A0A5K4EIR5_SCHMA Loading...

AIRS_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EIR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M93.1Very high97.7Very high140 Ų14025.9 Ų25.969%0.6913%0.132SC*.  0-69.80-70-52.2-71.800112.4R3 I4 T5 L46M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 2.75Å; M1-R3 VanDerWaalsContact O-N 3.17Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.28Å; M1-T5 PolarHBondContact O-N 2.95Å; M1-T5 PolarHBondContact O-OG1 2.96Å; M1-L46 HydrophobicContact CB-CD2 3.5Å; M1-L46 VanDerWaalsContact CB-CD2 3.5Å
2G97.2Very high97.7Very high3 Ų332.5 Ų32.53%0.03117%0.168CC..Hα-helixtrans-46.1-49.9-177.700000115.5T5 C6 L46 F50G2-T5 WeakPolarHBondContact O-CB 3.38Å; G2-T5 PolarHBondContact O-N 3.09Å; G2-C6 PolarHBondContact O-N 2.74Å; G2-L46 VanDerWaalsContact CA-O 3.31Å; G2-L46 WeakPolarHBondContact CA-O 3.48Å; G2-F50 WeakPolarHBondContact O-CA 3.49Å; G2-F50 WeakPolarHBondContact O-CD2 3.33Å
3R97.6Very high97.8Very high35 Ų3532.1 Ų32.113%0.13217%0.166CC..Hα-helixtrans-61.2-47.8176.3175.4167-95.2-89.16.1113.4M1 T5 C6 C7 G49 C53 E56 T149M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 2.75Å; M1-R3 VanDerWaalsContact O-N 3.17Å; R3-T5 VanDerWaalsContact C-N 3.28Å; R3-T5 PolarHBondContact O-N 2.67Å; R3-C6 PolarHBondContact O-N 3.01Å; R3-C7 PolarHBondContact O-N 2.92Å; R3-C7 PolarHBondContact O-SG 3.43Å; R3-C7 VanDerWaalsContact O-SG 3.38Å; R3-G49 WeakPolarHBondContact CA-O 3.49Å; R3-G49 WeakPolarHBondContact CB-O 3.24Å; R3-G49 VanDerWaalsContact N-C 3.35Å; R3-G49 PolarHBondContact N-O 3.17Å; R3-C53 HydrophobicContact CB-CB 4.31Å; R3-C53 HydrophobicContact CG-CB 3.94Å; R3-E56 IonicContact CZ-OE2 3.52Å; R3-E56 IonicContact NH1-OE1 2.65Å; R3-E56 IonicContact NH1-OE2 2.81Å; R3-E56 PolarHBondContact NH1-OE2 3.47Å; R3-E56 IonicContact NH2-OE2 3.72Å; R3-E56 PolarHBondContact NH2-OE2 3.29Å; R3-T149 HydrophobicContact CB-CG2 4.35Å; R3-T149 HydrophobicContact CG-CG2 3.85Å; R3-T149 PolarHBondContact NH1-O 3.38Å
4I98.2Very high97.9Very high14 Ų1429.9 Ų29.97%0.07215%0.154CC..Hα-helixtrans-57.3-44.2176.4-63.5174.7000110.1M1 C6 C7 N8 T145 M148 T149 T225M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.28Å; I4-C6 PolarHBondContact O-N 2.76Å; I4-C7 PolarHBondContact O-N 3.49Å; I4-N8 WeakPolarHBondContact O-CB 3.41Å; I4-N8 PolarHBondContact O-N 2.94Å; I4-T145 HydrophobicContact CD1-CG2 4.5Å; I4-M148 HydrophobicContact CB-CB 4.5Å; I4-M148 HydrophobicContact CD1-CB 3.85Å; I4-M148 HydrophobicContact CD1-CE 4.06Å; I4-M148 HydrophobicContact CD1-SD 4.26Å; I4-M148 HydrophobicContact CG1-CB 3.84Å; I4-M148 HydrophobicContact CG2-CB 3.96Å; I4-M148 HydrophobicContact CG2-SD 4.35Å; I4-T149 HydrophobicContact CD1-CG2 4.32Å; I4-T149 HydrophobicContact CG1-CG2 3.56Å; I4-T225 HydrophobicContact CG2-CG2 3.97Å
5T98.2Very high97.9Very high17 Ų1728.5 Ų28.510%0.10415%0.149CC..Hα-helixtrans-62-44.2177.9-54.50000111.7M1 G2 R3 N8 V9 F50 I74M1-T5 PolarHBondContact O-N 2.95Å; M1-T5 PolarHBondContact O-OG1 2.96Å; G2-T5 WeakPolarHBondContact O-CB 3.38Å; G2-T5 PolarHBondContact O-N 3.09Å; R3-T5 VanDerWaalsContact C-N 3.28Å; R3-T5 PolarHBondContact O-N 2.67Å; T5-N8 PolarHBondContact O-N 3.16Å; T5-V9 HydrophobicContact CG2-CG2 4.29Å; T5-V9 WeakPolarHBondContact O-CB 3.44Å; T5-V9 WeakPolarHBondContact O-CG2 3.22Å; T5-V9 PolarHBondContact O-N 3.38Å; T5-F50 HydrophobicContact CG2-CD2 4.19Å; T5-F50 HydrophobicContact CG2-CE2 3.98Å; T5-I74 HydrophobicContact CG2-CB 4.37Å; T5-I74 HydrophobicContact CG2-CD1 4.48Å; T5-I74 HydrophobicContact CG2-CG1 3.81Å; T5-I74 HydrophobicContact CG2-CG2 4.14Å; T5-I74 VanDerWaalsContact OG1-CG2 3.3Å; T5-I74 WeakPolarHBondContact OG1-CG2 3.48Å
6C98.3Very high98Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-64.2-42.7176.6-174.70000112.1G2 R3 I4 N8 V9 L10 F50 C53G2-C6 PolarHBondContact O-N 2.74Å; R3-C6 PolarHBondContact O-N 3.01Å; I4-C6 PolarHBondContact O-N 2.76Å; C6-N8 VanDerWaalsContact C-N 3.31Å; C6-N8 PolarHBondContact O-N 2.74Å; C6-V9 PolarHBondContact O-N 2.98Å; C6-L10 WeakPolarHBondContact O-CB 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.39Å; C6-L10 PolarHBondContact O-N 3Å; C6-F50 HydrophobicContact CB-CB 4.49Å; C6-F50 HydrophobicContact CB-CD1 4.14Å; C6-F50 HydrophobicContact CB-CD2 3.59Å; C6-F50 HydrophobicContact CB-CE1 4.27Å; C6-F50 HydrophobicContact CB-CE2 3.72Å; C6-F50 HydrophobicContact CB-CG 3.81Å; C6-F50 HydrophobicContact CB-CZ 4.07Å; C6-C53 HydrophobicContact CB-CB 3.59Å
7C98.5Very high98Very high1 Ų128.8 Ų28.81%0.00715%0.15CC..Hα-helixtrans-56.4-46.8173.8-690000111.4R3 I4 L10 S11 C53 T149 S226R3-C7 PolarHBondContact O-N 2.92Å; R3-C7 PolarHBondContact O-SG 3.43Å; R3-C7 VanDerWaalsContact O-SG 3.38Å; I4-C7 PolarHBondContact O-N 3.49Å; C7-L10 PolarHBondContact O-N 3.43Å; C7-S11 WeakPolarHBondContact O-CB 3.3Å; C7-S11 PolarHBondContact O-N 3.45Å; C7-C53 PolarHBondContact SG-SG 3.21Å; C7-T149 PolarHBondContact SG-O 3.42Å; C7-T149 VanDerWaalsContact SG-O 3.32Å; C7-S226 VanDerWaalsContact CB-OG 3.28Å; C7-S226 WeakPolarHBondContact CB-OG 3.47Å
8N98.4Very high98Very high56 Ų5627.8 Ų27.830%0.29915%0.145SC..Hα-helixtrans-64.8-44.3179-167.191.6000112.2I4 T5 C6 L10 S11 S226I4-N8 WeakPolarHBondContact O-CB 3.41Å; I4-N8 PolarHBondContact O-N 2.94Å; T5-N8 PolarHBondContact O-N 3.16Å; C6-N8 VanDerWaalsContact C-N 3.31Å; C6-N8 PolarHBondContact O-N 2.74Å; N8-L10 VanDerWaalsContact C-N 3.31Å; N8-L10 PolarHBondContact O-N 3.07Å; N8-S11 VanDerWaalsContact O-CB 3.24Å; N8-S11 WeakPolarHBondContact O-CB 3.32Å; N8-S11 PolarHBondContact O-N 2.97Å; N8-S11 VanDerWaalsContact O-N 3.17Å; N8-S226 PolarHBondContact N-OG 2.89Å; N8-S226 WeakPolarHBondContact OD1-CA 3.32Å; N8-S226 PolarHBondContact OD1-N 2.89Å
9V98.5Very high98Very high19 Ų1927.8 Ų27.812%0.11515%0.146CC..Hα-helixtrans-62.8-37.7179.4166.60000111.8T5 C6 S11 L24 A78T5-V9 HydrophobicContact CG2-CG2 4.29Å; T5-V9 WeakPolarHBondContact O-CB 3.44Å; T5-V9 WeakPolarHBondContact O-CG2 3.22Å; T5-V9 PolarHBondContact O-N 3.38Å; C6-V9 PolarHBondContact O-N 2.98Å; V9-S11 VanDerWaalsContact C-N 3.33Å; V9-L24 HydrophobicContact CG1-CD1 3.82Å; V9-A78 HydrophobicContact CG1-CB 4.03Å
10L98.7Very high98Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-79-18.3177.7-67.9166.9000112.7C6 C7 N8 D12 L13 Y14 C21 L24 A57 A78 L151C6-L10 WeakPolarHBondContact O-CB 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.39Å; C6-L10 PolarHBondContact O-N 3Å; C7-L10 PolarHBondContact O-N 3.43Å; N8-L10 VanDerWaalsContact C-N 3.31Å; N8-L10 PolarHBondContact O-N 3.07Å; L10-D12 VanDerWaalsContact C-N 3.28Å; L10-D12 PolarHBondContact O-N 3.19Å; L10-L13 WeakPolarHBondContact O-CB 3.48Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-L13 VanDerWaalsContact O-N 3.13Å; L10-Y14 HydrophobicContact CB-CD2 4.2Å; L10-Y14 HydrophobicContact CB-CE2 3.46Å; L10-Y14 VanDerWaalsContact CB-CE2 3.46Å; L10-Y14 VanDerWaalsContact O-CD2 3.24Å; L10-Y14 WeakPolarHBondContact O-CD2 3.34Å; L10-Y14 PolarHBondContact O-N 3.18Å; L10-C21 HydrophobicContact CD2-CB 3.82Å; L10-L24 HydrophobicContact CD2-CD1 4.18Å; L10-A57 HydrophobicContact CD1-CB 3.58Å; L10-A78 HydrophobicContact CD2-CB 3.93Å; L10-L151 HydrophobicContact CD1-CD2 3.88Å
11S98.5Very high98Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-60.1-35.1-174.6-167.20000113.1C7 N8 V9 L13 Y14 A15 N152 D169C7-S11 WeakPolarHBondContact O-CB 3.3Å; C7-S11 PolarHBondContact O-N 3.45Å; N8-S11 VanDerWaalsContact O-CB 3.24Å; N8-S11 WeakPolarHBondContact O-CB 3.32Å; N8-S11 PolarHBondContact O-N 2.97Å; N8-S11 VanDerWaalsContact O-N 3.17Å; V9-S11 VanDerWaalsContact C-N 3.33Å; S11-L13 VanDerWaalsContact C-N 3.33Å; S11-L13 PolarHBondContact O-N 2.86Å; S11-Y14 CarbonylContact O-C 3.55Å; S11-Y14 WeakPolarHBondContact O-CB 3.45Å; S11-Y14 PolarHBondContact O-N 3.4Å; S11-Y14 VanDerWaalsContact O-N 3.12Å; S11-A15 PolarHBondContact O-N 3.36Å; S11-N152 PolarHBondContact OG-ND2 2.74Å; S11-D169 WeakPolarHBondContact CB-OD2 3.45Å; S11-D169 WeakPolarHBondContact OG-CB 3.26Å; S11-D169 PolarHBondContact OG-OD2 2.84Å
12D98Very high98.2Very high105 Ų10526.6 Ų26.656%0.56114%0.143SC*.Hα-helixtrans-61.9-38176.7-70.9-33.2000112.6L10L10-D12 VanDerWaalsContact C-N 3.28Å; L10-D12 PolarHBondContact O-N 3.19Å
13L98.6Very high98.2Very high27 Ų2728.5 Ų28.514%0.14115%0.153CC..Hα-helixtrans-65.1-45.3173.3-70-178.9000110.5L10 S11 A15 M16 G17 V18 C21 A78L10-L13 WeakPolarHBondContact O-CB 3.48Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-L13 VanDerWaalsContact O-N 3.13Å; S11-L13 VanDerWaalsContact C-N 3.33Å; S11-L13 PolarHBondContact O-N 2.86Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.34Å; L13-M16 CarbonylContact O-C 3.46Å; L13-M16 PolarHBondContact O-N 3.05Å; L13-G17 PolarHBondContact O-N 3.32Å; L13-V18 CarbonylContact C-O 3.26Å; L13-V18 HydrophobicContact CB-CB 4.19Å; L13-V18 HydrophobicContact CB-CG1 4.44Å; L13-V18 HydrophobicContact CD2-CB 4.46Å; L13-V18 HydrophobicContact CD2-CG1 4.3Å; L13-V18 WeakPolarHBondContact O-CB 3.33Å; L13-V18 PolarHBondContact O-N 2.83Å; L13-C21 HydrophobicContact CD1-CB 3.83Å; L13-A78 HydrophobicContact CD1-CB 3.82Å; L13-A78 HydrophobicContact CG-CB 4.27Å
14Y98.8Very high98.3Very high1 Ų126.8 Ų26.80%0.00415%0.146CC..Hα-helixtrans-64.8-33.8-179.6-59.3-35.3000112.7L10 S11 M16 G17 V18 A57 L151 N152 R153 A156L10-Y14 HydrophobicContact CB-CD2 4.2Å; L10-Y14 HydrophobicContact CB-CE2 3.46Å; L10-Y14 VanDerWaalsContact CB-CE2 3.46Å; L10-Y14 VanDerWaalsContact O-CD2 3.24Å; L10-Y14 WeakPolarHBondContact O-CD2 3.34Å; L10-Y14 PolarHBondContact O-N 3.18Å; S11-Y14 CarbonylContact O-C 3.55Å; S11-Y14 WeakPolarHBondContact O-CB 3.45Å; S11-Y14 PolarHBondContact O-N 3.4Å; S11-Y14 VanDerWaalsContact O-N 3.12Å; Y14-M16 PolarHBondContact O-N 2.89Å; Y14-G17 PolarHBondContact O-N 3.36Å; Y14-V18 VanDerWaalsContact CD1-O 3.26Å; Y14-V18 WeakPolarHBondContact CD1-O 3.38Å; Y14-A57 WeakPolarHBondContact OH-CB 3.43Å; Y14-L151 HydrophobicContact CE2-CD2 3.83Å; Y14-N152 HydrophobicContact CD2-CB 3.78Å; Y14-N152 HydrophobicContact CG-CB 4.18Å; Y14-R153 HydrophobicContact CD1-CB 4.18Å; Y14-R153 HydrophobicContact CD1-CG 4.36Å; Y14-R153 HydrophobicContact CE1-CB 3.63Å; Y14-R153 HydrophobicContact CE1-CG 3.64Å; Y14-R153 HydrophobicContact CE2-CB 4.03Å; Y14-A156 HydrophobicContact CD1-CB 4.01Å; Y14-A156 HydrophobicContact CG-CB 4.24Å; Y14-A156 WeakPolarHBondContact O-CB 3.49Å
15A98.6Very high98.3Very high9 Ų928.7 Ų28.77%0.07416%0.156CC..Hα-helixtrans-62.6-26.1173.900000112.6S11 L13 C167 D169 L229S11-A15 PolarHBondContact O-N 3.36Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.34Å; A15-C167 VanDerWaalsContact O-CB 3.29Å; A15-C167 WeakPolarHBondContact O-CB 3.39Å; A15-D169 HydrophobicContact CB-CB 4.37Å; A15-L229 HydrophobicContact CB-CD2 4.35Å
16M98.4Very high98.3Very high63 Ų6328.7 Ų28.731%0.3116%0.156SC..THydrogen-bonded Turntrans-92.38.9173.6-64.5-61.5-59.800112.9L13 Y14 V18 Y87 I88 M89 P90L13-M16 CarbonylContact O-C 3.46Å; L13-M16 PolarHBondContact O-N 3.05Å; Y14-M16 PolarHBondContact O-N 2.89Å; M16-V18 HydrophobicContact CB-CG2 4.19Å; M16-V18 PolarHBondContact O-N 3.47Å; M16-Y87 HydrophobicContact CE-CD2 4.37Å; M16-Y87 CarbonylContact O-C 3.53Å; M16-Y87 VanDerWaalsContact O-CA 3.22Å; M16-Y87 WeakPolarHBondContact O-CA 3.31Å; M16-Y87 WeakPolarHBondContact O-CB 3.28Å; M16-I88 WeakPolarHBondContact CE-O 3.4Å; M16-I88 PolarHBondContact O-N 3.46Å; M16-M89 HydrophobicContact CE-SD 4.48Å; M16-P90 HydrophobicContact SD-CG 4.29Å
17G98.4Very high98.2Very high0 Ų032.3 Ų32.30%017%0.174CC..THydrogen-bonded Turntrans72.84.4-175.300000114.4L13 Y14 V19 H160L13-G17 PolarHBondContact O-N 3.32Å; Y14-G17 PolarHBondContact O-N 3.36Å; G17-V19 PolarHBondContact O-N 3.12Å; G17-H160 PolarHBondContact O-CD2 3.08Å; G17-H160 PolarHBondContact O-NE2 3.26Å
18V98.6Very high98.1Very high10 Ų1032.4 Ų32.46%0.06118%0.175CC..  trans-80.1111-179.4-179.90000109.2L13 Y14 M16 D20 S80L13-V18 CarbonylContact C-O 3.26Å; L13-V18 HydrophobicContact CB-CB 4.19Å; L13-V18 HydrophobicContact CB-CG1 4.44Å; L13-V18 HydrophobicContact CD2-CB 4.46Å; L13-V18 HydrophobicContact CD2-CG1 4.3Å; L13-V18 WeakPolarHBondContact O-CB 3.33Å; L13-V18 PolarHBondContact O-N 2.83Å; Y14-V18 VanDerWaalsContact CD1-O 3.26Å; Y14-V18 WeakPolarHBondContact CD1-O 3.38Å; M16-V18 HydrophobicContact CB-CG2 4.19Å; M16-V18 PolarHBondContact O-N 3.47Å; V18-D20 WeakPolarHBondContact CG1-O 3.27Å; V18-S80 WeakPolarHBondContact CG1-OG 3.38Å
19V98Very high98Very high28 Ų2829.9 Ų29.917%0.1716%0.162CC..  trans-87.3-27.8-170.1-178.80000113.2G17 R153 A156 R157G17-V19 PolarHBondContact O-N 3.12Å; V19-R153 HydrophobicContact CG1-CG 3.74Å; V19-R153 PolarHBondContact O-NE 3.5Å; V19-A156 HydrophobicContact CG2-CB 4.32Å; V19-R157 HydrophobicContact CG1-CB 4.26Å; V19-R157 HydrophobicContact CG2-CB 3.77Å; V19-R157 HydrophobicContact CG2-CG 4.45Å
20D97.8Very high97.8Very high89 Ų8929.1 Ų29.148%0.47616%0.158SC..  trans-112.3143.1-174.9-63.9-40.8000111.3V18 S80 R153V18-D20 WeakPolarHBondContact CG1-O 3.27Å; D20-S80 VanDerWaalsContact O-CB 3.3Å; D20-S80 WeakPolarHBondContact O-CB 3.49Å; D20-S80 PolarHBondContact O-OG 2.88Å; D20-R153 IonicContact OD1-CZ 3.87Å; D20-R153 IonicContact OD1-NH2 2.86Å; D20-R153 PolarHBondContact OD1-NH2 2.81Å
21C98Very high97.5Very high12 Ų1229.9 Ų29.98%0.08116%0.162CC..  trans-120.8115-177.6177.30000109.6L10 L13 N23 T59L10-C21 HydrophobicContact CD2-CB 3.82Å; L13-C21 HydrophobicContact CD1-CB 3.83Å; C21-N23 PolarHBondContact SG-O 2.69Å; C21-T59 HydrophobicContact CB-CG2 4.14Å; C21-T59 VanDerWaalsContact O-CB 3.27Å; C21-T59 WeakPolarHBondContact O-CB 3.45Å; C21-T59 PolarHBondContact O-OG1 3.18Å
22D97.5Very high97.1Very high69 Ų6937.6 Ų37.637%0.36919%0.192SC..SBendtrans-72.9-41.6-178-70.2-53.9000112.4R62 T79 S80 V81D22-R62 PolarHBondContact O-NE 3.12Å; D22-R62 PolarHBondContact O-NH2 2.81Å; D22-T79 PolarHBondContact N-O 3.49Å; D22-S80 WeakPolarHBondContact OD2-CA 3.48Å; D22-V81 PolarHBondContact OD2-N 3.4Å
23N97.3Very high96.9Very high43 Ų4341.7 Ų41.723%0.2321%0.207CC..EExtended strand (participates in β ladder)trans-138.5124.2-174179.861.2000111.2C21 R62 A78 T79C21-N23 PolarHBondContact SG-O 2.69Å; N23-R62 WeakPolarHBondContact OD1-CB 3.26Å; N23-R62 VanDerWaalsContact OD1-CD 3.29Å; N23-R62 WeakPolarHBondContact OD1-CD 3.49Å; N23-R62 WeakPolarHBondContact OD1-CG 3.35Å; N23-A78 CarbonylContact O-C 3.47Å; N23-T79 PolarHBondContact N-O 2.97Å; N23-T79 PolarHBondContact O-N 3.41Å
24L98.4Very high96.5Very high0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-122.2124.6176.1-173.864.7000110.2V9 L10 F50 A54 T59 V61 R62 V77 A78V9-L24 HydrophobicContact CG1-CD1 3.82Å; L10-L24 HydrophobicContact CD2-CD1 4.18Å; L24-F50 HydrophobicContact CD1-CE1 4.31Å; L24-F50 HydrophobicContact CD1-CZ 4.15Å; L24-F50 HydrophobicContact CD2-CE1 3.63Å; L24-F50 HydrophobicContact CD2-CZ 4.2Å; L24-F50 HydrophobicContact CG-CE1 3.84Å; L24-F50 HydrophobicContact CG-CZ 4.19Å; L24-A54 HydrophobicContact CD2-CB 3.54Å; L24-T59 HydrophobicContact CB-CG2 4.3Å; L24-T59 HydrophobicContact CD2-CG2 3.94Å; L24-V61 HydrophobicContact CD2-CG2 4.35Å; L24-V61 CarbonylContact O-C 3.58Å; L24-V61 WeakPolarHBondContact O-CA 3.41Å; L24-R62 PolarHBondContact O-N 3.28Å; L24-V77 WeakPolarHBondContact CA-O 3.37Å; L24-A78 HydrophobicContact CD1-CB 4.02Å
25L98.1Very high96.2Very high54 Ų5446.3 Ų46.328%0.28323%0.234SC..EExtended strand (participates in β ladder)trans-110.8140.5176.5-54.9179.2000110.5G63 G76 V77L25-G63 WeakPolarHBondContact CA-O 3.17Å; L25-G76 CarbonylContact O-C 3.51Å; L25-G76 WeakPolarHBondContact O-CA 3.42Å; L25-V77 HydrophobicContact CB-CB 4.27Å; L25-V77 HydrophobicContact CD1-CB 4.45Å; L25-V77 PolarHBondContact N-O 2.94Å; L25-V77 PolarHBondContact O-N 3.05Å
26L98.2Very high95.8Very high16 Ų1651.9 Ų51.98%0.08426%0.258CS..EExtended strand (participates in β ladder)trans-97.5130.5173.6175.265.4000111.1M47 F50 V61 G63 G64 Q65 I74L26-M47 HydrophobicContact CD2-CB 4.39Å; L26-M47 HydrophobicContact CD2-CG 3.63Å; L26-F50 HydrophobicContact CB-CE1 4.36Å; L26-F50 HydrophobicContact CD1-CB 4.36Å; L26-F50 HydrophobicContact CD1-CD1 4.1Å; L26-F50 HydrophobicContact CD1-CD2 3.68Å; L26-F50 HydrophobicContact CD1-CE1 4.3Å; L26-F50 HydrophobicContact CD1-CE2 3.92Å; L26-F50 HydrophobicContact CD1-CG 3.79Å; L26-F50 HydrophobicContact CD1-CZ 4.22Å; L26-V61 HydrophobicContact CB-CG1 3.92Å; L26-G63 PolarHBondContact N-O 2.81Å; L26-G64 CarbonylContact O-C 3.49Å; L26-G64 WeakPolarHBondContact O-CA 3.11Å; L26-Q65 PolarHBondContact O-N 2.79Å; L26-I74 HydrophobicContact CD1-CD1 4.21Å; L26-I74 HydrophobicContact CD1-CG1 4.02Å
27L97.7Very high95.7Very high76 Ų7655.6 Ų55.640%0.39828%0.275SS..EExtended strand (participates in β ladder)trans-112.2124172.2-56.8179.1000109Q65 I74 G75 V77L27-Q65 HydrophobicContact CD2-CB 4.19Å; L27-I74 CarbonylContact O-C 3.57Å; L27-I74 WeakPolarHBondContact O-CA 3.48Å; L27-G75 PolarHBondContact N-O 3.27Å; L27-G75 PolarHBondContact O-N 2.97Å; L27-V77 HydrophobicContact CD1-CG2 4.18Å
28L96.3Very high95.5Very high3 Ų360.3 Ų60.32%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-131.7121.4-177.3-174.867.7000111.4V30 N43 L46 M47 Q65 T66 V67 M73 I74L28-V30 HydrophobicContact CD2-CG2 3.89Å; L28-V30 HydrophobicContact CG-CG2 3.89Å; L28-N43 HydrophobicContact CD2-CB 4.1Å; L28-L46 HydrophobicContact CD1-CD1 4.01Å; L28-M47 HydrophobicContact CD2-CE 3.48Å; L28-M47 VanDerWaalsContact CD2-CE 3.48Å; L28-Q65 PolarHBondContact N-O 2.81Å; L28-T66 HydrophobicContact CB-CG2 4.29Å; L28-T66 HydrophobicContact CD2-CG2 4.09Å; L28-T66 HydrophobicContact CG-CG2 4.33Å; L28-T66 CarbonylContact O-C 3.59Å; L28-T66 VanDerWaalsContact O-CA 3.25Å; L28-T66 WeakPolarHBondContact O-CA 3.35Å; L28-V67 PolarHBondContact O-N 3.32Å; L28-M73 CarbonylContact C-O 3.48Å; L28-M73 WeakPolarHBondContact CA-O 3.42Å; L28-I74 HydrophobicContact CD1-CB 4.28Å; L28-I74 HydrophobicContact CD1-CG1 4.41Å
29G95.7Very high95.2Very high3 Ų363.2 Ų63.23%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-102.5113.9168.400000109.8V67 L72 M73G29-V67 CarbonylContact C-O 3.56Å; G29-V67 WeakPolarHBondContact CA-O 3Å; G29-L72 WeakPolarHBondContact O-CA 3.33Å; G29-M73 PolarHBondContact N-O 3.13Å; G29-M73 PolarHBondContact O-N 2.71Å
30V93.5Very high94.9Very high4 Ų467.3 Ų67.32%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-98.1126.6-174.9-172.80000110L28 R32 R39 N43 T66 V67 S69L28-V30 HydrophobicContact CD2-CG2 3.89Å; L28-V30 HydrophobicContact CG-CG2 3.89Å; V30-R32 PolarHBondContact O-N 3.28Å; V30-R39 HydrophobicContact CG1-CB 4.16Å; V30-R39 VanDerWaalsContact CG1-CD 3.46Å; V30-R39 HydrophobicContact CG1-CG 3.56Å; V30-N43 WeakPolarHBondContact CG2-ND2 3.34Å; V30-N43 WeakPolarHBondContact CG2-OD1 3.46Å; V30-T66 HydrophobicContact CG2-CG2 3.57Å; V30-V67 PolarHBondContact N-O 2.9Å; V30-S69 PolarHBondContact O-N 3.11Å; V30-S69 VanDerWaalsContact O-O 3.05Å
31P92.9Very high94.8Very high15 Ų1567 Ų6710%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-53.8131.3178.1-28.736.7000113E33 M34 S69 L72P31-E33 PolarHBondContact O-N 2.87Å; P31-M34 HydrophobicContact CB-CB 4.5Å; P31-M34 HydrophobicContact CB-CE 4.42Å; P31-M34 HydrophobicContact CB-CG 3.98Å; P31-M34 HydrophobicContact CB-SD 4.06Å; P31-M34 HydrophobicContact CG-CE 3.84Å; P31-M34 HydrophobicContact CG-CG 4.36Å; P31-M34 HydrophobicContact CG-SD 3.82Å; P31-S69 CarbonylContact C-O 3.44Å; P31-S69 WeakPolarHBondContact CA-O 3.41Å; P31-L72 HydrophobicContact CG-CB 3.77Å; P31-L72 HydrophobicContact CG-CD1 4.39Å
32R91.2Very high94.5Very high163 Ų16367.8 Ų67.862%0.61533%0.327SS*.THydrogen-bonded Turntrans-64.7-29.4176.2-69.3178.1-172.51762113.1V30 L68 S69V30-R32 PolarHBondContact O-N 3.28Å; R32-L68 HydrophobicContact CG-CB 4.26Å; R32-S69 PolarHBondContact N-O 2.99Å
33E92.5Very high94.3Very high191 Ų19165.7 Ų65.789%0.89332%0.316SS*.THydrogen-bonded Turntrans-84.5-12.7-174.2-63.6-179-178.400113.6P31P31-E33 PolarHBondContact O-N 2.87Å
34M90.5Very high94.2Very high50 Ų5070 Ų7025%0.24633%0.33CS..SBendtrans-69137.9173-78.4175.117700110.4P31 E38 R39P31-M34 HydrophobicContact CB-CB 4.5Å; P31-M34 HydrophobicContact CB-CE 4.42Å; P31-M34 HydrophobicContact CB-CG 3.98Å; P31-M34 HydrophobicContact CB-SD 4.06Å; P31-M34 HydrophobicContact CG-CE 3.84Å; P31-M34 HydrophobicContact CG-CG 4.36Å; P31-M34 HydrophobicContact CG-SD 3.82Å; M34-E38 HydrophobicContact CB-CB 4.13Å; M34-E38 HydrophobicContact CG-CB 4.29Å; M34-R39 HydrophobicContact CB-CG 3.5Å; M34-R39 PolarHBondContact O-NH1 2.93Å; M34-R39 HydrophobicContact SD-CG 4.36Å
35T92.9Very high94.1Very high74 Ų7474.5 Ų74.545%0.45435%0.353SS..  trans-60.8163167.963.90000111E37 E38 R39T35-E37 VanDerWaalsContact C-N 3.29Å; T35-E37 PolarHBondContact O-N 2.95Å; T35-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.47Å; T35-E38 PolarHBondContact N-OE2 3.35Å; T35-E38 PolarHBondContact O-N 2.85Å; T35-E38 WeakPolarHBondContact OG1-CB 3.36Å; T35-E38 WeakPolarHBondContact OG1-CG 3.43Å; T35-E38 PolarHBondContact OG1-N 3.11Å; T35-E38 PolarHBondContact OG1-OE2 2.73Å; T35-R39 VanDerWaalsContact O-CG 3.32Å; T35-R39 WeakPolarHBondContact O-CG 3.23Å; T35-R39 PolarHBondContact O-N 2.97Å
36Q91.1Very high94Very high126 Ų12672.6 Ų72.659%0.58934%0.343SS*.Hα-helixtrans-58.4-43.2177.6179.7173.6-8.400112.1R39 E40Q36-R39 PolarHBondContact O-N 3.39Å; Q36-E40 HydrophobicContact CG-CG 4.46Å; Q36-E40 VanDerWaalsContact CG-OE1 3.31Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.1Å; Q36-E40 PolarHBondContact NE2-OE1 3.19Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.46Å
37E94.6Very high93.9Very high141 Ų14175.2 Ų75.266%0.65936%0.355SS*.Hα-helixtrans-62.4-46.6178.8-175.9176.6-173.800111.9T35 R39 E40 I41T35-E37 VanDerWaalsContact C-N 3.29Å; T35-E37 PolarHBondContact O-N 2.95Å; E37-R39 VanDerWaalsContact C-N 3.32Å; E37-R39 PolarHBondContact O-N 2.9Å; E37-E40 PolarHBondContact O-N 2.88Å; E37-I41 HydrophobicContact CG-CD1 4.18Å; E37-I41 WeakPolarHBondContact O-CG1 3.34Å; E37-I41 PolarHBondContact O-N 3.25Å
