A0A077ZDX3_TRITR Loading...

CTP synthase

Catalyzes the ATP-dependent amination of UTP to CTP with either L-glutamine or ammonia as the source of nitrogen. Constitutes the rate-limiting enzyme in the synthesis of cytosine nucleotides.

AlphaFold DB , UniProt , Accession A0A077ZDX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 600 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
1M95.7Very high95.2Very high65 Ų6521.5 Ų21.532%0.3211%0.113SC..  0126.30-169.255.660.800108.7Y3 A129 K130 P140 C143M1-Y3 HydrophobicContact CB-CE2 4.18Å; M1-Y3 HydrophobicContact CG-CD1 4.39Å; M1-Y3 HydrophobicContact CG-CE1 3.72Å; M1-Y3 HydrophobicContact CG-CE2 3.84Å; M1-Y3 WeakPolarHBondContact CG-OH 3.47Å; M1-A129 HydrophobicContact CE-CB 4.37Å; M1-A129 WeakPolarHBondContact CE-O 3.4Å; M1-A129 HydrophobicContact CG-CB 4.09Å; M1-A129 HydrophobicContact SD-CB 4.17Å; M1-K130 HydrophobicContact CE-CG 4.45Å; M1-P140 HydrophobicContact CE-CB 4.2Å; M1-P140 WeakPolarHBondContact CE-O 3.41Å; M1-C143 HydrophobicContact SD-CB 4.09Å
2K98Very high94.4Very high28 Ų2827.1 Ų27.112%0.12216%0.156CC..EExtended strand (participates in β ladder)trans-108.4152.6170.1-52.8-60.8179.8165.60109.1D141 I142 C143 E173 N174 L270 L272K2-D141 PolarHBondContact N-O 3.36Å; K2-I142 HydrophobicContact CB-CG1 4.26Å; K2-I142 CarbonylContact O-C 3.56Å; K2-I142 WeakPolarHBondContact O-CA 3.44Å; K2-C143 PolarHBondContact O-N 3.15Å; K2-E173 PolarHBondContact NZ-O 2.97Å; K2-E173 VanDerWaalsContact NZ-O 3.1Å; K2-N174 CarbonylContact C-O 3.55Å; K2-N174 WeakPolarHBondContact CA-O 3.5Å; K2-N174 HydrophobicContact CD-CB 4.31Å; K2-N174 VanDerWaalsContact CD-OD1 3.29Å; K2-N174 WeakPolarHBondContact CD-OD1 3.27Å; K2-N174 WeakPolarHBondContact CE-OD1 3.25Å; K2-N174 PolarHBondContact NZ-OD1 3.32Å; K2-L270 HydrophobicContact CB-CD1 4.17Å; K2-L270 HydrophobicContact CB-CD2 4.28Å; K2-L270 HydrophobicContact CD-CB 4.26Å; K2-L270 HydrophobicContact CD-CD2 4.47Å; K2-L270 WeakPolarHBondContact CE-O 3.3Å; K2-L270 HydrophobicContact CG-CB 4.34Å; K2-L270 PolarHBondContact NZ-O 3.15Å; K2-L272 HydrophobicContact CG-CD1 4.12Å; K2-L272 HydrophobicContact CG-CD2 3.78Å; K2-L272 HydrophobicContact CG-CG 4.04Å
3Y98.5Very high93.6Very high11 Ų1130.2 Ų30.24%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-127.5128.4-176.7-58.7-84.6000110.3M1 V125 A129 C143 I145 F166 V170 N174 F175 V176M1-Y3 HydrophobicContact CB-CE2 4.18Å; M1-Y3 HydrophobicContact CG-CD1 4.39Å; M1-Y3 HydrophobicContact CG-CE1 3.72Å; M1-Y3 HydrophobicContact CG-CE2 3.84Å; M1-Y3 WeakPolarHBondContact CG-OH 3.47Å; Y3-V125 HydrophobicContact CD1-CG1 4.27Å; Y3-V125 HydrophobicContact CE1-CG1 4.02Å; Y3-A129 HydrophobicContact CE1-CB 3.69Å; Y3-C143 CarbonylContact C-O 3.13Å; Y3-C143 WeakPolarHBondContact CA-O 3.32Å; Y3-C143 HydrophobicContact CD1-CB 3.73Å; Y3-C143 HydrophobicContact CE1-CB 4.03Å; Y3-I145 HydrophobicContact CD1-CD1 3.95Å; Y3-F166 AromaticContact CD1-CE1 3.95Å; Y3-F166 HydrophobicContact CD1-CE1 3.95Å; Y3-F166 HydrophobicContact CD1-CZ 4.38Å; Y3-F166 AromaticContact CD2-CE1 3.86Å; Y3-F166 HydrophobicContact CD2-CE1 3.86Å; Y3-F166 HydrophobicContact CD2-CZ 4.36Å; Y3-F166 HydrophobicContact CE1-CE1 4.01Å; Y3-F166 AromaticContact CE1-CZ 3.97Å; Y3-F166 HydrophobicContact CE1-CZ 3.97Å; Y3-F166 AromaticContact CE2-CE1 3.93Å; Y3-F166 HydrophobicContact CE2-CE1 3.93Å; Y3-F166 AromaticContact CE2-CZ 3.95Å; Y3-F166 HydrophobicContact CE2-CZ 3.95Å; Y3-F166 AromaticContact CG-CE1 3.86Å; Y3-F166 HydrophobicContact CG-CE1 3.86Å; Y3-F166 AromaticContact CZ-CE1 3.99Å; Y3-F166 AromaticContact CZ-CZ 3.73Å; Y3-V170 HydrophobicContact CD2-CB 4.37Å; Y3-V170 HydrophobicContact CD2-CG1 4.25Å; Y3-V170 HydrophobicContact CD2-CG2 4.14Å; Y3-V170 HydrophobicContact CE2-CB 4.17Å; Y3-V170 HydrophobicContact CE2-CG1 3.76Å; Y3-V170 HydrophobicContact CE2-CG2 4.43Å; Y3-N174 WeakPolarHBondContact CD2-O 3.29Å; Y3-N174 PolarHBondContact N-O 2.99Å; Y3-F175 WeakPolarHBondContact O-CA 3.02Å; Y3-V176 PolarHBondContact O-N 3.25Å
