 3.52Å; W124-V176 HydrophobicContact CB-CG2 3.72Å; W124-V176 HydrophobicContact CE3-CG1 4.15Å; W124-V176 HydrophobicContact CE3-CG2 4.19Å; W124-V176 HydrophobicContact CZ3-CG1 4.46Å; G133-V176 WeakPolarHBondContact O-CA 3.33Å; I135-V176 HydrophobicContact CD1-CG1 3.72Å; I135-V176 HydrophobicContact CG1-CG1 3.81Å; A171-V176 WeakPolarHBondContact CA-O 3.42Å; A171-V176 VanDerWaalsContact CB-O 3.24Å; A171-V176 WeakPolarHBondContact CB-O 3.26Å; T174-V176 PolarHBondContact O-N 3.39Å; T174-V176 PolarHBondContact OG1-N 3.34Å; T174-V176 VanDerWaalsContact OG1-N 3.14Å
177T98.9Very high98.5Very high38 Ų3835.1 Ų35.123%0.23319%0.191CC..EExtended strand (participates in β ladder)trans-87.8153.4174.858.20000110.4G133 I135 A171 N232G133-T177 PolarHBondContact O-N 3.06Å; G133-T177 PolarHBondContact O-OG1 3.26Å; I135-T177 PolarHBondContact N-O 2.82Å; A171-T177 HydrophobicContact CB-CG2 4.13Å; T177-N232 VanDerWaalsContact CA-OD1 3.28Å; T177-N232 WeakPolarHBondContact CA-OD1 3.39Å; T177-N232 VanDerWaalsContact CB-OD1 3.31Å; T177-N232 WeakPolarHBondContact CB-OD1 3.14Å; T177-N232 HydrophobicContact CG2-CB 3.93Å
178A98.9Very high98.2Very high0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans-147.7151.6178.100000112.6I135 T164 L167 N232 G233I135-A178 HydrophobicContact CB-CB 4.06Å; I135-A178 WeakPolarHBondContact O-CA 3.37Å; T164-A178 HydrophobicContact CG2-CB 3.89Å; L167-A178 HydrophobicContact CB-CB 3.72Å; L167-A178 HydrophobicContact CD1-CB 4.15Å; A178-N232 PolarHBondContact N-OD1 3.28Å; A178-N232 PolarHBondContact O-OD1 3.11Å; A178-G233 PolarHBondContact O-N 3.19Å
179Y98.9Very high97.7Very high1 Ų139.9 Ų39.90%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-148.8161.9169.548.3-96.8000110.3I134 I135 C136 N137 T164 V181 I227 A234I134-Y179 HydrophobicContact CG2-CE1 3.68Å; I135-Y179 PolarHBondContact O-N 3.25Å; I135-Y179 VanDerWaalsContact O-N 3.09Å; C136-Y179 HydrophobicContact CB-CD2 4.34Å; C136-Y179 HydrophobicContact CB-CE2 3.68Å; N137-Y179 PolarHBondContact N-O 3.31Å; N137-Y179 VanDerWaalsContact N-O 3.1Å; T164-Y179 VanDerWaalsContact CG2-C 3.48Å; T164-Y179 WeakPolarHBondContact CG2-O 3.3Å; Y179-V181 HydrophobicContact CD2-CG2 4.49Å; Y179-I227 WeakPolarHBondContact OH-CA 3.45Å; Y179-A234 WeakPolarHBondContact CA-O 3.27Å; Y179-A234 VanDerWaalsContact CB-O 3.25Å; Y179-A234 WeakPolarHBondContact CB-O 3.37Å
180T98.9Very high97Very high1 Ų135.1 Ų35.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-107142176.555.90000111.6N137 T164 N182 A234 W236N137-T180 HydrophobicContact CB-CG2 4.45Å; N137-T180 WeakPolarHBondContact O-CA 3.35Å; T164-T180 HydrophobicContact CG2-CG2 3.35Å; T164-T180 VanDerWaalsContact OG1-CG2 3.27Å; T164-T180 WeakPolarHBondContact OG1-CG2 3.49Å; T180-N182 WeakPolarHBondContact CB-ND2 3.41Å; T180-N182 PolarHBondContact OG1-ND2 3.15Å; T180-A234 PolarHBondContact N-O 3.44Å; T180-W236 WeakPolarHBondContact O-CB 3.38Å; T180-W236 PolarHBondContact O-N 3.31Å
181V98.8Very high96.3Very high0 Ų032.1 Ų32.10%019%0.187CC..EExtended strand (participates in β ladder)trans-111.2124.1166.8176.90000107.6N137 I138 G139 Y179 P183 F223 A226 W236 L238N137-V181 PolarHBondContact O-N 2.8Å; I138-V181 CarbonylContact C-O 3.59Å; G139-V181 PolarHBondContact N-O 2.86Å; Y179-V181 HydrophobicContact CD2-CG2 4.49Å; V181-P183 WeakPolarHBondContact O-CD 3.44Å; V181-F223 HydrophobicContact CB-CD2 4.25Å; V181-F223 HydrophobicContact CB-CE2 3.9Å; V181-F223 HydrophobicContact CB-CZ 4.08Å; V181-F223 HydrophobicContact CG1-CD2 3.55Å; V181-F223 HydrophobicContact CG1-CE2 3.66Å; V181-F223 HydrophobicContact CG1-CG 4.06Å; V181-F223 HydrophobicContact CG1-CZ 4.28Å; V181-F223 HydrophobicContact CG2-CD1 4.43Å; V181-F223 HydrophobicContact CG2-CE1 4.18Å; V181-F223 HydrophobicContact CG2-CE2 4.37Å; V181-F223 HydrophobicContact CG2-CZ 4.16Å; V181-A226 HydrophobicContact CG2-CB 4.13Å; V181-W236 HydrophobicContact CG2-CB 4.47Å; V181-L238 HydrophobicContact CG1-CD1 3.2Å; V181-L238 HydrophobicContact CG1-CD2 4.36Å; V181-L238 HydrophobicContact CG1-CG 3.61Å
182N98.8Very high95.5Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-125.685.5-168.8-54-82.1000109.3G139 S140 F144 V161 T180 W236 L238G139-N182 WeakPolarHBondContact CA-OD1 3.29Å; S140-N182 PolarHBondContact N-OD1 3.31Å; F144-N182 HydrophobicContact CE2-CB 3.85Å; F144-N182 HydrophobicContact CZ-CB 3.58Å; F144-N182 VanDerWaalsContact CZ-CG 3.4Å; V161-N182 WeakPolarHBondContact CG2-OD1 3.35Å; T180-N182 WeakPolarHBondContact CB-ND2 3.41Å; T180-N182 PolarHBondContact OG1-ND2 3.15Å; N182-W236 WeakPolarHBondContact CA-O 3.17Å; N182-W236 VanDerWaalsContact CB-O 3.27Å; N182-W236 WeakPolarHBondContact CB-O 3.26Å; N182-W236 PolarHBondContact N-O 3.39Å; N182-W236 PolarHBondContact ND2-O 2.72Å; N182-L238 PolarHBondContact O-N 3.23Å; N182-L238 VanDerWaalsContact O-N 3.08Å