38E94.7Very high93.8Very high100 Ų10075.1 Ų75.147%0.46735%0.353SS..Hα-helixtrans-60.7-40.8176-72.1164.614700112M34 T35 I41 S42M34-E38 HydrophobicContact CB-CB 4.13Å; M34-E38 HydrophobicContact CG-CB 4.29Å; T35-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.47Å; T35-E38 PolarHBondContact N-OE2 3.35Å; T35-E38 PolarHBondContact O-N 2.85Å; T35-E38 WeakPolarHBondContact OG1-CB 3.36Å; T35-E38 WeakPolarHBondContact OG1-CG 3.43Å; T35-E38 PolarHBondContact OG1-N 3.11Å; T35-E38 PolarHBondContact OG1-OE2 2.73Å; E38-I41 PolarHBondContact O-N 2.78Å; E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-S42 PolarHBondContact O-N 2.7Å
39R91.9Very high93.8Very high71 Ų7175.8 Ų75.827%0.26836%0.361SS..Hα-helixtrans-64.4-43.6176-69.6-173.8-53.6-112.55.8111.5V30 M34 T35 Q36 E37 I41 N43V30-R39 HydrophobicContact CG1-CB 4.16Å; V30-R39 VanDerWaalsContact CG1-CD 3.46Å; V30-R39 HydrophobicContact CG1-CG 3.56Å; M34-R39 HydrophobicContact CB-CG 3.5Å; M34-R39 PolarHBondContact O-NH1 2.93Å; M34-R39 HydrophobicContact SD-CG 4.36Å; T35-R39 VanDerWaalsContact O-CG 3.32Å; T35-R39 WeakPolarHBondContact O-CG 3.23Å; T35-R39 PolarHBondContact O-N 2.97Å; Q36-R39 PolarHBondContact O-N 3.39Å; E37-R39 VanDerWaalsContact C-N 3.32Å; E37-R39 PolarHBondContact O-N 2.9Å; R39-I41 VanDerWaalsContact C-N 3.34Å; R39-I41 PolarHBondContact O-N 2.65Å; R39-N43 WeakPolarHBondContact O-CB 3.31Å; R39-N43 PolarHBondContact O-N 2.64Å; R39-N43 PolarHBondContact O-ND2 2.67Å
40E92.4Very high93.9Very high113 Ų11375.7 Ų75.753%0.52836%0.359SS..Hα-helixtrans-61-43.3178.9-75.9173.2-168.200111.3Q36 E37 R44Q36-E40 HydrophobicContact CG-CG 4.46Å; Q36-E40 VanDerWaalsContact CG-OE1 3.31Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.1Å; Q36-E40 PolarHBondContact NE2-OE1 3.19Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.46Å; E37-E40 PolarHBondContact O-N 2.88Å; E40-R44 WeakPolarHBondContact O-CB 3.48Å; E40-R44 PolarHBondContact O-N 2.94Å
41I94.8Very high94.1Very high82 Ų8281.5 Ų81.542%0.42138%0.384SS..Hα-helixtrans-68.1-53.7177.2-63.4167000111E37 E38 R39 R44 L45E37-I41 HydrophobicContact CG-CD1 4.18Å; E37-I41 WeakPolarHBondContact O-CG1 3.34Å; E37-I41 PolarHBondContact O-N 3.25Å; E38-I41 PolarHBondContact O-N 2.78Å; R39-I41 VanDerWaalsContact C-N 3.34Å; R39-I41 PolarHBondContact O-N 2.65Å; I41-R44 PolarHBondContact O-N 2.88Å; I41-L45 HydrophobicContact CG2-CD1 3.95Å; I41-L45 WeakPolarHBondContact O-CG 3.46Å; I41-L45 PolarHBondContact O-N 3.33Å
42S93.1Very high94.2Very high29 Ų2984.7 Ų84.720%0.20340%0.401CS..Hα-helixtrans-63-49-174.6-177.30000111.8E38 R44 L45 L46E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-S42 PolarHBondContact O-N 2.7Å; S42-R44 VanDerWaalsContact C-N 3.33Å; S42-R44 PolarHBondContact O-N 3.43Å; S42-L45 PolarHBondContact O-N 3.3Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 VanDerWaalsContact O-CG 3.25Å; S42-L46 WeakPolarHBondContact O-CG 3.45Å; S42-L46 PolarHBondContact O-N 3.34Å
43N93.5Very high94.5Very high26 Ų2677 Ų7714%0.13937%0.371CS..Hα-helixtrans-62.9-42.5-179.5-65.4-12.4000111.1L28 V30 R39 L46 M47L28-N43 HydrophobicContact CD2-CB 4.1Å; V30-N43 WeakPolarHBondContact CG2-ND2 3.34Å; V30-N43 WeakPolarHBondContact CG2-OD1 3.46Å; R39-N43 WeakPolarHBondContact O-CB 3.31Å; R39-N43 PolarHBondContact O-N 2.64Å; R39-N43 PolarHBondContact O-ND2 2.67Å; N43-L46 PolarHBondContact O-N 2.76Å; N43-M47 HydrophobicContact CB-CE 4.41Å; N43-M47 VanDerWaalsContact O-CB 3.31Å; N43-M47 WeakPolarHBondContact O-CB 3.47Å; N43-M47 WeakPolarHBondContact O-CG 3.35Å; N43-M47 PolarHBondContact O-N 2.91Å
44R94.9Very high94.7Very high134 Ų13467.9 Ų67.951%0.50633%0.329SS..Hα-helixtrans-58.6-52.6177.2-179.2177.372.393.4-3.6111.2E40 I41 S42 L46 M47 E48E40-R44 WeakPolarHBondContact O-CB 3.48Å; E40-R44 PolarHBondContact O-N 2.94Å; I41-R44 PolarHBondContact O-N 2.88Å; S42-R44 VanDerWaalsContact C-N 3.33Å; S42-R44 PolarHBondContact O-N 3.43Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.4Å; R44-M47 PolarHBondContact O-N 2.98Å; R44-E48 WeakPolarHBondContact CD-OE1 3.38Å; R44-E48 HydrophobicContact CG-CG 4.24Å; R44-E48 WeakPolarHBondContact CG-OE1 3.4Å; R44-E48 IonicContact CZ-OE1 3.94Å; R44-E48 IonicContact NE-OE1 3.26Å; R44-E48 IonicContact NH1-OE1 3.4Å; R44-E48 PolarHBondContact NH1-OE1 2.95Å; R44-E48 IonicContact NH1-OE2 2.64Å; R44-E48 PolarHBondContact NH1-OE2 3.13Å; R44-E48 WeakPolarHBondContact O-CB 3.32Å; R44-E48 VanDerWaalsContact O-CG 3.26Å; R44-E48 WeakPolarHBondContact O-CG 3.38Å; R44-E48 PolarHBondContact O-N 3.28Å
45L96.1Very high95Very high94 Ų9467.9 Ų67.949%0.49233%0.334SS..Hα-helixtrans-64.4-36.1-178.7-66.7175.2000112.7I41 S42 G49I41-L45 HydrophobicContact CG2-CD1 3.95Å; I41-L45 WeakPolarHBondContact O-CG 3.46Å; I41-L45 PolarHBondContact O-N 3.33Å; S42-L45 PolarHBondContact O-N 3.3Å; L45-G49 PolarHBondContact O-N 3.33Å; L45-G49 VanDerWaalsContact O-N 3.08Å
46L95.9Very high95.1Very high14 Ų1466.2 Ų66.27%0.07332%0.321CS..Hα-helixtrans-65.3-46.3174.5-75.2172.3000111.9M1 G2 L28 S42 N43 R44 F50 L72 I74M1-L46 HydrophobicContact CB-CD2 3.5Å; M1-L46 VanDerWaalsContact CB-CD2 3.5Å; G2-L46 VanDerWaalsContact CA-O 3.31Å; G2-L46 WeakPolarHBondContact CA-O 3.48Å; L28-L46 HydrophobicContact CD1-CD1 4.01Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 VanDerWaalsContact O-CG 3.25Å; S42-L46 WeakPolarHBondContact O-CG 3.45Å; S42-L46 PolarHBondContact O-N 3.34Å; N43-L46 PolarHBondContact O-N 2.76Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.4Å; L46-F50 WeakPolarHBondContact O-CB 3.29Å; L46-F50 PolarHBondContact O-N 3.19Å; L46-F50 VanDerWaalsContact O-N 3.1Å; L46-L72 HydrophobicContact CD1-CD1 3.85Å; L46-L72 HydrophobicContact CD1-CD2 4.42Å; L46-I74 HydrophobicContact CB-CD1 4.01Å; L46-I74 HydrophobicContact CD2-CD1 4Å; L46-I74 HydrophobicContact CG-CD1 4.45Å
47M95.8Very high95.4Very high70 Ų7060.2 Ų60.235%0.34529%0.293SS..Hα-helixtrans-66.4-43.4178.2-71.3177.3-175.500111.9L26 L28 N43 R44 F50 K51L26-M47 HydrophobicContact CD2-CB 4.39Å; L26-M47 HydrophobicContact CD2-CG 3.63Å; L28-M47 HydrophobicContact CD2-CE 3.48Å; L28-M47 VanDerWaalsContact CD2-CE 3.48Å; N43-M47 HydrophobicContact CB-CE 4.41Å; N43-M47 VanDerWaalsContact O-CB 3.31Å; N43-M47 WeakPolarHBondContact O-CB 3.47Å; N43-M47 WeakPolarHBondContact O-CG 3.35Å; N43-M47 PolarHBondContact O-N 2.91Å; R44-M47 PolarHBondContact O-N 2.98Å; M47-F50 PolarHBondContact O-N 2.86Å; M47-K51 VanDerWaalsContact O-CB 3.29Å; M47-K51 WeakPolarHBondContact O-CB 3.26Å; M47-K51 PolarHBondContact O-N 3.25Å
48E96Very high95.4Very high75 Ų7556.3 Ų56.335%0.3529%0.291SS..Hα-helixtrans-57.5-53.3176-76.8171.4-179.100110.3R44 F50 K51 D52R44-E48 WeakPolarHBondContact CD-OE1 3.38Å; R44-E48 HydrophobicContact CG-CG 4.24Å; R44-E48 WeakPolarHBondContact CG-OE1 3.4Å; R44-E48 IonicContact CZ-OE1 3.94Å; R44-E48 IonicContact NE-OE1 3.26Å; R44-E48 IonicContact NH1-OE1 3.4Å; R44-E48 PolarHBondContact NH1-OE1 2.95Å; R44-E48 IonicContact NH1-OE2 2.64Å; R44-E48 PolarHBondContact NH1-OE2 3.13Å; R44-E48 WeakPolarHBondContact O-CB 3.32Å; R44-E48 VanDerWaalsContact O-CG 3.26Å; R44-E48 WeakPolarHBondContact O-CG 3.38Å; R44-E48 PolarHBondContact O-N 3.28Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 3.46Å; E48-K51 PolarHBondContact O-N 2.94Å; E48-D52 WeakPolarHBondContact O-CB 3.22Å; E48-D52 PolarHBondContact O-N 3.47Å
49G96.6Very high95.5Very high17 Ų1752 Ų5218%0.17527%0.271CS..Hα-helixtrans-61.5-36.2179.100000113.9R3 L45 C53R3-G49 WeakPolarHBondContact CA-O 3.49Å; R3-G49 WeakPolarHBondContact CB-O 3.24Å; R3-G49 VanDerWaalsContact N-C 3.35Å; R3-G49 PolarHBondContact N-O 3.17Å; L45-G49 PolarHBondContact O-N 3.33Å; L45-G49 VanDerWaalsContact O-N 3.08Å; G49-C53 PolarHBondContact O-N 3.2Å
50F97.7Very high95.7Very high0 Ų054.7 Ų54.70%028%0.282CS..Hα-helixtrans-68.2-44.8176.2-167.8-79000111.3G2 T5 C6 L24 L26 L46 M47 E48 C53 A54 V61G2-F50 WeakPolarHBondContact O-CA 3.49Å; G2-F50 WeakPolarHBondContact O-CD2 3.33Å; T5-F50 HydrophobicContact CG2-CD2 4.19Å; T5-F50 HydrophobicContact CG2-CE2 3.98Å; C6-F50 HydrophobicContact CB-CB 4.49Å; C6-F50 HydrophobicContact CB-CD1 4.14Å; C6-F50 HydrophobicContact CB-CD2 3.59Å; C6-F50 HydrophobicContact CB-CE1 4.27Å; C6-F50 HydrophobicContact CB-CE2 3.72Å; C6-F50 HydrophobicContact CB-CG 3.81Å; C6-F50 HydrophobicContact CB-CZ 4.07Å; L24-F50 HydrophobicContact CD1-CE1 4.31Å; L24-F50 HydrophobicContact CD1-CZ 4.15Å; L24-F50 HydrophobicContact CD2-CE1 3.63Å; L24-F50 HydrophobicContact CD2-CZ 4.2Å; L24-F50 HydrophobicContact CG-CE1 3.84Å; L24-F50 HydrophobicContact CG-CZ 4.19Å; L26-F50 HydrophobicContact CB-CE1 4.36Å; L26-F50 HydrophobicContact CD1-CB 4.36Å; L26-F50 HydrophobicContact CD1-CD1 4.1Å; L26-F50 HydrophobicContact CD1-CD2 3.68Å; L26-F50 HydrophobicContact CD1-CE1 4.3Å; L26-F50 HydrophobicContact CD1-CE2 3.92Å; L26-F50 HydrophobicContact CD1-CG 3.79Å; L26-F50 HydrophobicContact CD1-CZ 4.22Å; L46-F50 WeakPolarHBondContact O-CB 3.29Å; L46-F50 PolarHBondContact O-N 3.19Å; L46-F50 VanDerWaalsContact O-N 3.1Å; M47-F50 PolarHBondContact O-N 2.86Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 3.46Å; F50-C53 PolarHBondContact O-N 2.93Å; F50-A54 PolarHBondContact O-N 3.1Å; F50-V61 HydrophobicContact CD1-CG2 3.68Å; F50-V61 HydrophobicContact CE1-CG2 3.87Å
51K96.4Very high95.9Very high126 Ų12651.6 Ų51.655%0.54827%0.271SS..Hα-helixtrans-63.1-41.3177.3-179.2-166.8169.9-161.20112.5M47 E48 C53 A54 S55M47-K51 VanDerWaalsContact O-CB 3.29Å; M47-K51 WeakPolarHBondContact O-CB 3.26Å; M47-K51 PolarHBondContact O-N 3.25Å; E48-K51 PolarHBondContact O-N 2.94Å; K51-C53 VanDerWaalsContact C-N 3.31Å; K51-C53 PolarHBondContact O-N 3.11Å; K51-A54 WeakPolarHBondContact O-CB 3.3Å; K51-A54 PolarHBondContact O-N 3.28Å; K51-S55 PolarHBondContact O-N 3.21Å; K51-S55 PolarHBondContact O-OG 3.43Å
52D95.9Very high95.9Very high83 Ų8353.9 Ų53.944%0.44427%0.274SS..Hα-helixtrans-62.4-41.9179.4-70.5-10.5000111E48 S55 E56E48-D52 WeakPolarHBondContact O-CB 3.22Å; E48-D52 PolarHBondContact O-N 3.47Å; D52-S55 PolarHBondContact O-N 3.33Å; D52-E56 PolarHBondContact O-N 3Å; D52-E56 VanDerWaalsContact O-N 3.1Å
53C96.9Very high96Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-65.1-43.4174.3-170.80000112.3R3 C6 C7 G49 F50 K51 S55 E56 A57R3-C53 HydrophobicContact CB-CB 4.31Å; R3-C53 HydrophobicContact CG-CB 3.94Å; C6-C53 HydrophobicContact CB-CB 3.59Å; C7-C53 PolarHBondContact SG-SG 3.21Å; G49-C53 PolarHBondContact O-N 3.2Å; F50-C53 PolarHBondContact O-N 2.93Å; K51-C53 VanDerWaalsContact C-N 3.31Å; K51-C53 PolarHBondContact O-N 3.11Å; C53-S55 VanDerWaalsContact C-N 3.26Å; C53-S55 PolarHBondContact O-N 3.39Å; C53-E56 PolarHBondContact O-N 3.29Å; C53-A57 PolarHBondContact O-N 2.98Å
54A97.5Very high96Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-57.3-42.2175.600000111.7L24 F50 K51 A57 G58 T59 V61L24-A54 HydrophobicContact CD2-CB 3.54Å; F50-A54 PolarHBondContact O-N 3.1Å; K51-A54 WeakPolarHBondContact O-CB 3.3Å; K51-A54 PolarHBondContact O-N 3.28Å; A54-A57 CarbonylContact O-C 3.56Å; A54-A57 WeakPolarHBondContact O-CB 3.37Å; A54-A57 PolarHBondContact O-N 3.22Å; A54-G58 PolarHBondContact O-N 2.89Å; A54-T59 CarbonylContact C-O 3.49Å; A54-T59 VanDerWaalsContact C-O 3.26Å; A54-T59 HydrophobicContact CB-CG2 4.14Å; A54-T59 CarbonylContact O-C 3.58Å; A54-T59 WeakPolarHBondContact O-CG2 2.95Å; A54-T59 PolarHBondContact O-N 2.87Å; A54-V61 HydrophobicContact CB-CG2 4.02Å
55S96.2Very high96Very high50 Ų5054.3 Ų54.335%0.3530%0.299SS..Hα-helixtrans-65.5-41.4178.7-52.70000111.8K51 D52 C53 A57 G58K51-S55 PolarHBondContact O-N 3.21Å; K51-S55 PolarHBondContact O-OG 3.43Å; D52-S55 PolarHBondContact O-N 3.33Å; C53-S55 VanDerWaalsContact C-N 3.26Å; C53-S55 PolarHBondContact O-N 3.39Å; S55-A57 VanDerWaalsContact C-N 3.3Å; S55-A57 PolarHBondContact O-N 3.4Å; S55-G58 PolarHBondContact O-N 2.95Å; S55-G58 VanDerWaalsContact O-N 3.11Å
56E95.8Very high95.9Very high39 Ų3953.1 Ų53.118%0.18230%0.296CS..Hα-helixtrans-62.5-37172.6-175.7-175.414500112.3R3 D52 C53 G58 L151R3-E56 IonicContact CZ-OE2 3.52Å; R3-E56 IonicContact NH1-OE1 2.65Å; R3-E56 IonicContact NH1-OE2 2.81Å; R3-E56 PolarHBondContact NH1-OE2 3.47Å; R3-E56 IonicContact NH2-OE2 3.72Å; R3-E56 PolarHBondContact NH2-OE2 3.29Å; D52-E56 PolarHBondContact O-N 3Å; D52-E56 VanDerWaalsContact O-N 3.1Å; C53-E56 PolarHBondContact O-N 3.29Å; E56-G58 PolarHBondContact O-N 3.4Å; E56-L151 HydrophobicContact CB-CD1 4.08Å; E56-L151 HydrophobicContact CG-CD1 3.81Å
57A96.4Very high95.8Very high1 Ų155.7 Ų55.71%0.00831%0.312CS..THydrogen-bonded Turntrans-71.5-3175.100000113.9L10 Y14 C53 A54 S55 T59 L151 R153L10-A57 HydrophobicContact CD1-CB 3.58Å; Y14-A57 WeakPolarHBondContact OH-CB 3.43Å; C53-A57 PolarHBondContact O-N 2.98Å; A54-A57 CarbonylContact O-C 3.56Å; A54-A57 WeakPolarHBondContact O-CB 3.37Å; A54-A57 PolarHBondContact O-N 3.22Å; S55-A57 VanDerWaalsContact C-N 3.3Å; S55-A57 PolarHBondContact O-N 3.4Å; A57-T59 VanDerWaalsContact C-N 3.3Å; A57-T59 HydrophobicContact CB-CG2 4.27Å; A57-L151 HydrophobicContact CB-CD1 3.81Å; A57-L151 HydrophobicContact CB-CD2 4.26Å; A57-R153 VanDerWaalsContact O-CZ 3.28Å; A57-R153 PolarHBondContact O-NE 3.32Å
58G95.8Very high95.7Very high59 Ų5957.9 Ų57.961%0.60832%0.324SS*.THydrogen-bonded Turntrans75.118.4-177.900000113.9A54 S55 E56A54-G58 PolarHBondContact O-N 2.89Å; S55-G58 PolarHBondContact O-N 2.95Å; S55-G58 VanDerWaalsContact O-N 3.11Å; E56-G58 PolarHBondContact O-N 3.4Å
59T96.6Very high95.5Very high8 Ų854.6 Ų54.65%0.04931%0.31CS..  trans-123.7-178.6177-166.60000110.9C21 L24 A54 A57C21-T59 HydrophobicContact CB-CG2 4.14Å; C21-T59 VanDerWaalsContact O-CB 3.27Å; C21-T59 WeakPolarHBondContact O-CB 3.45Å; C21-T59 PolarHBondContact O-OG1 3.18Å; L24-T59 HydrophobicContact CB-CG2 4.3Å; L24-T59 HydrophobicContact CD2-CG2 3.94Å; A54-T59 CarbonylContact C-O 3.49Å; A54-T59 VanDerWaalsContact C-O 3.26Å; A54-T59 HydrophobicContact CB-CG2 4.14Å; A54-T59 CarbonylContact O-C 3.58Å; A54-T59 WeakPolarHBondContact O-CG2 2.95Å; A54-T59 PolarHBondContact O-N 2.87Å; A57-T59 VanDerWaalsContact C-N 3.3Å; A57-T59 HydrophobicContact CB-CG2 4.27Å
60Y96Very high95.4Very high129 Ų12957.3 Ų57.351%0.50632%0.324SS..  trans-142.3146.1178.554-82.5000111.2R62Y60-R62 HydrophobicContact CD2-CG 3.6Å; Y60-R62 HydrophobicContact CE2-CG 3.44Å; Y60-R62 VanDerWaalsContact CE2-CG 3.44Å; Y60-R62 VanDerWaalsContact CE2-NE 3.31Å; Y60-R62 VanDerWaalsContact CZ-CZ 3.43Å; Y60-R62 VanDerWaalsContact CZ-NE 3.28Å; Y60-R62 PolarHBondContact O-N 3.1Å; Y60-R62 VanDerWaalsContact O-N 3.12Å; Y60-R62 PolarHBondContact OH-NE 3.13Å; Y60-R62 PolarHBondContact OH-NH1 3.29Å; Y60-R62 PolarHBondContact OH-NH2 3.01Å
61V96.9Very high95.1Very high47 Ų4766.5 Ų66.529%0.28536%0.359SS..EExtended strand (participates in β ladder)trans-70.6106.7175-172.60000108.2L24 L26 F50 A54 G63L24-V61 HydrophobicContact CD2-CG2 4.35Å; L24-V61 CarbonylContact O-C 3.58Å; L24-V61 WeakPolarHBondContact O-CA 3.41Å; L26-V61 HydrophobicContact CB-CG1 3.92Å; F50-V61 HydrophobicContact CD1-CG2 3.68Å; F50-V61 HydrophobicContact CE1-CG2 3.87Å; A54-V61 HydrophobicContact CB-CG2 4.02Å; V61-G63 WeakPolarHBondContact CG1-O 2.88Å
62R94.4Very high94.9Very high131 Ų13164.3 Ų64.349%0.49435%0.353SS..EExtended strand (participates in β ladder)trans-84.9-16.4-176-59.7-151.5-175.1-164.63.9113.8D22 N23 L24 Y60D22-R62 PolarHBondContact O-NE 3.12Å; D22-R62 PolarHBondContact O-NH2 2.81Å; N23-R62 WeakPolarHBondContact OD1-CB 3.26Å; N23-R62 VanDerWaalsContact OD1-CD 3.29Å; N23-R62 WeakPolarHBondContact OD1-CD 3.49Å; N23-R62 WeakPolarHBondContact OD1-CG 3.35Å; L24-R62 PolarHBondContact O-N 3.28Å; Y60-R62 HydrophobicContact CD2-CG 3.6Å; Y60-R62 HydrophobicContact CE2-CG 3.44Å; Y60-R62 VanDerWaalsContact CE2-CG 3.44Å; Y60-R62 VanDerWaalsContact CE2-NE 3.31Å; Y60-R62 VanDerWaalsContact CZ-CZ 3.43Å; Y60-R62 VanDerWaalsContact CZ-NE 3.28Å; Y60-R62 PolarHBondContact O-N 3.1Å; Y60-R62 VanDerWaalsContact O-N 3.12Å; Y60-R62 PolarHBondContact OH-NE 3.13Å; Y60-R62 PolarHBondContact OH-NH1 3.29Å; Y60-R62 PolarHBondContact OH-NH2 3.01Å
63G94.4Very high94.9Very high32 Ų3265.3 Ų65.333%0.3336%0.356SS..EExtended strand (participates in β ladder)trans174.1-164-17600000110.9L25 L26 V61L25-G63 WeakPolarHBondContact CA-O 3.17Å; L26-G63 PolarHBondContact N-O 2.81Å; V61-G63 WeakPolarHBondContact CG1-O 2.88Å
64G93.9Very high94.9Very high46 Ų4667 Ų6747%0.47436%0.364SS..EExtended strand (participates in β ladder)trans160.8176.5-175.600000112.6L26L26-G64 CarbonylContact O-C 3.49Å; L26-G64 WeakPolarHBondContact O-CA 3.11Å
65Q95.2Very high94.9Very high119 Ų11967.9 Ų67.956%0.55637%0.374SS*.EExtended strand (participates in β ladder)trans-128.3127.5175.2-172.566.124.700109.3L26 L27 L28 V67L26-Q65 PolarHBondContact O-N 2.79Å; L27-Q65 HydrophobicContact CD2-CB 4.19Å; L28-Q65 PolarHBondContact N-O 2.81Å; Q65-V67 HydrophobicContact CG-CG1 3.86Å
66T93.3Very high94.9Very high70 Ų7066.5 Ų66.543%0.42937%0.367SS..EExtended strand (participates in β ladder)trans-106.7130.3168.7-58.10000109.1L28 V30L28-T66 HydrophobicContact CB-CG2 4.29Å; L28-T66 HydrophobicContact CD2-CG2 4.09Å; L28-T66 HydrophobicContact CG-CG2 4.33Å; L28-T66 CarbonylContact O-C 3.59Å; L28-T66 VanDerWaalsContact O-CA 3.25Å; L28-T66 WeakPolarHBondContact O-CA 3.35Å; V30-T66 HydrophobicContact CG2-CG2 3.57Å
67V94.2Very high95.1Very high68 Ų6867.7 Ų67.741%0.41238%0.377SS..EExtended strand (participates in β ladder)trans-130.6150.8179-60.90000110.9L28 G29 V30 Q65L28-V67 PolarHBondContact O-N 3.32Å; G29-V67 CarbonylContact C-O 3.56Å; G29-V67 WeakPolarHBondContact CA-O 3Å; V30-V67 PolarHBondContact N-O 2.9Å; Q65-V67 HydrophobicContact CG-CG1 3.86Å
68L93Very high95.2Very high116 Ų11668.7 Ų68.761%0.60739%0.385SS*.EExtended strand (participates in β ladder)trans-74.5128.5166.9-68.2177.6000109.7R32R32-L68 HydrophobicContact CG-CB 4.26Å
69S93.5Very high95.3Very high6 Ų669 Ų694%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-133.8149.1-175.3170.90000110.2V30 P31 R32 W71 M73V30-S69 PolarHBondContact O-N 3.11Å; V30-S69 VanDerWaalsContact O-O 3.05Å; P31-S69 CarbonylContact C-O 3.44Å; P31-S69 WeakPolarHBondContact CA-O 3.41Å; R32-S69 PolarHBondContact N-O 2.99Å; S69-W71 WeakPolarHBondContact CB-O 3.45Å; S69-W71 PolarHBondContact O-N 3.42Å; S69-W71 PolarHBondContact OG-N 3.4Å; S69-W71 PolarHBondContact OG-O 3.17Å; S69-M73 WeakPolarHBondContact OG-CE 3.49Å
70P93.2Very high95.3Very high73 Ų7370 Ų7047%0.47438%0.383SS..SBendtrans-59.4-29.9166.9-22.234.4000112.6
71W91.5Very high95.4Very high194 Ų19469.9 Ų69.974%0.73540%0.395SS*.SBendtrans-119.6149.6-174.8-48.7123.5000112S69 M73S69-W71 WeakPolarHBondContact CB-O 3.45Å; S69-W71 PolarHBondContact O-N 3.42Å; S69-W71 PolarHBondContact OG-N 3.4Å; S69-W71 PolarHBondContact OG-O 3.17Å; W71-M73 PolarHBondContact O-N 2.78Å
72L92.9Very high95.4Very high80 Ų8070 Ų7042%0.41940%0.398SS..  trans-68.7118.7169.5-179.864.4000108.4G29 P31 L46G29-L72 WeakPolarHBondContact O-CA 3.33Å; P31-L72 HydrophobicContact CG-CB 3.77Å; P31-L72 HydrophobicContact CG-CD1 4.39Å; L46-L72 HydrophobicContact CD1-CD1 3.85Å; L46-L72 HydrophobicContact CD1-CD2 4.42Å
73M94.9Very high95.6Very high103 Ų10366.3 Ų66.351%0.50739%0.392SS..EExtended strand (participates in β ladder)trans-127138.1174.7-62.1-171.3-69.700109L28 G29 S69 W71L28-M73 CarbonylContact C-O 3.48Å; L28-M73 WeakPolarHBondContact CA-O 3.42Å; G29-M73 PolarHBondContact N-O 3.13Å; G29-M73 PolarHBondContact O-N 2.71Å; S69-M73 WeakPolarHBondContact OG-CE 3.49Å; W71-M73 PolarHBondContact O-N 2.78Å
74I96.9Very high95.6Very high36 Ų3671.2 Ų71.219%0.18541%0.41CS..EExtended strand (participates in β ladder)trans-139.8138.8171.4-174.6169.4000108.2T5 L26 L27 L28 L46T5-I74 HydrophobicContact CG2-CB 4.37Å; T5-I74 HydrophobicContact CG2-CD1 4.48Å; T5-I74 HydrophobicContact CG2-CG1 3.81Å; T5-I74 HydrophobicContact CG2-CG2 4.14Å; T5-I74 VanDerWaalsContact OG1-CG2 3.3Å; T5-I74 WeakPolarHBondContact OG1-CG2 3.48Å; L26-I74 HydrophobicContact CD1-CD1 4.21Å; L26-I74 HydrophobicContact CD1-CG1 4.02Å; L27-I74 CarbonylContact O-C 3.57Å; L27-I74 WeakPolarHBondContact O-CA 3.48Å; L28-I74 HydrophobicContact CD1-CB 4.28Å; L28-I74 HydrophobicContact CD1-CG1 4.41Å; L46-I74 HydrophobicContact CB-CD1 4.01Å; L46-I74 HydrophobicContact CD2-CD1 4Å; L46-I74 HydrophobicContact CG-CD1 4.45Å
75G97.2Very high95.8Very high19 Ų1973.5 Ų73.520%0.19642%0.419CS..EExtended strand (participates in β ladder)trans-163.7-168.6-178.700000110.3L27L27-G75 PolarHBondContact N-O 3.27Å; L27-G75 PolarHBondContact O-N 2.97Å
76G97.9Very high95.9Very high20 Ų2072.2 Ų72.221%0.20641%0.413CS..EExtended strand (participates in β ladder)trans-169.8174.817700000111.9L25L25-G76 CarbonylContact O-C 3.51Å; L25-G76 WeakPolarHBondContact O-CA 3.42Å
77V98.3Very high96.1Very high64 Ų6472.4 Ų72.439%0.38841%0.407SS..EExtended strand (participates in β ladder)trans-128.6118.9175-178.40000107.1L24 L25 L27L24-V77 WeakPolarHBondContact CA-O 3.37Å; L25-V77 HydrophobicContact CB-CB 4.27Å; L25-V77 HydrophobicContact CD1-CB 4.45Å; L25-V77 PolarHBondContact N-O 2.94Å; L25-V77 PolarHBondContact O-N 3.05Å; L27-V77 HydrophobicContact CD1-CG2 4.18Å
78A98.5Very high96.3Very high23 Ų2370.2 Ų70.219%0.1939%0.393CS..EExtended strand (participates in β ladder)trans-98.9139.4171.300000109.3V9 L10 L13 N23 L24V9-A78 HydrophobicContact CG1-CB 4.03Å; L10-A78 HydrophobicContact CD2-CB 3.93Å; L13-A78 HydrophobicContact CD1-CB 3.82Å; L13-A78 HydrophobicContact CG-CB 4.27Å; N23-A78 CarbonylContact O-C 3.47Å; L24-A78 HydrophobicContact CD1-CB 4.02Å
79T98.1Very high96.6Very high66 Ų6668.8 Ų68.841%0.40538%0.384SS..EExtended strand (participates in β ladder)trans-140.6135.2178.9-53.50000108.9D22 N23D22-T79 PolarHBondContact N-O 3.49Å; N23-T79 PolarHBondContact N-O 2.97Å; N23-T79 PolarHBondContact O-N 3.41Å