4I98.3Very high93.4Very high1 Ų128.2 Ų28.21%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-112.9105.5172.3-56.2-178.7000107.1V6 I23 I142 C143 I144 I145 V176 V178 L270I4-V6 HydrophobicContact CG2-CG2 4.26Å; I4-I23 HydrophobicContact CD1-CG2 3.88Å; I4-I142 HydrophobicContact CD1-CG2 3.8Å; I4-I142 HydrophobicContact CG1-CG2 3.85Å; I4-C143 PolarHBondContact N-O 3.38Å; I4-I144 HydrophobicContact CB-CG1 4.45Å; I4-I144 HydrophobicContact CD1-CG1 4.5Å; I4-I145 PolarHBondContact O-N 3.4Å; I4-V176 WeakPolarHBondContact CA-O 3.12Å; I4-V176 HydrophobicContact CB-CG1 4.08Å; I4-V176 HydrophobicContact CG1-CG1 3.69Å; I4-V176 HydrophobicContact CG2-CG1 4.11Å; I4-V178 HydrophobicContact CG2-CG2 3.68Å; I4-L270 HydrophobicContact CG1-CD1 4.27Å
5L98.5Very high93.2Very high0 Ų028.1 Ų28.10%019%0.19CC..EExtended strand (participates in β ladder)trans-87.1116.4174.3178.367.6000109.8T7 I145 L147 F163 F175 V176 T177 V178 L209L5-T7 HydrophobicContact CD1-CG2 4.48Å; L5-T7 HydrophobicContact CD2-CG2 3.95Å; L5-T7 HydrophobicContact CG-CG2 3.88Å; L5-I145 CarbonylContact C-O 3.58Å; L5-I145 WeakPolarHBondContact CA-O 3.47Å; L5-I145 HydrophobicContact CD1-CB 4.02Å; L5-I145 HydrophobicContact CD1-CG2 3.76Å; L5-L147 HydrophobicContact CD1-CB 4.21Å; L5-F163 HydrophobicContact CD1-CD1 4.5Å; L5-F163 HydrophobicContact CD1-CD2 3.91Å; L5-F163 HydrophobicContact CD1-CE2 3.93Å; L5-F163 HydrophobicContact CD1-CG 4.23Å; L5-F163 HydrophobicContact CD1-CZ 4.25Å; L5-F163 HydrophobicContact CD2-CB 3.81Å; L5-F163 HydrophobicContact CD2-CD1 4.44Å; L5-F163 HydrophobicContact CD2-CD2 3.99Å; L5-F163 HydrophobicContact CD2-CG 3.81Å; L5-F175 HydrophobicContact CB-CE1 4.39Å; L5-F175 HydrophobicContact CB-CE2 4.08Å; L5-F175 HydrophobicContact CB-CZ 3.62Å; L5-F175 HydrophobicContact CD2-CZ 3.77Å; L5-F175 HydrophobicContact CG-CZ 4.32Å; L5-V176 PolarHBondContact N-O 2.89Å; L5-T177 CarbonylContact O-C 3.6Å; L5-T177 WeakPolarHBondContact O-CA 3.4Å; L5-V178 PolarHBondContact O-N 3.29Å; L5-L209 HydrophobicContact CD2-CD1 3.73Å
6V98Very high93.3Very high0 Ų027.4 Ų27.40%018%0.182CC..EExtended strand (participates in β ladder)trans-99.1120.6174.6-172.80000109.1I4 A20 I23 I144 I145 L147 V178 V180I4-V6 HydrophobicContact CG2-CG2 4.26Å; V6-A20 HydrophobicContact CB-CB 4.26Å; V6-A20 HydrophobicContact CG1-CB 4.29Å; V6-A20 HydrophobicContact CG2-CB 3.91Å; V6-I23 HydrophobicContact CG2-CD1 4.46Å; V6-I144 HydrophobicContact CG2-CG2 4.19Å; V6-I145 PolarHBondContact N-O 3.39Å; V6-L147 PolarHBondContact O-N 2.88Å; V6-V178 CarbonylContact C-O 3.51Å; V6-V178 VanDerWaalsContact CA-O 3.31Å; V6-V178 WeakPolarHBondContact CA-O 3.47Å; V6-V178 HydrophobicContact CG2-CB 4.32Å; V6-V180 HydrophobicContact CG1-CG2 3.75Å
7T97.6Very high93.3Very high0 Ų026 Ų260%017%0.174CC..EExtended strand (participates in β ladder)trans-118.2154.6-179.960.40000111.5L5 L147 I151 T177 V178 H179 V180 L204L5-T7 HydrophobicContact CD1-CG2 4.48Å; L5-T7 HydrophobicContact CD2-CG2 3.95Å; L5-T7 HydrophobicContact CG-CG2 3.88Å; T7-L147 HydrophobicContact CG2-CB 4.33Å; T7-L147 HydrophobicContact CG2-CD2 4.23Å; T7-I151 HydrophobicContact CG2-CD1 4.19Å; T7-T177 HydrophobicContact CG2-CG2 4.46Å; T7-V178 PolarHBondContact N-O 3.02Å; T7-V178 PolarHBondContact OG1-O 3.03Å; T7-H179 PolarHBondContact OG1-ND1 3.14Å; T7-V180 PolarHBondContact O-N 3.26Å; T7-L204 HydrophobicContact CG2-CD1 4.39Å
8G94.4Very high93.4Very high1 Ų126.3 Ų26.31%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-104.7141.417600000112.5I151G8-I151 WeakPolarHBondContact O-CB 3.33Å; G8-I151 VanDerWaalsContact O-CG1 3.28Å; G8-I151 WeakPolarHBondContact O-CG1 3.3Å; G8-I151 PolarHBondContact O-N 2.91Å
9G85.7Confident93.5Very high5 Ų525.4 Ų25.45%0.05217%0.168CC..  trans-98.2-100.4178.600000114.3I11 T150 V180 S200G9-I11 PolarHBondContact O-N 3.09Å; G9-T150 VanDerWaalsContact O-CB 3.29Å; G9-T150 WeakPolarHBondContact O-CB 3.31Å; G9-T150 WeakPolarHBondContact O-CG2 3.16Å; G9-V180 PolarHBondContact N-O 3.16Å; G9-S200 WeakPolarHBondContact CA-OG 3.32Å
10V89.9Confident93.6Very high55 Ų5524.2 Ų24.233%0.33316%0.16SC..SBendtrans-70.5-35.5-158.4-174.60000114.7S181 L182 P196V10-S181 WeakPolarHBondContact CG2-OG 3.43Å; V10-L182 HydrophobicContact CB-CB 4.09Å; V10-L182 HydrophobicContact CG2-CB 4.33Å; V10-P196 HydrophobicContact CB-CB 4.43Å; V10-P196 HydrophobicContact CG1-CB 3.85Å; V10-P196 HydrophobicContact CG2-CB 3.61Å
11I92.8Very high93.8Very high70 Ų7023 Ų2336%0.35915%0.152SC..  trans-141.8151.4-176.759.9166.9000111.3G9 I14 L182G9-I11 PolarHBondContact O-N 3.09Å; I11-I14 HydrophobicContact CG1-CB 4.13Å; I11-I14 HydrophobicContact CG1-CD1 4.45Å; I11-I14 HydrophobicContact CG1-CG1 4.46Å; I11-L182 HydrophobicContact CD1-CD2 3.91Å; I11-L182 HydrophobicContact CG1-CD2 4.27Å