183P98.6Very high94.9Very high8 Ų838.1 Ų38.15%0.05221%0.213CC..  trans-63.2141.4178.1-23.435.3000112.4I19 I138 V141 V181I19-P183 HydrophobicContact CD1-CB 3.74Å; I19-P183 HydrophobicContact CD1-CG 3.75Å; I138-P183 HydrophobicContact CG2-CG 4.49Å; V141-P183 PolarHBondContact N-O 2.9Å; V181-P183 WeakPolarHBondContact O-CD 3.44Å
184G98.1Very high94.7Very high21 Ų2135 Ų3522%0.21620%0.197CC..  trans-69.4-171.2159.200000112.8T186 L238G184-T186 PolarHBondContact O-N 2.99Å; G184-T186 PolarHBondContact O-OG1 3.15Å; G184-L238 PolarHBondContact N-O 3.48Å
185I97.5Very high94.7Very high41 Ų4137.4 Ų37.421%0.2121%0.209CC..SBendtrans-61.9114176.7-51.2-51.3000109.5I147 L208 T213 Q214I147-I185 HydrophobicContact CD1-CD1 4.16Å; I185-L208 HydrophobicContact CD1-CD1 4.15Å; I185-L208 HydrophobicContact CD1-CD2 4.11Å; I185-L208 HydrophobicContact CG1-CD2 4.31Å; I185-L208 HydrophobicContact CG2-CB 4.44Å; I185-T213 HydrophobicContact CB-CG2 3.83Å; I185-T213 HydrophobicContact CG2-CG2 3.47Å; I185-T213 VanDerWaalsContact CG2-CG2 3.47Å; I185-T213 WeakPolarHBondContact O-CB 3.43Å; I185-Q214 PolarHBondContact O-N 3.37Å; I185-Q214 VanDerWaalsContact O-N 3.09Å
186T97.4Very high94.7Very high4 Ų436.1 Ų36.13%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-121.4126.8-174.3-55.40000109.4I19 G184 T188 V191 Q214 S216 C219I19-T186 HydrophobicContact CD1-CG2 4.1Å; I19-T186 HydrophobicContact CG1-CG2 3.93Å; G184-T186 PolarHBondContact O-N 2.99Å; G184-T186 PolarHBondContact O-OG1 3.15Å; T186-T188 HydrophobicContact CG2-CG2 4.13Å; T186-T188 PolarHBondContact O-N 3.44Å; T186-T188 PolarHBondContact O-OG1 3.49Å; T186-V191 VanDerWaalsContact O-CG2 3.22Å; T186-V191 WeakPolarHBondContact O-CG2 3.3Å; T186-Q214 WeakPolarHBondContact CA-O 3.21Å; T186-Q214 HydrophobicContact CG2-CG 4.11Å; T186-Q214 WeakPolarHBondContact OG1-CG 3.31Å; T186-S216 VanDerWaalsContact CG2-CA 3.49Å; T186-C219 HydrophobicContact CG2-CB 4Å
187R94.6Very high94.6Very high117 Ų11740.7 Ų40.744%0.44221%0.213SC..EExtended strand (participates in β ladder)trans-66.795.4-176.2-65.2-177.2-67.7-96.15.9110.5L209 T213 Q214R187-L209 HydrophobicContact CG-CD2 4.3Å; R187-T213 PolarHBondContact NH1-O 3.16Å; R187-T213 PolarHBondContact NH1-OG1 2.95Å; R187-Q214 PolarHBondContact N-O 3.17Å
188T93.1Very high94.6Very high16 Ų1644.6 Ų44.610%0.09823%0.232CC..SBendtrans-142.1168.117863.30000109.1I19 T186 L190 V191 H192I19-T188 HydrophobicContact CG1-CG2 4.01Å; T186-T188 HydrophobicContact CG2-CG2 4.13Å; T186-T188 PolarHBondContact O-N 3.44Å; T186-T188 PolarHBondContact O-OG1 3.49Å; T188-L190 PolarHBondContact O-N 3.41Å; T188-L190 VanDerWaalsContact O-N 3.13Å; T188-V191 VanDerWaalsContact O-CG2 3.32Å; T188-V191 WeakPolarHBondContact O-CG2 3.47Å; T188-V191 PolarHBondContact O-N 3.02Å; T188-V191 VanDerWaalsContact O-N 3.17Å; T188-H192 PolarHBondContact O-CD2 3.18Å; T188-H192 PolarHBondContact O-NE2 2.75Å
189T87.8Confident94.6Very high109 Ų10949.1 Ų49.167%0.66926%0.256SS*.G310 helixtrans-57.1-28.9177.549.20000113.7V191 H192T189-V191 PolarHBondContact O-N 3.48Å; T189-H192 PolarHBondContact O-N 2.83Å
190L85.6Confident94.6Very high67 Ų6753 Ų5335%0.35128%0.28SS..G310 helixtrans-59.6-30.7180-172.268000113.1L97 T188L97-L190 HydrophobicContact CB-CD1 3.76Å; L97-L190 HydrophobicContact CB-CD2 4.49Å; L97-L190 HydrophobicContact CB-CG 4.07Å; T188-L190 PolarHBondContact O-N 3.41Å; T188-L190 VanDerWaalsContact O-N 3.13Å
191V82.7Confident94.5Very high16 Ų1654.6 Ų54.610%0.09729%0.287CS..G310 helixtrans-106.310.6-175.4-61.20000113.3T186 T188 T189 A205T186-V191 VanDerWaalsContact O-CG2 3.22Å; T186-V191 WeakPolarHBondContact O-CG2 3.3Å; T188-V191 VanDerWaalsContact O-CG2 3.32Å; T188-V191 WeakPolarHBondContact O-CG2 3.47Å; T188-V191 PolarHBondContact O-N 3.02Å; T188-V191 VanDerWaalsContact O-N 3.17Å; T189-V191 PolarHBondContact O-N 3.48Å; V191-A205 WeakPolarHBondContact O-CB 3.33Å
192H82.6Confident94.3Very high108 Ų10859.3 Ų59.350%0.532%0.317SS..THydrogen-bonded Turntrans-75.2-46.6179.2-76.1-166.9000112.3T188 T189 A205T188-H192 PolarHBondContact O-CD2 3.18Å; T188-H192 PolarHBondContact O-NE2 2.75Å; T189-H192 PolarHBondContact O-N 2.83Å; H192-A205 WeakPolarHBondContact O-CB 3.31Å
193T87.1Confident94.2Very high125 Ų12563.9 Ų63.977%0.76734%0.339SS*.SBendtrans-155.1133.5176.647.40000108.6