80S98.2Very high96.8Very high28 Ų2869.8 Ų69.820%0.19639%0.39CS..  trans-136.6142.6176.6-169.40000109.4V18 D20 D22V18-S80 WeakPolarHBondContact CG1-OG 3.38Å; D20-S80 VanDerWaalsContact O-CB 3.3Å; D20-S80 WeakPolarHBondContact O-CB 3.49Å; D20-S80 PolarHBondContact O-OG 2.88Å; D22-S80 WeakPolarHBondContact OD2-CA 3.48Å
81V97.8Very high97Very high126 Ų12668.2 Ų68.276%0.76438%0.377SS*.  trans-102.8114.2168.8-1790000106.6D22D22-V81 PolarHBondContact OD2-N 3.4Å
82C96.7Very high97.3Very high51 Ų5164.2 Ų64.235%0.34537%0.367SS..  trans-126.1152.3-176.250.10000110.7E86C82-E86 HydrophobicContact CB-CB 3.85Å
83S97.4Very high97.6Very high53 Ų5360.6 Ų60.637%0.37135%0.349SS..  trans-84.2165.4167.362.90000111.2S85 E86 Y87S83-S85 PolarHBondContact O-N 3.35Å; S83-S85 PolarHBondContact OG-OG 3.41Å; S83-S85 VanDerWaalsContact OG-OG 3.09Å; S83-E86 WeakPolarHBondContact CB-OE2 3.29Å; S83-E86 PolarHBondContact N-OE2 3.37Å; S83-E86 PolarHBondContact O-N 3.31Å; S83-E86 WeakPolarHBondContact OG-CG 3.4Å; S83-E86 PolarHBondContact OG-OE2 3.37Å; S83-Y87 WeakPolarHBondContact O-CD1 3.44Å
84D96Very high97.8Very high134 Ų13457.5 Ų57.572%0.71734%0.34SS*.THydrogen-bonded Turntrans-57.1-20.7179.1-63.3-2.8000114.1Y87D84-Y87 HydrophobicContact CB-CE1 4.44Å
85S96.8Very high97.9Very high95 Ų9559.2 Ų59.266%0.66435%0.352SS*.THydrogen-bonded Turntrans-86.5-10.1176.651.30000114.7S83S83-S85 PolarHBondContact O-N 3.35Å; S83-S85 PolarHBondContact OG-OG 3.41Å; S83-S85 VanDerWaalsContact OG-OG 3.09Å
86E97.5Very high97.9Very high91 Ų9160 Ų6043%0.42536%0.36SS..THydrogen-bonded Turntrans-101.4-9.2-172.9-72.4170.9117.800113.2C82 S83 H160C82-E86 HydrophobicContact CB-CB 3.85Å; S83-E86 WeakPolarHBondContact CB-OE2 3.29Å; S83-E86 PolarHBondContact N-OE2 3.37Å; S83-E86 PolarHBondContact O-N 3.31Å; S83-E86 WeakPolarHBondContact OG-CG 3.4Å; S83-E86 PolarHBondContact OG-OE2 3.37Å; E86-H160 PolarHBondContact O-CE1 2.92Å; E86-H160 PolarHBondContact O-NE2 3.25Å
87Y97.9Very high98Very high74 Ų7459.5 Ų59.529%0.2935%0.352SS..  trans-121.3158.5173.773.2-96.6000111.7M16 S83 D84 M89M16-Y87 HydrophobicContact CE-CD2 4.37Å; M16-Y87 CarbonylContact O-C 3.53Å; M16-Y87 VanDerWaalsContact O-CA 3.22Å; M16-Y87 WeakPolarHBondContact O-CA 3.31Å; M16-Y87 WeakPolarHBondContact O-CB 3.28Å; S83-Y87 WeakPolarHBondContact O-CD1 3.44Å; D84-Y87 HydrophobicContact CB-CE1 4.44Å; Y87-M89 HydrophobicContact CD2-CG 4.36Å; Y87-M89 HydrophobicContact CD2-SD 4.21Å; Y87-M89 HydrophobicContact CE2-CG 3.77Å; Y87-M89 HydrophobicContact CE2-SD 3.6Å; Y87-M89 VanDerWaalsContact CE2-SD 3.6Å
88I98.4Very high98Very high23 Ų2356.4 Ų56.412%0.11833%0.334CS..  trans-117.8121.8177.9-64.7169000107.4M16 M159 A164M16-I88 WeakPolarHBondContact CE-O 3.4Å; M16-I88 PolarHBondContact O-N 3.46Å; I88-M159 HydrophobicContact CD1-CB 3.69Å; I88-M159 HydrophobicContact CD1-CE 4.03Å; I88-A164 HydrophobicContact CD1-CB 4.32Å; I88-A164 WeakPolarHBondContact CG2-O 3.5Å
89M98Very high98Very high86 Ų8655.3 Ų55.342%0.42433%0.325SS..  trans-68.1136.2174.4-73.4-62.8-69.800110.3M16 Y87 D91M16-M89 HydrophobicContact CE-SD 4.48Å; Y87-M89 HydrophobicContact CD2-CG 4.36Å; Y87-M89 HydrophobicContact CD2-SD 4.21Å; Y87-M89 HydrophobicContact CE2-CG 3.77Å; Y87-M89 HydrophobicContact CE2-SD 3.6Å; Y87-M89 VanDerWaalsContact CE2-SD 3.6Å; M89-D91 VanDerWaalsContact CB-OD1 3.26Å; M89-D91 WeakPolarHBondContact CB-OD1 3.5Å; M89-D91 PolarHBondContact O-N 3.3Å; M89-D91 VanDerWaalsContact O-N 3.11Å
90P98Very high98Very high26 Ų2652.2 Ų52.217%0.16931%0.305CS..THydrogen-bonded Turntrans-84.326-174.736.4-38.4000113M16 L182 V185 Q186M16-P90 HydrophobicContact SD-CG 4.29Å; P90-L182 HydrophobicContact CB-CD1 3.87Å; P90-L182 WeakPolarHBondContact O-CD1 3.46Å; P90-V185 HydrophobicContact CG-CG2 4.49Å; P90-V185 WeakPolarHBondContact O-CG2 3.48Å; P90-Q186 PolarHBondContact O-NE2 3.39Å
91D98.4Very high98.1Very high40 Ų4050.9 Ų50.921%0.21430%0.296CS..THydrogen-bonded Turntrans-12710.6-166.465.7-2.2000115.1M89 V185 Q186 A187M89-D91 VanDerWaalsContact CB-OD1 3.26Å; M89-D91 WeakPolarHBondContact CB-OD1 3.5Å; M89-D91 PolarHBondContact O-N 3.3Å; M89-D91 VanDerWaalsContact O-N 3.11Å; D91-V185 VanDerWaalsContact CB-O 3.31Å; D91-V185 WeakPolarHBondContact CB-O 3.25Å; D91-Q186 VanDerWaalsContact CA-OE1 3.29Å; D91-Q186 PolarHBondContact O-OE1 3.12Å; D91-A187 WeakPolarHBondContact O-CB 3.45Å; D91-A187 PolarHBondContact O-N 3.26Å
92Q98.2Very high98.1Very high111 Ų11145.1 Ų45.152%0.51926%0.261SS..  trans-104.415.6-173.6-56.8-59.7-45.500114.5A94 H165Q92-A94 PolarHBondContact O-N 2.79Å; Q92-H165 CarbonylContact C-O 3.6Å; Q92-H165 WeakPolarHBondContact CA-O 3.37Å; Q92-H165 HydrophobicContact CB-CB 4.28Å; Q92-H165 WeakPolarHBondContact CB-O 3.31Å; Q92-H165 PolarHBondContact N-O 3.19Å; Q92-H165 VanDerWaalsContact N-O 3.11Å; Q92-H165 WeakPolarHBondContact O-CB 3.25Å
93A98.6Very high98.2Very high4 Ų443.2 Ų43.23%0.03325%0.247CC..  trans-55.8135.7179.300000112Q186 L191 F193 V232A93-Q186 VanDerWaalsContact CB-CD 3.5Å; A93-Q186 HydrophobicContact CB-CG 3.97Å; A93-L191 HydrophobicContact CB-CD2 4.04Å; A93-L191 VanDerWaalsContact O-CD2 3.23Å; A93-L191 WeakPolarHBondContact O-CD2 3.5Å; A93-F193 HydrophobicContact CB-CE1 4.08Å; A93-F193 HydrophobicContact CB-CZ 4.18Å; A93-V232 HydrophobicContact CB-CG1 3.8Å; A93-V232 HydrophobicContact CB-CG2 4.33Å
94A98.4Very high98.3Very high38 Ų3841 Ų4131%0.31423%0.231SC..  trans-118.4146.6-179.800000111.3Q92 G96 D97 V259Q92-A94 PolarHBondContact O-N 2.79Å; A94-G96 PolarHBondContact O-N 2.97Å; A94-D97 PolarHBondContact N-OD2 2.99Å; A94-D97 WeakPolarHBondContact O-CB 3.26Å; A94-D97 PolarHBondContact O-N 2.69Å; A94-D97 VanDerWaalsContact O-N 3.1Å; A94-V259 WeakPolarHBondContact O-CB 3.36Å; A94-V259 VanDerWaalsContact O-CG1 3.26Å; A94-V259 WeakPolarHBondContact O-CG1 3.4Å
95V98.6Very high98.4Very high72 Ų7234.8 Ų34.844%0.43620%0.198SC..THydrogen-bonded Turntrans-59.8130.6171.9174.60000109.2L191 E261V95-L191 HydrophobicContact CG2-CB 4.21Å; V95-E261 HydrophobicContact CG1-CB 4.11Å; V95-E261 HydrophobicContact CG2-CB 4.15Å
96G98.5Very high98.5Very high36 Ų3630.3 Ų30.337%0.37117%0.167SC..THydrogen-bonded Turntrans102.4-19.6-175.600000113.8A94 R235 V259A94-G96 PolarHBondContact O-N 2.97Å; G96-R235 PolarHBondContact O-NE 2.73Å; G96-R235 PolarHBondContact O-NH2 3.43Å; G96-R235 VanDerWaalsContact O-NH2 3.14Å; G96-V259 PolarHBondContact N-O 2.82Å
97D98.8Very high98.6Very high8 Ų826 Ų264%0.04315%0.147CC..  trans-58.5165.5169.9-70.2-17.5000111.4A94 H165 V232 L233 V259A94-D97 PolarHBondContact N-OD2 2.99Å; A94-D97 WeakPolarHBondContact O-CB 3.26Å; A94-D97 PolarHBondContact O-N 2.69Å; A94-D97 VanDerWaalsContact O-N 3.1Å; D97-H165 VanDerWaalsContact CG-ND1 3.29Å; D97-H165 IonicContact OD1-CE1 3.47Å; D97-H165 PolarHBondContact OD1-CE1 3.04Å; D97-H165 IonicContact OD1-ND1 2.94Å; D97-H165 PolarHBondContact OD1-ND1 2.91Å; D97-H165 IonicContact OD2-CE1 3.73Å; D97-H165 IonicContact OD2-CG 3.62Å; D97-H165 IonicContact OD2-ND1 2.73Å; D97-H165 PolarHBondContact OD2-ND1 3.22Å; D97-V232 HydrophobicContact CB-CG1 3.66Å; D97-V232 VanDerWaalsContact OD2-CG1 3.3Å; D97-V232 WeakPolarHBondContact OD2-CG1 3.41Å; D97-L233 WeakPolarHBondContact CA-O 3.43Å; D97-L233 WeakPolarHBondContact CB-O 3.5Å; D97-V259 HydrophobicContact CB-CB 3.94Å; D97-V259 HydrophobicContact CB-CG2 3.68Å; D97-V259 PolarHBondContact O-N 3.26Å
98V98.9Very high98.6Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-122.4158.5173.8-61.80000111.4V100 V232 L233 R235 A238 I255 G257V98-V100 HydrophobicContact CG2-CG2 4.41Å; V98-V232 WeakPolarHBondContact O-CA 3.37Å; V98-L233 HydrophobicContact CG2-CB 4.47Å; V98-L233 PolarHBondContact N-O 3.09Å; V98-L233 PolarHBondContact O-N 2.81Å; V98-R235 HydrophobicContact CG1-CB 4.16Å; V98-R235 HydrophobicContact CG1-CG 4.06Å; V98-R235 VanDerWaalsContact CG1-NH2 3.33Å; V98-A238 HydrophobicContact CG2-CB 3.24Å; V98-I255 HydrophobicContact CB-CG2 3.85Å; V98-I255 HydrophobicContact CG1-CG2 4.16Å; V98-I255 HydrophobicContact CG2-CG2 4.19Å; V98-G257 CarbonylContact C-O 3.56Å; V98-G257 WeakPolarHBondContact CA-O 3.29Å; V98-G257 WeakPolarHBondContact CB-O 3.45Å
99L98.9Very high98.6Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-100122175.6-57.8175.4000108.9F193 I195 L230 I231 V232 I255 I256 G257 V259L99-F193 HydrophobicContact CD1-CB 3.74Å; L99-F193 HydrophobicContact CD1-CD2 4.24Å; L99-F193 HydrophobicContact CD1-CG 3.94Å; L99-F193 HydrophobicContact CD2-CD1 4.29Å; L99-F193 HydrophobicContact CD2-CD2 4.05Å; L99-F193 HydrophobicContact CD2-CE1 4.41Å; L99-F193 HydrophobicContact CD2-CE2 4.16Å; L99-F193 HydrophobicContact CD2-CG 4.13Å; L99-F193 HydrophobicContact CD2-CZ 4.34Å; L99-I195 HydrophobicContact CD1-CG1 3.94Å; L99-L230 HydrophobicContact CB-CD1 4.06Å; L99-I231 CarbonylContact C-O 3.57Å; L99-I231 WeakPolarHBondContact CA-O 3.44Å; L99-V232 HydrophobicContact CD2-CG2 3.84Å; L99-I255 CarbonylContact O-C 3.32Å; L99-I255 WeakPolarHBondContact O-CA 3.46Å; L99-I256 HydrophobicContact CB-CG1 4.1Å; L99-I256 WeakPolarHBondContact O-CG1 3.22Å; L99-I256 PolarHBondContact O-N 3.08Å; L99-G257 PolarHBondContact N-O 3.44Å; L99-G257 PolarHBondContact O-N 3.1Å; L99-V259 HydrophobicContact CD2-CG2 4.13Å
100V98.9Very high98.6Very high0 Ų019.8 Ų19.80%012%0.119CC..EExtended strand (participates in β ladder)trans-110129.6176174.40000110V98 L230 I231 L233 A238 F241 W254 I255V98-V100 HydrophobicContact CG2-CG2 4.41Å; V100-L230 CarbonylContact O-C 3.57Å; V100-L230 WeakPolarHBondContact O-CA 3.34Å; V100-I231 PolarHBondContact N-O 3.28Å; V100-I231 PolarHBondContact O-N 3.06Å; V100-L233 HydrophobicContact CB-CD1 4.12Å; V100-L233 HydrophobicContact CG2-CD1 3.8Å; V100-A238 HydrophobicContact CG2-CB 4.03Å; V100-F241 HydrophobicContact CG1-CD1 3.94Å; V100-F241 HydrophobicContact CG1-CE1 3.8Å; V100-W254 CarbonylContact C-O 3.56Å; V100-W254 VanDerWaalsContact CA-O 3.25Å; V100-W254 WeakPolarHBondContact CA-O 3.44Å; V100-I255 HydrophobicContact CG2-CG1 3.97Å
101L98.9Very high98.6Very high1 Ų121.1 Ų21.11%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-107.4126.9174.2-175.264.1000110.1K103 L105 V170 L175 P199 L229 S253 W254 I256L101-K103 WeakPolarHBondContact CD2-O 3.24Å; L101-K103 VanDerWaalsContact CG-O 3.31Å; L101-K103 WeakPolarHBondContact CG-O 3.28Å; L101-L105 HydrophobicContact CD2-CD1 4.47Å; L101-L105 HydrophobicContact CD2-CD2 3.9Å; L101-L105 HydrophobicContact CD2-CG 4Å; L101-V170 HydrophobicContact CD1-CG2 3.88Å; L101-L175 HydrophobicContact CD1-CD1 4.35Å; L101-P199 HydrophobicContact CD2-CG 3.84Å; L101-L229 WeakPolarHBondContact CA-O 3.47Å; L101-S253 WeakPolarHBondContact O-CA 3.21Å; L101-S253 WeakPolarHBondContact O-CB 3.29Å; L101-W254 PolarHBondContact N-O 3.36Å; L101-W254 PolarHBondContact O-N 3.17Å; L101-I256 HydrophobicContact CB-CD1 3.81Å; L101-I256 HydrophobicContact CB-CG1 4.04Å; L101-I256 HydrophobicContact CB-CG2 3.85Å; L101-I256 HydrophobicContact CD2-CD1 4.27Å
102T98.8Very high98.6Very high5 Ų520 Ų203%0.03112%0.122CC..SBendtrans-96.2-5.3-171.168.70000115.6A155 G228 L229 I231 F241 L245T102-A155 HydrophobicContact CG2-CB 3.96Å; T102-G228 WeakPolarHBondContact OG1-CA 3.48Å; T102-L229 HydrophobicContact CG2-CB 4.1Å; T102-L229 PolarHBondContact N-O 2.92Å; T102-L229 PolarHBondContact OG1-N 3.47Å; T102-I231 HydrophobicContact CG2-CD1 3.64Å; T102-I231 HydrophobicContact CG2-CG1 4.41Å; T102-F241 HydrophobicContact CG2-CE1 4.1Å; T102-F241 HydrophobicContact CG2-CZ 4.21Å; T102-L245 HydrophobicContact CG2-CD2 3.86Å
103K98.7Very high98.6Very high11 Ų1114.8 Ų14.85%0.04810%0.097CC..SBendtrans-142.4150.6173.6-64.6-170.1-166.9172.60110.9L101 S147 H150 N152 S226 G227L101-K103 WeakPolarHBondContact CD2-O 3.24Å; L101-K103 VanDerWaalsContact CG-O 3.31Å; L101-K103 WeakPolarHBondContact CG-O 3.28Å; K103-S147 WeakPolarHBondContact CD-O 3.39Å; K103-S147 WeakPolarHBondContact CE-O 3.49Å; K103-S147 PolarHBondContact NZ-O 2.86Å; K103-S147 VanDerWaalsContact NZ-O 3.08Å; K103-H150 WeakPolarHBondContact CE-O 3.27Å; K103-H150 PolarHBondContact NZ-O 3.25Å; K103-N152 VanDerWaalsContact CE-OD1 3.24Å; K103-N152 WeakPolarHBondContact CE-OD1 3.44Å; K103-S226 PolarHBondContact NZ-O 3.42Å; K103-G227 PolarHBondContact NZ-O 2.75Å
104P98.7Very high98.6Very high6 Ų617.7 Ų17.74%0.03911%0.108CC..  trans-69.7156177.632.9-38.5000111.6P199 L201 W254 V278 I283P104-P199 CarbonylContact C-O 3.58Å; P104-P199 WeakPolarHBondContact CA-O 3.43Å; P104-L201 HydrophobicContact CB-CD2 4.14Å; P104-L201 HydrophobicContact CB-CG 4.07Å; P104-L201 HydrophobicContact CG-CD2 3.56Å; P104-L201 HydrophobicContact CG-CG 3.86Å; P104-W254 HydrophobicContact CB-CH2 4.06Å; P104-W254 HydrophobicContact CB-CZ3 4.39Å; P104-W254 HydrophobicContact CG-CH2 4.44Å; P104-V278 HydrophobicContact CB-CB 4.15Å; P104-V278 HydrophobicContact CB-CG1 4.32Å; P104-V278 HydrophobicContact CB-CG2 4.01Å; P104-I283 HydrophobicContact CG-CD1 3.79Å
105L98.9Very high98.6Very high4 Ų422.4 Ų22.42%0.02112%0.118CC..BIsolated β-bridgetrans-85168.8173.4-54.7174.2000111.7L101 L175 L198 P199 L201 L217 E224L101-L105 HydrophobicContact CD2-CD1 4.47Å; L101-L105 HydrophobicContact CD2-CD2 3.9Å; L101-L105 HydrophobicContact CD2-CG 4Å; L105-L175 HydrophobicContact CD1-CB 4.37Å; L105-L175 HydrophobicContact CD1-CD2 3.9Å; L105-L175 HydrophobicContact CD2-CB 4.13Å; L105-L198 HydrophobicContact CD1-CB 4.42Å; L105-L198 HydrophobicContact CD1-CD2 3.84Å; L105-P199 PolarHBondContact N-O 2.99Å; L105-L201 PolarHBondContact O-N 3Å; L105-L217 HydrophobicContact CB-CD1 3.77Å; L105-E224 WeakPolarHBondContact CA-OE1 3.39Å; L105-E224 WeakPolarHBondContact CB-OE1 3.38Å; L105-E224 HydrophobicContact CD2-CG 3.89Å
106G98.6Very high98.5Very high0 Ų021.2 Ų21.20%011%0.106CC..  trans10015.8172.200000114.5V109 A110 E224G106-V109 PolarHBondContact O-N 3.01Å; G106-A110 PolarHBondContact O-N 3.11Å; G106-E224 VanDerWaalsContact N-CD 3.34Å; G106-E224 PolarHBondContact N-OE1 3.42Å; G106-E224 PolarHBondContact N-OE2 2.91Å; G106-E224 VanDerWaalsContact N-OE2 3.13Å
107T98.5Very high98.5Very high1 Ų120.5 Ų20.51%0.0069%0.094CC..Hα-helixtrans-64.1-41.6177.960.30000111.5V109 A110 V111 A144 M148 L201 E224 T225T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 3.49Å; T107-A110 WeakPolarHBondContact O-CB 3.31Å; T107-A110 PolarHBondContact O-N 3.48Å; T107-V111 WeakPolarHBondContact O-CG2 3.43Å; T107-V111 PolarHBondContact O-N 3.2Å; T107-A144 HydrophobicContact CG2-CB 4.34Å; T107-M148 HydrophobicContact CG2-CG 3.95Å; T107-L201 HydrophobicContact CG2-CD1 4.4Å; T107-E224 WeakPolarHBondContact CB-OE2 3.38Å; T107-E224 PolarHBondContact N-OE2 3.45Å; T107-E224 WeakPolarHBondContact OG1-CA 3.46Å; T107-E224 PolarHBondContact OG1-OE2 2.96Å; T107-T225 PolarHBondContact OG1-N 3.28Å
108Q98.3Very high98.4Very high53 Ų5325.2 Ų25.225%0.24812%0.118CC..Hα-helixtrans-62.2-41.5174.6179.264.65200111.9A110 V111 S112 P223Q108-A110 VanDerWaalsContact C-N 3.34Å; Q108-A110 PolarHBondContact O-N 3.22Å; Q108-V111 PolarHBondContact O-N 2.83Å; Q108-S112 PolarHBondContact NE2-OG 3.48Å; Q108-S112 VanDerWaalsContact O-CB 3.3Å; Q108-S112 WeakPolarHBondContact O-CB 3.16Å; Q108-S112 PolarHBondContact O-N 3.44Å; Q108-S112 PolarHBondContact O-OG 3.45Å; Q108-P223 HydrophobicContact CB-CB 4.47Å; Q108-P223 WeakPolarHBondContact CB-O 3.17Å
109V98.4Very high98.3Very high0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-59.7-48.4176.3178.80000110.1G106 T107 V111 S112 V113 I207 L215 L217G106-V109 PolarHBondContact O-N 3.01Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 3.49Å; V109-V111 PolarHBondContact O-N 3.04Å; V109-S112 PolarHBondContact O-N 3.46Å; V109-V113 VanDerWaalsContact O-CG1 3.26Å; V109-V113 WeakPolarHBondContact O-CG1 3.2Å; V109-V113 PolarHBondContact O-N 3.49Å; V109-I207 HydrophobicContact CG1-CB 3.88Å; V109-I207 HydrophobicContact CG1-CD1 4.24Å; V109-I207 HydrophobicContact CG1-CG2 3.57Å; V109-L215 HydrophobicContact CB-CD1 4.29Å; V109-L215 HydrophobicContact CG1-CD1 4.44Å; V109-L215 HydrophobicContact CG2-CB 4.19Å; V109-L215 HydrophobicContact CG2-CD1 3.92Å; V109-L217 HydrophobicContact CG2-CB 4.04Å; V109-L217 HydrophobicContact CG2-CD2 3.87Å; V109-L217 HydrophobicContact CG2-CG 4.46Å
110A98.6Very high98.2Very high0 Ų036.2 Ų36.20%017%0.173CC..Hα-helixtrans-56.6-48.1178.600000112.6G106 T107 Q108 V113 Y114 L140 A144G106-A110 PolarHBondContact O-N 3.11Å; T107-A110 WeakPolarHBondContact O-CB 3.31Å; T107-A110 PolarHBondContact O-N 3.48Å; Q108-A110 VanDerWaalsContact C-N 3.34Å; Q108-A110 PolarHBondContact O-N 3.22Å; A110-V113 WeakPolarHBondContact O-CG1 3.46Å; A110-Y114 VanDerWaalsContact O-CB 3.28Å; A110-Y114 WeakPolarHBondContact O-CB 3.44Å; A110-Y114 PolarHBondContact O-N 2.69Å; A110-Y114 VanDerWaalsContact O-N 3.15Å; A110-L140 HydrophobicContact CB-CD1 3.96Å; A110-L140 HydrophobicContact CB-CD2 4.18Å; A110-L140 HydrophobicContact CB-CG 3.62Å; A110-A144 HydrophobicContact CB-CB 3.48Å; A110-A144 VanDerWaalsContact CB-CB 3.48Å
111V98.1Very high98Very high54 Ų5437.1 Ų37.133%0.32718%0.179SC..Hα-helixtrans-66.7-46.5179.51750000111.2T107 Q108 V109 Y114 Y115 F141 M148T107-V111 WeakPolarHBondContact O-CG2 3.43Å; T107-V111 PolarHBondContact O-N 3.2Å; Q108-V111 PolarHBondContact O-N 2.83Å; V109-V111 PolarHBondContact O-N 3.04Å; V111-Y114 PolarHBondContact O-N 2.66Å; V111-Y115 PolarHBondContact O-N 3.34Å; V111-Y115 VanDerWaalsContact O-N 3.07Å; V111-F141 HydrophobicContact CG2-CD2 4.39Å; V111-F141 HydrophobicContact CG2-CE2 4.09Å; V111-M148 HydrophobicContact CG2-CE 4.13Å
112S98.1Very high97.7Very high17 Ų1742.1 Ų42.112%0.11921%0.212CC..Hα-helixtrans-62.2-48.2179.8-71.90000112.3Q108 V109 Y114 Y115 W116Q108-S112 PolarHBondContact NE2-OG 3.48Å; Q108-S112 VanDerWaalsContact O-CB 3.3Å; Q108-S112 WeakPolarHBondContact O-CB 3.16Å; Q108-S112 PolarHBondContact O-N 3.44Å; Q108-S112 PolarHBondContact O-OG 3.45Å; V109-S112 PolarHBondContact O-N 3.46Å; S112-Y114 VanDerWaalsContact C-N 3.32Å; S112-Y114 PolarHBondContact O-N 3.4Å; S112-Y115 PolarHBondContact O-N 3.43Å; S112-W116 WeakPolarHBondContact O-CB 3.49Å; S112-W116 VanDerWaalsContact O-CD2 3.29Å; S112-W116 PolarHBondContact O-N 3.37Å
113V98.1Very high97.5Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-66.2-36.5-17968.50000112V109 A110 W116 M117 W124 L128 V137 L140 I207V109-V113 VanDerWaalsContact O-CG1 3.26Å; V109-V113 WeakPolarHBondContact O-CG1 3.2Å; V109-V113 PolarHBondContact O-N 3.49Å; A110-V113 WeakPolarHBondContact O-CG1 3.46Å; V113-W116 PolarHBondContact O-N 2.87Å; V113-M117 WeakPolarHBondContact O-CB 3.46Å; V113-M117 PolarHBondContact O-N 3.14Å; V113-W124 HydrophobicContact CG2-CE3 3.91Å; V113-W124 HydrophobicContact CG2-CZ3 3.83Å; V113-L128 HydrophobicContact CB-CD1 4.47Å; V113-L128 HydrophobicContact CG2-CD1 3.62Å; V113-V137 HydrophobicContact CG1-CG1 3.84Å; V113-V137 HydrophobicContact CG1-CG2 4.4Å; V113-V137 HydrophobicContact CG2-CG1 4.21Å; V113-V137 HydrophobicContact CG2-CG2 4.03Å; V113-L140 HydrophobicContact CG1-CD2 4.29Å; V113-I207 HydrophobicContact CB-CD1 4.29Å; V113-I207 HydrophobicContact CG1-CD1 3.79Å; V113-I207 HydrophobicContact CG2-CD1 4.26Å
114Y98.4Very high97.4Very high65 Ų6543.3 Ų43.326%0.25522%0.219SC..Hα-helixtrans-63.6-46.8177.7-176.6-102.1000110.9A110 V111 S112 M117 L118 V137 K138 F141A110-Y114 VanDerWaalsContact O-CB 3.28Å; A110-Y114 WeakPolarHBondContact O-CB 3.44Å; A110-Y114 PolarHBondContact O-N 2.69Å; A110-Y114 VanDerWaalsContact O-N 3.15Å; V111-Y114 PolarHBondContact O-N 2.66Å; S112-Y114 VanDerWaalsContact C-N 3.32Å; S112-Y114 PolarHBondContact O-N 3.4Å; Y114-M117 HydrophobicContact CD2-CE 3.81Å; Y114-M117 HydrophobicContact CE2-CE 4Å; Y114-M117 PolarHBondContact O-N 2.68Å; Y114-L118 HydrophobicContact CD1-CD1 4.02Å; Y114-L118 HydrophobicContact CE1-CD1 3.55Å; Y114-L118 HydrophobicContact CE1-CG 4.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.21Å; Y114-L118 PolarHBondContact O-N 2.82Å; Y114-L118 VanDerWaalsContact O-N 3.08Å; Y114-V137 HydrophobicContact CD2-CG1 4.29Å; Y114-K138 HydrophobicContact CE2-CG 4.11Å; Y114-F141 HydrophobicContact CD1-CD1 4.05Å; Y114-F141 AromaticContact CD1-CD2 3.69Å; Y114-F141 HydrophobicContact CD1-CD2 3.69Å; Y114-F141 HydrophobicContact CD1-CE1 4.1Å; Y114-F141 AromaticContact CD1-CE2 3.73Å; Y114-F141 HydrophobicContact CD1-CE2 3.73Å; Y114-F141 AromaticContact CD1-CG 3.85Å; Y114-F141 HydrophobicContact CD1-CG 3.85Å; Y114-F141 AromaticContact CD1-CZ 3.95Å; Y114-F141 HydrophobicContact CD1-CZ 3.95Å; Y114-F141 HydrophobicContact CD2-CB 3.72Å; Y114-F141 HydrophobicContact CD2-CD1 4.15Å; Y114-F141 HydrophobicContact CD2-CD2 4.29Å; Y114-F141 AromaticContact CD2-CG 3.79Å; Y114-F141 HydrophobicContact CD2-CG 3.79Å; Y114-F141 HydrophobicContact CE1-CD1 4.07Å; Y114-F141 HydrophobicContact CE1-CD2 4.47Å; Y114-F141 AromaticContact CE1-CE1 3.96Å; Y114-F141 HydrophobicContact CE1-CE1 3.96Å; Y114-F141 HydrophobicContact CE1-CE2 4.36Å; Y114-F141 HydrophobicContact CE1-CG 4.33Å; Y114-F141 HydrophobicContact CE1-CZ 4.11Å; Y114-F141 HydrophobicContact CE2-CB 4.4Å; Y114-F141 HydrophobicContact CE2-CD1 4.18Å; Y114-F141 HydrophobicContact CE2-CG 4.29Å; Y114-F141 HydrophobicContact CG-CB 3.85Å; Y114-F141 HydrophobicContact CG-CD1 4.09Å; Y114-F141 AromaticContact CG-CD2 3.57Å; Y114-F141 HydrophobicContact CG-CD2 3.57Å; Y114-F141 HydrophobicContact CG-CE2 4.12Å; Y114-F141 AromaticContact CG-CG 3.55Å; Y114-F141 HydrophobicContact CG-CG 3.55Å
115Y97.8Very high97.1Very high137 Ų13745.8 Ų45.854%0.53724%0.237SC..Hα-helixtrans-61.4-46.5175.3179.9-103.3000112.2V111 S112 M117 L118 E119V111-Y115 PolarHBondContact O-N 3.34Å; V111-Y115 VanDerWaalsContact O-N 3.07Å; S112-Y115 PolarHBondContact O-N 3.43Å; Y115-M117 VanDerWaalsContact C-N 3.27Å; Y115-M117 PolarHBondContact O-N 2.94Å; Y115-L118 PolarHBondContact O-N 3.19Å; Y115-E119 HydrophobicContact CD2-CG 4.48Å; Y115-E119 HydrophobicContact CE1-CG 4.12Å; Y115-E119 HydrophobicContact CE2-CG 3.99Å; Y115-E119 PolarHBondContact O-N 3.28Å; Y115-E119 VanDerWaalsContact O-N 3.12Å