12S85.4Confident93.8Very high89 Ų8919.9 Ų19.962%0.62214%0.137SC*.THydrogen-bonded Turntrans-67.6160.6160.9630000110.3I14S12-I14 PolarHBondContact O-N 3.33Å; S12-I14 VanDerWaalsContact O-N 3.16Å
13G84.5Confident93.7Very high68 Ų6818.8 Ų18.870%0.70113%0.133SC*.THydrogen-bonded Turntrans68.113-179.200000115.5G15G13-G15 PolarHBondContact O-N 2.93Å; G13-G15 VanDerWaalsContact O-N 3.14Å
14I90.2Very high93.6Very high2 Ų218.3 Ų18.31%0.0113%0.131CC..SBendtrans-64.4-17.9179.5-162.8163.4000113.8I11 S12 K16 V180 L182 R217I11-I14 HydrophobicContact CG1-CB 4.13Å; I11-I14 HydrophobicContact CG1-CD1 4.45Å; I11-I14 HydrophobicContact CG1-CG1 4.46Å; S12-I14 PolarHBondContact O-N 3.33Å; S12-I14 VanDerWaalsContact O-N 3.16Å; I14-K16 HydrophobicContact CG2-CG 3.85Å; I14-V180 HydrophobicContact CD1-CG1 4.25Å; I14-V180 HydrophobicContact CG1-CG1 4.27Å; I14-V180 HydrophobicContact CG2-CB 4.42Å; I14-V180 HydrophobicContact CG2-CG1 3.89Å; I14-L182 HydrophobicContact CD1-CB 3.74Å; I14-L182 VanDerWaalsContact CD1-N 3.26Å; I14-R217 HydrophobicContact CD1-CB 4.37Å; I14-R217 HydrophobicContact CG1-CB 4.06Å; I14-R217 WeakPolarHBondContact O-CD 3.48Å; I14-R217 PolarHBondContact O-NH1 3.23Å
15G91.2Very high93.4Very high26 Ų2618.4 Ų18.427%0.26813%0.131SC..  trans102.729.9-17600000114G13 G17 V18 I19G13-G15 PolarHBondContact O-N 2.93Å; G13-G15 VanDerWaalsContact O-N 3.14Å; G15-G17 PolarHBondContact O-N 3.21Å; G15-V18 PolarHBondContact O-N 3.03Å; G15-I19 WeakPolarHBondContact O-CG1 3.26Å; G15-I19 PolarHBondContact O-N 3.26Å
16K94.2Very high93.2Very high17 Ų1718.4 Ų18.47%0.07413%0.131CC..Hα-helixtrans-51.7-53.3176.6-72.1-168.9-64-79.30112.2I14 V18 I19 A20 E146 L147 G149I14-K16 HydrophobicContact CG2-CG 3.85Å; K16-V18 VanDerWaalsContact C-N 3.27Å; K16-V18 PolarHBondContact O-N 3.35Å; K16-I19 PolarHBondContact O-N 3.08Å; K16-I19 VanDerWaalsContact O-N 3.12Å; K16-A20 WeakPolarHBondContact O-CB 3.45Å; K16-A20 PolarHBondContact O-N 2.7Å; K16-E146 HydrophobicContact CB-CG 4.22Å; K16-E146 WeakPolarHBondContact CB-OE1 3.26Å; K16-L147 WeakPolarHBondContact CD-O 3.29Å; K16-L147 VanDerWaalsContact CE-O 3.28Å; K16-L147 WeakPolarHBondContact CE-O 3.28Å; K16-G149 PolarHBondContact NZ-O 2.63Å
17G93.4Very high93Very high4 Ų418.4 Ų18.44%0.04113%0.131CC..Hα-helixtrans-57.3-37.2178.900000113.6G15 S21 E146G15-G17 PolarHBondContact O-N 3.21Å; G17-S21 WeakPolarHBondContact O-CB 3.32Å; G17-S21 PolarHBondContact O-N 3.44Å; G17-S21 PolarHBondContact O-OG 3.33Å; G17-E146 VanDerWaalsContact CA-OE2 3.32Å; G17-E146 WeakPolarHBondContact CA-OE2 3.21Å; G17-E146 PolarHBondContact N-OE1 3.18Å
18V94.3Very high92.8Very high32 Ų3221.3 Ų21.319%0.19415%0.145CC..Hα-helixtrans-69-42.6176.3179.50000111.5G15 K16 S21 S22 I250 I253G15-V18 PolarHBondContact O-N 3.03Å; K16-V18 VanDerWaalsContact C-N 3.27Å; K16-V18 PolarHBondContact O-N 3.35Å; V18-S21 PolarHBondContact O-OG 3.12Å; V18-S21 VanDerWaalsContact O-OG 3.11Å; V18-S22 WeakPolarHBondContact O-CB 3.34Å; V18-S22 PolarHBondContact O-N 3.33Å; V18-S22 PolarHBondContact O-OG 3.39Å; V18-I250 HydrophobicContact CG1-CB 4.36Å; V18-I253 HydrophobicContact CG1-CB 4.28Å; V18-I253 HydrophobicContact CG1-CG1 4.01Å; V18-I253 HydrophobicContact CG1-CG2 4.31Å
19I95.8Very high92.7Very high9 Ų922.3 Ų22.35%0.04615%0.153CC..Hα-helixtrans-65.2-48176.4-64-55.1000110.4G15 K16 S22 I23 V180 V215 I244 I253G15-I19 WeakPolarHBondContact O-CG1 3.26Å; G15-I19 PolarHBondContact O-N 3.26Å; K16-I19 PolarHBondContact O-N 3.08Å; K16-I19 VanDerWaalsContact O-N 3.12Å; I19-S22 PolarHBondContact O-N 2.83Å; I19-I23 HydrophobicContact CG2-CD1 4.02Å; I19-I23 WeakPolarHBondContact O-CG1 3.22Å; I19-I23 PolarHBondContact O-N 3.11Å; I19-V180 HydrophobicContact CB-CG2 4.27Å; I19-V180 HydrophobicContact CG1-CG1 4.28Å; I19-V180 HydrophobicContact CG1-CG2 4.4Å; I19-V180 HydrophobicContact CG2-CG2 4.06Å; I19-V215 HydrophobicContact CD1-CG1 3.9Å; I19-V215 HydrophobicContact CG1-CG1 4.14Å; I19-V215 HydrophobicContact CG2-CB 4.44Å; I19-V215 HydrophobicContact CG2-CG1 4.19Å; I19-V215 HydrophobicContact CG2-CG2 4.11Å; I19-I244 HydrophobicContact CD1-CB 4.46Å; I19-I244 HydrophobicContact CD1-CG1 3.99Å; I19-I244 HydrophobicContact CD1-CG2 4.18Å; I19-I253 HydrophobicContact CD1-CG2 3.9Å