194F94.4Very high94.1Very high20 Ų2063.6 Ų63.69%0.08834%0.337CS..  trans-158160.417955.2-100.6000111.4L97 V150 V204 A205 L208L97-F194 HydrophobicContact CD2-CB 3.42Å; L97-F194 VanDerWaalsContact CD2-CB 3.42Å; L97-F194 HydrophobicContact CD2-CD1 3.8Å; L97-F194 HydrophobicContact CD2-CD2 3.14Å; L97-F194 HydrophobicContact CD2-CE1 4.3Å; L97-F194 HydrophobicContact CD2-CE2 3.68Å; L97-F194 HydrophobicContact CD2-CG 3.18Å; L97-F194 HydrophobicContact CD2-CZ 4.24Å; V150-F194 HydrophobicContact CG1-CD2 3.95Å; V150-F194 HydrophobicContact CG1-CE2 3.75Å; F194-V204 HydrophobicContact CD2-CB 4.4Å; F194-V204 HydrophobicContact CE2-CB 3.39Å; F194-V204 HydrophobicContact CE2-CG1 3.63Å; F194-V204 HydrophobicContact CE2-CG2 3.9Å; F194-V204 HydrophobicContact CZ-CB 3.57Å; F194-V204 HydrophobicContact CZ-CG1 3.6Å; F194-A205 HydrophobicContact CD1-CB 3.95Å; F194-A205 HydrophobicContact CE1-CB 3.62Å; F194-A205 HydrophobicContact CZ-CB 4.29Å; F194-L208 HydrophobicContact CE1-CD1 4.36Å; F194-L208 HydrophobicContact CZ-CD1 3.83Å
195N97.9Very high94Very high61 Ų6163 Ų6333%0.32633%0.33SS..PPolyproline II helixtrans-88.5126.9-176-58.2-38.6000111.3D98 D99 H100D98-N195 WeakPolarHBondContact OD1-CB 3.45Å; D98-N195 PolarHBondContact OD1-ND2 3.49Å; D98-N195 PolarHBondContact OD2-ND2 3.24Å; D99-N195 PolarHBondContact N-O 2.82Å; H100-N195 HydrophobicContact CB-CB 4.31Å; H100-N195 PolarHBondContact ND1-ND2 2.67Å
196S98.4Very high94Very high0 Ų067 Ų670%035%0.348CS..PPolyproline II helixtrans-76.1153.7167.163.70000111.2H100 Q149 L198 D199 V200 E201H100-S196 PolarHBondContact CD2-O 3.42Å; H100-S196 PolarHBondContact NE2-O 2.92Å; Q149-S196 WeakPolarHBondContact O-CA 3.44Å; Q149-S196 VanDerWaalsContact O-CB 3.27Å; Q149-S196 WeakPolarHBondContact O-CB 3.27Å; S196-L198 PolarHBondContact O-N 2.82Å; S196-D199 PolarHBondContact O-N 2.77Å; S196-D199 VanDerWaalsContact OG-CA 3.27Å; S196-D199 WeakPolarHBondContact OG-CA 3.44Å; S196-V200 PolarHBondContact OG-N 3.12Å; S196-E201 VanDerWaalsContact CB-O 3.29Å; S196-E201 WeakPolarHBondContact CB-O 3.16Å; S196-E201 PolarHBondContact OG-N 3.15Å; S196-E201 VanDerWaalsContact OG-N 3.11Å; S196-E201 PolarHBondContact OG-O 3.31Å; S196-E201 VanDerWaalsContact OG-O 3.1Å
197W98.6Very high93.9Very high101 Ų10171.3 Ų71.338%0.38337%0.366SS..G310 helixtrans-61.4125.8176.2179.265.8000111D99 Q149 P151 D199 V200D99-W197 HydrophobicContact CB-CB 3.89Å; Q149-W197 PolarHBondContact O-N 3.33Å; P151-W197 HydrophobicContact CG-CB 3.71Å; P151-W197 HydrophobicContact CG-CD2 3.96Å; P151-W197 HydrophobicContact CG-CE3 3.98Å; P151-W197 HydrophobicContact CG-CG 3.88Å; W197-D199 PolarHBondContact O-N 2.85Å; W197-D199 VanDerWaalsContact O-N 3.11Å; W197-V200 VanDerWaalsContact O-CG1 3.26Å; W197-V200 WeakPolarHBondContact O-CG1 3.22Å; W197-V200 VanDerWaalsContact O-CG2 3.28Å; W197-V200 WeakPolarHBondContact O-CG2 3.21Å; W197-V200 PolarHBondContact O-N 2.98Å
198L98.3Very high94Very high121 Ų12167.4 Ų67.463%0.63435%0.354SS*.G310 helixtrans53.327.7-177.3-54.9178.1000114.3S196 V200S196-L198 PolarHBondContact O-N 2.82Å; L198-V200 HydrophobicContact CB-CG1 4.33Å; L198-V200 PolarHBondContact O-N 3.22Å; L198-V200 VanDerWaalsContact O-N 3.08Å
199D98.3Very high94.1Very high94 Ų9469.9 Ų69.950%0.50337%0.366SS..G310 helixtrans55.226.6-179.1-59.2-40000114.4H100 S196 W197 E201H100-D199 IonicContact CD2-OD1 3.81Å; H100-D199 IonicContact CE1-OD1 3.98Å; H100-D199 PolarHBondContact CE1-OD1 2.93Å; H100-D199 VanDerWaalsContact CE1-OD1 3.23Å; H100-D199 IonicContact NE2-OD1 3.23Å; H100-D199 PolarHBondContact NE2-OD1 3.11Å; H100-D199 IonicContact NE2-OD2 2.64Å; S196-D199 PolarHBondContact O-N 2.77Å; S196-D199 VanDerWaalsContact OG-CA 3.27Å; S196-D199 WeakPolarHBondContact OG-CA 3.44Å; W197-D199 PolarHBondContact O-N 2.85Å; W197-D199 VanDerWaalsContact O-N 3.11Å; D199-E201 PolarHBondContact O-N 3.19Å
200V98.4Very high94.5Very high84 Ų8468.6 Ų68.651%0.50937%0.367SS..SBendtrans-60.3-21.3-179.2-650000113.2Q149 S196 W197 L198Q149-V200 HydrophobicContact CB-CG2 4.3Å; S196-V200 PolarHBondContact OG-N 3.12Å; W197-V200 VanDerWaalsContact O-CG1 3.26Å; W197-V200 WeakPolarHBondContact O-CG1 3.22Å; W197-V200 VanDerWaalsContact O-CG2 3.28Å; W197-V200 WeakPolarHBondContact O-CG2 3.21Å; W197-V200 PolarHBondContact O-N 2.98Å; L198-V200 HydrophobicContact CB-CG1 4.33Å; L198-V200 PolarHBondContact O-N 3.22Å; L198-V200 VanDerWaalsContact O-N 3.08Å