116W98.1Very high96.7Very high48 Ų4848.3 Ų48.318%0.18226%0.263CS..Hα-helixtrans-61.6-33.1177.9-68.9-17.5000113.8S112 V113 D120 S121 W124 L128 L211 L215S112-W116 WeakPolarHBondContact O-CB 3.49Å; S112-W116 VanDerWaalsContact O-CD2 3.29Å; S112-W116 PolarHBondContact O-N 3.37Å; V113-W116 PolarHBondContact O-N 2.87Å; W116-D120 PolarHBondContact O-N 2.84Å; W116-S121 WeakPolarHBondContact CA-OG 3.46Å; W116-S121 WeakPolarHBondContact CB-OG 3.31Å; W116-S121 PolarHBondContact O-N 2.81Å; W116-S121 PolarHBondContact O-OG 3.18Å; W116-W124 HydrophobicContact CB-CB 4.26Å; W116-W124 VanDerWaalsContact O-CB 3.31Å; W116-W124 WeakPolarHBondContact O-CB 3.16Å; W116-L128 HydrophobicContact CE3-CD1 4.33Å; W116-L211 HydrophobicContact CH2-CD1 4.29Å; W116-L211 HydrophobicContact CZ3-CD1 3.66Å; W116-L215 HydrophobicContact CH2-CD1 3.97Å; W116-L215 HydrophobicContact CH2-CD2 4.1Å; W116-L215 HydrophobicContact CH2-CG 4.27Å; W116-L215 HydrophobicContact CZ3-CD1 4.29Å
117M97.7Very high96.4Very high21 Ų2151.9 Ų51.910%0.10328%0.282CS..Hα-helixtrans-70.4-40.7174.7176.6-173.971.200111.8V113 Y114 Y115 D120 W124 V137 K138V113-M117 WeakPolarHBondContact O-CB 3.46Å; V113-M117 PolarHBondContact O-N 3.14Å; Y114-M117 HydrophobicContact CD2-CE 3.81Å; Y114-M117 HydrophobicContact CE2-CE 4Å; Y114-M117 PolarHBondContact O-N 2.68Å; Y115-M117 VanDerWaalsContact C-N 3.27Å; Y115-M117 PolarHBondContact O-N 2.94Å; M117-D120 PolarHBondContact O-N 3.26Å; M117-W124 HydrophobicContact CB-CD2 3.74Å; M117-W124 HydrophobicContact CB-CE3 4.01Å; M117-W124 HydrophobicContact CB-CG 4.14Å; M117-W124 HydrophobicContact CB-CH2 4.49Å; M117-W124 HydrophobicContact CB-CZ2 4.23Å; M117-W124 HydrophobicContact CB-CZ3 4.39Å; M117-W124 HydrophobicContact CG-CD2 4.04Å; M117-W124 HydrophobicContact CG-CH2 4.22Å; M117-W124 HydrophobicContact CG-CZ2 3.68Å; M117-W124 HydrophobicContact SD-CH2 4.12Å; M117-W124 HydrophobicContact SD-CZ2 3.94Å; M117-V137 HydrophobicContact CE-CB 4.35Å; M117-V137 HydrophobicContact CE-CG1 3.84Å; M117-V137 HydrophobicContact SD-CB 3.92Å; M117-V137 HydrophobicContact SD-CG1 3.83Å; M117-K138 HydrophobicContact CE-CG 4.07Å
118L97.5Very high96.3Very high107 Ų10751.9 Ų51.956%0.5628%0.282SS*.Hα-helixtrans-64.7-39.2177.9-69.3-179.5000112.4Y114 Y115 D120Y114-L118 HydrophobicContact CD1-CD1 4.02Å; Y114-L118 HydrophobicContact CE1-CD1 3.55Å; Y114-L118 HydrophobicContact CE1-CG 4.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.21Å; Y114-L118 PolarHBondContact O-N 2.82Å; Y114-L118 VanDerWaalsContact O-N 3.08Å; Y115-L118 PolarHBondContact O-N 3.19Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 2.88Å
119E96.7Very high96.1Very high123 Ų12351.4 Ų51.458%0.57529%0.287SS*.THydrogen-bonded Turntrans-85.53.7-179.7-65.5-62.6142.100113.8Y115 S121Y115-E119 HydrophobicContact CD2-CG 4.48Å; Y115-E119 HydrophobicContact CE1-CG 4.12Å; Y115-E119 HydrophobicContact CE2-CG 3.99Å; Y115-E119 PolarHBondContact O-N 3.28Å; Y115-E119 VanDerWaalsContact O-N 3.12Å; E119-S121 PolarHBondContact O-N 3.33Å
120D95.5Very high95.9Very high107 Ų10759.1 Ų59.157%0.57233%0.329SS*.THydrogen-bonded Turntrans44.738.8-171-165.734.7000113.4W116 M117 L118 S125W116-D120 PolarHBondContact O-N 2.84Å; M117-D120 PolarHBondContact O-N 3.26Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 2.88Å; D120-S125 WeakPolarHBondContact OD1-CB 3.24Å
121S95.7Very high95.8Very high20 Ų2061.8 Ų61.814%0.1435%0.345CS..  trans-63.7159-171.775.80000111.6W116 E119 S123 W124 S125W116-S121 WeakPolarHBondContact CA-OG 3.46Å; W116-S121 WeakPolarHBondContact CB-OG 3.31Å; W116-S121 PolarHBondContact O-N 2.81Å; W116-S121 PolarHBondContact O-OG 3.18Å; E119-S121 PolarHBondContact O-N 3.33Å; S121-S123 PolarHBondContact O-N 3.1Å; S121-S123 VanDerWaalsContact O-N 3.09Å; S121-S123 PolarHBondContact OG-N 3.38Å; S121-W124 WeakPolarHBondContact O-CA 3.42Å; S121-W124 WeakPolarHBondContact O-CB 3.5Å; S121-W124 PolarHBondContact O-N 3.3Å; S121-W124 PolarHBondContact OG-N 2.92Å; S121-S125 PolarHBondContact O-N 3.37Å; S121-S125 PolarHBondContact O-OG 3.39Å
122P93.4Very high95.8Very high106 Ų10659.9 Ų59.969%0.68833%0.333SS*.Hα-helixtrans-57.9-27.7175.6-26.234.9000114W124 G126P122-W124 PolarHBondContact O-N 3.04Å; P122-G126 WeakPolarHBondContact O-CA 3.17Å; P122-G126 PolarHBondContact O-N 3.46Å; P122-G126 VanDerWaalsContact O-N 3.11Å
123S93.8Very high95.7Very high22 Ų2263.4 Ų63.415%0.15435%0.353CS..Hα-helixtrans-68-26.1174.7-60.80000112.1S121 L128S121-S123 PolarHBondContact O-N 3.1Å; S121-S123 VanDerWaalsContact O-N 3.09Å; S121-S123 PolarHBondContact OG-N 3.38Å; S123-L128 WeakPolarHBondContact O-CG 3.35Å
124W96Very high95.6Very high18 Ų1865.9 Ų65.97%0.06837%0.371CS..Hα-helixtrans-86.5-69.5174.2177.1-110.7000111.7V113 W116 M117 S121 P122 G126 N127 L128 A129 I132 V137V113-W124 HydrophobicContact CG2-CE3 3.91Å; V113-W124 HydrophobicContact CG2-CZ3 3.83Å; W116-W124 HydrophobicContact CB-CB 4.26Å; W116-W124 VanDerWaalsContact O-CB 3.31Å; W116-W124 WeakPolarHBondContact O-CB 3.16Å; M117-W124 HydrophobicContact CB-CD2 3.74Å; M117-W124 HydrophobicContact CB-CE3 4.01Å; M117-W124 HydrophobicContact CB-CG 4.14Å; M117-W124 HydrophobicContact CB-CH2 4.49Å; M117-W124 HydrophobicContact CB-CZ2 4.23Å; M117-W124 HydrophobicContact CB-CZ3 4.39Å; M117-W124 HydrophobicContact CG-CD2 4.04Å; M117-W124 HydrophobicContact CG-CH2 4.22Å; M117-W124 HydrophobicContact CG-CZ2 3.68Å; M117-W124 HydrophobicContact SD-CH2 4.12Å; M117-W124 HydrophobicContact SD-CZ2 3.94Å; S121-W124 WeakPolarHBondContact O-CA 3.42Å; S121-W124 WeakPolarHBondContact O-CB 3.5Å; S121-W124 PolarHBondContact O-N 3.3Å; S121-W124 PolarHBondContact OG-N 2.92Å; P122-W124 PolarHBondContact O-N 3.04Å; W124-G126 VanDerWaalsContact C-N 3.29Å; W124-G126 PolarHBondContact O-N 3.32Å; W124-N127 PolarHBondContact O-N 3.3Å; W124-L128 HydrophobicContact CD2-CB 4.5Å; W124-L128 HydrophobicContact CE3-CB 3.59Å; W124-L128 HydrophobicContact CE3-CD1 4.32Å; W124-L128 HydrophobicContact CZ3-CB 3.81Å; W124-L128 PolarHBondContact O-N 3.4Å; W124-A129 HydrophobicContact CZ2-CB 4.49Å; W124-A129 PolarHBondContact O-N 2.96Å; W124-I132 HydrophobicContact CH2-CG2 4.22Å; W124-I132 WeakPolarHBondContact CH2-O 3.36Å; W124-I132 HydrophobicContact CZ3-CG2 3.92Å; W124-V137 HydrophobicContact CH2-CG2 3.74Å; W124-V137 HydrophobicContact CZ3-CG2 3.69Å
125S93.8Very high95.6Very high59 Ų5968.3 Ų68.341%0.41339%0.389SS..Hα-helixtrans-61-35.5-172.850.60000113.2D120 S121D120-S125 WeakPolarHBondContact OD1-CB 3.24Å; S121-S125 PolarHBondContact O-N 3.37Å; S121-S125 PolarHBondContact O-OG 3.39Å
126G90.6Very high95.6Very high56 Ų5664.5 Ų64.558%0.57738%0.375SS*.THydrogen-bonded Turntrans-82.9-28.3-178.900000115.3P122 W124P122-G126 WeakPolarHBondContact O-CA 3.17Å; P122-G126 PolarHBondContact O-N 3.46Å; P122-G126 VanDerWaalsContact O-N 3.11Å; W124-G126 VanDerWaalsContact C-N 3.29Å; W124-G126 PolarHBondContact O-N 3.32Å
127N91.3Very high95.7Very high76 Ų7662.2 Ų62.241%0.40637%0.366SS..THydrogen-bonded Turntrans-126.1-38.5-169.4-60.8-39.5000114.7W124 V131 L211W124-N127 PolarHBondContact O-N 3.3Å; N127-V131 VanDerWaalsContact O-CG2 3.22Å; N127-V131 WeakPolarHBondContact O-CG2 3.27Å; N127-L211 HydrophobicContact CB-CD2 4.17Å
128L96.3Very high95.7Very high0 Ų066.2 Ų66.20%038%0.383CS..THydrogen-bonded Turntrans-107.7-24.7-166.8-67.1175000114.2V113 W116 S123 W124 N130 V131 I132 I207 A210 L211V113-L128 HydrophobicContact CB-CD1 4.47Å; V113-L128 HydrophobicContact CG2-CD1 3.62Å; W116-L128 HydrophobicContact CE3-CD1 4.33Å; S123-L128 WeakPolarHBondContact O-CG 3.35Å; W124-L128 HydrophobicContact CD2-CB 4.5Å; W124-L128 HydrophobicContact CE3-CB 3.59Å; W124-L128 HydrophobicContact CE3-CD1 4.32Å; W124-L128 HydrophobicContact CZ3-CB 3.81Å; W124-L128 PolarHBondContact O-N 3.4Å; L128-N130 PolarHBondContact O-N 2.99Å; L128-N130 VanDerWaalsContact O-N 3.12Å; L128-V131 PolarHBondContact O-N 3Å; L128-I132 PolarHBondContact O-N 2.82Å; L128-I207 HydrophobicContact CD1-CG2 4.07Å; L128-I207 HydrophobicContact CD2-CB 4.41Å; L128-I207 HydrophobicContact CD2-CG1 4.39Å; L128-I207 HydrophobicContact CD2-CG2 3.95Å; L128-A210 HydrophobicContact CD2-CB 3.96Å; L128-L211 HydrophobicContact CD1-CD1 4.2Å; L128-L211 HydrophobicContact CD1-CD2 4.33Å; L128-L211 HydrophobicContact CD1-CG 4.49Å; L128-L211 HydrophobicContact CD2-CD2 4.24Å; L128-L211 HydrophobicContact CD2-CG 4.16Å; L128-L211 HydrophobicContact CG-CD2 4.18Å
129A93.9Very high95.7Very high43 Ų4363.3 Ų63.336%0.35537%0.372SS..THydrogen-bonded Turntrans-58.5-28.1-17800000113.4W124W124-A129 HydrophobicContact CZ2-CB 4.49Å; W124-A129 PolarHBondContact O-N 2.96Å
130N94.8Very high95.8Very high162 Ų16257.5 Ų57.587%0.86634%0.344SS*.THydrogen-bonded Turntrans-94.8-4.7175-66.2-33.3000113.9L128L128-N130 PolarHBondContact O-N 2.99Å; L128-N130 VanDerWaalsContact O-N 3.12Å
131V96.4Very high96Very high57 Ų5755 Ų5535%0.34533%0.329SS..THydrogen-bonded Turntrans-100.6-39.3-177.1174.50000111.2N127 L128 L206 A210N127-V131 VanDerWaalsContact O-CG2 3.22Å; N127-V131 WeakPolarHBondContact O-CG2 3.27Å; L128-V131 PolarHBondContact O-N 3Å; V131-L206 HydrophobicContact CG1-CD1 4.2Å; V131-L206 HydrophobicContact CG1-CD2 4.06Å; V131-L206 HydrophobicContact CG1-CG 3.85Å; V131-A210 HydrophobicContact CB-CB 4.48Å; V131-A210 HydrophobicContact CG1-CB 3.92Å; V131-A210 HydrophobicContact CG2-CB 4.05Å
132I97Very high96.1Very high13 Ų1359.2 Ų59.27%0.06735%0.346CS..SBendtrans-142.4139.8-176.5-167.2170.7000110.6W124 L128 K136 V137 I207W124-I132 HydrophobicContact CH2-CG2 4.22Å; W124-I132 WeakPolarHBondContact CH2-O 3.36Å; W124-I132 HydrophobicContact CZ3-CG2 3.92Å; L128-I132 PolarHBondContact O-N 2.82Å; I132-K136 HydrophobicContact CD1-CB 4.1Å; I132-K136 HydrophobicContact CD1-CG 3.79Å; I132-K136 HydrophobicContact CG1-CB 3.8Å; I132-K136 HydrophobicContact CG1-CG 3.93Å; I132-V137 HydrophobicContact CD1-CG2 4.23Å; I132-V137 HydrophobicContact CG1-CG2 4.27Å; I132-V137 HydrophobicContact CG2-CG2 3.69Å; I132-I207 HydrophobicContact CD1-CD1 3.81Å; I132-I207 HydrophobicContact CD1-CG1 4.12Å; I132-I207 HydrophobicContact CG2-CD1 4.38Å; I132-I207 HydrophobicContact CG2-CG1 4.12Å
133T97Very high96.4Very high91 Ų9154.3 Ų54.356%0.55831%0.314SS*.  trans-74.4152.8-179.266.70000111.6D135 K136 V137T133-D135 PolarHBondContact O-N 3.05Å; T133-K136 PolarHBondContact O-N 2.87Å; T133-K136 VanDerWaalsContact O-N 3.12Å; T133-K136 WeakPolarHBondContact OG1-CB 3.48Å; T133-K136 PolarHBondContact OG1-N 2.9Å; T133-V137 PolarHBondContact O-N 2.81Å
134S96.9Very high96.6Very high53 Ų5353.2 Ų53.237%0.37131%0.307SS..Hα-helixtrans-56.8-36.9175.8-63.90000112.4V137 K138S134-V137 PolarHBondContact O-N 2.83Å; S134-K138 WeakPolarHBondContact O-CG 3.4Å; S134-K138 PolarHBondContact O-N 2.9Å
135D98.1Very high96.7Very high116 Ų11654.3 Ų54.362%0.6232%0.315SS*.Hα-helixtrans-69-36.9179-67.1-26.2000112.3T133 K138 S139T133-D135 PolarHBondContact O-N 3.05Å; D135-K138 PolarHBondContact O-N 2.77Å; D135-K138 IonicContact OD1-NZ 3.81Å; D135-S139 WeakPolarHBondContact O-CB 3.25Å; D135-S139 PolarHBondContact O-N 3.49Å
136K98.1Very high96.9Very high57 Ų5752.7 Ų52.725%0.24830%0.302CS..Hα-helixtrans-69.1-36.1175.2-167.565.2169-172.50111.6I132 T133 S139 L140 E202I132-K136 HydrophobicContact CD1-CB 4.1Å; I132-K136 HydrophobicContact CD1-CG 3.79Å; I132-K136 HydrophobicContact CG1-CB 3.8Å; I132-K136 HydrophobicContact CG1-CG 3.93Å; T133-K136 PolarHBondContact O-N 2.87Å; T133-K136 VanDerWaalsContact O-N 3.12Å; T133-K136 WeakPolarHBondContact OG1-CB 3.48Å; T133-K136 PolarHBondContact OG1-N 2.9Å; K136-S139 PolarHBondContact O-N 3.32Å; K136-L140 WeakPolarHBondContact O-CB 3.29Å; K136-L140 PolarHBondContact O-N 2.69Å; K136-E202 WeakPolarHBondContact CE-OE1 3.4Å; K136-E202 IonicContact NZ-OE1 2.73Å; K136-E202 PolarHBondContact NZ-OE1 3.38Å; K136-E202 IonicContact NZ-OE2 2.61Å; K136-E202 PolarHBondContact NZ-OE2 3.3Å
137V98.4Very high97.3Very high0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-62.7-44.8172.6172.20000111.7V113 Y114 M117 W124 I132 T133 S134 S139 L140 F141V113-V137 HydrophobicContact CG1-CG1 3.84Å; V113-V137 HydrophobicContact CG1-CG2 4.4Å; V113-V137 HydrophobicContact CG2-CG1 4.21Å; V113-V137 HydrophobicContact CG2-CG2 4.03Å; Y114-V137 HydrophobicContact CD2-CG1 4.29Å; M117-V137 HydrophobicContact CE-CB 4.35Å; M117-V137 HydrophobicContact CE-CG1 3.84Å; M117-V137 HydrophobicContact SD-CB 3.92Å; M117-V137 HydrophobicContact SD-CG1 3.83Å; W124-V137 HydrophobicContact CH2-CG2 3.74Å; W124-V137 HydrophobicContact CZ3-CG2 3.69Å; I132-V137 HydrophobicContact CD1-CG2 4.23Å; I132-V137 HydrophobicContact CG1-CG2 4.27Å; I132-V137 HydrophobicContact CG2-CG2 3.69Å; T133-V137 PolarHBondContact O-N 2.81Å; S134-V137 PolarHBondContact O-N 2.83Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 2.88Å; V137-L140 PolarHBondContact O-N 3.35Å; V137-F141 WeakPolarHBondContact O-CB 3.31Å; V137-F141 PolarHBondContact O-N 2.87Å
138K98.5Very high97.6Very high104 Ų10447 Ų4745%0.45226%0.258SS..Hα-helixtrans-59.8-43.6174.5-69.5170.4-172.1170.10111.6Y114 M117 S134 D135 F141 H142Y114-K138 HydrophobicContact CE2-CG 4.11Å; M117-K138 HydrophobicContact CE-CG 4.07Å; S134-K138 WeakPolarHBondContact O-CG 3.4Å; S134-K138 PolarHBondContact O-N 2.9Å; D135-K138 PolarHBondContact O-N 2.77Å; D135-K138 IonicContact OD1-NZ 3.81Å; K138-F141 PolarHBondContact O-N 2.89Å; K138-H142 WeakPolarHBondContact O-CB 3.43Å; K138-H142 PolarHBondContact O-N 3.01Å
139S98.6Very high97.7Very high47 Ų4747.8 Ų47.833%0.32926%0.263SS..Hα-helixtrans-65.4-39177.8-172.20000112.3D135 K136 V137 H142 S143 H280D135-S139 WeakPolarHBondContact O-CB 3.25Å; D135-S139 PolarHBondContact O-N 3.49Å; K136-S139 PolarHBondContact O-N 3.32Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 2.88Å; S139-H142 PolarHBondContact O-N 3.33Å; S139-S143 WeakPolarHBondContact O-CB 3.32Å; S139-S143 PolarHBondContact O-N 3.24Å; S139-S143 PolarHBondContact O-OG 2.85Å; S139-H280 WeakPolarHBondContact CB-ND1 3.19Å; S139-H280 PolarHBondContact OG-ND1 2.93Å
140L98.7Very high97.9Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-64.2-47.6174.5172.359000111.3A110 V113 K136 V137 H142 S143 A144 L201 I207 H280A110-L140 HydrophobicContact CB-CD1 3.96Å; A110-L140 HydrophobicContact CB-CD2 4.18Å; A110-L140 HydrophobicContact CB-CG 3.62Å; V113-L140 HydrophobicContact CG1-CD2 4.29Å; K136-L140 WeakPolarHBondContact O-CB 3.29Å; K136-L140 PolarHBondContact O-N 2.69Å; V137-L140 PolarHBondContact O-N 3.35Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.87Å; L140-S143 PolarHBondContact O-N 3.17Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-A144 PolarHBondContact O-N 3.18Å; L140-L201 HydrophobicContact CD1-CB 3.49Å; L140-L201 VanDerWaalsContact CD1-CB 3.49Å; L140-L201 HydrophobicContact CD1-CD1 4.17Å; L140-L201 HydrophobicContact CD1-CG 4.43Å; L140-I207 HydrophobicContact CD2-CD1 3.64Å; L140-H280 WeakPolarHBondContact CA-CE1 3.22Å; L140-H280 PolarHBondContact N-CE1 2.86Å
141F98.7Very high98Very high55 Ų5539.3 Ų39.324%0.24121%0.211CC..Hα-helixtrans-59.6-42175.8-179.1-98.6000112.3V111 Y114 V137 K138 A144 T145V111-F141 HydrophobicContact CG2-CD2 4.39Å; V111-F141 HydrophobicContact CG2-CE2 4.09Å; Y114-F141 HydrophobicContact CD1-CD1 4.05Å; Y114-F141 AromaticContact CD1-CD2 3.69Å; Y114-F141 HydrophobicContact CD1-CD2 3.69Å; Y114-F141 HydrophobicContact CD1-CE1 4.1Å; Y114-F141 AromaticContact CD1-CE2 3.73Å; Y114-F141 HydrophobicContact CD1-CE2 3.73Å; Y114-F141 AromaticContact CD1-CG 3.85Å; Y114-F141 HydrophobicContact CD1-CG 3.85Å; Y114-F141 AromaticContact CD1-CZ 3.95Å; Y114-F141 HydrophobicContact CD1-CZ 3.95Å; Y114-F141 HydrophobicContact CD2-CB 3.72Å; Y114-F141 HydrophobicContact CD2-CD1 4.15Å; Y114-F141 HydrophobicContact CD2-CD2 4.29Å; Y114-F141 AromaticContact CD2-CG 3.79Å; Y114-F141 HydrophobicContact CD2-CG 3.79Å; Y114-F141 HydrophobicContact CE1-CD1 4.07Å; Y114-F141 HydrophobicContact CE1-CD2 4.47Å; Y114-F141 AromaticContact CE1-CE1 3.96Å; Y114-F141 HydrophobicContact CE1-CE1 3.96Å; Y114-F141 HydrophobicContact CE1-CE2 4.36Å; Y114-F141 HydrophobicContact CE1-CG 4.33Å; Y114-F141 HydrophobicContact CE1-CZ 4.11Å; Y114-F141 HydrophobicContact CE2-CB 4.4Å; Y114-F141 HydrophobicContact CE2-CD1 4.18Å; Y114-F141 HydrophobicContact CE2-CG 4.29Å; Y114-F141 HydrophobicContact CG-CB 3.85Å; Y114-F141 HydrophobicContact CG-CD1 4.09Å; Y114-F141 AromaticContact CG-CD2 3.57Å; Y114-F141 HydrophobicContact CG-CD2 3.57Å; Y114-F141 HydrophobicContact CG-CE2 4.12Å; Y114-F141 AromaticContact CG-CG 3.55Å; Y114-F141 HydrophobicContact CG-CG 3.55Å; V137-F141 WeakPolarHBondContact O-CB 3.31Å; V137-F141 PolarHBondContact O-N 2.87Å; K138-F141 PolarHBondContact O-N 2.89Å; F141-A144 PolarHBondContact O-N 2.85Å; F141-T145 WeakPolarHBondContact O-CB 3.38Å; F141-T145 PolarHBondContact O-N 2.86Å; F141-T145 PolarHBondContact O-OG1 3.08Å
142H98.5Very high98.1Very high108 Ų10836.9 Ų36.950%0.520%0.196SC..Hα-helixtrans-62.7-47.4175.7-176.663000111.7K138 S139 L140 A144 T145 L146K138-H142 WeakPolarHBondContact O-CB 3.43Å; K138-H142 PolarHBondContact O-N 3.01Å; S139-H142 PolarHBondContact O-N 3.33Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.87Å; H142-A144 PolarHBondContact O-N 2.92Å; H142-T145 WeakPolarHBondContact O-CA 3.46Å; H142-T145 VanDerWaalsContact O-CB 3.31Å; H142-T145 WeakPolarHBondContact O-CB 3.31Å; H142-T145 PolarHBondContact O-N 2.87Å; H142-T145 VanDerWaalsContact O-N 3.11Å; H142-L146 WeakPolarHBondContact O-CG 3.41Å; H142-L146 PolarHBondContact O-N 2.97Å
143S98.5Very high98.2Very high3 Ų339.4 Ų39.42%0.02121%0.205CC..Hα-helixtrans-64.6-39.1179-52.50000112.2S139 L140 T145 L146 S147 H280S139-S143 WeakPolarHBondContact O-CB 3.32Å; S139-S143 PolarHBondContact O-N 3.24Å; S139-S143 PolarHBondContact O-OG 2.85Å; L140-S143 PolarHBondContact O-N 3.17Å; S143-T145 VanDerWaalsContact C-N 3.34Å; S143-L146 PolarHBondContact O-N 3.36Å; S143-S147 PolarHBondContact O-N 2.85Å; S143-H280 WeakPolarHBondContact OG-CA 3.34Å; S143-H280 WeakPolarHBondContact OG-CB 3.45Å
144A98.7Very high98.2Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-60.4-44.8171.200000111.1T107 A110 L140 F141 H142 L146 S147 M148 L201T107-A144 HydrophobicContact CG2-CB 4.34Å; A110-A144 HydrophobicContact CB-CB 3.48Å; A110-A144 VanDerWaalsContact CB-CB 3.48Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-A144 PolarHBondContact O-N 3.18Å; F141-A144 PolarHBondContact O-N 2.85Å; H142-A144 PolarHBondContact O-N 2.92Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 PolarHBondContact O-N 3.19Å; A144-S147 PolarHBondContact O-N 2.82Å; A144-M148 HydrophobicContact CB-CE 4.43Å; A144-M148 WeakPolarHBondContact O-CB 3.45Å; A144-M148 WeakPolarHBondContact O-CG 3.33Å; A144-M148 PolarHBondContact O-N 3.39Å; A144-L201 HydrophobicContact CB-CD1 3.71Å
145T98.4Very high98.3Very high41 Ų4134.2 Ų34.225%0.25217%0.171SC..Hα-helixtrans-57.1-46.5174.8-580000111.4I4 F141 H142 S143 M148 T149I4-T145 HydrophobicContact CD1-CG2 4.5Å; F141-T145 WeakPolarHBondContact O-CB 3.38Å; F141-T145 PolarHBondContact O-N 2.86Å; F141-T145 PolarHBondContact O-OG1 3.08Å; H142-T145 WeakPolarHBondContact O-CA 3.46Å; H142-T145 VanDerWaalsContact O-CB 3.31Å; H142-T145 WeakPolarHBondContact O-CB 3.31Å; H142-T145 PolarHBondContact O-N 2.87Å; H142-T145 VanDerWaalsContact O-N 3.11Å; S143-T145 VanDerWaalsContact C-N 3.34Å; T145-M148 PolarHBondContact O-N 3.44Å; T145-T149 VanDerWaalsContact O-CG2 3.27Å; T145-T149 WeakPolarHBondContact O-CG2 3.12Å; T145-T149 PolarHBondContact O-N 2.8Å; T145-T149 VanDerWaalsContact O-N 3.11Å; T145-T149 PolarHBondContact O-OG1 2.69Å
146L98.1Very high98.3Very high24 Ų2428.7 Ų28.713%0.12614%0.142CC..Hα-helixtrans-61-47.4176.9-64.8-177.5000111.7H142 S143 A144 M148 T149 H150 I283 P285H142-L146 WeakPolarHBondContact O-CG 3.41Å; H142-L146 PolarHBondContact O-N 2.97Å; S143-L146 PolarHBondContact O-N 3.36Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 PolarHBondContact O-N 3.19Å; L146-M148 PolarHBondContact O-N 3.45Å; L146-T149 WeakPolarHBondContact CA-OG1 3.35Å; L146-T149 PolarHBondContact O-N 2.82Å; L146-T149 PolarHBondContact O-OG1 3.18Å; L146-H150 PolarHBondContact O-CD2 2.75Å; L146-H150 PolarHBondContact O-N 2.72Å; L146-I283 HydrophobicContact CB-CG2 3.72Å; L146-I283 VanDerWaalsContact CD1-O 3.24Å; L146-I283 WeakPolarHBondContact CD1-O 3.18Å; L146-P285 HydrophobicContact CD1-CG 4.26Å; L146-P285 HydrophobicContact CD2-CB 4.24Å; L146-P285 HydrophobicContact CD2-CG 4.2Å
147S98.4Very high98.4Very high3 Ų330.3 Ų30.32%0.02115%0.146CC..Hα-helixtrans-56.1-47.5176.5-178.50000112.2K103 S143 A144 T149 H150K103-S147 WeakPolarHBondContact CD-O 3.39Å; K103-S147 WeakPolarHBondContact CE-O 3.49Å; K103-S147 PolarHBondContact NZ-O 2.86Å; K103-S147 VanDerWaalsContact NZ-O 3.08Å; S143-S147 PolarHBondContact O-N 2.85Å; A144-S147 PolarHBondContact O-N 2.82Å; S147-T149 PolarHBondContact O-N 3.32Å; S147-H150 PolarHBondContact O-N 3.34Å
148M98.5Very high98.4Very high11 Ų1130.3 Ų30.35%0.05415%0.146CC..Hα-helixtrans-65.2-20.8177.8-67.1-166-83.700113.2I4 T107 V111 A144 T145 L146 T225 S226I4-M148 HydrophobicContact CB-CB 4.5Å; I4-M148 HydrophobicContact CD1-CB 3.85Å; I4-M148 HydrophobicContact CD1-CE 4.06Å; I4-M148 HydrophobicContact CD1-SD 4.26Å; I4-M148 HydrophobicContact CG1-CB 3.84Å; I4-M148 HydrophobicContact CG2-CB 3.96Å; I4-M148 HydrophobicContact CG2-SD 4.35Å; T107-M148 HydrophobicContact CG2-CG 3.95Å; V111-M148 HydrophobicContact CG2-CE 4.13Å; A144-M148 HydrophobicContact CB-CE 4.43Å; A144-M148 WeakPolarHBondContact O-CB 3.45Å; A144-M148 WeakPolarHBondContact O-CG 3.33Å; A144-M148 PolarHBondContact O-N 3.39Å; T145-M148 PolarHBondContact O-N 3.44Å; L146-M148 PolarHBondContact O-N 3.45Å; M148-T225 WeakPolarHBondContact CG-O 3.41Å; M148-T225 HydrophobicContact SD-CG2 3.82Å; M148-S226 WeakPolarHBondContact O-CB 3.45Å; M148-S226 PolarHBondContact O-OG 2.98Å; M148-S226 VanDerWaalsContact O-OG 3.05Å