20A96.6Very high92.9Very high0 Ų023 Ų230%016%0.155CC..Hα-helixtrans-63.6-43.9-178.800000112.1V6 K16 S22 I23 G24 Y74 I144V6-A20 HydrophobicContact CB-CB 4.26Å; V6-A20 HydrophobicContact CG1-CB 4.29Å; V6-A20 HydrophobicContact CG2-CB 3.91Å; K16-A20 WeakPolarHBondContact O-CB 3.45Å; K16-A20 PolarHBondContact O-N 2.7Å; A20-S22 VanDerWaalsContact C-N 3.35Å; A20-I23 PolarHBondContact O-N 3.21Å; A20-G24 PolarHBondContact O-N 2.78Å; A20-G24 VanDerWaalsContact O-N 3.15Å; A20-Y74 HydrophobicContact CB-CE1 3.97Å; A20-Y74 WeakPolarHBondContact CB-OH 3.13Å; A20-I144 HydrophobicContact CB-CG2 3.97Å
21S96.4Very high92.9Very high0 Ų023.2 Ų23.20%017%0.168CC..Hα-helixtrans-65.5-38.8174.569.60000111.8G17 V18 I23 G24 V25 F77 L78G17-S21 WeakPolarHBondContact O-CB 3.32Å; G17-S21 PolarHBondContact O-N 3.44Å; G17-S21 PolarHBondContact O-OG 3.33Å; V18-S21 PolarHBondContact O-OG 3.12Å; V18-S21 VanDerWaalsContact O-OG 3.11Å; S21-I23 PolarHBondContact O-N 3.48Å; S21-G24 WeakPolarHBondContact O-CA 3.18Å; S21-G24 PolarHBondContact O-N 3.47Å; S21-V25 PolarHBondContact O-N 3.3Å; S21-F77 VanDerWaalsContact OG-CD1 3.29Å; S21-F77 WeakPolarHBondContact OG-CD1 3.15Å; S21-L78 WeakPolarHBondContact O-CD2 3.42Å
22S95.9Very high93Very high0 Ų020.9 Ų20.90%016%0.156CC..Hα-helixtrans-67.6-35.5177.7-61.70000112.9V18 I19 A20 G24 V25 V26 I253 P254V18-S22 WeakPolarHBondContact O-CB 3.34Å; V18-S22 PolarHBondContact O-N 3.33Å; V18-S22 PolarHBondContact O-OG 3.39Å; I19-S22 PolarHBondContact O-N 2.83Å; A20-S22 VanDerWaalsContact C-N 3.35Å; S22-G24 VanDerWaalsContact C-N 3.28Å; S22-G24 PolarHBondContact O-N 3.28Å; S22-V25 PolarHBondContact O-N 2.96Å; S22-V26 WeakPolarHBondContact O-CG2 3.35Å; S22-V26 PolarHBondContact O-N 2.91Å; S22-I253 WeakPolarHBondContact OG-CG2 3.5Å; S22-P254 WeakPolarHBondContact OG-CD 3.39Å
23I96Very high93.5Very high5 Ų519.9 Ų19.93%0.02614%0.139CC..Hα-helixtrans-58-46168.2-71.1167.3000109.5I4 V6 I19 A20 S21 V25 V26 V27 I144 V178 L257 F263I4-I23 HydrophobicContact CD1-CG2 3.88Å; V6-I23 HydrophobicContact CG2-CD1 4.46Å; I19-I23 HydrophobicContact CG2-CD1 4.02Å; I19-I23 WeakPolarHBondContact O-CG1 3.22Å; I19-I23 PolarHBondContact O-N 3.11Å; A20-I23 PolarHBondContact O-N 3.21Å; S21-I23 PolarHBondContact O-N 3.48Å; I23-V25 PolarHBondContact O-N 3.3Å; I23-V26 PolarHBondContact O-N 2.94Å; I23-V27 HydrophobicContact CG2-CG2 4.32Å; I23-V27 VanDerWaalsContact O-CG2 3.25Å; I23-V27 WeakPolarHBondContact O-CG2 3.41Å; I23-V27 PolarHBondContact O-N 2.93Å; I23-I144 HydrophobicContact CB-CD1 4.29Å; I23-I144 HydrophobicContact CG2-CD1 3.88Å; I23-V178 HydrophobicContact CD1-CG1 4.2Å; I23-V178 HydrophobicContact CD1-CG2 4.27Å; I23-L257 HydrophobicContact CG1-CD1 4.12Å; I23-F263 HydrophobicContact CB-CE1 4.41Å; I23-F263 HydrophobicContact CG1-CE1 4.5Å; I23-F263 HydrophobicContact CG1-CZ 4.46Å; I23-F263 HydrophobicContact CG2-CE1 4.11Å
24G96Very high94Very high0 Ų016.8 Ų16.80%011%0.106CC..Hα-helixtrans-60.1-41.4177.600000113.5A20 S21 S22 V26 V27 Q28 I144A20-G24 PolarHBondContact O-N 2.78Å; A20-G24 VanDerWaalsContact O-N 3.15Å; S21-G24 WeakPolarHBondContact O-CA 3.18Å; S21-G24 PolarHBondContact O-N 3.47Å; S22-G24 VanDerWaalsContact C-N 3.28Å; S22-G24 PolarHBondContact O-N 3.28Å; G24-V26 PolarHBondContact O-N 3.44Å; G24-V27 PolarHBondContact O-N 3.28Å; G24-Q28 WeakPolarHBondContact O-CG 3.34Å; G24-Q28 PolarHBondContact O-N 3.32Å; G24-I144 VanDerWaalsContact N-CD1 3.31Å
25V94.9Very high94.4Very high4 Ų416.7 Ų16.72%0.02411%0.106CC..Hα-helixtrans-58.9-47.8176.6168.10000111.2S21 S22 I23 V27 Q28 A29 F77 L78 P254 L282 W285S21-V25 PolarHBondContact O-N 3.3Å; S22-V25 PolarHBondContact O-N 2.96Å; I23-V25 PolarHBondContact O-N 3.3Å; V25-V27 VanDerWaalsContact C-N 3.34Å; V25-Q28 PolarHBondContact O-N 3.22Å; V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 2.72Å; V25-F77 HydrophobicContact CG2-CB 3.99Å; V25-F77 HydrophobicContact CG2-CD1 4.02Å; V25-F77 HydrophobicContact CG2-CG 4.5Å; V25-L78 HydrophobicContact CG2-CD2 3.96Å; V25-L78 VanDerWaalsContact N-CD2 3.31Å; V25-P254 HydrophobicContact CB-CB 4.17Å; V25-P254 HydrophobicContact CB-CG 4.25Å; V25-P254 HydrophobicContact CG1-CB 3.8Å; V25-P254 HydrophobicContact CG1-CG 4.14Å; V25-P254 HydrophobicContact CG2-CG 4.44Å; V25-L282 HydrophobicContact CG1-CD2 3.77Å; V25-W285 HydrophobicContact CB-CZ2 4.4Å; V25-W285 HydrophobicContact CG1-CD2 3.99Å; V25-W285 HydrophobicContact CG1-CG 4.16Å; V25-W285 HydrophobicContact CG1-CZ2 4.01Å; V25-W285 VanDerWaalsContact CG1-NE1 3.31Å; V25-W285 HydrophobicContact CG2-CH2 3.92Å; V25-W285 HydrophobicContact CG2-CZ2 3.44Å; V25-W285 VanDerWaalsContact CG2-CZ2 3.44Å