201E97.9Very high95Very high33 Ų3371.6 Ų71.615%0.15438%0.379CS..  trans-15694.7174.4177.859.3-116.200110.5Q149 S196 D199 Q203 V204 K207Q149-E201 HydrophobicContact CB-CB 4.04Å; Q149-E201 HydrophobicContact CG-CB 3.57Å; Q149-E201 HydrophobicContact CG-CG 4.01Å; S196-E201 VanDerWaalsContact CB-O 3.29Å; S196-E201 WeakPolarHBondContact CB-O 3.16Å; S196-E201 PolarHBondContact OG-N 3.15Å; S196-E201 VanDerWaalsContact OG-N 3.11Å; S196-E201 PolarHBondContact OG-O 3.31Å; S196-E201 VanDerWaalsContact OG-O 3.1Å; D199-E201 PolarHBondContact O-N 3.19Å; E201-Q203 PolarHBondContact O-N 3.45Å; E201-Q203 PolarHBondContact OE1-N 2.97Å; E201-V204 HydrophobicContact CB-CG2 3.9Å; E201-V204 HydrophobicContact CG-CB 4.42Å; E201-V204 HydrophobicContact CG-CG2 3.72Å; E201-V204 WeakPolarHBondContact O-CG2 3.28Å; E201-K207 HydrophobicContact CG-CD 4.35Å; E201-K207 WeakPolarHBondContact OE1-CE 3.49Å; E201-K207 IonicContact OE1-NZ 3.5Å; E201-K207 PolarHBondContact OE1-NZ 3.19Å; E201-K207 IonicContact OE2-NZ 2.61Å; E201-K207 PolarHBondContact OE2-NZ 3.32Å
202P95.2Very high95.8Very high99 Ų9977.3 Ų77.364%0.64342%0.416SS*.THydrogen-bonded Turntrans-66.7-17.4-179.3-23.635.4000114.3
203Q96.7Very high96.5Very high96 Ų9673.9 Ų73.945%0.44940%0.403SS..THydrogen-bonded Turntrans-106.626.3-174.9-59.7179.8-72.600113.2E201 A205 E206 K207E201-Q203 PolarHBondContact O-N 3.45Å; E201-Q203 PolarHBondContact OE1-N 2.97Å; Q203-A205 VanDerWaalsContact C-N 3.27Å; Q203-A205 PolarHBondContact O-N 2.81Å; Q203-E206 HydrophobicContact CB-CB 4.36Å; Q203-E206 PolarHBondContact NE2-OE2 3.24Å; Q203-E206 PolarHBondContact O-N 3.12Å; Q203-K207 WeakPolarHBondContact O-CG 3.36Å; Q203-K207 PolarHBondContact O-N 3.07Å
204V96.4Very high97Very high3 Ų369.3 Ų69.32%0.01837%0.373CS..Hα-helixtrans-55-44.2-178.8-164.80000111.5I147 Q149 F194 E201 K207 L208I147-V204 HydrophobicContact CG2-CG1 3.9Å; Q149-V204 HydrophobicContact CB-CG1 4.28Å; Q149-V204 HydrophobicContact CB-CG2 3.64Å; Q149-V204 HydrophobicContact CG-CG2 4.25Å; F194-V204 HydrophobicContact CD2-CB 4.4Å; F194-V204 HydrophobicContact CE2-CB 3.39Å; F194-V204 HydrophobicContact CE2-CG1 3.63Å; F194-V204 HydrophobicContact CE2-CG2 3.9Å; F194-V204 HydrophobicContact CZ-CB 3.57Å; F194-V204 HydrophobicContact CZ-CG1 3.6Å; E201-V204 HydrophobicContact CB-CG2 3.9Å; E201-V204 HydrophobicContact CG-CB 4.42Å; E201-V204 HydrophobicContact CG-CG2 3.72Å; E201-V204 WeakPolarHBondContact O-CG2 3.28Å; V204-K207 PolarHBondContact O-N 3.33Å; V204-L208 HydrophobicContact CG1-CD1 3.96Å; V204-L208 HydrophobicContact CG1-CG 4.2Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 3.27Å; V204-L208 PolarHBondContact O-N 3.01Å
205A95.8Very high97.2Very high8 Ų871 Ų717%0.06639%0.386CS..Hα-helixtrans-58.7-49.6-179.300000112.2V191 H192 F194 Q203 K207 L208 L209V191-A205 WeakPolarHBondContact O-CB 3.33Å; H192-A205 WeakPolarHBondContact O-CB 3.31Å; F194-A205 HydrophobicContact CD1-CB 3.95Å; F194-A205 HydrophobicContact CE1-CB 3.62Å; F194-A205 HydrophobicContact CZ-CB 4.29Å; Q203-A205 VanDerWaalsContact C-N 3.27Å; Q203-A205 PolarHBondContact O-N 2.81Å; A205-K207 PolarHBondContact O-N 3.35Å; A205-L208 PolarHBondContact O-N 3.5Å; A205-L209 WeakPolarHBondContact O-CB 3.35Å; A205-L209 VanDerWaalsContact O-CG 3.3Å; A205-L209 WeakPolarHBondContact O-CG 3.13Å; A205-L209 PolarHBondContact O-N 2.91Å
206E96.3Very high97.1Very high126 Ų12669.4 Ų69.459%0.58938%0.379SS*.Hα-helixtrans-58.6-47.7177.1-175-173.9158.600111Q203 L208 L209 A210Q203-E206 HydrophobicContact CB-CB 4.36Å; Q203-E206 PolarHBondContact NE2-OE2 3.24Å; Q203-E206 PolarHBondContact O-N 3.12Å; E206-L208 PolarHBondContact O-N 2.62Å; E206-L209 PolarHBondContact O-N 3.31Å; E206-A210 PolarHBondContact O-N 2.93Å
207K96.4Very high97Very high94 Ų9473.2 Ų73.241%0.40940%0.399SS..Hα-helixtrans-63.2-41.1-179.8-69.7179.6178.9-179.80112.3E201 Q203 V204 A205 A210 H211E201-K207 HydrophobicContact CG-CD 4.35Å; E201-K207 WeakPolarHBondContact OE1-CE 3.49Å; E201-K207 IonicContact OE1-NZ 3.5Å; E201-K207 PolarHBondContact OE1-NZ 3.19Å; E201-K207 IonicContact OE2-NZ 2.61Å; E201-K207 PolarHBondContact OE2-NZ 3.32Å; Q203-K207 WeakPolarHBondContact O-CG 3.36Å; Q203-K207 PolarHBondContact O-N 3.07Å; V204-K207 PolarHBondContact O-N 3.33Å; A205-K207 PolarHBondContact O-N 3.35Å; K207-A210 PolarHBondContact O-N 3.1Å; K207-H211 PolarHBondContact O-CD2 2.98Å
208L95.7Very high97Very high35 Ų3569.7 Ų69.718%0.18339%0.391CS..Hα-helixtrans-64.8-41.2175.5-70.9172000112.2I147 I185 F194 V204 A205 E206 A210 H211I147-L208 HydrophobicContact CD1-CD1 3.88Å; I147-L208 HydrophobicContact CD1-CD2 4Å; I147-L208 HydrophobicContact CG1-CD2 4.49Å; I185-L208 HydrophobicContact CD1-CD1 4.15Å; I185-L208 HydrophobicContact CD1-CD2 4.11Å; I185-L208 HydrophobicContact CG1-CD2 4.31Å; I185-L208 HydrophobicContact CG2-CB 4.44Å; F194-L208 HydrophobicContact CE1-CD1 4.36Å; F194-L208 HydrophobicContact CZ-CD1 3.83Å; V204-L208 HydrophobicContact CG1-CD1 3.96Å; V204-L208 HydrophobicContact CG1-CG 4.2Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 3.27Å; V204-L208 PolarHBondContact O-N 3.01Å; A205-L208 PolarHBondContact O-N 3.5Å; E206-L208 PolarHBondContact O-N 2.62Å; L208-A210 PolarHBondContact O-N 2.95Å; L208-H211 PolarHBondContact O-N 3.3Å