149T97.8Very high98.4Very high16 Ų1625.3 Ų25.310%0.09813%0.125CC..THydrogen-bonded Turntrans-93.6-2.1179.357.20000115R3 I4 C7 T145 L146 S147 P286R3-T149 HydrophobicContact CB-CG2 4.35Å; R3-T149 HydrophobicContact CG-CG2 3.85Å; R3-T149 PolarHBondContact NH1-O 3.38Å; I4-T149 HydrophobicContact CD1-CG2 4.32Å; I4-T149 HydrophobicContact CG1-CG2 3.56Å; C7-T149 PolarHBondContact SG-O 3.42Å; C7-T149 VanDerWaalsContact SG-O 3.32Å; T145-T149 VanDerWaalsContact O-CG2 3.27Å; T145-T149 WeakPolarHBondContact O-CG2 3.12Å; T145-T149 PolarHBondContact O-N 2.8Å; T145-T149 VanDerWaalsContact O-N 3.11Å; T145-T149 PolarHBondContact O-OG1 2.69Å; L146-T149 WeakPolarHBondContact CA-OG1 3.35Å; L146-T149 PolarHBondContact O-N 2.82Å; L146-T149 PolarHBondContact O-OG1 3.18Å; S147-T149 PolarHBondContact O-N 3.32Å; T149-P286 WeakPolarHBondContact O-CG 3.48Å
150H97.2Very high98.4Very high12 Ų1226 Ų266%0.05612%0.122CC..SBendtrans-78.6135.2171.5-89.3-82.6000111.8K103 L146 S147 C251 V284K103-H150 WeakPolarHBondContact CE-O 3.27Å; K103-H150 PolarHBondContact NZ-O 3.25Å; L146-H150 PolarHBondContact O-CD2 2.75Å; L146-H150 PolarHBondContact O-N 2.72Å; S147-H150 PolarHBondContact O-N 3.34Å; H150-C251 PolarHBondContact NE2-SG 3.37Å; H150-V284 PolarHBondContact NE2-O 3.16Å
151L97.9Very high98.4Very high15 Ų1531.4 Ų31.48%0.07915%0.146CC..  trans-74.7140.7170.3-75.5166000110.6L10 Y14 E56 A57 R153L10-L151 HydrophobicContact CD1-CD2 3.88Å; Y14-L151 HydrophobicContact CE2-CD2 3.83Å; E56-L151 HydrophobicContact CB-CD1 4.08Å; E56-L151 HydrophobicContact CG-CD1 3.81Å; A57-L151 HydrophobicContact CB-CD1 3.81Å; A57-L151 HydrophobicContact CB-CD2 4.26Å; L151-R153 HydrophobicContact CB-CB 4.13Å; L151-R153 PolarHBondContact O-N 3.01Å
152N98.5Very high98.4Very high5 Ų529.4 Ų29.43%0.02714%0.137CC..SBendtrans-783.8170.4-72.3-32.7000112.9S11 Y14 K103 T154 A155 A156 G227 L229S11-N152 PolarHBondContact OG-ND2 2.74Å; Y14-N152 HydrophobicContact CD2-CB 3.78Å; Y14-N152 HydrophobicContact CG-CB 4.18Å; K103-N152 VanDerWaalsContact CE-OD1 3.24Å; K103-N152 WeakPolarHBondContact CE-OD1 3.44Å; N152-T154 PolarHBondContact O-N 3.4Å; N152-A155 WeakPolarHBondContact O-CB 3.48Å; N152-A155 PolarHBondContact O-N 3.32Å; N152-A156 PolarHBondContact O-N 3.35Å; N152-G227 PolarHBondContact ND2-O 3Å; N152-L229 HydrophobicContact CB-CD1 4.1Å; N152-L229 HydrophobicContact CB-CD2 3.86Å; N152-L229 HydrophobicContact CB-CG 3.79Å
153R98.2Very high98.4Very high67 Ų6730.8 Ų30.825%0.25314%0.144SC..Hα-helixtrans-57.9-47.3-173.6-170.3173.9-179.6-134.8-0.5113.9Y14 V19 D20 A57 L151 A155 A156 R157Y14-R153 HydrophobicContact CD1-CB 4.18Å; Y14-R153 HydrophobicContact CD1-CG 4.36Å; Y14-R153 HydrophobicContact CE1-CB 3.63Å; Y14-R153 HydrophobicContact CE1-CG 3.64Å; Y14-R153 HydrophobicContact CE2-CB 4.03Å; V19-R153 HydrophobicContact CG1-CG 3.74Å; V19-R153 PolarHBondContact O-NE 3.5Å; D20-R153 IonicContact OD1-CZ 3.87Å; D20-R153 IonicContact OD1-NH2 2.86Å; D20-R153 PolarHBondContact OD1-NH2 2.81Å; A57-R153 VanDerWaalsContact O-CZ 3.28Å; A57-R153 PolarHBondContact O-NE 3.32Å; L151-R153 HydrophobicContact CB-CB 4.13Å; L151-R153 PolarHBondContact O-N 3.01Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 2.86Å; R153-A156 PolarHBondContact O-N 3.42Å; R153-R157 PolarHBondContact O-N 2.78Å
154T98.2Very high98.4Very high32 Ų3231.1 Ų31.120%0.19615%0.146CC..Hα-helixtrans-63.2-41.7179.4-57.90000111N152 R157 L158 L245 E248 I249N152-T154 PolarHBondContact O-N 3.4Å; T154-R157 PolarHBondContact O-N 3.39Å; T154-L158 HydrophobicContact CG2-CD1 4.19Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.45Å; T154-L245 HydrophobicContact CG2-CD1 3.73Å; T154-E248 HydrophobicContact CG2-CB 3.95Å; T154-I249 HydrophobicContact CG2-CG2 3.83Å
155A98.7Very high98.4Very high3 Ų333.7 Ų33.73%0.02516%0.158CC..Hα-helixtrans-62-45175.500000111.5T102 N152 R153 R157 L158 M159 L229 I231 F241 L245T102-A155 HydrophobicContact CG2-CB 3.96Å; N152-A155 WeakPolarHBondContact O-CB 3.48Å; N152-A155 PolarHBondContact O-N 3.32Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 2.86Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 3.01Å; A155-L158 CarbonylContact O-C 3.59Å; A155-L158 PolarHBondContact O-N 3.11Å; A155-L158 VanDerWaalsContact O-N 3.13Å; A155-M159 WeakPolarHBondContact O-CG 3.25Å; A155-M159 PolarHBondContact O-N 3.26Å; A155-L229 HydrophobicContact CB-CD1 3.82Å; A155-L229 HydrophobicContact CB-CG 4.5Å; A155-I231 HydrophobicContact CB-CD1 4.47Å; A155-F241 HydrophobicContact CB-CZ 4.15Å; A155-L245 HydrophobicContact CB-CD1 4.24Å; A155-L245 HydrophobicContact CB-CD2 4.17Å
156A98.7Very high98.4Very high0 Ų031.7 Ų31.70%015%0.146CC..Hα-helixtrans-58.4-42.1175.400000113.1Y14 V19 N152 R153 M159Y14-A156 HydrophobicContact CD1-CB 4.01Å; Y14-A156 HydrophobicContact CG-CB 4.24Å; Y14-A156 WeakPolarHBondContact O-CB 3.49Å; V19-A156 HydrophobicContact CG2-CB 4.32Å; N152-A156 PolarHBondContact O-N 3.35Å; R153-A156 PolarHBondContact O-N 3.42Å; A156-M159 WeakPolarHBondContact O-CB 3.46Å; A156-M159 PolarHBondContact O-N 3.08Å
157R98.4Very high98.4Very high90 Ų9030.8 Ų30.834%0.3414%0.142SC..Hα-helixtrans-64.5-41.5174.8-175.9-179.353.464.93.6112V19 R153 T154 A155 M159 H160 E248V19-R157 HydrophobicContact CG1-CB 4.26Å; V19-R157 HydrophobicContact CG2-CB 3.77Å; V19-R157 HydrophobicContact CG2-CG 4.45Å; R153-R157 PolarHBondContact O-N 2.78Å; T154-R157 PolarHBondContact O-N 3.39Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 3.01Å; R157-M159 VanDerWaalsContact C-N 3.3Å; R157-M159 PolarHBondContact O-N 3.17Å; R157-H160 PolarHBondContact O-N 3.05Å; R157-E248 IonicContact CZ-OE1 3.18Å; R157-E248 IonicContact CZ-OE2 2.88Å; R157-E248 IonicContact NH1-OE1 3.12Å; R157-E248 IonicContact NH2-OE1 2.69Å; R157-E248 PolarHBondContact NH2-OE1 3.27Å; R157-E248 IonicContact NH2-OE2 2.67Å; R157-E248 PolarHBondContact NH2-OE2 3.12Å
158L98.8Very high98.4Very high0 Ų031.9 Ų31.90%015%0.148CC..Hα-helixtrans-70.4-25.9179.2-70.4179.1000112.7T154 A155 H160 K161 H162 F241 E244 L245T154-L158 HydrophobicContact CG2-CD1 4.19Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.45Å; A155-L158 CarbonylContact O-C 3.59Å; A155-L158 PolarHBondContact O-N 3.11Å; A155-L158 VanDerWaalsContact O-N 3.13Å; L158-H160 VanDerWaalsContact C-N 3.27Å; L158-H160 PolarHBondContact O-N 3.22Å; L158-K161 HydrophobicContact CD2-CD 4.17Å; L158-K161 PolarHBondContact O-N 3.4Å; L158-K161 VanDerWaalsContact O-N 3.16Å; L158-H162 PolarHBondContact O-CD2 3.42Å; L158-H162 VanDerWaalsContact O-CD2 3.3Å; L158-H162 PolarHBondContact O-N 2.95Å; L158-F241 HydrophobicContact CB-CD2 3.71Å; L158-F241 HydrophobicContact CB-CE2 3.45Å; L158-F241 VanDerWaalsContact CB-CE2 3.45Å; L158-F241 HydrophobicContact CB-CZ 4.42Å; L158-E244 HydrophobicContact CD1-CB 4.3Å; L158-E244 HydrophobicContact CD1-CG 4.06Å; L158-E244 HydrophobicContact CD2-CG 3.78Å; L158-E244 WeakPolarHBondContact CD2-OE1 3.39Å; L158-L245 HydrophobicContact CD1-CB 3.78Å; L158-L245 HydrophobicContact CD1-CD1 4.14Å
159M98.8Very high98.4Very high0 Ų031.7 Ų31.70%015%0.148CC..Hα-helixtrans-56.2-41.4173.2-74.7164.650.500112I88 A155 A156 R157 H163 A164 C167 L229 I231 F241I88-M159 HydrophobicContact CD1-CB 3.69Å; I88-M159 HydrophobicContact CD1-CE 4.03Å; A155-M159 WeakPolarHBondContact O-CG 3.25Å; A155-M159 PolarHBondContact O-N 3.26Å; A156-M159 WeakPolarHBondContact O-CB 3.46Å; A156-M159 PolarHBondContact O-N 3.08Å; R157-M159 VanDerWaalsContact C-N 3.3Å; R157-M159 PolarHBondContact O-N 3.17Å; M159-H163 PolarHBondContact O-N 2.91Å; M159-H163 VanDerWaalsContact O-N 3.07Å; M159-A164 HydrophobicContact CB-CB 3.7Å; M159-A164 HydrophobicContact CE-CB 4.43Å; M159-A164 HydrophobicContact CG-CB 3.92Å; M159-A164 PolarHBondContact O-N 3.44Å; M159-C167 HydrophobicContact CE-CB 3.31Å; M159-C167 HydrophobicContact SD-CB 3.96Å; M159-L229 HydrophobicContact SD-CD1 3.76Å; M159-I231 HydrophobicContact CG-CD1 3.81Å; M159-I231 HydrophobicContact CG-CG1 4.3Å; M159-I231 HydrophobicContact CG-CG2 3.8Å; M159-I231 HydrophobicContact SD-CD1 4.04Å; M159-I231 HydrophobicContact SD-CG1 4.16Å; M159-I231 HydrophobicContact SD-CG2 4.33Å; M159-F241 HydrophobicContact CG-CE2 4.43Å
160H98.5Very high98.5Very high61 Ų6131 Ų3128%0.28214%0.143SC..Hα-helixtrans-64-45.5175.4-73.7-77000112.3G17 E86 R157 L158 H162 H163G17-H160 PolarHBondContact O-CD2 3.08Å; G17-H160 PolarHBondContact O-NE2 3.26Å; E86-H160 PolarHBondContact O-CE1 2.92Å; E86-H160 PolarHBondContact O-NE2 3.25Å; R157-H160 PolarHBondContact O-N 3.05Å; L158-H160 VanDerWaalsContact C-N 3.27Å; L158-H160 PolarHBondContact O-N 3.22Å; H160-H162 VanDerWaalsContact C-N 3.34Å; H160-H162 PolarHBondContact O-N 3.35Å; H160-H163 PolarHBondContact O-N 2.9Å
161K98.5Very high98.5Very high114 Ų11431.9 Ų31.950%0.49615%0.149SC..Hα-helixtrans-63.7-39.1-179-175.5-174.7-179.7-167.40112.4L158 E244L158-K161 HydrophobicContact CD2-CD 4.17Å; L158-K161 PolarHBondContact O-N 3.4Å; L158-K161 VanDerWaalsContact O-N 3.16Å; K161-E244 WeakPolarHBondContact CD-OE2 3.31Å; K161-E244 WeakPolarHBondContact CE-OE2 3.39Å; K161-E244 IonicContact NZ-OE1 2.66Å; K161-E244 PolarHBondContact NZ-OE1 3.37Å; K161-E244 IonicContact NZ-OE2 3.27Å; K161-E244 PolarHBondContact NZ-OE2 2.88Å
162H98.6Very high98.4Very high13 Ų1333.5 Ų33.56%0.0617%0.17CC..THydrogen-bonded Turntrans-9914.8-176.6-66.3-79.1000112.8L158 H160 A164 L233 S237 S240 F241 E244L158-H162 PolarHBondContact O-CD2 3.42Å; L158-H162 VanDerWaalsContact O-CD2 3.3Å; L158-H162 PolarHBondContact O-N 2.95Å; H160-H162 VanDerWaalsContact C-N 3.34Å; H160-H162 PolarHBondContact O-N 3.35Å; H162-A164 PolarHBondContact O-N 3.07Å; H162-L233 HydrophobicContact CB-CD2 3.84Å; H162-L233 WeakPolarHBondContact O-CD2 3.48Å; H162-S237 PolarHBondContact O-OG 3.42Å; H162-S240 PolarHBondContact CE1-OG 2.88Å; H162-F241 HydrophobicContact CB-CB 4.17Å; H162-F241 HydrophobicContact CB-CD2 4.17Å; H162-F241 AromaticContact CD2-CD2 3.75Å; H162-F241 PolarHBondContact CE1-N 3.15Å; H162-E244 IonicContact CE1-OE2 3.94Å; H162-E244 IonicContact NE2-OE2 2.68Å; H162-E244 PolarHBondContact NE2-OE2 3.43Å
163H98.1Very high98.4Very high137 Ų13739.5 Ų39.563%0.63420%0.196SC*.THydrogen-bonded Turntrans54.848.9173.1-51.7-59.9000113.6M159 H160 H165 P234M159-H163 PolarHBondContact O-N 2.91Å; M159-H163 VanDerWaalsContact O-N 3.07Å; H160-H163 PolarHBondContact O-N 2.9Å; H163-H165 PolarHBondContact O-CD2 3.15Å; H163-H165 PolarHBondContact O-N 3.22Å; H163-P234 WeakPolarHBondContact O-CD 3.02Å
164A98.8Very high98.4Very high9 Ų936.3 Ų36.37%0.07418%0.184CC..  trans-57.2139.1175.600000111.4I88 M159 H162 I231 V232 L233I88-A164 HydrophobicContact CD1-CB 4.32Å; I88-A164 WeakPolarHBondContact CG2-O 3.5Å; M159-A164 HydrophobicContact CB-CB 3.7Å; M159-A164 HydrophobicContact CE-CB 4.43Å; M159-A164 HydrophobicContact CG-CB 3.92Å; M159-A164 PolarHBondContact O-N 3.44Å; H162-A164 PolarHBondContact O-N 3.07Å; A164-I231 HydrophobicContact CB-CG2 3.69Å; A164-V232 CarbonylContact C-O 3.59Å; A164-V232 WeakPolarHBondContact CA-O 3.11Å; A164-L233 HydrophobicContact CB-CD2 3.82Å; A164-L233 HydrophobicContact CB-CG 4.39Å
165H98.7Very high98.4Very high54 Ų5434.8 Ų34.825%0.2518%0.175CC..  trans-94.7-6.8-179.4-69.6164.4000113.2Q92 D97 H163 V232Q92-H165 CarbonylContact C-O 3.6Å; Q92-H165 WeakPolarHBondContact CA-O 3.37Å; Q92-H165 HydrophobicContact CB-CB 4.28Å; Q92-H165 WeakPolarHBondContact CB-O 3.31Å; Q92-H165 PolarHBondContact N-O 3.19Å; Q92-H165 VanDerWaalsContact N-O 3.11Å; Q92-H165 WeakPolarHBondContact O-CB 3.25Å; D97-H165 VanDerWaalsContact CG-ND1 3.29Å; D97-H165 IonicContact OD1-CE1 3.47Å; D97-H165 PolarHBondContact OD1-CE1 3.04Å; D97-H165 IonicContact OD1-ND1 2.94Å; D97-H165 PolarHBondContact OD1-ND1 2.91Å; D97-H165 IonicContact OD2-CE1 3.73Å; D97-H165 IonicContact OD2-CG 3.62Å; D97-H165 IonicContact OD2-ND1 2.73Å; D97-H165 PolarHBondContact OD2-ND1 3.22Å; H163-H165 PolarHBondContact O-CD2 3.15Å; H163-H165 PolarHBondContact O-N 3.22Å; H165-V232 HydrophobicContact CB-CB 4.4Å; H165-V232 HydrophobicContact CB-CG1 4.09Å; H165-V232 PolarHBondContact N-O 3.49Å
166G98.5Very high98.4Very high0 Ų035.4 Ų35.40%018%0.177CC..EExtended strand (participates in β ladder)trans166.2164.3175.200000111.4V232G166-V232 PolarHBondContact O-N 3.23Å
167C98.8Very high98.4Very high5 Ų535.9 Ų35.93%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-158.8153.7-177.7174.10000110.7A15 M159 L230 I231A15-C167 VanDerWaalsContact O-CB 3.29Å; A15-C167 WeakPolarHBondContact O-CB 3.39Å; M159-C167 HydrophobicContact CE-CB 3.31Å; M159-C167 HydrophobicContact SD-CB 3.96Å; C167-L230 WeakPolarHBondContact CA-O 3.3Å; C167-I231 HydrophobicContact CB-CG1 4.42Å; C167-I231 HydrophobicContact CB-CG2 4.46Å
168T98.7Very high98.4Very high25 Ų2532.2 Ų32.215%0.15317%0.169CC..EExtended strand (participates in β ladder)trans-138.5156.1162.2-170.90000107.9H178 L182 L229 L230T168-H178 HydrophobicContact CG2-CB 3.92Å; T168-L182 HydrophobicContact CG2-CB 4.03Å; T168-L182 HydrophobicContact CG2-CD2 3.93Å; T168-L182 HydrophobicContact CG2-CG 4.47Å; T168-L229 CarbonylContact O-C 3.51Å; T168-L229 WeakPolarHBondContact O-CA 3.42Å; T168-L230 HydrophobicContact CG2-CB 4.03Å; T168-L230 HydrophobicContact CG2-CD2 4.25Å; T168-L230 PolarHBondContact N-O 3.23Å; T168-L230 PolarHBondContact O-N 2.76Å
169D98.6Very high98.4Very high8 Ų832.2 Ų32.24%0.04317%0.169CC..EExtended strand (participates in β ladder)trans-85.6151.4164.267.3-15.7000110.8S11 A15 T171 H178 G228 L229S11-D169 WeakPolarHBondContact CB-OD2 3.45Å; S11-D169 WeakPolarHBondContact OG-CB 3.26Å; S11-D169 PolarHBondContact OG-OD2 2.84Å; A15-D169 HydrophobicContact CB-CB 4.37Å; D169-T171 HydrophobicContact CB-CG2 4.48Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.29Å; D169-H178 PolarHBondContact O-CE1 3.47Å; D169-H178 VanDerWaalsContact O-CG 3.27Å; D169-H178 PolarHBondContact O-ND1 3.31Å; D169-G228 CarbonylContact C-O 3.57Å; D169-G228 WeakPolarHBondContact CA-O 3.47Å; D169-L229 HydrophobicContact CB-CD2 3.8Å
170V98.7Very high98.4Very high1 Ų134.3 Ų34.31%0.00618%0.18CC..  trans-98.2107.6-180-179.60000108.2L101 L175 E224 G227 G228 L230L101-V170 HydrophobicContact CD1-CG2 3.88Å; V170-L175 HydrophobicContact CG1-CB 4.24Å; V170-L175 HydrophobicContact CG2-CD1 4.03Å; V170-E224 HydrophobicContact CG1-CB 4.16Å; V170-E224 HydrophobicContact CG1-CG 4.02Å; V170-G227 VanDerWaalsContact O-CA 3.25Å; V170-G227 WeakPolarHBondContact O-CA 3.31Å; V170-G227 PolarHBondContact O-N 3.43Å; V170-G228 PolarHBondContact N-O 2.88Å; V170-L230 HydrophobicContact CG2-CB 3.81Å
171T97.6Very high98.4Very high30 Ų3035.5 Ų35.518%0.18419%0.189CC..  trans-128.4-122.2-176.965.80000113.2D169 F173 G174 H178 E224D169-T171 HydrophobicContact CB-CG2 4.48Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.29Å; T171-F173 VanDerWaalsContact C-N 3.26Å; T171-F173 PolarHBondContact O-N 3.26Å; T171-G174 PolarHBondContact O-N 2.93Å; T171-G174 VanDerWaalsContact O-N 3.12Å; T171-H178 PolarHBondContact N-CD2 2.92Å; T171-H178 VanDerWaalsContact N-CD2 3.31Å; T171-H178 PolarHBondContact N-NE2 2.97Å; T171-H178 PolarHBondContact OG1-CE1 2.86Å; T171-H178 VanDerWaalsContact OG1-CE1 3.24Å; T171-H178 PolarHBondContact OG1-NE2 2.89Å; T171-E224 VanDerWaalsContact CA-O 3.29Å; T171-E224 WeakPolarHBondContact CA-O 3.48Å; T171-E224 PolarHBondContact O-N 2.98Å
172G96.2Very high98.4Very high49 Ų4930.4 Ų30.451%0.50517%0.167SC..THydrogen-bonded Turntrans-65.9-21.1-166.100000115.2
173F97.6Very high98.4Very high131 Ų13129.8 Ų29.858%0.57516%0.164SC*.THydrogen-bonded Turntrans-92.9-3.2178.7-56.7-60.8000113.7T171 H178T171-F173 VanDerWaalsContact C-N 3.26Å; T171-F173 PolarHBondContact O-N 3.26Å; F173-H178 AromaticContact CD2-NE2 3.75Å; F173-H178 PolarHBondContact N-NE2 3.41Å
174G98.5Very high98.4Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans68.3173.9-173.600000113.7T171 L176 G177 H178 G220 S222T171-G174 PolarHBondContact O-N 2.93Å; T171-G174 VanDerWaalsContact O-N 3.12Å; G174-L176 PolarHBondContact O-N 3.12Å; G174-G177 PolarHBondContact O-N 3Å; G174-H178 PolarHBondContact O-CD2 3.06Å; G174-H178 VanDerWaalsContact O-CD2 3.26Å; G174-H178 PolarHBondContact O-N 3.25Å; G174-G220 CarbonylContact C-O 3.48Å; G174-G220 VanDerWaalsContact C-O 3.32Å; G174-S222 WeakPolarHBondContact CA-O 3.24Å
175L98.8Very high98.4Very high1 Ų131.2 Ų31.21%0.00518%0.175CC..Hα-helixtrans-51.9-52.1-173.6175.361.2000113L101 L105 V170 H178 A179 I195 L198 G220 L230 I256L101-L175 HydrophobicContact CD1-CD1 4.35Å; L105-L175 HydrophobicContact CD1-CB 4.37Å; L105-L175 HydrophobicContact CD1-CD2 3.9Å; L105-L175 HydrophobicContact CD2-CB 4.13Å; V170-L175 HydrophobicContact CG1-CB 4.24Å; V170-L175 HydrophobicContact CG2-CD1 4.03Å; L175-H178 PolarHBondContact O-N 3.43Å; L175-A179 VanDerWaalsContact O-CB 3.23Å; L175-A179 WeakPolarHBondContact O-CB 3.23Å; L175-A179 PolarHBondContact O-N 3.26Å; L175-I195 HydrophobicContact CD1-CD1 4.43Å; L175-I195 HydrophobicContact CD2-CD1 4.23Å; L175-I195 HydrophobicContact CD2-CG2 4.13Å; L175-I195 HydrophobicContact CG-CD1 4.05Å; L175-L198 HydrophobicContact CD2-CD2 3.62Å; L175-G220 PolarHBondContact N-O 2.76Å; L175-L230 HydrophobicContact CD1-CD1 4.01Å; L175-L230 HydrophobicContact CD1-CD2 4.04Å; L175-L230 HydrophobicContact CD1-CG 4.48Å; L175-I256 HydrophobicContact CD1-CD1 3.85Å; L175-I256 HydrophobicContact CD2-CD1 3.82Å; L175-I256 HydrophobicContact CG-CD1 4.44Å
176L98.6Very high98.4Very high15 Ų1528.7 Ų28.78%0.07916%0.163CC..Hα-helixtrans-74.1-30.9-174.7-170.459.2000112.1G174 N180 I195 G220 F221 A267 L269G174-L176 PolarHBondContact O-N 3.12Å; L176-N180 WeakPolarHBondContact O-CB 3.37Å; L176-N180 PolarHBondContact O-N 2.84Å; L176-N180 PolarHBondContact O-ND2 2.95Å; L176-I195 HydrophobicContact CD1-CD1 4.29Å; L176-G220 WeakPolarHBondContact CB-O 3.41Å; L176-G220 PolarHBondContact N-O 3.17Å; L176-F221 HydrophobicContact CB-CD1 4.44Å; L176-F221 HydrophobicContact CB-CE1 4.1Å; L176-F221 HydrophobicContact CB-CZ 4.17Å; L176-F221 HydrophobicContact CD2-CE1 4.37Å; L176-F221 HydrophobicContact CD2-CE2 3.73Å; L176-F221 HydrophobicContact CD2-CZ 3.6Å; L176-F221 HydrophobicContact CG-CE1 4.21Å; L176-F221 HydrophobicContact CG-CE2 4.43Å; L176-F221 HydrophobicContact CG-CZ 3.9Å; L176-A267 HydrophobicContact CD1-CB 4.06Å; L176-A267 WeakPolarHBondContact CD1-O 3.37Å; L176-L269 HydrophobicContact CD2-CD1 4.34Å; L176-L269 HydrophobicContact CD2-CG 4.25Å
177G98.6Very high98.4Very high11 Ų1131.9 Ų31.911%0.11319%0.189CC..Hα-helixtrans-64.6-48.1172.900000111.8G174 N180 N181G174-G177 PolarHBondContact O-N 3Å; G177-N180 PolarHBondContact O-N 3.27Å; G177-N181 PolarHBondContact O-N 3.36Å; G177-N181 VanDerWaalsContact O-N 3.08Å
178H98.7Very high98.3Very high12 Ų1234.5 Ų34.56%0.05620%0.203CC..Hα-helixtrans-67.7-39.9176.2-78.4-88000112.5T168 D169 T171 F173 G174 L175 N180 N181 L182T168-H178 HydrophobicContact CG2-CB 3.92Å; D169-H178 PolarHBondContact O-CE1 3.47Å; D169-H178 VanDerWaalsContact O-CG 3.27Å; D169-H178 PolarHBondContact O-ND1 3.31Å; T171-H178 PolarHBondContact N-CD2 2.92Å; T171-H178 VanDerWaalsContact N-CD2 3.31Å; T171-H178 PolarHBondContact N-NE2 2.97Å; T171-H178 PolarHBondContact OG1-CE1 2.86Å; T171-H178 VanDerWaalsContact OG1-CE1 3.24Å; T171-H178 PolarHBondContact OG1-NE2 2.89Å; F173-H178 AromaticContact CD2-NE2 3.75Å; F173-H178 PolarHBondContact N-NE2 3.41Å; G174-H178 PolarHBondContact O-CD2 3.06Å; G174-H178 VanDerWaalsContact O-CD2 3.26Å; G174-H178 PolarHBondContact O-N 3.25Å; L175-H178 PolarHBondContact O-N 3.43Å; H178-N180 VanDerWaalsContact C-N 3.3Å; H178-N180 PolarHBondContact O-N 3.33Å; H178-N181 PolarHBondContact O-N 2.79Å; H178-L182 WeakPolarHBondContact O-CB 3.46Å; H178-L182 PolarHBondContact O-N 3.27Å
179A98.8Very high98.2Very high0 Ų037.6 Ų37.60%022%0.219CC..Hα-helixtrans-60.1-39.3173.700000112.1L175 L182 V183 F193 I195 L230 A267L175-A179 VanDerWaalsContact O-CB 3.23Å; L175-A179 WeakPolarHBondContact O-CB 3.23Å; L175-A179 PolarHBondContact O-N 3.26Å; A179-L182 PolarHBondContact O-N 3.03Å; A179-V183 WeakPolarHBondContact O-CB 3.31Å; A179-V183 PolarHBondContact O-N 3.42Å; A179-F193 HydrophobicContact CB-CD2 4.46Å; A179-I195 HydrophobicContact CB-CD1 3.91Å; A179-L230 HydrophobicContact CB-CD2 3.7Å; A179-A267 HydrophobicContact CB-CB 3.74Å
180N98.6Very high98.1Very high45 Ų4542.5 Ų42.524%0.24124%0.241CC..Hα-helixtrans-65.4-42.3174.1-84.7-55.7000111.9L176 G177 H178 V183 Q184 A267L176-N180 WeakPolarHBondContact O-CB 3.37Å; L176-N180 PolarHBondContact O-N 2.84Å; L176-N180 PolarHBondContact O-ND2 2.95Å; G177-N180 PolarHBondContact O-N 3.27Å; H178-N180 VanDerWaalsContact C-N 3.3Å; H178-N180 PolarHBondContact O-N 3.33Å; N180-V183 WeakPolarHBondContact O-CG1 3.48Å; N180-Q184 VanDerWaalsContact O-CG 3.27Å; N180-Q184 WeakPolarHBondContact O-CG 3.32Å; N180-Q184 PolarHBondContact O-N 3.21Å; N180-Q184 VanDerWaalsContact O-N 3.12Å; N180-A267 HydrophobicContact CB-CB 4.49Å; N180-A267 WeakPolarHBondContact OD1-CB 3.09Å; N180-A267 PolarHBondContact OD1-N 2.68Å; N180-A267 PolarHBondContact OD1-O 2.94Å
181N98.5Very high98.1Very high86 Ų8642.5 Ų42.546%0.4624%0.241SC..Hα-helixtrans-63.9-43.4175.5-68.8-20.5000111.5G177 H178 Q184 V185G177-N181 PolarHBondContact O-N 3.36Å; G177-N181 VanDerWaalsContact O-N 3.08Å; H178-N181 PolarHBondContact O-N 2.79Å; N181-Q184 PolarHBondContact O-N 3.03Å; N181-V185 PolarHBondContact O-N 3.42Å
182L98.7Very high98.2Very high6 Ų641 Ų413%0.03123%0.232CC..Hα-helixtrans-64-44.3179-176.960.5000111.5P90 T168 H178 A179 Q184 V185 Q186 F193 V232P90-L182 HydrophobicContact CB-CD1 3.87Å; P90-L182 WeakPolarHBondContact O-CD1 3.46Å; T168-L182 HydrophobicContact CG2-CB 4.03Å; T168-L182 HydrophobicContact CG2-CD2 3.93Å; T168-L182 HydrophobicContact CG2-CG 4.47Å; H178-L182 WeakPolarHBondContact O-CB 3.46Å; H178-L182 PolarHBondContact O-N 3.27Å; A179-L182 PolarHBondContact O-N 3.03Å; L182-Q184 VanDerWaalsContact C-N 3.28Å; L182-Q184 PolarHBondContact O-N 3.42Å; L182-V185 HydrophobicContact CD1-CG2 4.26Å; L182-V185 WeakPolarHBondContact O-CG2 3.49Å; L182-V185 PolarHBondContact O-N 3.28Å; L182-Q186 PolarHBondContact O-NE2 2.91Å; L182-F193 HydrophobicContact CB-CE2 4.11Å; L182-F193 HydrophobicContact CD2-CE2 3.89Å; L182-F193 HydrophobicContact CD2-CZ 4.49Å; L182-F193 HydrophobicContact CG-CE2 3.81Å; L182-F193 HydrophobicContact CG-CZ 4.32Å; L182-V232 HydrophobicContact CD2-CG2 4.08Å