26V94.1Very high94.7Very high0 Ų015.5 Ų15.50%09%0.093CC..Hα-helixtrans-70.6-34-178.7-1770000111.1S22 I23 G24 A29 H30 P254 A258 F263 L282S22-V26 WeakPolarHBondContact O-CG2 3.35Å; S22-V26 PolarHBondContact O-N 2.91Å; I23-V26 PolarHBondContact O-N 2.94Å; G24-V26 PolarHBondContact O-N 3.44Å; V26-A29 WeakPolarHBondContact O-CB 3.43Å; V26-A29 PolarHBondContact O-N 3.13Å; V26-H30 PolarHBondContact O-N 3.46Å; V26-H30 PolarHBondContact O-ND1 2.86Å; V26-P254 HydrophobicContact CG2-CB 4.21Å; V26-P254 WeakPolarHBondContact CG2-O 3.41Å; V26-A258 HydrophobicContact CG1-CB 4.37Å; V26-A258 HydrophobicContact CG2-CB 4.35Å; V26-F263 HydrophobicContact CB-CD1 4.16Å; V26-F263 HydrophobicContact CB-CD2 4.09Å; V26-F263 HydrophobicContact CB-CE1 3.63Å; V26-F263 HydrophobicContact CB-CE2 3.54Å; V26-F263 HydrophobicContact CB-CG 4.37Å; V26-F263 HydrophobicContact CB-CZ 3.3Å; V26-F263 HydrophobicContact CG1-CD1 3.88Å; V26-F263 HydrophobicContact CG1-CD2 3.38Å; V26-F263 HydrophobicContact CG1-CE1 3.85Å; V26-F263 HydrophobicContact CG1-CE2 3.33Å; V26-F263 HydrophobicContact CG1-CG 3.66Å; V26-F263 HydrophobicContact CG1-CZ 3.61Å; V26-F263 HydrophobicContact CG2-CE1 4.42Å; V26-F263 HydrophobicContact CG2-CE2 3.66Å; V26-F263 HydrophobicContact CG2-CZ 3.61Å; V26-L282 HydrophobicContact CG2-CD1 4.26Å
27V93.6Very high94.9Very high0 Ų014.7 Ų14.70%09%0.09CC..Hα-helixtrans-62.4-45.2172170.20000111.2I23 G24 V25 A29 H30 L32 V34 I142 F263 F267I23-V27 HydrophobicContact CG2-CG2 4.32Å; I23-V27 VanDerWaalsContact O-CG2 3.25Å; I23-V27 WeakPolarHBondContact O-CG2 3.41Å; I23-V27 PolarHBondContact O-N 2.93Å; G24-V27 PolarHBondContact O-N 3.28Å; V25-V27 VanDerWaalsContact C-N 3.34Å; V27-A29 VanDerWaalsContact C-N 3.29Å; V27-A29 PolarHBondContact O-N 3.18Å; V27-H30 WeakPolarHBondContact O-CB 3.17Å; V27-H30 PolarHBondContact O-N 3Å; V27-L32 HydrophobicContact CG1-CB 3.66Å; V27-L32 HydrophobicContact CG1-CD1 4.06Å; V27-L32 HydrophobicContact CG1-CG 4.47Å; V27-L32 PolarHBondContact O-N 3.26Å; V27-V34 HydrophobicContact CB-CG2 3.83Å; V27-V34 HydrophobicContact CG1-CG2 3.34Å; V27-I142 HydrophobicContact CG1-CB 4.46Å; V27-I142 HydrophobicContact CG1-CD1 3.65Å; V27-I142 HydrophobicContact CG1-CG1 4.21Å; V27-I142 HydrophobicContact CG2-CD1 4.18Å; V27-F263 HydrophobicContact CG2-CD1 4.44Å; V27-F263 HydrophobicContact CG2-CE1 4.37Å; V27-F267 HydrophobicContact CG2-CE1 4.19Å; V27-F267 HydrophobicContact CG2-CZ 4.48Å
28Q92.8Very high95.1Very high60 Ų6014.7 Ų14.728%0.289%0.089SC..Hα-helixtrans-61.8-36.5174.8-76.4179.9-42.900112.2G24 V25 H30 G31 L32 V34 L78G24-Q28 WeakPolarHBondContact O-CG 3.34Å; G24-Q28 PolarHBondContact O-N 3.32Å; V25-Q28 PolarHBondContact O-N 3.22Å; Q28-H30 PolarHBondContact O-N 3.3Å; Q28-H30 VanDerWaalsContact O-N 3.17Å; Q28-G31 WeakPolarHBondContact O-CA 3.43Å; Q28-G31 PolarHBondContact O-N 3.23Å; Q28-L32 WeakPolarHBondContact CA-O 3.42Å; Q28-V34 HydrophobicContact CG-CB 4.36Å; Q28-V34 HydrophobicContact CG-CG2 3.95Å; Q28-L78 PolarHBondContact NE2-O 3.41Å; Q28-L78 PolarHBondContact OE1-O 2.84Å
29A92.1Very high95.3Very high23 Ų2313.2 Ų13.219%0.198%0.08CC..Hα-helixtrans-63.5-17.4174.800000113.4V25 V26 V27 F277 A281 L282V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 2.72Å; V26-A29 WeakPolarHBondContact O-CB 3.43Å; V26-A29 PolarHBondContact O-N 3.13Å; V27-A29 VanDerWaalsContact C-N 3.29Å; V27-A29 PolarHBondContact O-N 3.18Å; A29-F277 HydrophobicContact CB-CE2 3.93Å; A29-A281 HydrophobicContact CB-CB 3.87Å; A29-A281 WeakPolarHBondContact O-CB 3.42Å; A29-L282 HydrophobicContact CB-CD2 3.67Å; A29-L282 HydrophobicContact CB-CG 4.09Å