209L95.4Very high97Very high67 Ų6763.9 Ų63.935%0.35136%0.361SS..Hα-helixtrans-73.8-14.8-178.7-68.8173.4000113.4R187 A205 E206 H211 T213R187-L209 HydrophobicContact CG-CD2 4.3Å; A205-L209 WeakPolarHBondContact O-CB 3.35Å; A205-L209 VanDerWaalsContact O-CG 3.3Å; A205-L209 WeakPolarHBondContact O-CG 3.13Å; A205-L209 PolarHBondContact O-N 2.91Å; E206-L209 PolarHBondContact O-N 3.31Å; L209-H211 PolarHBondContact O-N 3.42Å; L209-T213 HydrophobicContact CD2-CG2 4.27Å
210A96.6Very high97Very high83 Ų8359.4 Ų59.469%0.68634%0.337SS*.THydrogen-bonded Turntrans-73.3-9171.100000113.7E206 K207 L208E206-A210 PolarHBondContact O-N 2.93Å; K207-A210 PolarHBondContact O-N 3.1Å; L208-A210 PolarHBondContact O-N 2.95Å
211H96.8Very high97Very high130 Ų13059.9 Ų59.960%0.60233%0.334SS*.SBendtrans-106.5167177-64.3-66.3000111.7K207 L208 L209 T213K207-H211 PolarHBondContact O-CD2 2.98Å; L208-H211 PolarHBondContact O-N 3.3Å; L209-H211 PolarHBondContact O-N 3.42Å; H211-T213 WeakPolarHBondContact O-CG2 3.38Å; H211-T213 PolarHBondContact O-N 3.49Å
212P97.9Very high97Very high135 Ų13561.6 Ų61.688%0.87734%0.344SS*.  trans-55.6127175.9-27.336.3000112.7
213T97.8Very high97.2Very high37 Ų3756.9 Ų56.923%0.22731%0.313CS..  trans-130.9164.6179.957.30000110.9I185 R187 L209 H211I185-T213 HydrophobicContact CB-CG2 3.83Å; I185-T213 HydrophobicContact CG2-CG2 3.47Å; I185-T213 VanDerWaalsContact CG2-CG2 3.47Å; I185-T213 WeakPolarHBondContact O-CB 3.43Å; R187-T213 PolarHBondContact NH1-O 3.16Å; R187-T213 PolarHBondContact NH1-OG1 2.95Å; L209-T213 HydrophobicContact CD2-CG2 4.27Å; H211-T213 WeakPolarHBondContact O-CG2 3.38Å; H211-T213 PolarHBondContact O-N 3.49Å
214Q98.1Very high97.2Very high28 Ų2852.3 Ų52.313%0.13129%0.292CS..EExtended strand (participates in β ladder)trans-106.7152.3176.770.8179.6-55.700112.8I185 T186 R187 C219 L238I185-Q214 PolarHBondContact O-N 3.37Å; I185-Q214 VanDerWaalsContact O-N 3.09Å; T186-Q214 WeakPolarHBondContact CA-O 3.21Å; T186-Q214 HydrophobicContact CG2-CG 4.11Å; T186-Q214 WeakPolarHBondContact OG1-CG 3.31Å; R187-Q214 PolarHBondContact N-O 3.17Å; Q214-C219 HydrophobicContact CG-CB 4.47Å; Q214-L238 PolarHBondContact NE2-O 3.36Å; Q214-L238 VanDerWaalsContact NE2-O 3.09Å; Q214-L238 PolarHBondContact NE2-OXT 3.17Å
215P97.5Very high97.3Very high56 Ų5657.9 Ų57.936%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-72.9152.5167.530.8-31.2000110.7L217 A218 C219P215-L217 VanDerWaalsContact C-N 3.29Å; P215-L217 PolarHBondContact O-N 2.68Å; P215-A218 HydrophobicContact CG-CB 3.72Å; P215-A218 PolarHBondContact O-N 3.19Å; P215-C219 PolarHBondContact O-N 2.91Å
216S96.6Very high97.4Very high27 Ų2757.7 Ų57.719%0.18931%0.314CS..Hα-helixtrans-59.9-35.4178.351.40000113.5D22 T186 C219 A220D22-S216 WeakPolarHBondContact OD2-CB 3.41Å; D22-S216 PolarHBondContact OD2-OG 3.37Å; T186-S216 VanDerWaalsContact CG2-CA 3.49Å; S216-C219 WeakPolarHBondContact O-CB 3.4Å; S216-C219 PolarHBondContact O-N 3.09Å; S216-A220 WeakPolarHBondContact O-CB 3.44Å; S216-A220 PolarHBondContact O-N 2.86Å
217L96.3Very high97.5Very high81 Ų8151.7 Ų51.742%0.42429%0.287SS..Hα-helixtrans-60.5-46174.8-178.861.6000112.7E26 P215 C219 A220 E221E26-L217 HydrophobicContact CG-CD1 4.44Å; E26-L217 WeakPolarHBondContact OE1-CD1 3.32Å; P215-L217 VanDerWaalsContact C-N 3.29Å; P215-L217 PolarHBondContact O-N 2.68Å; L217-C219 VanDerWaalsContact C-N 3.3Å; L217-C219 PolarHBondContact O-N 2.98Å; L217-A220 WeakPolarHBondContact O-CB 3.5Å; L217-A220 PolarHBondContact O-N 3.17Å; L217-A220 VanDerWaalsContact O-N 3.11Å; L217-E221 HydrophobicContact CD1-CG 4.42Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 3.1Å
218A98.1Very high97.6Very high26 Ų2650.2 Ų50.222%0.21528%0.281CS..Hα-helixtrans-64.6-37.5178.400000111.5P215 N222P215-A218 HydrophobicContact CG-CB 3.72Å; P215-A218 PolarHBondContact O-N 3.19Å; A218-N222 PolarHBondContact O-N 3.48Å; A218-N222 PolarHBondContact O-ND2 3.3Å
219C98.4Very high97.7Very high0 Ų052.4 Ų52.40%029%0.292CS..Hα-helixtrans-62.1-44.5172.2-176.20000110.9T186 Q214 P215 S216 L217 N222 F223T186-C219 HydrophobicContact CG2-CB 4Å; Q214-C219 HydrophobicContact CG-CB 4.47Å; P215-C219 PolarHBondContact O-N 2.91Å; S216-C219 WeakPolarHBondContact O-CB 3.4Å; S216-C219 PolarHBondContact O-N 3.09Å; L217-C219 VanDerWaalsContact C-N 3.3Å; L217-C219 PolarHBondContact O-N 2.98Å; C219-N222 PolarHBondContact O-N 3.04Å; C219-F223 VanDerWaalsContact O-CB 3.32Å; C219-F223 WeakPolarHBondContact O-CB 3.16Å; C219-F223 PolarHBondContact O-N 3.36Å