183V98.7Very high98.3Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-66-33.1178.681.20000111.5A179 N180 V185 Q186 L191 F193 K265 A267A179-V183 WeakPolarHBondContact O-CB 3.31Å; A179-V183 PolarHBondContact O-N 3.42Å; N180-V183 WeakPolarHBondContact O-CG1 3.48Å; V183-V185 VanDerWaalsContact C-N 3.31Å; V183-V185 PolarHBondContact O-N 2.91Å; V183-Q186 WeakPolarHBondContact O-CG 3.17Å; V183-Q186 PolarHBondContact O-N 3.26Å; V183-L191 HydrophobicContact CG2-CD1 3.46Å; V183-L191 VanDerWaalsContact CG2-CD1 3.46Å; V183-F193 HydrophobicContact CB-CD1 4.39Å; V183-F193 HydrophobicContact CB-CD2 3.82Å; V183-F193 HydrophobicContact CB-CE1 4.43Å; V183-F193 HydrophobicContact CB-CE2 3.87Å; V183-F193 HydrophobicContact CB-CG 4.08Å; V183-F193 HydrophobicContact CB-CZ 4.18Å; V183-F193 HydrophobicContact CG2-CD1 3.88Å; V183-F193 HydrophobicContact CG2-CD2 4.21Å; V183-F193 HydrophobicContact CG2-CE1 3.97Å; V183-F193 HydrophobicContact CG2-CE2 4.3Å; V183-F193 HydrophobicContact CG2-CG 4Å; V183-F193 HydrophobicContact CG2-CZ 4.18Å; V183-K265 HydrophobicContact CG2-CB 4.34Å; V183-K265 WeakPolarHBondContact O-CD 3.33Å; V183-A267 HydrophobicContact CG1-CB 4.24Å
184Q98.5Very high98.4Very high97 Ų9733.2 Ų33.245%0.45319%0.186SC..Hα-helixtrans-66.3-30.1179.6-72.8-42.4-55.200113.4N180 N181 L182 Q186 K265N180-Q184 VanDerWaalsContact O-CG 3.27Å; N180-Q184 WeakPolarHBondContact O-CG 3.32Å; N180-Q184 PolarHBondContact O-N 3.21Å; N180-Q184 VanDerWaalsContact O-N 3.12Å; N181-Q184 PolarHBondContact O-N 3.03Å; L182-Q184 VanDerWaalsContact C-N 3.28Å; L182-Q184 PolarHBondContact O-N 3.42Å; Q184-Q186 VanDerWaalsContact C-N 3.32Å; Q184-K265 PolarHBondContact NE2-O 3.17Å; Q184-K265 WeakPolarHBondContact O-CE 3.36Å; Q184-K265 PolarHBondContact O-NZ 2.92Å
185V98.2Very high98.4Very high79 Ų7933.2 Ų33.248%0.47919%0.186SC..Hα-helixtrans-81.2-9.7-180-60.30000113.7P90 D91 N181 L182 V183P90-V185 HydrophobicContact CG-CG2 4.49Å; P90-V185 WeakPolarHBondContact O-CG2 3.48Å; D91-V185 VanDerWaalsContact CB-O 3.31Å; D91-V185 WeakPolarHBondContact CB-O 3.25Å; N181-V185 PolarHBondContact O-N 3.42Å; L182-V185 HydrophobicContact CD1-CG2 4.26Å; L182-V185 WeakPolarHBondContact O-CG2 3.49Å; L182-V185 PolarHBondContact O-N 3.28Å; V183-V185 VanDerWaalsContact C-N 3.31Å; V183-V185 PolarHBondContact O-N 2.91Å
186Q98.6Very high98.4Very high2 Ų235.6 Ų35.61%0.00920%0.197CC..  trans-60.9139.9-178.5-56.2-52.7-44.500112.3P90 D91 A93 L182 V183 Q184 L191 F193 K265P90-Q186 PolarHBondContact O-NE2 3.39Å; D91-Q186 VanDerWaalsContact CA-OE1 3.29Å; D91-Q186 PolarHBondContact O-OE1 3.12Å; A93-Q186 VanDerWaalsContact CB-CD 3.5Å; A93-Q186 HydrophobicContact CB-CG 3.97Å; L182-Q186 PolarHBondContact O-NE2 2.91Å; V183-Q186 WeakPolarHBondContact O-CG 3.17Å; V183-Q186 PolarHBondContact O-N 3.26Å; Q184-Q186 VanDerWaalsContact C-N 3.32Å; Q186-L191 HydrophobicContact CB-CD1 4.17Å; Q186-L191 HydrophobicContact CB-CD2 4.4Å; Q186-L191 HydrophobicContact CG-CD1 4.04Å; Q186-F193 HydrophobicContact CG-CZ 4.26Å; Q186-K265 HydrophobicContact CB-CD 4.36Å; Q186-K265 PolarHBondContact O-NZ 3.4Å
187A97.8Very high98.4Very high66 Ų6635.2 Ų35.255%0.54520%0.195SC..SBendtrans-68.6-36.7176.900000112D91 N189D91-A187 WeakPolarHBondContact O-CB 3.45Å; D91-A187 PolarHBondContact O-N 3.26Å; A187-N189 PolarHBondContact O-N 2.81Å
188N96.7Very high98.4Very high61 Ų6134.7 Ų34.733%0.32619%0.19SC..  trans-76.3119.6172.7-176.8-1.8000110.4H190 L191N188-H190 VanDerWaalsContact C-N 3.34Å; N188-H190 PolarHBondContact OD1-N 2.75Å; N188-L191 HydrophobicContact CB-CD2 3.76Å; N188-L191 HydrophobicContact CB-CG 4.31Å
189N96.7Very high98.4Very high90 Ų9034.1 Ų34.148%0.48119%0.187SC..SBendtrans-84-7.1-178.8-65.7-57.7000114.2A187 K265A187-N189 PolarHBondContact O-N 2.81Å; N189-K265 WeakPolarHBondContact OD1-CE 3.43Å; N189-K265 PolarHBondContact OD1-NZ 3Å
190H97.7Very high98.4Very high111 Ų11134.1 Ų34.151%0.51419%0.187SC..SBendtrans-112.243.9-171.6-60.1-69.3000112.6N188 A262N188-H190 VanDerWaalsContact C-N 3.34Å; N188-H190 PolarHBondContact OD1-N 2.75Å; H190-A262 CarbonylContact C-O 3.48Å; H190-A262 WeakPolarHBondContact CA-O 3.42Å; H190-A262 WeakPolarHBondContact CB-O 3.34Å; H190-A262 PolarHBondContact O-N 2.83Å; H190-A262 VanDerWaalsContact O-N 3.13Å
191L98.5Very high98.4Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-136.8158.9177.857.772.1000112.1A93 V95 V183 Q186 N188 F193 V259 I260 S264 K265A93-L191 HydrophobicContact CB-CD2 4.04Å; A93-L191 VanDerWaalsContact O-CD2 3.23Å; A93-L191 WeakPolarHBondContact O-CD2 3.5Å; V95-L191 HydrophobicContact CG2-CB 4.21Å; V183-L191 HydrophobicContact CG2-CD1 3.46Å; V183-L191 VanDerWaalsContact CG2-CD1 3.46Å; Q186-L191 HydrophobicContact CB-CD1 4.17Å; Q186-L191 HydrophobicContact CB-CD2 4.4Å; Q186-L191 HydrophobicContact CG-CD1 4.04Å; N188-L191 HydrophobicContact CB-CD2 3.76Å; N188-L191 HydrophobicContact CB-CG 4.31Å; L191-F193 HydrophobicContact CD1-CE1 4.14Å; L191-V259 HydrophobicContact CB-CG1 4.04Å; L191-V259 HydrophobicContact CD2-CG1 4.02Å; L191-V259 HydrophobicContact CG-CG1 4.44Å; L191-I260 CarbonylContact C-O 3.6Å; L191-I260 WeakPolarHBondContact CA-O 3.24Å; L191-I260 WeakPolarHBondContact CB-O 3.44Å; L191-S264 CarbonylContact O-C 3.48Å; L191-S264 VanDerWaalsContact O-O 3.13Å; L191-K265 VanDerWaalsContact O-CA 3.29Å; L191-K265 WeakPolarHBondContact O-CA 3.46Å
192A98.7Very high98.4Very high0 Ų029.7 Ų29.70%016%0.162CC..EExtended strand (participates in β ladder)trans-139.4155.4171.100000111.1V259 I260 A262 S266 F268A192-V259 WeakPolarHBondContact O-CA 3.36Å; A192-I260 HydrophobicContact CB-CD1 4.46Å; A192-I260 HydrophobicContact CB-CG1 4.04Å; A192-I260 PolarHBondContact N-O 3Å; A192-I260 WeakPolarHBondContact O-CG1 3.33Å; A192-I260 PolarHBondContact O-N 3.44Å; A192-A262 HydrophobicContact CB-CB 3.56Å; A192-S266 CarbonylContact C-O 3.56Å; A192-S266 WeakPolarHBondContact CA-O 3.47Å; A192-S266 VanDerWaalsContact CB-O 3.31Å; A192-S266 WeakPolarHBondContact CB-O 3.36Å; A192-F268 HydrophobicContact CB-CE1 4.03Å
193F98.8Very high98.4Very high0 Ų029.8 Ų29.80%017%0.165CC..EExtended strand (participates in β ladder)trans-98.9108.1175.6-72.11.5000109A93 L99 A179 L182 V183 Q186 L191 V232 V259 S266 A267 F268A93-F193 HydrophobicContact CB-CE1 4.08Å; A93-F193 HydrophobicContact CB-CZ 4.18Å; L99-F193 HydrophobicContact CD1-CB 3.74Å; L99-F193 HydrophobicContact CD1-CD2 4.24Å; L99-F193 HydrophobicContact CD1-CG 3.94Å; L99-F193 HydrophobicContact CD2-CD1 4.29Å; L99-F193 HydrophobicContact CD2-CD2 4.05Å; L99-F193 HydrophobicContact CD2-CE1 4.41Å; L99-F193 HydrophobicContact CD2-CE2 4.16Å; L99-F193 HydrophobicContact CD2-CG 4.13Å; L99-F193 HydrophobicContact CD2-CZ 4.34Å; A179-F193 HydrophobicContact CB-CD2 4.46Å; L182-F193 HydrophobicContact CB-CE2 4.11Å; L182-F193 HydrophobicContact CD2-CE2 3.89Å; L182-F193 HydrophobicContact CD2-CZ 4.49Å; L182-F193 HydrophobicContact CG-CE2 3.81Å; L182-F193 HydrophobicContact CG-CZ 4.32Å; V183-F193 HydrophobicContact CB-CD1 4.39Å; V183-F193 HydrophobicContact CB-CD2 3.82Å; V183-F193 HydrophobicContact CB-CE1 4.43Å; V183-F193 HydrophobicContact CB-CE2 3.87Å; V183-F193 HydrophobicContact CB-CG 4.08Å; V183-F193 HydrophobicContact CB-CZ 4.18Å; V183-F193 HydrophobicContact CG2-CD1 3.88Å; V183-F193 HydrophobicContact CG2-CD2 4.21Å; V183-F193 HydrophobicContact CG2-CE1 3.97Å; V183-F193 HydrophobicContact CG2-CE2 4.3Å; V183-F193 HydrophobicContact CG2-CG 4Å; V183-F193 HydrophobicContact CG2-CZ 4.18Å; Q186-F193 HydrophobicContact CG-CZ 4.26Å; L191-F193 HydrophobicContact CD1-CE1 4.14Å; F193-V232 HydrophobicContact CE2-CG2 4.35Å; F193-V232 HydrophobicContact CZ-CG2 3.85Å; F193-V259 HydrophobicContact CD1-CB 4.4Å; F193-V259 HydrophobicContact CD1-CG1 4.18Å; F193-V259 HydrophobicContact CD1-CG2 3.82Å; F193-V259 HydrophobicContact CE1-CB 4.41Å; F193-V259 HydrophobicContact CE1-CG1 4Å; F193-V259 HydrophobicContact CE1-CG2 3.66Å; F193-S266 PolarHBondContact N-O 2.83Å; F193-A267 HydrophobicContact CB-CB 3.82Å; F193-A267 WeakPolarHBondContact O-CA 3.22Å; F193-F268 PolarHBondContact O-N 3.04Å
194S98.8Very high98.4Very high15 Ų1529.8 Ų29.811%0.10517%0.165CC..EExtended strand (participates in β ladder)trans-98.1103.9177.9173.90000109.5G257 D258 V270S194-G257 CarbonylContact O-C 3.6Å; S194-G257 WeakPolarHBondContact O-CA 3.48Å; S194-D258 PolarHBondContact N-O 3.1Å; S194-D258 PolarHBondContact O-N 3.39Å; S194-V270 WeakPolarHBondContact OG-CG1 3.39Å
195I98.9Very high98.4Very high0 Ų025.2 Ų25.20%014%0.143CC..EExtended strand (participates in β ladder)trans-91.7115.5-179.2-61.2172.3000109L99 L175 L176 A179 L198 I256 F268 L269 V270L99-I195 HydrophobicContact CD1-CG1 3.94Å; L175-I195 HydrophobicContact CD1-CD1 4.43Å; L175-I195 HydrophobicContact CD2-CD1 4.23Å; L175-I195 HydrophobicContact CD2-CG2 4.13Å; L175-I195 HydrophobicContact CG-CD1 4.05Å; L176-I195 HydrophobicContact CD1-CD1 4.29Å; A179-I195 HydrophobicContact CB-CD1 3.91Å; I195-L198 HydrophobicContact CG2-CD2 4.3Å; I195-I256 CarbonylContact C-O 3.39Å; I195-I256 HydrophobicContact CG2-CD1 4.17Å; I195-F268 PolarHBondContact N-O 3.48Å; I195-L269 HydrophobicContact CB-CD2 3.81Å; I195-L269 HydrophobicContact CG2-CD2 3.54Å; I195-L269 WeakPolarHBondContact O-CA 3.41Å; I195-V270 PolarHBondContact O-N 3.12Å
196H98.7Very high98.3Very high51 Ų5125.3 Ų25.324%0.23614%0.141CC..EExtended strand (participates in β ladder)trans-105.6-16.2-176.257.162.9000114.1I256 G257 D258 V270 P273 E274H196-I256 PolarHBondContact N-O 2.92Å; H196-I256 PolarHBondContact ND1-O 3.23Å; H196-G257 VanDerWaalsContact CD2-CA 3.48Å; H196-G257 WeakPolarHBondContact CD2-CA 3.26Å; H196-G257 VanDerWaalsContact NE2-CA 3.33Å; H196-G257 WeakPolarHBondContact NE2-CA 3.46Å; H196-G257 PolarHBondContact NE2-N 2.88Å; H196-D258 IonicContact CD2-OD2 3.61Å; H196-D258 PolarHBondContact CD2-OD2 3.39Å; H196-D258 VanDerWaalsContact CD2-OD2 3.26Å; H196-D258 IonicContact NE2-OD2 2.7Å; H196-V270 HydrophobicContact CB-CG1 4.07Å; H196-V270 HydrophobicContact CB-CG2 4.11Å; H196-P273 CarbonylContact O-C 2.99Å; H196-P273 VanDerWaalsContact O-CA 3.23Å; H196-P273 WeakPolarHBondContact O-CA 3.14Å; H196-E274 PolarHBondContact O-N 3.48Å
197T98.8Very high98.3Very high7 Ų725.2 Ų25.24%0.04314%0.14CC..EExtended strand (participates in β ladder)trans-133.7141.9-176.3-54.60000111.8I256 E274 I276T197-I256 PolarHBondContact N-O 3.32Å; T197-I256 WeakPolarHBondContact O-CB 3.28Å; T197-E274 CarbonylContact C-O 3.48Å; T197-E274 VanDerWaalsContact CA-O 3.3Å; T197-E274 WeakPolarHBondContact CA-O 3.48Å; T197-E274 HydrophobicContact CG2-CB 4.39Å; T197-I276 HydrophobicContact CG2-CD1 3.45Å; T197-I276 VanDerWaalsContact CG2-CD1 3.45Å; T197-I276 HydrophobicContact CG2-CG1 3.81Å
198L98.8Very high98.3Very high0 Ų022.1 Ų22.10%012%0.115CC..EExtended strand (participates in β ladder)trans-12594.7178.1-63.9178000109.2L105 L175 I195 C200 L269 P273 E274 V275 I276L105-L198 HydrophobicContact CD1-CB 4.42Å; L105-L198 HydrophobicContact CD1-CD2 3.84Å; L175-L198 HydrophobicContact CD2-CD2 3.62Å; I195-L198 HydrophobicContact CG2-CD2 4.3Å; L198-C200 PolarHBondContact O-N 2.64Å; L198-L269 HydrophobicContact CD1-CD2 4.39Å; L198-L269 HydrophobicContact CD2-CD2 3.83Å; L198-L269 HydrophobicContact CG-CD2 4.34Å; L198-P273 HydrophobicContact CD1-CB 4.18Å; L198-P273 HydrophobicContact CD1-CG 3.85Å; L198-P273 HydrophobicContact CG-CB 4.16Å; L198-P273 HydrophobicContact CG-CG 4.38Å; L198-E274 PolarHBondContact N-O 3.3Å; L198-V275 HydrophobicContact CB-CG2 4.44Å; L198-V275 WeakPolarHBondContact O-CA 3.48Å; L198-I276 PolarHBondContact O-N 3.48Å
199P98.8Very high98.3Very high0 Ų025.7 Ų25.70%012%0.123CC..EExtended strand (participates in β ladder)trans-73.2111.9170.930.7-32.9000109.2L101 P104 L105 W254 I256 V278L101-P199 HydrophobicContact CD2-CG 3.84Å; P104-P199 CarbonylContact C-O 3.58Å; P104-P199 WeakPolarHBondContact CA-O 3.43Å; L105-P199 PolarHBondContact N-O 2.99Å; P199-W254 HydrophobicContact CB-CB 4.48Å; P199-W254 HydrophobicContact CB-CD2 3.34Å; P199-W254 HydrophobicContact CB-CE3 3.58Å; P199-W254 HydrophobicContact CB-CG 3.76Å; P199-W254 HydrophobicContact CB-CH2 4.25Å; P199-W254 HydrophobicContact CB-CZ2 4.03Å; P199-W254 HydrophobicContact CB-CZ3 4.05Å; P199-W254 HydrophobicContact CG-CB 4.14Å; P199-W254 HydrophobicContact CG-CD2 3.6Å; P199-W254 HydrophobicContact CG-CE3 3.47Å; P199-W254 VanDerWaalsContact CG-CE3 3.47Å; P199-W254 HydrophobicContact CG-CG 3.9Å; P199-W254 HydrophobicContact CG-CZ3 4.15Å; P199-I256 HydrophobicContact CG-CG2 3.97Å; P199-V278 HydrophobicContact CB-CG2 3.85Å
200C98.8Very high98.3Very high0 Ų023.2 Ų23.20%012%0.115CC..EExtended strand (participates in β ladder)trans-116.7143.1-175.3-70.70000109.4L198 E202 S204 A205 V275 I276 V278L198-C200 PolarHBondContact O-N 2.64Å; C200-E202 PolarHBondContact O-N 2.89Å; C200-S204 WeakPolarHBondContact CB-OG 3.4Å; C200-A205 HydrophobicContact CB-CB 4.4Å; C200-V275 HydrophobicContact CB-CG1 4.27Å; C200-I276 PolarHBondContact N-O 3.49Å; C200-I276 VanDerWaalsContact O-O 3.1Å; C200-V278 WeakPolarHBondContact O-CB 3.49Å; C200-V278 PolarHBondContact O-N 2.87Å
201L98.8Very high98.2Very high0 Ų018.1 Ų18.10%09%0.092CC..EExtended strand (participates in β ladder)trans-55.9132170.7-71.8168000109.9P104 L105 T107 L140 A144 G203 S204 I283P104-L201 HydrophobicContact CB-CD2 4.14Å; P104-L201 HydrophobicContact CB-CG 4.07Å; P104-L201 HydrophobicContact CG-CD2 3.56Å; P104-L201 HydrophobicContact CG-CG 3.86Å; L105-L201 PolarHBondContact O-N 3Å; T107-L201 HydrophobicContact CG2-CD1 4.4Å; L140-L201 HydrophobicContact CD1-CB 3.49Å; L140-L201 VanDerWaalsContact CD1-CB 3.49Å; L140-L201 HydrophobicContact CD1-CD1 4.17Å; L140-L201 HydrophobicContact CD1-CG 4.43Å; A144-L201 HydrophobicContact CB-CD1 3.71Å; L201-G203 PolarHBondContact O-N 3Å; L201-S204 WeakPolarHBondContact O-CB 3.43Å; L201-S204 PolarHBondContact O-N 3.04Å; L201-S204 PolarHBondContact O-OG 3.44Å; L201-I283 HydrophobicContact CD2-CD1 4.41Å; L201-I283 HydrophobicContact CD2-CG1 3.87Å
202E98.5Very high98.1Very high39 Ų3925.3 Ų25.318%0.18213%0.131CC..THydrogen-bonded Turntrans-48.8124.8-174-174.7-166.5175.100112.6K136 C200 S204 D277 V278 Q279 H280K136-E202 WeakPolarHBondContact CE-OE1 3.4Å; K136-E202 IonicContact NZ-OE1 2.73Å; K136-E202 PolarHBondContact NZ-OE1 3.38Å; K136-E202 IonicContact NZ-OE2 2.61Å; K136-E202 PolarHBondContact NZ-OE2 3.3Å; C200-E202 PolarHBondContact O-N 2.89Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 2.97Å; E202-D277 HydrophobicContact CB-CB 4.43Å; E202-D277 HydrophobicContact CG-CB 4.28Å; E202-V278 WeakPolarHBondContact CB-O 3.31Å; E202-V278 PolarHBondContact N-O 3.29Å; E202-Q279 PolarHBondContact OE2-OE1 3.01Å; E202-H280 PolarHBondContact O-NE2 3.37Å; E202-H280 IonicContact OE2-CG 3.95Å
203G98.3Very high98Very high8 Ų826.2 Ų26.28%0.08214%0.135CC..THydrogen-bonded Turntrans87.4-15.6-179.300000115.3L201 L206 I207L201-G203 PolarHBondContact O-N 3Å; G203-L206 WeakPolarHBondContact O-CB 3.48Å; G203-L206 PolarHBondContact O-N 3.38Å; G203-I207 WeakPolarHBondContact O-CD1 3.23Å; G203-I207 VanDerWaalsContact O-CG1 3.29Å; G203-I207 WeakPolarHBondContact O-CG1 3.3Å; G203-I207 PolarHBondContact O-N 3.25Å
204S98.5Very high97.9Very high0 Ų033.2 Ų33.20%016%0.162CC..Hα-helixtrans-64-40.917464.30000112.2C200 L201 E202 I207 S208C200-S204 WeakPolarHBondContact CB-OG 3.4Å; L201-S204 WeakPolarHBondContact O-CB 3.43Å; L201-S204 PolarHBondContact O-N 3.04Å; L201-S204 PolarHBondContact O-OG 3.44Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 2.97Å; S204-I207 PolarHBondContact O-N 2.89Å; S204-S208 PolarHBondContact O-N 3.11Å
205A98.3Very high97.8Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-66.1-3917500000112.2C200 S208 R209 L218 V275C200-A205 HydrophobicContact CB-CB 4.4Å; A205-S208 PolarHBondContact O-N 3.26Å; A205-R209 WeakPolarHBondContact O-CG 3.35Å; A205-R209 PolarHBondContact O-N 2.67Å; A205-L218 HydrophobicContact CB-CD2 4.11Å; A205-V275 HydrophobicContact CB-CG1 3.65Å
206L98Very high97.7Very high82 Ų8239.2 Ų39.243%0.42919%0.187SC..Hα-helixtrans-59.4-50.1173.717667.6000111V131 G203 S208 R209 A210V131-L206 HydrophobicContact CG1-CD1 4.2Å; V131-L206 HydrophobicContact CG1-CD2 4.06Å; V131-L206 HydrophobicContact CG1-CG 3.85Å; G203-L206 WeakPolarHBondContact O-CB 3.48Å; G203-L206 PolarHBondContact O-N 3.38Å; L206-S208 VanDerWaalsContact C-N 3.3Å; L206-S208 PolarHBondContact O-N 3.22Å; L206-R209 PolarHBondContact O-N 3.27Å; L206-A210 PolarHBondContact O-N 2.8Å
207I98.2Very high97.7Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-58.5-44.9176.1-69161.6000110.2V109 V113 L128 I132 L140 G203 S204 R209 A210 L211V109-I207 HydrophobicContact CG1-CB 3.88Å; V109-I207 HydrophobicContact CG1-CD1 4.24Å; V109-I207 HydrophobicContact CG1-CG2 3.57Å; V113-I207 HydrophobicContact CB-CD1 4.29Å; V113-I207 HydrophobicContact CG1-CD1 3.79Å; V113-I207 HydrophobicContact CG2-CD1 4.26Å; L128-I207 HydrophobicContact CD1-CG2 4.07Å; L128-I207 HydrophobicContact CD2-CB 4.41Å; L128-I207 HydrophobicContact CD2-CG1 4.39Å; L128-I207 HydrophobicContact CD2-CG2 3.95Å; I132-I207 HydrophobicContact CD1-CD1 3.81Å; I132-I207 HydrophobicContact CD1-CG1 4.12Å; I132-I207 HydrophobicContact CG2-CD1 4.38Å; I132-I207 HydrophobicContact CG2-CG1 4.12Å; L140-I207 HydrophobicContact CD2-CD1 3.64Å; G203-I207 WeakPolarHBondContact O-CD1 3.23Å; G203-I207 VanDerWaalsContact O-CG1 3.29Å; G203-I207 WeakPolarHBondContact O-CG1 3.3Å; G203-I207 PolarHBondContact O-N 3.25Å; S204-I207 PolarHBondContact O-N 2.89Å; I207-R209 PolarHBondContact O-N 3.38Å; I207-A210 PolarHBondContact O-N 3.34Å; I207-L211 HydrophobicContact CG2-CD1 3.95Å; I207-L211 WeakPolarHBondContact O-CG 3.41Å; I207-L211 PolarHBondContact O-N 2.88Å; I207-L211 VanDerWaalsContact O-N 3.1Å
208S97.6Very high97.7Very high1 Ų138.1 Ų38.11%0.00718%0.183CC..Hα-helixtrans-60.9-46.2-179.5-147.40000111.5S204 A205 L206 A210 L211 N212 D213S204-S208 PolarHBondContact O-N 3.11Å; A205-S208 PolarHBondContact O-N 3.26Å; L206-S208 VanDerWaalsContact C-N 3.3Å; L206-S208 PolarHBondContact O-N 3.22Å; S208-A210 PolarHBondContact O-N 2.92Å; S208-L211 CarbonylContact O-C 3.47Å; S208-L211 PolarHBondContact O-N 3.31Å; S208-L211 VanDerWaalsContact O-N 3.09Å; S208-N212 PolarHBondContact O-N 2.8Å; S208-D213 WeakPolarHBondContact O-CA 3.34Å; S208-D213 PolarHBondContact O-N 3.23Å; S208-D213 PolarHBondContact OG-OD1 2.95Å
209R96.9Very high97.7Very high135 Ų13542.4 Ų42.451%0.50920%0.203SC..Hα-helixtrans-60-44.4175.9-68.8177.1-174.3121.9-1.8112A205 L206 I207 L211 N212 L218A205-R209 WeakPolarHBondContact O-CG 3.35Å; A205-R209 PolarHBondContact O-N 2.67Å; L206-R209 PolarHBondContact O-N 3.27Å; I207-R209 PolarHBondContact O-N 3.38Å; R209-L211 PolarHBondContact O-N 3.11Å; R209-N212 PolarHBondContact O-N 3.46Å; R209-L218 HydrophobicContact CG-CD1 3.57Å
210A96.5Very high97.7Very high38 Ų3842.6 Ų42.631%0.31420%0.204SC..Hα-helixtrans-61.4-23.6177.500000113.4L128 V131 L206 I207 S208L128-A210 HydrophobicContact CD2-CB 3.96Å; V131-A210 HydrophobicContact CB-CB 4.48Å; V131-A210 HydrophobicContact CG1-CB 3.92Å; V131-A210 HydrophobicContact CG2-CB 4.05Å; L206-A210 PolarHBondContact O-N 2.8Å; I207-A210 PolarHBondContact O-N 3.34Å; S208-A210 PolarHBondContact O-N 2.92Å
211L95.5Very high97.6Very high5 Ų546.6 Ų46.63%0.02622%0.222CC..THydrogen-bonded Turntrans-100.315.6176.5-62176000113.6W116 N127 L128 I207 S208 R209 D213 R214W116-L211 HydrophobicContact CH2-CD1 4.29Å; W116-L211 HydrophobicContact CZ3-CD1 3.66Å; N127-L211 HydrophobicContact CB-CD2 4.17Å; L128-L211 HydrophobicContact CD1-CD1 4.2Å; L128-L211 HydrophobicContact CD1-CD2 4.33Å; L128-L211 HydrophobicContact CD1-CG 4.49Å; L128-L211 HydrophobicContact CD2-CD2 4.24Å; L128-L211 HydrophobicContact CD2-CG 4.16Å; L128-L211 HydrophobicContact CG-CD2 4.18Å; I207-L211 HydrophobicContact CG2-CD1 3.95Å; I207-L211 WeakPolarHBondContact O-CG 3.41Å; I207-L211 PolarHBondContact O-N 2.88Å; I207-L211 VanDerWaalsContact O-N 3.1Å; S208-L211 CarbonylContact O-C 3.47Å; S208-L211 PolarHBondContact O-N 3.31Å; S208-L211 VanDerWaalsContact O-N 3.09Å; R209-L211 PolarHBondContact O-N 3.11Å; L211-D213 PolarHBondContact O-N 2.87Å; L211-R214 HydrophobicContact CB-CB 4.33Å; L211-R214 WeakPolarHBondContact O-CB 3.1Å; L211-R214 PolarHBondContact O-N 2.85Å
212N96Very high97.6Very high151 Ų15146.7 Ų46.781%0.80722%0.223SC*.THydrogen-bonded Turntrans5339.5-173.9-60.4-53.1000112.9S208 R209 R214S208-N212 PolarHBondContact O-N 2.8Å; R209-N212 PolarHBondContact O-N 3.46Å; N212-R214 PolarHBondContact O-N 2.93Å; N212-R214 VanDerWaalsContact O-N 3.16Å
213D96.5Very high97.6Very high18 Ų1847 Ų4710%0.09623%0.228CC..THydrogen-bonded Turntrans52.234.6-177.8-159.548.5000114S208 L211 L215 K216 L217 L218 Q219S208-D213 WeakPolarHBondContact O-CA 3.34Å; S208-D213 PolarHBondContact O-N 3.23Å; S208-D213 PolarHBondContact OG-OD1 2.95Å; L211-D213 PolarHBondContact O-N 2.87Å; D213-L215 PolarHBondContact O-N 3.42Å; D213-L215 VanDerWaalsContact O-N 3.15Å; D213-K216 WeakPolarHBondContact O-CA 3.45Å; D213-K216 PolarHBondContact O-N 2.86Å; D213-K216 WeakPolarHBondContact OD2-CA 3.46Å; D213-L217 PolarHBondContact OD1-N 2.88Å; D213-L218 PolarHBondContact OD1-N 3.25Å; D213-L218 PolarHBondContact OD2-N 3.43Å; D213-Q219 VanDerWaalsContact OD2-CG 3.27Å; D213-Q219 WeakPolarHBondContact OD2-CG 3.18Å; D213-Q219 PolarHBondContact OD2-N 3.41Å; D213-Q219 VanDerWaalsContact OD2-N 3.09Å; D213-Q219 PolarHBondContact OD2-NE2 3.03Å