30H91.5Very high95.3Very high20 Ų2012.9 Ų12.99%0.0938%0.078CC..THydrogen-bonded Turntrans-93.912.9170.2-68.281.6000113.3V26 V27 Q28 L32 F267 V274 S275 F277V26-H30 PolarHBondContact O-N 3.46Å; V26-H30 PolarHBondContact O-ND1 2.86Å; V27-H30 WeakPolarHBondContact O-CB 3.17Å; V27-H30 PolarHBondContact O-N 3Å; Q28-H30 PolarHBondContact O-N 3.3Å; Q28-H30 VanDerWaalsContact O-N 3.17Å; H30-L32 VanDerWaalsContact C-N 3.32Å; H30-L32 PolarHBondContact O-N 3.06Å; H30-F267 HydrophobicContact CB-CE2 4.28Å; H30-F267 HydrophobicContact CB-CZ 4.1Å; H30-F267 AromaticContact CD2-CE2 3.51Å; H30-F267 AromaticContact CE1-CE2 3.69Å; H30-F267 AromaticContact CG-CE2 3.61Å; H30-F267 AromaticContact CG-CZ 3.75Å; H30-F267 AromaticContact ND1-CE2 3.73Å; H30-F267 AromaticContact ND1-CZ 3.74Å; H30-F267 AromaticContact NE2-CE2 3.56Å; H30-V274 HydrophobicContact CB-CB 4.31Å; H30-V274 HydrophobicContact CB-CG1 4.29Å; H30-S275 PolarHBondContact O-OG 3.4Å; H30-F277 AromaticContact CD2-CD2 3.81Å; H30-F277 AromaticContact CE1-CD2 3.12Å; H30-F277 WeakPolarHBondContact CE1-CD2 3.18Å; H30-F277 AromaticContact CE1-CE2 3.58Å; H30-F277 AromaticContact CE1-CG 3.93Å; H30-F277 AromaticContact ND1-CD2 3.66Å; H30-F277 AromaticContact ND1-CE2 3.99Å; H30-F277 AromaticContact NE2-CD2 3.22Å; H30-F277 WeakPolarHBondContact NE2-CD2 3.32Å; H30-F277 AromaticContact NE2-CG 3.65Å
31G90.3Very high95.2Very high58 Ų5813.9 Ų13.960%0.5988%0.084SC*.THydrogen-bonded Turntrans77.412.3176.800000115.1Q28Q28-G31 WeakPolarHBondContact O-CA 3.43Å; Q28-G31 PolarHBondContact O-N 3.23Å
32L93.6Very high95Very high22 Ų2215.6 Ų15.612%0.1159%0.091CC..  trans-92.7144.6178.6-63.8-179.1000111.7V27 Q28 H30 D141 I142 F267 L272 V274V27-L32 HydrophobicContact CG1-CB 3.66Å; V27-L32 HydrophobicContact CG1-CD1 4.06Å; V27-L32 HydrophobicContact CG1-CG 4.47Å; V27-L32 PolarHBondContact O-N 3.26Å; Q28-L32 WeakPolarHBondContact CA-O 3.42Å; H30-L32 VanDerWaalsContact C-N 3.32Å; H30-L32 PolarHBondContact O-N 3.06Å; L32-D141 HydrophobicContact CB-CB 4.3Å; L32-D141 HydrophobicContact CD2-CB 4.11Å; L32-I142 HydrophobicContact CD1-CD1 3.9Å; L32-I142 HydrophobicContact CD1-CG1 4.33Å; L32-F267 HydrophobicContact CD1-CE1 4.13Å; L32-L272 HydrophobicContact CD1-CD1 4.08Å; L32-V274 HydrophobicContact CD1-CG1 3.7Å; L32-V274 HydrophobicContact CG-CG1 4.22Å
33R95.3Very high95Very high67 Ų6721.7 Ų21.725%0.25312%0.123SC..  trans-85.5132.2176.2-67.5172.5-57.6-57.6-11110.4D134 P139 D141 I142R33-D134 WeakPolarHBondContact CD-OD2 2.99Å; R33-D134 WeakPolarHBondContact CG-OD2 3.48Å; R33-P139 PolarHBondContact NE-O 3.48Å; R33-P139 PolarHBondContact NH2-O 2.81Å; R33-P139 VanDerWaalsContact NH2-O 3.16Å; R33-D141 IonicContact CZ-OD1 3.89Å; R33-D141 IonicContact CZ-OD2 3.98Å; R33-D141 PolarHBondContact N-OD2 2.83Å; R33-D141 IonicContact NE-OD2 2.91Å; R33-D141 IonicContact NH1-OD2 2.63Å; R33-D141 PolarHBondContact NH1-OD2 3.33Å; R33-D141 VanDerWaalsContact NH1-OD2 3.09Å; R33-D141 IonicContact NH2-OD1 2.73Å; R33-D141 PolarHBondContact NH2-OD1 3.13Å; R33-D141 IonicContact NH2-OD2 3.2Å; R33-D141 PolarHBondContact NH2-OD2 3.39Å; R33-D141 PolarHBondContact O-N 3.23Å; R33-I142 PolarHBondContact O-N 3.49Å; R33-I142 VanDerWaalsContact O-N 3.12Å
34V97Very high95Very high3 Ų324.4 Ų24.42%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-117.5136.6-174.51800000110.4V27 Q28 L78 I142 I144V27-V34 HydrophobicContact CB-CG2 3.83Å; V27-V34 HydrophobicContact CG1-CG2 3.34Å; Q28-V34 HydrophobicContact CG-CB 4.36Å; Q28-V34 HydrophobicContact CG-CG2 3.95Å; V34-L78 HydrophobicContact CG1-CD1 4.11Å; V34-I142 WeakPolarHBondContact CA-O 3.48Å; V34-I144 HydrophobicContact CG1-CD1 3.68Å; V34-I144 HydrophobicContact CG1-CG1 3.94Å
35V98.1Very high94.9Very high0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-122.7123.1166.860.60000110.8A129 V133 P140 I142 C143 I144V35-A129 HydrophobicContact CG1-CB 4.46Å; V35-A129 WeakPolarHBondContact CG1-O 3.48Å; V35-V133 HydrophobicContact CB-CG2 4.03Å; V35-V133 HydrophobicContact CG2-CG1 3.87Å; V35-V133 HydrophobicContact CG2-CG2 4.01Å; V35-P140 HydrophobicContact CB-CB 3.98Å; V35-P140 HydrophobicContact CB-CG 3.66Å; V35-P140 HydrophobicContact CG1-CB 3.65Å; V35-P140 HydrophobicContact CG1-CG 3.64Å; V35-I142 PolarHBondContact N-O 3.45Å; V35-C143 HydrophobicContact CG1-CB 3.76Å; V35-C143 CarbonylContact O-C 3.59Å; V35-C143 WeakPolarHBondContact O-CA 3.42Å; V35-I144 PolarHBondContact O-N 2.99Å