220A98.3Very high97.8Very high0 Ų051.5 Ų51.50%029%0.288CS..Hα-helixtrans-64.3-43-179.400000113.1D22 E26 S216 L217 N222 F223 V224D22-A220 VanDerWaalsContact C-CB 3.42Å; D22-A220 HydrophobicContact CB-CB 3.71Å; E26-A220 HydrophobicContact CB-CB 4.46Å; E26-A220 HydrophobicContact CG-CB 3.77Å; S216-A220 WeakPolarHBondContact O-CB 3.44Å; S216-A220 PolarHBondContact O-N 2.86Å; L217-A220 WeakPolarHBondContact O-CB 3.5Å; L217-A220 PolarHBondContact O-N 3.17Å; L217-A220 VanDerWaalsContact O-N 3.11Å; A220-N222 VanDerWaalsContact C-N 3.35Å; A220-N222 PolarHBondContact O-N 3.48Å; A220-F223 WeakPolarHBondContact O-CB 3.4Å; A220-F223 PolarHBondContact O-N 3.42Å; A220-V224 PolarHBondContact O-N 3.07Å
221E98.3Very high97.9Very high93 Ų9352.1 Ų52.144%0.43528%0.277SS..Hα-helixtrans-60-46.3176.1-71.7174.715500111.1E26 L217 F223 V224 K225E26-E221 HydrophobicContact CG-CG 4.28Å; L217-E221 HydrophobicContact CD1-CG 4.42Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 3.1Å; E221-F223 VanDerWaalsContact C-N 3.33Å; E221-V224 PolarHBondContact O-N 3.48Å; E221-K225 WeakPolarHBondContact O-CB 3.43Å; E221-K225 PolarHBondContact O-N 3.04Å
222N98.5Very high97.9Very high69 Ų6949.4 Ų49.437%0.36927%0.267SS..Hα-helixtrans-68.3-32.5176.2-73.3-45.4000112.5A218 C219 A220 K225 A226 L238A218-N222 PolarHBondContact O-N 3.48Å; A218-N222 PolarHBondContact O-ND2 3.3Å; C219-N222 PolarHBondContact O-N 3.04Å; A220-N222 VanDerWaalsContact C-N 3.35Å; A220-N222 PolarHBondContact O-N 3.48Å; N222-K225 PolarHBondContact O-N 2.89Å; N222-A226 WeakPolarHBondContact O-CB 3.01Å; N222-A226 PolarHBondContact O-N 3.29Å; N222-L238 HydrophobicContact CB-CD1 4.13Å; N222-L238 HydrophobicContact CB-CD2 4.02Å; N222-L238 HydrophobicContact CB-CG 4.47Å
223F98.6Very high98Very high0 Ų044.6 Ų44.60%024%0.242CC..Hα-helixtrans-60.6-53.1173.8-161.7-56.5000110.3I19 T23 I91 C136 I138 V181 C219 A220 E221 K225 A226 I227 L238I19-F223 HydrophobicContact CG2-CD2 4.43Å; T23-F223 HydrophobicContact CG2-CB 4.07Å; T23-F223 HydrophobicContact CG2-CD1 3.72Å; T23-F223 HydrophobicContact CG2-CD2 4.25Å; T23-F223 HydrophobicContact CG2-CE1 4.25Å; T23-F223 HydrophobicContact CG2-CG 3.75Å; I91-F223 HydrophobicContact CG2-CE1 4.23Å; I91-F223 HydrophobicContact CG2-CZ 3.89Å; C136-F223 WeakPolarHBondContact SG-CE1 3.49Å; C136-F223 VanDerWaalsContact SG-CZ 3.57Å; I138-F223 HydrophobicContact CD1-CE2 3.48Å; I138-F223 VanDerWaalsContact CD1-CE2 3.48Å; I138-F223 HydrophobicContact CD1-CZ 3.75Å; I138-F223 HydrophobicContact CG1-CE2 3.58Å; I138-F223 HydrophobicContact CG1-CZ 3.64Å; V181-F223 HydrophobicContact CB-CD2 4.25Å; V181-F223 HydrophobicContact CB-CE2 3.9Å; V181-F223 HydrophobicContact CB-CZ 4.08Å; V181-F223 HydrophobicContact CG1-CD2 3.55Å; V181-F223 HydrophobicContact CG1-CE2 3.66Å; V181-F223 HydrophobicContact CG1-CG 4.06Å; V181-F223 HydrophobicContact CG1-CZ 4.28Å; V181-F223 HydrophobicContact CG2-CD1 4.43Å; V181-F223 HydrophobicContact CG2-CE1 4.18Å; V181-F223 HydrophobicContact CG2-CE2 4.37Å; V181-F223 HydrophobicContact CG2-CZ 4.16Å; C219-F223 VanDerWaalsContact O-CB 3.32Å; C219-F223 WeakPolarHBondContact O-CB 3.16Å; C219-F223 PolarHBondContact O-N 3.36Å; A220-F223 WeakPolarHBondContact O-CB 3.4Å; A220-F223 PolarHBondContact O-N 3.42Å; E221-F223 VanDerWaalsContact C-N 3.33Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 3.24Å; F223-A226 WeakPolarHBondContact O-CB 3.4Å; F223-A226 PolarHBondContact O-N 2.84Å; F223-I227 HydrophobicContact CD1-CD1 3.72Å; F223-I227 HydrophobicContact CD1-CG1 3.99Å; F223-I227 HydrophobicContact CE1-CD1 3.75Å; F223-I227 HydrophobicContact CE1-CG1 4.02Å; F223-I227 PolarHBondContact O-N 2.88Å; F223-L238 HydrophobicContact CB-CD1 3.99Å; F223-L238 HydrophobicContact CD2-CD1 4.41Å
224V98.4Very high98Very high0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-65.9-36.1-178.8-178.40000111.2L5 T23 E26 L27 R30 A220 E221 A226 I227 E228L5-V224 HydrophobicContact CD1-CG1 3.72Å; T23-V224 HydrophobicContact CG2-CG2 4.2Å; E26-V224 HydrophobicContact CB-CB 4.48Å; E26-V224 HydrophobicContact CB-CG2 3.59Å; L27-V224 HydrophobicContact CD2-CG1 4.21Å; L27-V224 HydrophobicContact CD2-CG2 3.97Å; L27-V224 HydrophobicContact CG-CG2 3.94Å; R30-V224 VanDerWaalsContact NE-CG1 3.29Å; A220-V224 PolarHBondContact O-N 3.07Å; E221-V224 PolarHBondContact O-N 3.48Å; V224-A226 VanDerWaalsContact C-N 3.31Å; V224-A226 PolarHBondContact O-N 2.76Å; V224-I227 WeakPolarHBondContact O-CB 3.29Å; V224-I227 PolarHBondContact O-N 3.15Å; V224-I227 VanDerWaalsContact O-N 3.12Å; V224-E228 HydrophobicContact CG1-CG 4.44Å; V224-E228 WeakPolarHBondContact O-CG 3.37Å; V224-E228 PolarHBondContact O-N 3.37Å