214R96.2Very high97.6Very high148 Ų14846.9 Ų46.956%0.55823%0.225SC*.THydrogen-bonded Turntrans-54.1-34.9179.3-175.4-174.5-57.9-1781.6113.3L211 N212 K216L211-R214 HydrophobicContact CB-CB 4.33Å; L211-R214 WeakPolarHBondContact O-CB 3.1Å; L211-R214 PolarHBondContact O-N 2.85Å; N212-R214 PolarHBondContact O-N 2.93Å; N212-R214 VanDerWaalsContact O-N 3.16Å; R214-K216 VanDerWaalsContact C-N 3.26Å
215L96.7Very high97.6Very high32 Ų3250.1 Ų50.117%0.16825%0.245CC..THydrogen-bonded Turntrans-85.53.3177.5-62.9179.1000113.1V109 W116 D213 L217 S222V109-L215 HydrophobicContact CB-CD1 4.29Å; V109-L215 HydrophobicContact CG1-CD1 4.44Å; V109-L215 HydrophobicContact CG2-CB 4.19Å; V109-L215 HydrophobicContact CG2-CD1 3.92Å; W116-L215 HydrophobicContact CH2-CD1 3.97Å; W116-L215 HydrophobicContact CH2-CD2 4.1Å; W116-L215 HydrophobicContact CH2-CG 4.27Å; W116-L215 HydrophobicContact CZ3-CD1 4.29Å; D213-L215 PolarHBondContact O-N 3.42Å; D213-L215 VanDerWaalsContact O-N 3.15Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 PolarHBondContact O-N 3.5Å; L215-S222 WeakPolarHBondContact O-CA 3.38Å; L215-S222 WeakPolarHBondContact O-CB 3.49Å; L215-S222 PolarHBondContact O-OG 3.28Å
216K98.2Very high97.6Very high108 Ų10850.1 Ų50.147%0.4725%0.245SC..  trans56.630.4174.5-54.1-176.8177.8-178.40115D213 R214 Q219 G220 F221 S222D213-K216 WeakPolarHBondContact O-CA 3.45Å; D213-K216 PolarHBondContact O-N 2.86Å; D213-K216 WeakPolarHBondContact OD2-CA 3.46Å; R214-K216 VanDerWaalsContact C-N 3.26Å; K216-Q219 HydrophobicContact CB-CB 4.32Å; K216-G220 PolarHBondContact O-N 2.58Å; K216-F221 HydrophobicContact CB-CB 3.93Å; K216-F221 HydrophobicContact CD-CB 4.12Å; K216-F221 CarbonylContact O-C 3.58Å; K216-F221 PolarHBondContact O-N 3Å; K216-S222 PolarHBondContact O-N 3.49Å
217L98.6Very high97.6Very high1 Ų146.4 Ų46.41%0.00523%0.226CC..THydrogen-bonded Turntrans-65-49.9177.9175.461.8000111.1L105 V109 D213 L215 Q219 G220L105-L217 HydrophobicContact CB-CD1 3.77Å; V109-L217 HydrophobicContact CG2-CB 4.04Å; V109-L217 HydrophobicContact CG2-CD2 3.87Å; V109-L217 HydrophobicContact CG2-CG 4.46Å; D213-L217 PolarHBondContact OD1-N 2.88Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 PolarHBondContact O-N 3.5Å; L217-Q219 VanDerWaalsContact C-N 3.28Å; L217-Q219 PolarHBondContact O-N 3.13Å; L217-G220 PolarHBondContact O-N 2.81Å
218L98.4Very high97.6Very high35 Ų3546.5 Ų46.518%0.18323%0.228CC..THydrogen-bonded Turntrans-76.9-19-176.2-58.6-178.9000112.6A205 R209 D213 G220 L269 V275A205-L218 HydrophobicContact CB-CD2 4.11Å; R209-L218 HydrophobicContact CG-CD1 3.57Å; D213-L218 PolarHBondContact OD1-N 3.25Å; D213-L218 PolarHBondContact OD2-N 3.43Å; L218-G220 VanDerWaalsContact C-N 3.28Å; L218-L269 WeakPolarHBondContact O-CD1 3.33Å; L218-V275 HydrophobicContact CD2-CG2 4.03Å
219Q98Very high97.7Very high90 Ų9046.5 Ų46.542%0.42123%0.227SC..THydrogen-bonded Turntrans-80.7-4.6166.1-71.2165.176.800113.4D213 K216 L217 F221 L269D213-Q219 VanDerWaalsContact OD2-CG 3.27Å; D213-Q219 WeakPolarHBondContact OD2-CG 3.18Å; D213-Q219 PolarHBondContact OD2-N 3.41Å; D213-Q219 VanDerWaalsContact OD2-N 3.09Å; D213-Q219 PolarHBondContact OD2-NE2 3.03Å; K216-Q219 HydrophobicContact CB-CB 4.32Å; L217-Q219 VanDerWaalsContact C-N 3.28Å; L217-Q219 PolarHBondContact O-N 3.13Å; Q219-F221 VanDerWaalsContact C-N 3.33Å; Q219-F221 HydrophobicContact CB-CD2 4.03Å; Q219-F221 VanDerWaalsContact O-CD2 3.24Å; Q219-F221 WeakPolarHBondContact O-CD2 3.02Å; Q219-F221 PolarHBondContact O-N 3.45Å; Q219-L269 VanDerWaalsContact C-CD1 3.46Å; Q219-L269 WeakPolarHBondContact O-CD1 3.43Å
220G98.2Very high97.8Very high3 Ų340 Ų403%0.03120%0.203CC..THydrogen-bonded Turntrans74.914.3178.700000115.2G174 L175 L176 K216 L217 L218G174-G220 CarbonylContact C-O 3.48Å; G174-G220 VanDerWaalsContact C-O 3.32Å; L175-G220 PolarHBondContact N-O 2.76Å; L176-G220 WeakPolarHBondContact CB-O 3.41Å; L176-G220 PolarHBondContact N-O 3.17Å; K216-G220 PolarHBondContact O-N 2.58Å; L217-G220 PolarHBondContact O-N 2.81Å; L218-G220 VanDerWaalsContact C-N 3.28Å
221F98.6Very high97.9Very high85 Ų8538.2 Ų38.237%0.37319%0.188SC..  trans-1129.7-178.9-65-71.3000113.6L176 K216 Q219L176-F221 HydrophobicContact CB-CD1 4.44Å; L176-F221 HydrophobicContact CB-CE1 4.1Å; L176-F221 HydrophobicContact CB-CZ 4.17Å; L176-F221 HydrophobicContact CD2-CE1 4.37Å; L176-F221 HydrophobicContact CD2-CE2 3.73Å; L176-F221 HydrophobicContact CD2-CZ 3.6Å; L176-F221 HydrophobicContact CG-CE1 4.21Å; L176-F221 HydrophobicContact CG-CE2 4.43Å; L176-F221 HydrophobicContact CG-CZ 3.9Å; K216-F221 HydrophobicContact CB-CB 3.93Å; K216-F221 HydrophobicContact CD-CB 4.12Å; K216-F221 CarbonylContact O-C 3.58Å; K216-F221 PolarHBondContact O-N 3Å; Q219-F221 VanDerWaalsContact C-N 3.33Å; Q219-F221 HydrophobicContact CB-CD2 4.03Å; Q219-F221 VanDerWaalsContact O-CD2 3.24Å; Q219-F221 WeakPolarHBondContact O-CD2 3.02Å; Q219-F221 PolarHBondContact O-N 3.45Å
222S98.5Very high98Very high2 Ų238 Ų381%0.01419%0.187CC..SBendtrans-69.9131.1172.5-146.70000109.6G174 L215 K216G174-S222 WeakPolarHBondContact CA-O 3.24Å; L215-S222 WeakPolarHBondContact O-CA 3.38Å; L215-S222 WeakPolarHBondContact O-CB 3.49Å; L215-S222 PolarHBondContact O-OG 3.28Å; K216-S222 PolarHBondContact O-N 3.49Å
223P98.5Very high98.2Very high46 Ų4630.8 Ų30.830%0.29915%0.149SC..  trans-55.3140.7172.4-26.534.3000111.9Q108Q108-P223 HydrophobicContact CB-CB 4.47Å; Q108-P223 WeakPolarHBondContact CB-O 3.17Å
224E98.4Very high98.3Very high5 Ų530.5 Ų30.52%0.02315%0.148CC..  trans-121.490.5175.7-60-60168.400110.1L105 G106 T107 V170 T171 S226 G227L105-E224 WeakPolarHBondContact CA-OE1 3.39Å; L105-E224 WeakPolarHBondContact CB-OE1 3.38Å; L105-E224 HydrophobicContact CD2-CG 3.89Å; G106-E224 VanDerWaalsContact N-CD 3.34Å; G106-E224 PolarHBondContact N-OE1 3.42Å; G106-E224 PolarHBondContact N-OE2 2.91Å; G106-E224 VanDerWaalsContact N-OE2 3.13Å; T107-E224 WeakPolarHBondContact CB-OE2 3.38Å; T107-E224 PolarHBondContact N-OE2 3.45Å; T107-E224 WeakPolarHBondContact OG1-CA 3.46Å; T107-E224 PolarHBondContact OG1-OE2 2.96Å; V170-E224 HydrophobicContact CG1-CB 4.16Å; V170-E224 HydrophobicContact CG1-CG 4.02Å; T171-E224 VanDerWaalsContact CA-O 3.29Å; T171-E224 WeakPolarHBondContact CA-O 3.48Å; T171-E224 PolarHBondContact O-N 2.98Å; E224-S226 PolarHBondContact O-N 3.16Å; E224-G227 PolarHBondContact O-N 3.05Å; E224-G227 VanDerWaalsContact O-N 3.15Å
225T97.3Very high98.4Very high68 Ų6829.1 Ų29.142%0.41714%0.142SC..THydrogen-bonded Turntrans-61.2125.5-176.5-640000109.9I4 T107 M148 G227I4-T225 HydrophobicContact CG2-CG2 3.97Å; T107-T225 PolarHBondContact OG1-N 3.28Å; M148-T225 WeakPolarHBondContact CG-O 3.41Å; M148-T225 HydrophobicContact SD-CG2 3.82Å; T225-G227 PolarHBondContact O-N 2.78Å
226S98.1Very high98.5Very high0 Ų035.5 Ų35.50%017%0.171CC..THydrogen-bonded Turntrans49.441.5-176.4-167.80000113.7C7 N8 K103 M148 E224C7-S226 VanDerWaalsContact CB-OG 3.28Å; C7-S226 WeakPolarHBondContact CB-OG 3.47Å; N8-S226 PolarHBondContact N-OG 2.89Å; N8-S226 WeakPolarHBondContact OD1-CA 3.32Å; N8-S226 PolarHBondContact OD1-N 2.89Å; K103-S226 PolarHBondContact NZ-O 3.42Å; M148-S226 WeakPolarHBondContact O-CB 3.45Å; M148-S226 PolarHBondContact O-OG 2.98Å; M148-S226 VanDerWaalsContact O-OG 3.05Å; E224-S226 PolarHBondContact O-N 3.16Å
227G98.6Very high98.5Very high3 Ų331 Ų313%0.03115%0.154CC..  trans-65.7-172.5-179.300000114.4K103 N152 V170 E224 T225K103-G227 PolarHBondContact NZ-O 2.75Å; N152-G227 PolarHBondContact ND2-O 3Å; V170-G227 VanDerWaalsContact O-CA 3.25Å; V170-G227 WeakPolarHBondContact O-CA 3.31Å; V170-G227 PolarHBondContact O-N 3.43Å; E224-G227 PolarHBondContact O-N 3.05Å; E224-G227 VanDerWaalsContact O-N 3.15Å; T225-G227 PolarHBondContact O-N 2.78Å
228G98.6Very high98.5Very high3 Ų331 Ų313%0.03115%0.154CC..  trans-83.5178.6-178.100000112.4T102 D169 V170T102-G228 WeakPolarHBondContact OG1-CA 3.48Å; D169-G228 CarbonylContact C-O 3.57Å; D169-G228 WeakPolarHBondContact CA-O 3.47Å; V170-G228 PolarHBondContact N-O 2.88Å
229L98.9Very high98.5Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-83.8138167.3-58.5-172.4000109.7A15 L101 T102 N152 A155 M159 T168 D169 I231A15-L229 HydrophobicContact CB-CD2 4.35Å; L101-L229 WeakPolarHBondContact CA-O 3.47Å; T102-L229 HydrophobicContact CG2-CB 4.1Å; T102-L229 PolarHBondContact N-O 2.92Å; T102-L229 PolarHBondContact OG1-N 3.47Å; N152-L229 HydrophobicContact CB-CD1 4.1Å; N152-L229 HydrophobicContact CB-CD2 3.86Å; N152-L229 HydrophobicContact CB-CG 3.79Å; A155-L229 HydrophobicContact CB-CD1 3.82Å; A155-L229 HydrophobicContact CB-CG 4.5Å; M159-L229 HydrophobicContact SD-CD1 3.76Å; T168-L229 CarbonylContact O-C 3.51Å; T168-L229 WeakPolarHBondContact O-CA 3.42Å; D169-L229 HydrophobicContact CB-CD2 3.8Å; L229-I231 HydrophobicContact CB-CD1 3.96Å; L229-I231 HydrophobicContact CB-CG1 3.65Å; L229-I231 HydrophobicContact CD1-CD1 4.33Å
230L98.9Very high98.5Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-100.9104.5162.7176.366.5000107.6L99 V100 C167 T168 V170 L175 A179 I256L99-L230 HydrophobicContact CB-CD1 4.06Å; V100-L230 CarbonylContact O-C 3.57Å; V100-L230 WeakPolarHBondContact O-CA 3.34Å; C167-L230 WeakPolarHBondContact CA-O 3.3Å; T168-L230 HydrophobicContact CG2-CB 4.03Å; T168-L230 HydrophobicContact CG2-CD2 4.25Å; T168-L230 PolarHBondContact N-O 3.23Å; T168-L230 PolarHBondContact O-N 2.76Å; V170-L230 HydrophobicContact CG2-CB 3.81Å; L175-L230 HydrophobicContact CD1-CD1 4.01Å; L175-L230 HydrophobicContact CD1-CD2 4.04Å; L175-L230 HydrophobicContact CD1-CG 4.48Å; A179-L230 HydrophobicContact CB-CD2 3.7Å; L230-I256 HydrophobicContact CD1-CD1 3.81Å; L230-I256 HydrophobicContact CD1-CG1 4.36Å
231I98.9Very high98.6Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans-109.5134.5-169.4-49.1170.7000109.3L99 V100 T102 A155 M159 A164 C167 L229 L233 F241L99-I231 CarbonylContact C-O 3.57Å; L99-I231 WeakPolarHBondContact CA-O 3.44Å; V100-I231 PolarHBondContact N-O 3.28Å; V100-I231 PolarHBondContact O-N 3.06Å; T102-I231 HydrophobicContact CG2-CD1 3.64Å; T102-I231 HydrophobicContact CG2-CG1 4.41Å; A155-I231 HydrophobicContact CB-CD1 4.47Å; M159-I231 HydrophobicContact CG-CD1 3.81Å; M159-I231 HydrophobicContact CG-CG1 4.3Å; M159-I231 HydrophobicContact CG-CG2 3.8Å; M159-I231 HydrophobicContact SD-CD1 4.04Å; M159-I231 HydrophobicContact SD-CG1 4.16Å; M159-I231 HydrophobicContact SD-CG2 4.33Å; A164-I231 HydrophobicContact CB-CG2 3.69Å; C167-I231 HydrophobicContact CB-CG1 4.42Å; C167-I231 HydrophobicContact CB-CG2 4.46Å; L229-I231 HydrophobicContact CB-CD1 3.96Å; L229-I231 HydrophobicContact CB-CG1 3.65Å; L229-I231 HydrophobicContact CD1-CD1 4.33Å; I231-L233 HydrophobicContact CB-CD1 4.44Å; I231-L233 HydrophobicContact CG2-CD1 4.03Å; I231-L233 HydrophobicContact CG2-CD2 4.43Å; I231-L233 HydrophobicContact CG2-CG 3.8Å; I231-F241 HydrophobicContact CD1-CE1 3.9Å; I231-F241 HydrophobicContact CD1-CE2 4Å; I231-F241 HydrophobicContact CD1-CZ 3.32Å
232V98.9Very high98.6Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-90.6119168.4-174.20000108.4A93 D97 V98 L99 A164 H165 G166 L182 F193 V259A93-V232 HydrophobicContact CB-CG1 3.8Å; A93-V232 HydrophobicContact CB-CG2 4.33Å; D97-V232 HydrophobicContact CB-CG1 3.66Å; D97-V232 VanDerWaalsContact OD2-CG1 3.3Å; D97-V232 WeakPolarHBondContact OD2-CG1 3.41Å; V98-V232 WeakPolarHBondContact O-CA 3.37Å; L99-V232 HydrophobicContact CD2-CG2 3.84Å; A164-V232 CarbonylContact C-O 3.59Å; A164-V232 WeakPolarHBondContact CA-O 3.11Å; H165-V232 HydrophobicContact CB-CB 4.4Å; H165-V232 HydrophobicContact CB-CG1 4.09Å; H165-V232 PolarHBondContact N-O 3.49Å; G166-V232 PolarHBondContact O-N 3.23Å; L182-V232 HydrophobicContact CD2-CG2 4.08Å; F193-V232 HydrophobicContact CE2-CG2 4.35Å; F193-V232 HydrophobicContact CZ-CG2 3.85Å; V232-V259 HydrophobicContact CG1-CG2 3.93Å
233L98.9Very high98.6Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-129.3147.5-176.9-80.7161.4000111.7D97 V98 V100 H162 A164 I231 R235 A238 F241D97-L233 WeakPolarHBondContact CA-O 3.43Å; D97-L233 WeakPolarHBondContact CB-O 3.5Å; V98-L233 HydrophobicContact CG2-CB 4.47Å; V98-L233 PolarHBondContact N-O 3.09Å; V98-L233 PolarHBondContact O-N 2.81Å; V100-L233 HydrophobicContact CB-CD1 4.12Å; V100-L233 HydrophobicContact CG2-CD1 3.8Å; H162-L233 HydrophobicContact CB-CD2 3.84Å; H162-L233 WeakPolarHBondContact O-CD2 3.48Å; A164-L233 HydrophobicContact CB-CD2 3.82Å; A164-L233 HydrophobicContact CB-CG 4.39Å; I231-L233 HydrophobicContact CB-CD1 4.44Å; I231-L233 HydrophobicContact CG2-CD1 4.03Å; I231-L233 HydrophobicContact CG2-CD2 4.43Å; I231-L233 HydrophobicContact CG2-CG 3.8Å; L233-R235 PolarHBondContact O-N 2.61Å; L233-A238 HydrophobicContact CB-CB 4.19Å; L233-F241 HydrophobicContact CD1-CB 3.99Å; L233-F241 HydrophobicContact CD1-CD1 3.89Å; L233-F241 HydrophobicContact CD1-CD2 4Å; L233-F241 HydrophobicContact CD1-CE1 4.43Å; L233-F241 HydrophobicContact CD1-CG 3.68Å
234P98.7Very high98.6Very high12 Ų1234.2 Ų34.28%0.07817%0.171CC..  trans-55133.7164.2-21.330.3000110.4H163 E236 S237 A238H163-P234 WeakPolarHBondContact O-CD 3.02Å; P234-E236 HydrophobicContact CB-CG 4.45Å; P234-E236 PolarHBondContact O-N 3.45Å; P234-S237 PolarHBondContact O-N 3.32Å; P234-S237 PolarHBondContact O-OG 3.24Å; P234-A238 PolarHBondContact O-N 3.41Å
235R98.7Very high98.6Very high119 Ų11934.1 Ų34.145%0.44917%0.171SC..Hα-helixtrans-54.7-40.1-174.1-176.6172.9-58.1-87.1-8.1113.1G96 V98 L233 S237 A238 D258G96-R235 PolarHBondContact O-NE 2.73Å; G96-R235 PolarHBondContact O-NH2 3.43Å; G96-R235 VanDerWaalsContact O-NH2 3.14Å; V98-R235 HydrophobicContact CG1-CB 4.16Å; V98-R235 HydrophobicContact CG1-CG 4.06Å; V98-R235 VanDerWaalsContact CG1-NH2 3.33Å; L233-R235 PolarHBondContact O-N 2.61Å; R235-S237 PolarHBondContact O-N 3.44Å; R235-A238 PolarHBondContact O-N 2.84Å; R235-D258 IonicContact CZ-OD1 3.83Å; R235-D258 VanDerWaalsContact CZ-OD1 3.27Å; R235-D258 IonicContact NH1-OD1 3.61Å; R235-D258 PolarHBondContact NH1-OD1 2.79Å; R235-D258 IonicContact NH2-OD1 3.61Å; R235-D258 PolarHBondContact NH2-OD1 2.97Å
236E98.3Very high98.6Very high165 Ų16533.4 Ų33.477%0.77117%0.166SC*.Hα-helixtrans-65.8-23.3179.964-86.8-160.900113.8P234P234-E236 HydrophobicContact CB-CG 4.45Å; P234-E236 PolarHBondContact O-N 3.45Å
237S98.3Very high98.6Very high15 Ų1537.3 Ų37.311%0.10520%0.198CC..Hα-helixtrans-95.4-26.4-178.573.50000112.9H162 P234 R235 Q239 S240 F241H162-S237 PolarHBondContact O-OG 3.42Å; P234-S237 PolarHBondContact O-N 3.32Å; P234-S237 PolarHBondContact O-OG 3.24Å; R235-S237 PolarHBondContact O-N 3.44Å; S237-Q239 PolarHBondContact O-N 2.95Å; S237-S240 WeakPolarHBondContact O-CB 3.3Å; S237-S240 PolarHBondContact O-N 2.9Å; S237-S240 VanDerWaalsContact O-N 3.11Å; S237-F241 PolarHBondContact O-N 3.06Å
238A98.7Very high98.6Very high0 Ų040.3 Ų40.30%021%0.211CC..Hα-helixtrans-62.2-37.8-168.200000114.3V98 V100 L233 P234 R235 F241 C242 I255V98-A238 HydrophobicContact CG2-CB 3.24Å; V100-A238 HydrophobicContact CG2-CB 4.03Å; L233-A238 HydrophobicContact CB-CB 4.19Å; P234-A238 PolarHBondContact O-N 3.41Å; R235-A238 PolarHBondContact O-N 2.84Å; A238-F241 WeakPolarHBondContact O-CB 3.3Å; A238-F241 PolarHBondContact O-N 2.95Å; A238-C242 PolarHBondContact O-N 3.32Å; A238-C242 PolarHBondContact O-SG 3.3Å; A238-C242 VanDerWaalsContact O-SG 3.37Å; A238-I255 HydrophobicContact CB-CD1 3.86Å; A238-I255 HydrophobicContact CB-CG1 4.09Å
239Q98.6Very high98.4Very high106 Ų10641.3 Ų41.350%0.49522%0.216SC..Hα-helixtrans-64.8-45.4176.4-177.261.726.900111.3S237 F241 C242 E243S237-Q239 PolarHBondContact O-N 2.95Å; Q239-F241 VanDerWaalsContact C-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.23Å; Q239-C242 PolarHBondContact O-N 3.44Å; Q239-E243 WeakPolarHBondContact CG-OE1 3.38Å; Q239-E243 PolarHBondContact NE2-OE1 3.15Å; Q239-E243 WeakPolarHBondContact O-CG 3.44Å; Q239-E243 PolarHBondContact O-N 3.07Å
240S98.7Very high98.3Very high56 Ų5643.1 Ų43.139%0.39223%0.234SC..Hα-helixtrans-63.6-40.5178-169.50000111.4H162 S237 C242 E243 E244H162-S240 PolarHBondContact CE1-OG 2.88Å; S237-S240 WeakPolarHBondContact O-CB 3.3Å; S237-S240 PolarHBondContact O-N 2.9Å; S237-S240 VanDerWaalsContact O-N 3.11Å; S240-C242 PolarHBondContact O-N 2.92Å; S240-E243 PolarHBondContact O-N 3.37Å; S240-E244 WeakPolarHBondContact O-CB 3.4Å; S240-E244 PolarHBondContact O-N 3.44Å
241F98.8Very high98.3Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-55.8-50.6171.7174.3-84.2000111.6V100 T102 A155 L158 M159 H162 I231 L233 S237 A238 Q239 E243 E244 L245V100-F241 HydrophobicContact CG1-CD1 3.94Å; V100-F241 HydrophobicContact CG1-CE1 3.8Å; T102-F241 HydrophobicContact CG2-CE1 4.1Å; T102-F241 HydrophobicContact CG2-CZ 4.21Å; A155-F241 HydrophobicContact CB-CZ 4.15Å; L158-F241 HydrophobicContact CB-CD2 3.71Å; L158-F241 HydrophobicContact CB-CE2 3.45Å; L158-F241 VanDerWaalsContact CB-CE2 3.45Å; L158-F241 HydrophobicContact CB-CZ 4.42Å; M159-F241 HydrophobicContact CG-CE2 4.43Å; H162-F241 HydrophobicContact CB-CB 4.17Å; H162-F241 HydrophobicContact CB-CD2 4.17Å; H162-F241 AromaticContact CD2-CD2 3.75Å; H162-F241 PolarHBondContact CE1-N 3.15Å; I231-F241 HydrophobicContact CD1-CE1 3.9Å; I231-F241 HydrophobicContact CD1-CE2 4Å; I231-F241 HydrophobicContact CD1-CZ 3.32Å; L233-F241 HydrophobicContact CD1-CB 3.99Å; L233-F241 HydrophobicContact CD1-CD1 3.89Å; L233-F241 HydrophobicContact CD1-CD2 4Å; L233-F241 HydrophobicContact CD1-CE1 4.43Å; L233-F241 HydrophobicContact CD1-CG 3.68Å; S237-F241 PolarHBondContact O-N 3.06Å; A238-F241 WeakPolarHBondContact O-CB 3.3Å; A238-F241 PolarHBondContact O-N 2.95Å; Q239-F241 VanDerWaalsContact C-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.23Å; F241-E243 PolarHBondContact O-N 3.44Å; F241-E244 PolarHBondContact O-N 2.9Å; F241-L245 HydrophobicContact CE1-CD2 3.86Å; F241-L245 HydrophobicContact CZ-CD2 4.09Å; F241-L245 VanDerWaalsContact O-CB 3.31Å; F241-L245 WeakPolarHBondContact O-CB 3.16Å; F241-L245 PolarHBondContact O-N 3.31Å
242C98.8Very high98.2Very high9 Ų944.4 Ų44.46%0.06124%0.243CC..Hα-helixtrans-63.7-41.9-178.1-730000112.6A238 Q239 S240 T246 S253A238-C242 PolarHBondContact O-N 3.32Å; A238-C242 PolarHBondContact O-SG 3.3Å; A238-C242 VanDerWaalsContact O-SG 3.37Å; Q239-C242 PolarHBondContact O-N 3.44Å; S240-C242 PolarHBondContact O-N 2.92Å; C242-T246 VanDerWaalsContact O-CB 3.31Å; C242-T246 WeakPolarHBondContact O-CB 3.27Å; C242-T246 PolarHBondContact O-N 3.4Å; C242-T246 PolarHBondContact O-OG1 2.94Å; C242-S253 VanDerWaalsContact CA-OG 3.28Å; C242-S253 WeakPolarHBondContact CA-OG 3.18Å; C242-S253 WeakPolarHBondContact CB-OG 3.48Å; C242-S253 PolarHBondContact SG-OG 3.06Å
243E98.7Very high98.2Very high115 Ų11544.9 Ų44.954%0.53725%0.246SC..Hα-helixtrans-64.6-46.3177.8-72.6172.2-172.100111.8Q239 S240 F241 T246 A247Q239-E243 WeakPolarHBondContact CG-OE1 3.38Å; Q239-E243 PolarHBondContact NE2-OE1 3.15Å; Q239-E243 WeakPolarHBondContact O-CG 3.44Å; Q239-E243 PolarHBondContact O-N 3.07Å; S240-E243 PolarHBondContact O-N 3.37Å; F241-E243 PolarHBondContact O-N 3.44Å; E243-T246 PolarHBondContact O-N 2.56Å; E243-A247 WeakPolarHBondContact O-CB 3.1Å; E243-A247 PolarHBondContact O-N 3.15Å
244E98.6Very high98.2Very high43 Ų4346.4 Ų46.420%0.20125%0.252CS..Hα-helixtrans-66.5-44.1179.5-174.1171.6-174.700111.8L158 K161 H162 S240 F241 T246 A247 E248L158-E244 HydrophobicContact CD1-CB 4.3Å; L158-E244 HydrophobicContact CD1-CG 4.06Å; L158-E244 HydrophobicContact CD2-CG 3.78Å; L158-E244 WeakPolarHBondContact CD2-OE1 3.39Å; K161-E244 WeakPolarHBondContact CD-OE2 3.31Å; K161-E244 WeakPolarHBondContact CE-OE2 3.39Å; K161-E244 IonicContact NZ-OE1 2.66Å; K161-E244 PolarHBondContact NZ-OE1 3.37Å; K161-E244 IonicContact NZ-OE2 3.27Å; K161-E244 PolarHBondContact NZ-OE2 2.88Å; H162-E244 IonicContact CE1-OE2 3.94Å; H162-E244 IonicContact NE2-OE2 2.68Å; H162-E244 PolarHBondContact NE2-OE2 3.43Å; S240-E244 WeakPolarHBondContact O-CB 3.4Å; S240-E244 PolarHBondContact O-N 3.44Å; F241-E244 PolarHBondContact O-N 2.9Å; E244-T246 PolarHBondContact O-N 2.97Å; E244-A247 PolarHBondContact O-N 3.16Å; E244-E248 WeakPolarHBondContact O-CG 3.45Å; E244-E248 PolarHBondContact O-N 2.79Å
245L98.5Very high98.2Very high3 Ų348.3 Ų48.32%0.01626%0.261CS..Hα-helixtrans-58.9-49.5175.5-178.660000110.3T102 T154 A155 L158 F241 A247 E248 I249T102-L245 HydrophobicContact CG2-CD2 3.86Å; T154-L245 HydrophobicContact CG2-CD1 3.73Å; A155-L245 HydrophobicContact CB-CD1 4.24Å; A155-L245 HydrophobicContact CB-CD2 4.17Å; L158-L245 HydrophobicContact CD1-CB 3.78Å; L158-L245 HydrophobicContact CD1-CD1 4.14Å; F241-L245 HydrophobicContact CE1-CD2 3.86Å; F241-L245 HydrophobicContact CZ-CD2 4.09Å; F241-L245 VanDerWaalsContact O-CB 3.31Å; F241-L245 WeakPolarHBondContact O-CB 3.16Å; F241-L245 PolarHBondContact O-N 3.31Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-A247 PolarHBondContact O-N 3.18Å; L245-E248 PolarHBondContact O-N 3.3Å; L245-E248 VanDerWaalsContact O-N 3.1Å; L245-I249 HydrophobicContact CD1-CD1 3.85Å; L245-I249 HydrophobicContact CD1-CG1 3.97Å; L245-I249 HydrophobicContact CD1-CG2 4.09Å; L245-I249 HydrophobicContact CG-CD1 4.05Å; L245-I249 HydrophobicContact CG-CG1 4.16Å; L245-I249 VanDerWaalsContact O-CG1 3.29Å; L245-I249 WeakPolarHBondContact O-CG1 3.43Å; L245-I249 PolarHBondContact O-N 3.39Å
246T98.1Very high98.2Very high52 Ų5242.6 Ų42.632%0.31924%0.24SC..Hα-helixtrans-59.6-41.5179.1-560000111.7C242 E243 E244 E248 G250 C251C242-T246 VanDerWaalsContact O-CB 3.31Å; C242-T246 WeakPolarHBondContact O-CB 3.27Å; C242-T246 PolarHBondContact O-N 3.4Å; C242-T246 PolarHBondContact O-OG1 2.94Å; E243-T246 PolarHBondContact O-N 2.56Å; E244-T246 PolarHBondContact O-N 2.97Å; T246-E248 VanDerWaalsContact C-N 3.32Å; T246-E248 PolarHBondContact O-N 2.76Å; T246-G250 WeakPolarHBondContact O-CA 3.44Å; T246-G250 PolarHBondContact O-N 3.25Å; T246-C251 WeakPolarHBondContact CA-O 3.35Å