36P98Very high94.9Very high1 Ų130.3 Ų30.31%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-86.6145.3173.133.9-33000111.4Y74 L78 V80 L82 N86 I144P36-Y74 HydrophobicContact CB-CD1 3.34Å; P36-Y74 HydrophobicContact CB-CD2 4.28Å; P36-Y74 HydrophobicContact CB-CE1 3.7Å; P36-Y74 HydrophobicContact CB-CG 3.65Å; P36-Y74 HydrophobicContact CG-CD1 3.93Å; P36-Y74 HydrophobicContact CG-CG 3.92Å; P36-L78 HydrophobicContact CG-CD1 4.25Å; P36-V80 HydrophobicContact CG-CG2 4.39Å; P36-L82 HydrophobicContact CG-CD1 3.81Å; P36-L82 HydrophobicContact CG-CD2 3.5Å; P36-L82 VanDerWaalsContact CG-CD2 3.5Å; P36-L82 HydrophobicContact CG-CG 4.27Å; P36-N86 PolarHBondContact O-ND2 3.36Å; P36-I144 CarbonylContact C-O 3.57Å; P36-I144 VanDerWaalsContact CA-O 3.26Å; P36-I144 WeakPolarHBondContact CA-O 3.47Å
37I98.3Very high94.8Very high0 Ų030.3 Ų30.30%017%0.169CC..EExtended strand (participates in β ladder)trans-129.6124.6166.4-63.3179.2000107.3N86 I88 V125 V128 I144 I145 E146I37-N86 CarbonylContact C-O 3.56Å; I37-N86 WeakPolarHBondContact CA-O 3.42Å; I37-I88 HydrophobicContact CG2-CD1 3.67Å; I37-I88 HydrophobicContact CG2-CG1 4.05Å; I37-V125 HydrophobicContact CD1-CG1 4.32Å; I37-V128 HydrophobicContact CD1-CB 3.97Å; I37-V128 HydrophobicContact CD1-CG1 3.88Å; I37-V128 HydrophobicContact CG1-CG1 4.09Å; I37-I144 PolarHBondContact N-O 3.31Å; I37-I145 CarbonylContact O-C 3.57Å; I37-I145 VanDerWaalsContact O-CA 3.3Å; I37-I145 WeakPolarHBondContact O-CA 3.19Å; I37-E146 PolarHBondContact O-N 3Å
38K97.5Very high94.7Very high5 Ų531 Ų312%0.02218%0.175CC..EExtended strand (participates in β ladder)trans-102.1133.7173-17964.1167.161.10109.5D40 L71 N86 N87 I88 E146K38-D40 IonicContact NZ-OD1 3.25Å; K38-D40 PolarHBondContact NZ-OD1 3.46Å; K38-L71 HydrophobicContact CB-CD1 3.12Å; K38-L71 HydrophobicContact CG-CD1 3.85Å; K38-N86 PolarHBondContact N-O 2.99Å; K38-N87 WeakPolarHBondContact O-CA 3.37Å; K38-I88 PolarHBondContact O-N 3.24Å; K38-E146 HydrophobicContact CD-CB 3.76Å; K38-E146 HydrophobicContact CD-CG 3.62Å; K38-E146 WeakPolarHBondContact CD-OE2 3.33Å; K38-E146 VanDerWaalsContact CE-OE1 3.3Å; K38-E146 WeakPolarHBondContact CE-OE1 3.43Å
39I97.4Very high94.6Very high0 Ų033.3 Ų33.30%019%0.194CC..EExtended strand (participates in β ladder)trans-106.3129.8170.9-62.7171000108.3I88 I145 E146 L147 G148 F159 F163I39-I88 CarbonylContact C-O 3.5Å; I39-I88 WeakPolarHBondContact CA-O 3.42Å; I39-I88 HydrophobicContact CG1-CB 4.1Å; I39-I88 HydrophobicContact CG1-CD1 4.25Å; I39-I145 HydrophobicContact CD1-CG2 3.79Å; I39-I145 HydrophobicContact CG1-CG2 4.4Å; I39-E146 PolarHBondContact N-O 2.94Å; I39-L147 HydrophobicContact CB-CD1 4.02Å; I39-L147 HydrophobicContact CD1-CD1 4.44Å; I39-L147 HydrophobicContact CG2-CD1 3.65Å; I39-G148 WeakPolarHBondContact O-CA 3.43Å; I39-G148 PolarHBondContact O-N 2.99Å; I39-F159 HydrophobicContact CD1-CD1 4.18Å; I39-F159 HydrophobicContact CG2-CB 4.49Å; I39-F159 HydrophobicContact CG2-CD1 3.42Å; I39-F159 VanDerWaalsContact CG2-CD1 3.42Å; I39-F159 HydrophobicContact CG2-CD2 3.96Å; I39-F159 HydrophobicContact CG2-CE1 3.42Å; I39-F159 VanDerWaalsContact CG2-CE1 3.42Å; I39-F159 HydrophobicContact CG2-CE2 3.95Å; I39-F159 HydrophobicContact CG2-CG 3.7Å; I39-F159 HydrophobicContact CG2-CZ 3.69Å; I39-F163 HydrophobicContact CD1-CE2 3.34Å; I39-F163 HydrophobicContact CD1-CZ 3.47Å; I39-F163 VanDerWaalsContact CD1-CZ 3.47Å
40D95.4Very high94.3Very high3 Ų333.6 Ų33.62%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-116.4111.5177.5-74.8-27.9000109.1K38 Y42 N87 I88 T89 T90K38-D40 IonicContact NZ-OD1 3.25Å; K38-D40 PolarHBondContact NZ-OD1 3.46Å; D40-Y42 HydrophobicContact CB-CD1 3.78Å; D40-Y42 HydrophobicContact CB-CD2 4.45Å; D40-Y42 HydrophobicContact CB-CE1 3.32Å; D40-Y42 HydrophobicContact CB-CE2 4.09Å; D40-Y42 HydrophobicContact CB-CG 4.31Å; D40-Y42 VanDerWaalsContact CB-CZ 3.47Å; D40-Y42 VanDerWaalsContact CG-CE1 3.43Å; D40-Y42 PolarHBondContact O-N 3.22Å; D40-Y42 VanDerWaalsContact O-N 3.16Å; D40-Y42 PolarHBondContact OD2-OH 3.48Å; D40-N87 PolarHBondContact OD2-ND2 3.02Å; D40-I88 PolarHBondContact N-O 2.96Å; D40-T89 HydrophobicContact CB-CG2 4.15Å; D40-T89 VanDerWaalsContact O-CA 3.3Å; D40-T89 WeakPolarHBondContact O-CA 3.25Å; D40-T90 PolarHBondContact O-N 3.34Å
41P94.4Very high93.9Very high20 Ų2035.1 Ų35.113%0.1320%0.204CC..  trans-74.9-2.6-174.630.3-35.1000113.6T90 E155 F159P41-T90 VanDerWaalsContact C-OG1 3.26Å; P41-T90 PolarHBondContact O-OG1 2.79Å; P41-E155 HydrophobicContact CB-CB 3.81Å; P41-F159 HydrophobicContact CB-CE2 4.3Å