225K98.1Very high98.1Very high120 Ų12046.2 Ų46.252%0.52225%0.251SS..Hα-helixtrans-58.7-41.7170.8-174.7177.3-179.4178.80112.3E221 N222 F223 I227 E228 L229E221-K225 WeakPolarHBondContact O-CB 3.43Å; E221-K225 PolarHBondContact O-N 3.04Å; N222-K225 PolarHBondContact O-N 2.89Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 3.24Å; K225-I227 VanDerWaalsContact C-N 3.3Å; K225-I227 PolarHBondContact O-N 2.83Å; K225-E228 PolarHBondContact O-N 2.87Å; K225-L229 VanDerWaalsContact O-CG 3.32Å; K225-L229 WeakPolarHBondContact O-CG 3.34Å; K225-L229 PolarHBondContact O-N 2.72Å
226A98.1Very high98.1Very high4 Ų446.2 Ų46.23%0.03324%0.244CC..Hα-helixtrans-62.8-37.4175.400000112.1V181 N222 F223 V224 L229 N230 W236V181-A226 HydrophobicContact CG2-CB 4.13Å; N222-A226 WeakPolarHBondContact O-CB 3.01Å; N222-A226 PolarHBondContact O-N 3.29Å; F223-A226 WeakPolarHBondContact O-CB 3.4Å; F223-A226 PolarHBondContact O-N 2.84Å; V224-A226 VanDerWaalsContact C-N 3.31Å; V224-A226 PolarHBondContact O-N 2.76Å; A226-L229 PolarHBondContact O-N 3.02Å; A226-N230 PolarHBondContact O-N 2.78Å; A226-W236 HydrophobicContact CB-CB 4.39Å; A226-W236 HydrophobicContact CB-CD2 4.14Å; A226-W236 HydrophobicContact CB-CG 3.85Å
227I98Very high98.2Very high1 Ų152.1 Ų52.11%0.00527%0.266CS..Hα-helixtrans-63.5-47.1173.5-62.3170.2000111.1F3 L5 L27 I91 Y179 F223 V224 K225 L229 N230F3-I227 WeakPolarHBondContact CD1-O 3.31Å; F3-I227 HydrophobicContact CE1-CG2 4.02Å; L5-I227 HydrophobicContact CD1-CG2 4.15Å; L5-I227 HydrophobicContact CD2-CG2 3.89Å; L5-I227 HydrophobicContact CG-CG2 4.27Å; L27-I227 HydrophobicContact CD2-CD1 3.93Å; I91-I227 HydrophobicContact CD1-CD1 3.88Å; Y179-I227 WeakPolarHBondContact OH-CA 3.45Å; F223-I227 HydrophobicContact CD1-CD1 3.72Å; F223-I227 HydrophobicContact CD1-CG1 3.99Å; F223-I227 HydrophobicContact CE1-CD1 3.75Å; F223-I227 HydrophobicContact CE1-CG1 4.02Å; F223-I227 PolarHBondContact O-N 2.88Å; V224-I227 WeakPolarHBondContact O-CB 3.29Å; V224-I227 PolarHBondContact O-N 3.15Å; V224-I227 VanDerWaalsContact O-N 3.12Å; K225-I227 VanDerWaalsContact C-N 3.3Å; K225-I227 PolarHBondContact O-N 2.83Å; I227-L229 VanDerWaalsContact C-N 3.29Å; I227-L229 PolarHBondContact O-N 3.13Å; I227-N230 WeakPolarHBondContact O-CA 3.39Å; I227-N230 WeakPolarHBondContact O-CB 3.45Å; I227-N230 PolarHBondContact O-N 3.06Å; I227-N230 VanDerWaalsContact O-N 3.07Å
228E97.4Very high98.1Very high63 Ų6350.2 Ų50.229%0.29426%0.256SS..Hα-helixtrans-64.1-31.7-179.8-70.8168.9167.500112.6L5 R30 V224 K225 N230L5-E228 HydrophobicContact CD1-CG 4.03Å; L5-E228 HydrophobicContact CG-CG 4.49Å; R30-E228 WeakPolarHBondContact CG-OE1 3.36Å; R30-E228 IonicContact CZ-OE1 2.97Å; R30-E228 IonicContact NE-OE1 2.64Å; R30-E228 PolarHBondContact NE-OE1 3.47Å; R30-E228 IonicContact NH2-OE1 3.16Å; V224-E228 HydrophobicContact CG1-CG 4.44Å; V224-E228 WeakPolarHBondContact O-CG 3.37Å; V224-E228 PolarHBondContact O-N 3.37Å; K225-E228 PolarHBondContact O-N 2.87Å; E228-N230 VanDerWaalsContact C-N 3.3Å; E228-N230 PolarHBondContact O-N 3.11Å
229L97.8Very high98.1Very high80 Ų8051.4 Ų51.442%0.41926%0.258SS..Hα-helixtrans-67.2-30.4173-72.7171.9000112.7K225 A226 I227 Q231 W236K225-L229 VanDerWaalsContact O-CG 3.32Å; K225-L229 WeakPolarHBondContact O-CG 3.34Å; K225-L229 PolarHBondContact O-N 2.72Å; A226-L229 PolarHBondContact O-N 3.02Å; I227-L229 VanDerWaalsContact C-N 3.29Å; I227-L229 PolarHBondContact O-N 3.13Å; L229-Q231 HydrophobicContact CB-CG 4.36Å; L229-Q231 WeakPolarHBondContact O-CG 3.27Å; L229-Q231 PolarHBondContact O-N 2.97Å; L229-W236 HydrophobicContact CB-CH2 4.41Å; L229-W236 HydrophobicContact CB-CZ2 4.04Å; L229-W236 HydrophobicContact CD1-CH2 3.51Å; L229-W236 HydrophobicContact CD1-CZ2 3.88Å; L229-W236 HydrophobicContact CD1-CZ3 4.02Å
230N97.5Very high98.1Very high49 Ų4954.1 Ų54.126%0.26227%0.272SS..  trans43.952.9174-169.532.8000114.6F3 A226 I227 E228F3-N230 HydrophobicContact CB-CB 3.43Å; F3-N230 VanDerWaalsContact CB-CB 3.43Å; F3-N230 HydrophobicContact CD1-CB 4.03Å; F3-N230 HydrophobicContact CD2-CB 4.49Å; F3-N230 HydrophobicContact CG-CB 3.76Å; A226-N230 PolarHBondContact O-N 2.78Å; I227-N230 WeakPolarHBondContact O-CA 3.39Å; I227-N230 WeakPolarHBondContact O-CB 3.45Å; I227-N230 PolarHBondContact O-N 3.06Å; I227-N230 VanDerWaalsContact O-N 3.07Å; E228-N230 VanDerWaalsContact C-N 3.3Å; E228-N230 PolarHBondContact O-N 3.11Å