247A97.9Very high98.2Very high82 Ų8234.8 Ų34.868%0.67820%0.203SC*.Hα-helixtrans-63.9-36.1176.900000112.6E243 E244 L245E243-A247 WeakPolarHBondContact O-CB 3.1Å; E243-A247 PolarHBondContact O-N 3.15Å; E244-A247 PolarHBondContact O-N 3.16Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-A247 PolarHBondContact O-N 3.18Å
248E97.2Very high98.3Very high66 Ų6635.8 Ų35.831%0.30821%0.207SC..Hα-helixtrans-81-43.4-178.1-76.3-158.7-129.800114.1T154 R157 E244 L245 T246 K287T154-E248 HydrophobicContact CG2-CB 3.95Å; R157-E248 IonicContact CZ-OE1 3.18Å; R157-E248 IonicContact CZ-OE2 2.88Å; R157-E248 IonicContact NH1-OE1 3.12Å; R157-E248 IonicContact NH2-OE1 2.69Å; R157-E248 PolarHBondContact NH2-OE1 3.27Å; R157-E248 IonicContact NH2-OE2 2.67Å; R157-E248 PolarHBondContact NH2-OE2 3.12Å; E244-E248 WeakPolarHBondContact O-CG 3.45Å; E244-E248 PolarHBondContact O-N 2.79Å; L245-E248 PolarHBondContact O-N 3.3Å; L245-E248 VanDerWaalsContact O-N 3.1Å; T246-E248 VanDerWaalsContact C-N 3.32Å; T246-E248 PolarHBondContact O-N 2.76Å; E248-K287 WeakPolarHBondContact O-CE 3.44Å; E248-K287 PolarHBondContact O-NZ 2.98Å
249I96.1Very high98.3Very high25 Ų2535.9 Ų35.913%0.12821%0.208CC..Hα-helixtrans-102.5-15.4-175.168.9163.9000113.9T154 L245 C251 V284T154-I249 HydrophobicContact CG2-CG2 3.83Å; L245-I249 HydrophobicContact CD1-CD1 3.85Å; L245-I249 HydrophobicContact CD1-CG1 3.97Å; L245-I249 HydrophobicContact CD1-CG2 4.09Å; L245-I249 HydrophobicContact CG-CD1 4.05Å; L245-I249 HydrophobicContact CG-CG1 4.16Å; L245-I249 VanDerWaalsContact O-CG1 3.29Å; L245-I249 WeakPolarHBondContact O-CG1 3.43Å; L245-I249 PolarHBondContact O-N 3.39Å; I249-C251 HydrophobicContact CD1-CB 3.9Å; I249-C251 HydrophobicContact CG1-CB 4.13Å; I249-C251 PolarHBondContact O-N 3Å; I249-V284 WeakPolarHBondContact O-CG2 3.41Å
250G96.6Very high98.3Very high37 Ų3733.8 Ų33.838%0.38120%0.199SC..SBendtrans77.82.9-179.300000114.9T246T246-G250 WeakPolarHBondContact O-CA 3.44Å; T246-G250 PolarHBondContact O-N 3.25Å
251C97.5Very high98.3Very high8 Ų838.5 Ų38.55%0.05422%0.215CC..SBendtrans-111.9139.5176.1-66.60000110H150 T246 I249H150-C251 PolarHBondContact NE2-SG 3.37Å; T246-C251 WeakPolarHBondContact CA-O 3.35Å; I249-C251 HydrophobicContact CD1-CB 3.9Å; I249-C251 HydrophobicContact CG1-CB 4.13Å; I249-C251 PolarHBondContact O-N 3Å
252P98.2Very high98.2Very high19 Ų1939.7 Ų39.712%0.12323%0.225CC..  trans-71.3156.6178.829-35000113.1W254 V278 Q282P252-W254 HydrophobicContact CB-CH2 4.24Å; P252-W254 HydrophobicContact CB-CZ2 3.75Å; P252-W254 HydrophobicContact CG-CH2 3.76Å; P252-W254 HydrophobicContact CG-CZ2 3.4Å; P252-W254 VanDerWaalsContact O-CH2 3.31Å; P252-W254 WeakPolarHBondContact O-CH2 3.39Å; P252-W254 VanDerWaalsContact O-CZ3 3.32Å; P252-W254 WeakPolarHBondContact O-CZ3 3.46Å; P252-V278 HydrophobicContact CG-CG1 4.39Å; P252-Q282 WeakPolarHBondContact CD-O 3.38Å; P252-Q282 HydrophobicContact CG-CB 4.17Å
253S98.7Very high98.1Very high11 Ų1147 Ų478%0.07726%0.263CS..  trans-128164.4163.758.60000109.9L101 C242L101-S253 WeakPolarHBondContact O-CA 3.21Å; L101-S253 WeakPolarHBondContact O-CB 3.29Å; C242-S253 VanDerWaalsContact CA-OG 3.28Å; C242-S253 WeakPolarHBondContact CA-OG 3.18Å; C242-S253 WeakPolarHBondContact CB-OG 3.48Å; C242-S253 PolarHBondContact SG-OG 3.06Å
254W98.8Very high98Very high31 Ų3144.9 Ų44.912%0.11726%0.262CS..EExtended strand (participates in β ladder)trans-136.2139-170.9-53.9-92.8000111.7V100 L101 P104 P199 P252 I256 V278V100-W254 CarbonylContact C-O 3.56Å; V100-W254 VanDerWaalsContact CA-O 3.25Å; V100-W254 WeakPolarHBondContact CA-O 3.44Å; L101-W254 PolarHBondContact N-O 3.36Å; L101-W254 PolarHBondContact O-N 3.17Å; P104-W254 HydrophobicContact CB-CH2 4.06Å; P104-W254 HydrophobicContact CB-CZ3 4.39Å; P104-W254 HydrophobicContact CG-CH2 4.44Å; P199-W254 HydrophobicContact CB-CB 4.48Å; P199-W254 HydrophobicContact CB-CD2 3.34Å; P199-W254 HydrophobicContact CB-CE3 3.58Å; P199-W254 HydrophobicContact CB-CG 3.76Å; P199-W254 HydrophobicContact CB-CH2 4.25Å; P199-W254 HydrophobicContact CB-CZ2 4.03Å; P199-W254 HydrophobicContact CB-CZ3 4.05Å; P199-W254 HydrophobicContact CG-CB 4.14Å; P199-W254 HydrophobicContact CG-CD2 3.6Å; P199-W254 HydrophobicContact CG-CE3 3.47Å; P199-W254 VanDerWaalsContact CG-CE3 3.47Å; P199-W254 HydrophobicContact CG-CG 3.9Å; P199-W254 HydrophobicContact CG-CZ3 4.15Å; P252-W254 HydrophobicContact CB-CH2 4.24Å; P252-W254 HydrophobicContact CB-CZ2 3.75Å; P252-W254 HydrophobicContact CG-CH2 3.76Å; P252-W254 HydrophobicContact CG-CZ2 3.4Å; P252-W254 VanDerWaalsContact O-CH2 3.31Å; P252-W254 WeakPolarHBondContact O-CH2 3.39Å; P252-W254 VanDerWaalsContact O-CZ3 3.32Å; P252-W254 WeakPolarHBondContact O-CZ3 3.46Å; W254-I256 HydrophobicContact CB-CG2 3.72Å; W254-I256 PolarHBondContact O-N 3.32Å; W254-V278 HydrophobicContact CH2-CG1 3.99Å; W254-V278 HydrophobicContact CH2-CG2 3.82Å; W254-V278 HydrophobicContact CZ2-CB 4.15Å; W254-V278 HydrophobicContact CZ2-CG1 3.72Å; W254-V278 HydrophobicContact CZ2-CG2 3.29Å
255I98.9Very high98Very high52 Ų5245 Ų4527%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-73.8116.5159-60.5169.6000106.7V98 L99 V100 A238V98-I255 HydrophobicContact CB-CG2 3.85Å; V98-I255 HydrophobicContact CG1-CG2 4.16Å; V98-I255 HydrophobicContact CG2-CG2 4.19Å; L99-I255 CarbonylContact O-C 3.32Å; L99-I255 WeakPolarHBondContact O-CA 3.46Å; V100-I255 HydrophobicContact CG2-CG1 3.97Å; A238-I255 HydrophobicContact CB-CD1 3.86Å; A238-I255 HydrophobicContact CB-CG1 4.09Å
256I98.8Very high97.9Very high0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-115.5-10.3-171.163.3152000114.7L99 L101 L175 I195 H196 T197 P199 L230 W254L99-I256 HydrophobicContact CB-CG1 4.1Å; L99-I256 WeakPolarHBondContact O-CG1 3.22Å; L99-I256 PolarHBondContact O-N 3.08Å; L101-I256 HydrophobicContact CB-CD1 3.81Å; L101-I256 HydrophobicContact CB-CG1 4.04Å; L101-I256 HydrophobicContact CB-CG2 3.85Å; L101-I256 HydrophobicContact CD2-CD1 4.27Å; L175-I256 HydrophobicContact CD1-CD1 3.85Å; L175-I256 HydrophobicContact CD2-CD1 3.82Å; L175-I256 HydrophobicContact CG-CD1 4.44Å; I195-I256 CarbonylContact C-O 3.39Å; I195-I256 HydrophobicContact CG2-CD1 4.17Å; H196-I256 PolarHBondContact N-O 2.92Å; H196-I256 PolarHBondContact ND1-O 3.23Å; T197-I256 PolarHBondContact N-O 3.32Å; T197-I256 WeakPolarHBondContact O-CB 3.28Å; P199-I256 HydrophobicContact CG-CG2 3.97Å; L230-I256 HydrophobicContact CD1-CD1 3.81Å; L230-I256 HydrophobicContact CD1-CG1 4.36Å; W254-I256 HydrophobicContact CB-CG2 3.72Å; W254-I256 PolarHBondContact O-N 3.32Å
257G98.8Very high98Very high0 Ų044.7 Ų44.70%026%0.262CS..EExtended strand (participates in β ladder)trans-168.2174.5-175.400000113.1V98 L99 S194 H196V98-G257 CarbonylContact C-O 3.56Å; V98-G257 WeakPolarHBondContact CA-O 3.29Å; V98-G257 WeakPolarHBondContact CB-O 3.45Å; L99-G257 PolarHBondContact N-O 3.44Å; L99-G257 PolarHBondContact O-N 3.1Å; S194-G257 CarbonylContact O-C 3.6Å; S194-G257 WeakPolarHBondContact O-CA 3.48Å; H196-G257 VanDerWaalsContact CD2-CA 3.48Å; H196-G257 WeakPolarHBondContact CD2-CA 3.26Å; H196-G257 VanDerWaalsContact NE2-CA 3.33Å; H196-G257 WeakPolarHBondContact NE2-CA 3.46Å; H196-G257 PolarHBondContact NE2-N 2.88Å
258D98.8Very high98Very high37 Ų3744.5 Ų44.520%0.19825%0.246CC..EExtended strand (participates in β ladder)trans-123.4147179.6-58-73.4000110.4S194 H196 R235 I260S194-D258 PolarHBondContact N-O 3.1Å; S194-D258 PolarHBondContact O-N 3.39Å; H196-D258 IonicContact CD2-OD2 3.61Å; H196-D258 PolarHBondContact CD2-OD2 3.39Å; H196-D258 VanDerWaalsContact CD2-OD2 3.26Å; H196-D258 IonicContact NE2-OD2 2.7Å; R235-D258 IonicContact CZ-OD1 3.83Å; R235-D258 VanDerWaalsContact CZ-OD1 3.27Å; R235-D258 IonicContact NH1-OD1 3.61Å; R235-D258 PolarHBondContact NH1-OD1 2.79Å; R235-D258 IonicContact NH2-OD1 3.61Å; R235-D258 PolarHBondContact NH2-OD1 2.97Å; D258-I260 HydrophobicContact CB-CG2 3.99Å
259V98.8Very high98.1Very high2 Ų243 Ų431%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-89.3111164-174.50000107.8A94 G96 D97 L99 L191 A192 F193 V232A94-V259 WeakPolarHBondContact O-CB 3.36Å; A94-V259 VanDerWaalsContact O-CG1 3.26Å; A94-V259 WeakPolarHBondContact O-CG1 3.4Å; G96-V259 PolarHBondContact N-O 2.82Å; D97-V259 HydrophobicContact CB-CB 3.94Å; D97-V259 HydrophobicContact CB-CG2 3.68Å; D97-V259 PolarHBondContact O-N 3.26Å; L99-V259 HydrophobicContact CD2-CG2 4.13Å; L191-V259 HydrophobicContact CB-CG1 4.04Å; L191-V259 HydrophobicContact CD2-CG1 4.02Å; L191-V259 HydrophobicContact CG-CG1 4.44Å; A192-V259 WeakPolarHBondContact O-CA 3.36Å; F193-V259 HydrophobicContact CD1-CB 4.4Å; F193-V259 HydrophobicContact CD1-CG1 4.18Å; F193-V259 HydrophobicContact CD1-CG2 3.82Å; F193-V259 HydrophobicContact CE1-CB 4.41Å; F193-V259 HydrophobicContact CE1-CG1 4Å; F193-V259 HydrophobicContact CE1-CG2 3.66Å; V232-V259 HydrophobicContact CG1-CG2 3.93Å
260I98.7Very high98.2Very high61 Ų6143.4 Ų43.431%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-109.5157.3-175.562.2167.9000110.9L191 A192 D258 F268L191-I260 CarbonylContact C-O 3.6Å; L191-I260 WeakPolarHBondContact CA-O 3.24Å; L191-I260 WeakPolarHBondContact CB-O 3.44Å; A192-I260 HydrophobicContact CB-CD1 4.46Å; A192-I260 HydrophobicContact CB-CG1 4.04Å; A192-I260 PolarHBondContact N-O 3Å; A192-I260 WeakPolarHBondContact O-CG1 3.33Å; A192-I260 PolarHBondContact O-N 3.44Å; D258-I260 HydrophobicContact CB-CG2 3.99Å; I260-F268 HydrophobicContact CD1-CE1 4.26Å; I260-F268 HydrophobicContact CD1-CZ 3.9Å
261E98.5Very high98.1Very high156 Ų15648.1 Ų48.173%0.72927%0.267SS*.EExtended strand (participates in β ladder)trans-67.2135.9168-171.9171.4-163.200110V95V95-E261 HydrophobicContact CG1-CB 4.11Å; V95-E261 HydrophobicContact CG2-CB 4.15Å
262A97.9Very high98Very high25 Ų2556.2 Ų56.221%0.20730%0.304CS..  trans-154.1159.3178.500000111.1H190 A192 S264H190-A262 CarbonylContact C-O 3.48Å; H190-A262 WeakPolarHBondContact CA-O 3.42Å; H190-A262 WeakPolarHBondContact CB-O 3.34Å; H190-A262 PolarHBondContact O-N 2.83Å; H190-A262 VanDerWaalsContact O-N 3.13Å; A192-A262 HydrophobicContact CB-CB 3.56Å; A262-S264 PolarHBondContact O-N 3.44Å
263D96.3Very high98Very high161 Ų16156.9 Ų56.986%0.86131%0.308SS*.SBendtrans-69-18.9178.2-66.2-36.3000113.3
264S96.4Very high98Very high72 Ų7262.1 Ų62.150%0.50333%0.332SS..SBendtrans-153.9150.6-177.164.40000113.2L191 A262 S266L191-S264 CarbonylContact O-C 3.48Å; L191-S264 VanDerWaalsContact O-O 3.13Å; A262-S264 PolarHBondContact O-N 3.44Å; S264-S266 PolarHBondContact O-N 3.32Å; S264-S266 PolarHBondContact O-OG 3.02Å
265K98.1Very high98Very high46 Ų4662.4 Ų62.420%0.234%0.337CS..  trans-61.1112174.8-62.6-171.3-70.5-1770111V183 Q184 Q186 N189 L191V183-K265 HydrophobicContact CG2-CB 4.34Å; V183-K265 WeakPolarHBondContact O-CD 3.33Å; Q184-K265 PolarHBondContact NE2-O 3.17Å; Q184-K265 WeakPolarHBondContact O-CE 3.36Å; Q184-K265 PolarHBondContact O-NZ 2.92Å; Q186-K265 HydrophobicContact CB-CD 4.36Å; Q186-K265 PolarHBondContact O-NZ 3.4Å; N189-K265 WeakPolarHBondContact OD1-CE 3.43Å; N189-K265 PolarHBondContact OD1-NZ 3Å; L191-K265 VanDerWaalsContact O-CA 3.29Å; L191-K265 WeakPolarHBondContact O-CA 3.46Å
266S97.9Very high98Very high38 Ų3862.4 Ų62.427%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-154.4153.917858.50000111.6A192 F193 S264A192-S266 CarbonylContact C-O 3.56Å; A192-S266 WeakPolarHBondContact CA-O 3.47Å; A192-S266 VanDerWaalsContact CB-O 3.31Å; A192-S266 WeakPolarHBondContact CB-O 3.36Å; F193-S266 PolarHBondContact N-O 2.83Å; S264-S266 PolarHBondContact O-N 3.32Å; S264-S266 PolarHBondContact O-OG 3.02Å
267A98.7Very high97.9Very high9 Ų966 Ų667%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-122.4135169.600000109.1L176 A179 N180 V183 F193L176-A267 HydrophobicContact CD1-CB 4.06Å; L176-A267 WeakPolarHBondContact CD1-O 3.37Å; A179-A267 HydrophobicContact CB-CB 3.74Å; N180-A267 HydrophobicContact CB-CB 4.49Å; N180-A267 WeakPolarHBondContact OD1-CB 3.09Å; N180-A267 PolarHBondContact OD1-N 2.68Å; N180-A267 PolarHBondContact OD1-O 2.94Å; V183-A267 HydrophobicContact CG1-CB 4.24Å; F193-A267 HydrophobicContact CB-CB 3.82Å; F193-A267 WeakPolarHBondContact O-CA 3.22Å
268F98.6Very high97.9Very high79 Ų7966.1 Ų66.135%0.34636%0.357SS..EExtended strand (participates in β ladder)trans-145.6156-17961.8-89.8000111.5A192 F193 I195 I260A192-F268 HydrophobicContact CB-CE1 4.03Å; F193-F268 PolarHBondContact O-N 3.04Å; I195-F268 PolarHBondContact N-O 3.48Å; I260-F268 HydrophobicContact CD1-CE1 4.26Å; I260-F268 HydrophobicContact CD1-CZ 3.9Å
269L98.6Very high97.9Very high35 Ų3568 Ų6818%0.18336%0.364CS..EExtended strand (participates in β ladder)trans-85.3137165.8-67168.2000108.9L176 I195 L198 L218 Q219L176-L269 HydrophobicContact CD2-CD1 4.34Å; L176-L269 HydrophobicContact CD2-CG 4.25Å; I195-L269 HydrophobicContact CB-CD2 3.81Å; I195-L269 HydrophobicContact CG2-CD2 3.54Å; I195-L269 WeakPolarHBondContact O-CA 3.41Å; L198-L269 HydrophobicContact CD1-CD2 4.39Å; L198-L269 HydrophobicContact CD2-CD2 3.83Å; L198-L269 HydrophobicContact CG-CD2 4.34Å; L218-L269 WeakPolarHBondContact O-CD1 3.33Å; Q219-L269 VanDerWaalsContact C-CD1 3.46Å; Q219-L269 WeakPolarHBondContact O-CD1 3.43Å
270V98.3Very high97.9Very high33 Ų3368.7 Ų68.720%0.237%0.367CS..EExtended strand (participates in β ladder)trans-59156.3167.9-560000109.8S194 I195 H196 Q272 P273S194-V270 WeakPolarHBondContact OG-CG1 3.39Å; I195-V270 PolarHBondContact O-N 3.12Å; H196-V270 HydrophobicContact CB-CG1 4.07Å; H196-V270 HydrophobicContact CB-CG2 4.11Å; V270-Q272 PolarHBondContact O-N 3.48Å; V270-P273 HydrophobicContact CG2-CB 4.16Å; V270-P273 VanDerWaalsContact O-CD 3.3Å; V270-P273 WeakPolarHBondContact O-CD 3.21Å
271P96.1Very high97.8Very high136 Ų13670.7 Ų70.788%0.88339%0.387SS*.EExtended strand (participates in β ladder)trans-56.8-28.9-172.6-29.336.2000115.9
272Q94.5Very high97.8Very high178 Ų17867 Ų6783%0.83237%0.369SS*.EExtended strand (participates in β ladder)trans-135.780.1176.2-68.6-175.8-25.900108.7V270V270-Q272 PolarHBondContact O-N 3.48Å
273P97.8Very high97.8Very high32 Ų3266 Ų6621%0.20836%0.361CS..EExtended strand (participates in β ladder)trans-66.9139.4178.729.7-30.9000109.2H196 L198 V270 V275H196-P273 CarbonylContact O-C 2.99Å; H196-P273 VanDerWaalsContact O-CA 3.23Å; H196-P273 WeakPolarHBondContact O-CA 3.14Å; L198-P273 HydrophobicContact CD1-CB 4.18Å; L198-P273 HydrophobicContact CD1-CG 3.85Å; L198-P273 HydrophobicContact CG-CB 4.16Å; L198-P273 HydrophobicContact CG-CG 4.38Å; V270-P273 HydrophobicContact CG2-CB 4.16Å; V270-P273 VanDerWaalsContact O-CD 3.3Å; V270-P273 WeakPolarHBondContact O-CD 3.21Å; P273-V275 PolarHBondContact O-N 3.22Å
274E98.5Very high97.7Very high122 Ų12260.7 Ų60.757%0.5733%0.334SS*.EExtended strand (participates in β ladder)trans-64.4130172-178.3-177.7-170.100109H196 T197 L198 I276H196-E274 PolarHBondContact O-N 3.48Å; T197-E274 CarbonylContact C-O 3.48Å; T197-E274 VanDerWaalsContact CA-O 3.3Å; T197-E274 WeakPolarHBondContact CA-O 3.48Å; T197-E274 HydrophobicContact CG2-CB 4.39Å; L198-E274 PolarHBondContact N-O 3.3Å; E274-I276 HydrophobicContact CG-CG1 4.44Å
275V98.6Very high97.6Very high37 Ų3761.2 Ų61.222%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-105118.1174.9178.40000108.5L198 C200 A205 L218 P273L198-V275 HydrophobicContact CB-CG2 4.44Å; L198-V275 WeakPolarHBondContact O-CA 3.48Å; C200-V275 HydrophobicContact CB-CG1 4.27Å; A205-V275 HydrophobicContact CB-CG1 3.65Å; L218-V275 HydrophobicContact CD2-CG2 4.03Å; P273-V275 PolarHBondContact O-N 3.22Å
276I98.6Very high97.1Very high52 Ų5260 Ų6027%0.26733%0.332SS..EExtended strand (participates in β ladder)trans-95.3121175-60.6174.6000108T197 L198 C200 E274 V278T197-I276 HydrophobicContact CG2-CD1 3.45Å; T197-I276 VanDerWaalsContact CG2-CD1 3.45Å; T197-I276 HydrophobicContact CG2-CG1 3.81Å; L198-I276 PolarHBondContact O-N 3.48Å; C200-I276 PolarHBondContact N-O 3.49Å; C200-I276 VanDerWaalsContact O-O 3.1Å; E274-I276 HydrophobicContact CG-CG1 4.44Å; I276-V278 HydrophobicContact CG2-CG2 4.34Å; I276-V278 PolarHBondContact O-N 3.35Å
277D98.2Very high96.2Very high76 Ų7665 Ų6541%0.40635%0.349SS..EExtended strand (participates in β ladder)trans-78.799.3169.9-84.4-42000109.9E202 Q279E202-D277 HydrophobicContact CB-CB 4.43Å; E202-D277 HydrophobicContact CG-CB 4.28Å; D277-Q279 PolarHBondContact O-N 3.09Å; D277-Q279 PolarHBondContact O-NE2 2.93Å
278V98.6Very high94.3Very high1 Ų168.5 Ų68.51%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-74.7111.1177.3-175.80000108.9P104 P199 C200 E202 P252 W254 I276 Q282 I283P104-V278 HydrophobicContact CB-CB 4.15Å; P104-V278 HydrophobicContact CB-CG1 4.32Å; P104-V278 HydrophobicContact CB-CG2 4.01Å; P199-V278 HydrophobicContact CB-CG2 3.85Å; C200-V278 WeakPolarHBondContact O-CB 3.49Å; C200-V278 PolarHBondContact O-N 2.87Å; E202-V278 WeakPolarHBondContact CB-O 3.31Å; E202-V278 PolarHBondContact N-O 3.29Å; P252-V278 HydrophobicContact CG-CG1 4.39Å; W254-V278 HydrophobicContact CH2-CG1 3.99Å; W254-V278 HydrophobicContact CH2-CG2 3.82Å; W254-V278 HydrophobicContact CZ2-CB 4.15Å; W254-V278 HydrophobicContact CZ2-CG1 3.72Å; W254-V278 HydrophobicContact CZ2-CG2 3.29Å; I276-V278 HydrophobicContact CG2-CG2 4.34Å; I276-V278 PolarHBondContact O-N 3.35Å; V278-Q282 HydrophobicContact CG1-CB 4.38Å; V278-I283 HydrophobicContact CG1-CD1 3.89Å
279Q98.5Very high92Very high77 Ų7767.7 Ų67.736%0.3638%0.376SS..  trans-62.2139.2-174.9-58.2-63-63.400110E202 D277 S281 Q282E202-Q279 PolarHBondContact OE2-OE1 3.01Å; D277-Q279 PolarHBondContact O-N 3.09Å; D277-Q279 PolarHBondContact O-NE2 2.93Å; Q279-S281 PolarHBondContact O-N 2.94Å; Q279-S281 VanDerWaalsContact O-N 3.11Å; Q279-Q282 HydrophobicContact CB-CG 4.07Å; Q279-Q282 WeakPolarHBondContact O-CB 3.37Å; Q279-Q282 PolarHBondContact O-N 3.12Å
280H98.4Very high89Confident17 Ų1772 Ų728%0.07940%0.404CS..G310 helixtrans-55.2-33.5179.2-66.4173.1000113S139 L140 S143 E202 Q282 I283S139-H280 WeakPolarHBondContact CB-ND1 3.19Å; S139-H280 PolarHBondContact OG-ND1 2.93Å; L140-H280 WeakPolarHBondContact CA-CE1 3.22Å; L140-H280 PolarHBondContact N-CE1 2.86Å; S143-H280 WeakPolarHBondContact OG-CA 3.34Å; S143-H280 WeakPolarHBondContact OG-CB 3.45Å; E202-H280 PolarHBondContact O-NE2 3.37Å; E202-H280 IonicContact OE2-CG 3.95Å; H280-Q282 PolarHBondContact O-N 2.88Å; H280-I283 PolarHBondContact O-N 3.05Å
281S97.3Very high86Confident102 Ų10276.9 Ų76.971%0.71343%0.429SS*.G310 helixtrans-68.5-17.7176.553.60000114.5Q279 I283Q279-S281 PolarHBondContact O-N 2.94Å; Q279-S281 VanDerWaalsContact O-N 3.11Å; S281-I283 VanDerWaalsContact C-N 3.31Å
282Q97.7Very high82.8Confident78 Ų7875.9 Ų75.936%0.36443%0.425SS..G310 helixtrans-81.2-13.1175.1-64175.6-78.800112.4P252 V278 Q279 H280 V284P252-Q282 WeakPolarHBondContact CD-O 3.38Å; P252-Q282 HydrophobicContact CG-CB 4.17Å; V278-Q282 HydrophobicContact CG1-CB 4.38Å; Q279-Q282 HydrophobicContact CB-CG 4.07Å; Q279-Q282 WeakPolarHBondContact O-CB 3.37Å; Q279-Q282 PolarHBondContact O-N 3.12Å; H280-Q282 PolarHBondContact O-N 2.88Å; Q282-V284 PolarHBondContact O-N 3.17Å
283I97.9Very high79.7Confident6 Ų679.7 Ų79.73%0.03144%0.443CS..SBendtrans-96.487.3176.1-48.2-55.6000108.2P104 L146 L201 V278 H280 S281P104-I283 HydrophobicContact CG-CD1 3.79Å; L146-I283 HydrophobicContact CB-CG2 3.72Å; L146-I283 VanDerWaalsContact CD1-O 3.24Å; L146-I283 WeakPolarHBondContact CD1-O 3.18Å; L201-I283 HydrophobicContact CD2-CD1 4.41Å; L201-I283 HydrophobicContact CD2-CG1 3.87Å; V278-I283 HydrophobicContact CG1-CD1 3.89Å; H280-I283 PolarHBondContact O-N 3.05Å; S281-I283 VanDerWaalsContact C-N 3.31Å
284V95.6Very high78.8Confident49 Ų4982.1 Ų82.130%0.29746%0.455SS..PPolyproline II helixtrans-77.7156.3-179.9-59.60000110.8H150 I249 Q282H150-V284 PolarHBondContact NE2-O 3.16Å; I249-V284 WeakPolarHBondContact O-CG2 3.41Å; Q282-V284 PolarHBondContact O-N 3.17Å
285P93.9Very high77.8Confident83 Ų8379.9 Ų79.954%0.53945%0.449SS..PPolyproline II helixtrans-61.1149.2171.6-23.534.6000112.3L146L146-P285 HydrophobicContact CD1-CG 4.26Å; L146-P285 HydrophobicContact CD2-CB 4.24Å; L146-P285 HydrophobicContact CD2-CG 4.2Å
286P88Confident76.6Confident19 Ų1982.3 Ų82.312%0.12346%0.461CS..PPolyproline II helixtrans-53.7143.6170.8-22.732000111T149 C288T149-P286 WeakPolarHBondContact O-CG 3.48Å; P286-C288 VanDerWaalsContact C-N 3.26Å; P286-C288 PolarHBondContact O-N 2.82Å
287K78Confident75.4Confident144 Ų14484.1 Ų84.163%0.62647%0.473SS*.  trans-68.489.4171.6-69.9178.6178.8173.10107.7E248 S289E248-K287 WeakPolarHBondContact O-CE 3.44Å; E248-K287 PolarHBondContact O-NZ 2.98Å; K287-S289 PolarHBondContact O-N 3.09Å
288C59.6Low73.9Confident82 Ų8284.6 Ų84.655%0.55448%0.477SS*.  trans-54.7129.1168.2-890000107.8P286 T290P286-C288 VanDerWaalsContact C-N 3.26Å; P286-C288 PolarHBondContact O-N 2.82Å; C288-T290 PolarHBondContact O-N 3.32Å
289S48.7Very low72.3Confident62 Ų6290.2 Ų90.243%0.43451%0.508SS..  trans-56.7101.2155.544.40000106K287 N291K287-S289 PolarHBondContact O-N 3.09Å; S289-N291 VanDerWaalsContact C-N 3.31Å; S289-N291 PolarHBondContact O-N 3.27Å
290T37.1Very low70.4Confident126 Ų12691.1 Ų91.177%0.77352%0.519SS*.  trans-59.5109.6157.243.40000103.6C288 S292C288-T290 PolarHBondContact O-N 3.32Å; T290-S292 VanDerWaalsContact C-N 3.31Å; T290-S292 PolarHBondContact O-N 3.42Å
291N35.5Very low68.3Low135 Ų13596.8 Ų96.872%0.72255%0.553SS**  trans-53.9103.4175.1-82.6-28.1000107S289 Q293S289-N291 VanDerWaalsContact C-N 3.31Å; S289-N291 PolarHBondContact O-N 3.27Å; N291-Q293 PolarHBondContact O-N 3.11Å
292S27.2Very low65.8Low115 Ų11596.4 Ų96.480%0.80454%0.539SS*.  trans-85.466.2162.641.10000106.7T290T290-S292 VanDerWaalsContact C-N 3.31Å; T290-S292 PolarHBondContact O-N 3.42Å
293Q30.9Very low62.9Low258 Ų25898.1 Ų98.1100%1.20656%0.555SS**  trans-148.10160.4-68.9-1637.100109.1N291N291-Q293 PolarHBondContact O-N 3.11Å

Retrieved 293 of 293 residues in 234.8 ms (Link to these results)

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