231Q98.4Very high98.1Very high96 Ų9657.1 Ų57.145%0.44929%0.287SS..  trans-96.6105.9-178.3-63.9-176.33.400110.6L229 G233 A234 W236L229-Q231 HydrophobicContact CB-CG 4.36Å; L229-Q231 WeakPolarHBondContact O-CG 3.27Å; L229-Q231 PolarHBondContact O-N 2.97Å; Q231-G233 PolarHBondContact O-N 3.08Å; Q231-A234 HydrophobicContact CB-CB 3.82Å; Q231-A234 WeakPolarHBondContact O-CB 3.28Å; Q231-A234 PolarHBondContact O-N 3.29Å; Q231-A234 VanDerWaalsContact O-N 3.08Å; Q231-W236 HydrophobicContact CB-CZ2 4.03Å; Q231-W236 HydrophobicContact CG-CZ2 4.06Å
232N98.8Very high98.1Very high72 Ų7255 Ų5539%0.38528%0.279SS..THydrogen-bonded Turntrans-56.2131.2175.7-176.452.1000111.1A168 T177 A178 A234A168-N232 WeakPolarHBondContact CA-OD1 3.35Å; A168-N232 WeakPolarHBondContact CB-OD1 3.43Å; A168-N232 PolarHBondContact O-ND2 3.24Å; T177-N232 VanDerWaalsContact CA-OD1 3.28Å; T177-N232 WeakPolarHBondContact CA-OD1 3.39Å; T177-N232 VanDerWaalsContact CB-OD1 3.31Å; T177-N232 WeakPolarHBondContact CB-OD1 3.14Å; T177-N232 HydrophobicContact CG2-CB 3.93Å; A178-N232 PolarHBondContact N-OD1 3.28Å; A178-N232 PolarHBondContact O-OD1 3.11Å; N232-A234 VanDerWaalsContact C-N 3.26Å; N232-A234 PolarHBondContact O-N 3.49Å
233G98.6Very high98Very high35 Ų3554.1 Ų54.136%0.36127%0.273SS..THydrogen-bonded Turntrans80.20.9-17900000114.9A178 Q231A178-G233 PolarHBondContact O-N 3.19Å; Q231-G233 PolarHBondContact O-N 3.08Å
234A98.8Very high98Very high16 Ų1657.7 Ų57.713%0.13229%0.291CS..  trans-65.2145.4177.400000112.1Y179 T180 Q231 N232 W236Y179-A234 WeakPolarHBondContact CA-O 3.27Å; Y179-A234 VanDerWaalsContact CB-O 3.25Å; Y179-A234 WeakPolarHBondContact CB-O 3.37Å; T180-A234 PolarHBondContact N-O 3.44Å; Q231-A234 HydrophobicContact CB-CB 3.82Å; Q231-A234 WeakPolarHBondContact O-CB 3.28Å; Q231-A234 PolarHBondContact O-N 3.29Å; Q231-A234 VanDerWaalsContact O-N 3.08Å; N232-A234 VanDerWaalsContact C-N 3.26Å; N232-A234 PolarHBondContact O-N 3.49Å; A234-W236 HydrophobicContact CB-CD2 4.25Å; A234-W236 HydrophobicContact CB-CG 4.5Å; A234-W236 HydrophobicContact CB-CZ2 3.77Å; A234-W236 VanDerWaalsContact CB-NE1 3.32Å
235I98.8Very high98Very high82 Ų8261.9 Ų61.942%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-120.589.8174.7-57.6177.5000106.4F144F144-I235 HydrophobicContact CE1-CG2 3.49Å; F144-I235 VanDerWaalsContact CE1-CG2 3.49Å; F144-I235 HydrophobicContact CZ-CG2 3.42Å; F144-I235 VanDerWaalsContact CZ-CG2 3.42Å
236W98.7Very high98Very high56 Ų5657.4 Ų57.421%0.21230%0.296CS..EExtended strand (participates in β ladder)trans-82.5122.3-176.1-60108.1000110T180 V181 N182 A226 L229 Q231 A234 L238T180-W236 WeakPolarHBondContact O-CB 3.38Å; T180-W236 PolarHBondContact O-N 3.31Å; V181-W236 HydrophobicContact CG2-CB 4.47Å; N182-W236 WeakPolarHBondContact CA-O 3.17Å; N182-W236 VanDerWaalsContact CB-O 3.27Å; N182-W236 WeakPolarHBondContact CB-O 3.26Å; N182-W236 PolarHBondContact N-O 3.39Å; N182-W236 PolarHBondContact ND2-O 2.72Å; A226-W236 HydrophobicContact CB-CB 4.39Å; A226-W236 HydrophobicContact CB-CD2 4.14Å; A226-W236 HydrophobicContact CB-CG 3.85Å; L229-W236 HydrophobicContact CB-CH2 4.41Å; L229-W236 HydrophobicContact CB-CZ2 4.04Å; L229-W236 HydrophobicContact CD1-CH2 3.51Å; L229-W236 HydrophobicContact CD1-CZ2 3.88Å; L229-W236 HydrophobicContact CD1-CZ3 4.02Å; Q231-W236 HydrophobicContact CB-CZ2 4.03Å; Q231-W236 HydrophobicContact CG-CZ2 4.06Å; A234-W236 HydrophobicContact CB-CD2 4.25Å; A234-W236 HydrophobicContact CB-CG 4.5Å; A234-W236 HydrophobicContact CB-CZ2 3.77Å; A234-W236 VanDerWaalsContact CB-NE1 3.32Å; W236-L238 HydrophobicContact CB-CD2 4.12Å
237K98.4Very high97.9Very high151 Ų15161.8 Ų61.866%0.65732%0.318SS*.EExtended strand (participates in β ladder)trans-94.1120.7166-177.2176.873.570.70108.2V141 F144V141-K237 HydrophobicContact CG1-CD 4.22Å; V141-K237 HydrophobicContact CG1-CG 3.85Å; F144-K237 HydrophobicContact CE2-CB 4.44Å
238L94.3Very high97.9Very high41 Ų4167.4 Ų67.422%0.21535%0.346CS..  trans-105.10176.3-47.9-168.5000111.2V181 N182 G184 Q214 N222 F223 W236V181-L238 HydrophobicContact CG1-CD1 3.2Å; V181-L238 HydrophobicContact CG1-CD2 4.36Å; V181-L238 HydrophobicContact CG1-CG 3.61Å; N182-L238 PolarHBondContact O-N 3.23Å; N182-L238 VanDerWaalsContact O-N 3.08Å; G184-L238 PolarHBondContact N-O 3.48Å; Q214-L238 PolarHBondContact NE2-O 3.36Å; Q214-L238 VanDerWaalsContact NE2-O 3.09Å; Q214-L238 PolarHBondContact NE2-OXT 3.17Å; N222-L238 HydrophobicContact CB-CD1 4.13Å; N222-L238 HydrophobicContact CB-CD2 4.02Å; N222-L238 HydrophobicContact CB-CG 4.47Å; F223-L238 HydrophobicContact CB-CD1 3.99Å; F223-L238 HydrophobicContact CD2-CD1 4.41Å; W236-L238 HydrophobicContact CB-CD2 4.12Å

Retrieved 238 of 238 residues in 198.6 ms (Link to these results)

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