42Y93.4Very high93.3Very high36 Ų3634.2 Ų34.214%0.14119%0.187CC..SBendtrans-67.6157.217560.1-115.9000112.7D40 N44 F50 T89 T90D40-Y42 HydrophobicContact CB-CD1 3.78Å; D40-Y42 HydrophobicContact CB-CD2 4.45Å; D40-Y42 HydrophobicContact CB-CE1 3.32Å; D40-Y42 HydrophobicContact CB-CE2 4.09Å; D40-Y42 HydrophobicContact CB-CG 4.31Å; D40-Y42 VanDerWaalsContact CB-CZ 3.47Å; D40-Y42 VanDerWaalsContact CG-CE1 3.43Å; D40-Y42 PolarHBondContact O-N 3.22Å; D40-Y42 VanDerWaalsContact O-N 3.16Å; D40-Y42 PolarHBondContact OD2-OH 3.48Å; Y42-N44 HydrophobicContact CD2-CB 3.78Å; Y42-N44 HydrophobicContact CE2-CB 3.96Å; Y42-N44 WeakPolarHBondContact CE2-O 3.37Å; Y42-F50 HydrophobicContact CD1-CE2 4.32Å; Y42-F50 HydrophobicContact CD1-CZ 4.04Å; Y42-F50 AromaticContact CD2-CZ 3.98Å; Y42-F50 HydrophobicContact CD2-CZ 3.98Å; Y42-F50 AromaticContact CE1-CE2 3.93Å; Y42-F50 HydrophobicContact CE1-CE2 3.93Å; Y42-F50 HydrophobicContact CE1-CZ 4.03Å; Y42-F50 HydrophobicContact CE2-CE2 4.36Å; Y42-F50 AromaticContact CE2-CZ 3.95Å; Y42-F50 HydrophobicContact CE2-CZ 3.95Å; Y42-F50 HydrophobicContact CG-CZ 4.05Å; Y42-F50 AromaticContact CZ-CE2 3.99Å; Y42-T89 HydrophobicContact CD2-CG2 4.38Å; Y42-T89 HydrophobicContact CE2-CG2 3.55Å; Y42-T90 VanDerWaalsContact O-CB 3.31Å; Y42-T90 WeakPolarHBondContact O-CB 3.49Å; Y42-T90 PolarHBondContact O-N 2.75Å
43L95Very high92.4Very high128 Ų12837.7 Ų37.767%0.6720%0.202SC*.SBendtrans-80-21.3-175.4-75.4173.9000114.7I45 T90 G91L43-I45 PolarHBondContact O-N 3.35Å; L43-T90 HydrophobicContact CD2-CG2 3.77Å; L43-G91 WeakPolarHBondContact O-CA 3.45Å; L43-G91 PolarHBondContact O-N 2.99Å
44N95.6Very high91.5Very high62 Ų6241.9 Ų41.933%0.33222%0.224SC..  trans-57.1140176.4-67.264.9000110.9Y42 D46 T49 F50 T89Y42-N44 HydrophobicContact CD2-CB 3.78Å; Y42-N44 HydrophobicContact CE2-CB 3.96Å; Y42-N44 WeakPolarHBondContact CE2-O 3.37Å; N44-D46 VanDerWaalsContact C-N 3.26Å; N44-D46 WeakPolarHBondContact CB-O 3.27Å; N44-D46 PolarHBondContact O-N 3.42Å; N44-T49 PolarHBondContact ND2-OG1 3.27Å; N44-F50 HydrophobicContact CB-CE1 3.83Å; N44-F50 HydrophobicContact CB-CZ 4.09Å; N44-T89 WeakPolarHBondContact O-CB 3.3Å; N44-T89 PolarHBondContact O-OG1 3.13Å
45I95.4Very high90.5Very high72 Ų7246.1 Ų46.137%0.36924%0.243SC..SBendtrans-66.7-35.8-179.6-66.4163.7000110.5L43 T89 K92 M95L43-I45 PolarHBondContact O-N 3.35Å; I45-T89 WeakPolarHBondContact O-CG2 3.21Å; I45-T89 PolarHBondContact O-OG1 2.69Å; I45-K92 WeakPolarHBondContact O-CE 3.29Å; I45-M95 HydrophobicContact CD1-CE 3.88Å; I45-M95 HydrophobicContact CD1-SD 3.62Å; I45-M95 HydrophobicContact CG1-CE 4.23Å; I45-M95 HydrophobicContact CG1-SD 4.44Å; I45-M95 HydrophobicContact CG2-CE 3.77Å
46D93.8Very high89.8Confident56 Ų5646.5 Ų46.530%0.29925%0.247SC..SBendtrans-149.1177.1178.463.939.3000109.6N44 G48 E66N44-D46 VanDerWaalsContact C-N 3.26Å; N44-D46 WeakPolarHBondContact CB-O 3.27Å; N44-D46 PolarHBondContact O-N 3.42Å; D46-G48 PolarHBondContact OD1-N 2.84Å; D46-E66 WeakPolarHBondContact CB-O 3.2Å
47A92.7Very high89.4Confident1 Ų147.3 Ų47.31%0.00825%0.251CS..SBendtrans-88.4-3.718000000113.2T49 F50 V58 E66 V67A47-T49 PolarHBondContact O-N 3.44Å; A47-T49 VanDerWaalsContact O-N 3.09Å; A47-F50 HydrophobicContact CB-CD2 3.82Å; A47-F50 HydrophobicContact CB-CE2 4.13Å; A47-F50 WeakPolarHBondContact O-CB 3.4Å; A47-F50 PolarHBondContact O-N 3.11Å; A47-V58 HydrophobicContact CB-CG1 4.47Å; A47-V58 WeakPolarHBondContact O-CG2 3.44Å; A47-E66 PolarHBondContact N-O 3.38Å; A47-V67 VanDerWaalsContact CB-C 3.46Å
48G91.9Very high89.1Confident13 Ų1347.7 Ų47.713%0.13425%0.253CS..THydrogen-bonded Turntrans-61.5-27.9-167.800000113.9D46 E66 R480D46-G48 PolarHBondContact OD1-N 2.84Å; G48-E66 VanDerWaalsContact CA-OE1 3.27Å; G48-E66 WeakPolarHBondContact CA-OE1 3.35Å; G48-R480 PolarHBondContact O-NH2 3.23Å
49T89.7Confident89Confident109 Ų10947.4 Ų47.467%0.66925%0.252SS*.THydrogen-bonded Turntrans-91.61.717963.30000114.2N44 A47N44-T49 PolarHBondContact ND2-OG1 3.27Å; A47-T49 PolarHBondContact O-N 3.44Å; A47-T49 VanDerWaalsContact O-N 3.09Å
50F85.9Confident88.9Confident30 Ų3047.4 Ų47.413%0.13225%0.252CS..  trans-69.7140.9-179.9-73.8-17.5000112.3Y42 N44 A47 H55Y42-F50 HydrophobicContact CD1-CE2 4.32Å; Y42-F50 HydrophobicContact CD1-CZ 4.04Å; Y42-F50 AromaticContact CD2-CZ 3.98Å; Y42-F50 HydrophobicContact CD2-CZ 3.98Å; Y42-F50 AromaticContact CE1-CE2 3.93Å; Y42-F50 HydrophobicContact CE1-CE2 3.93Å; Y42-F50 HydrophobicContact CE1-CZ 4.03Å; Y42-F50 HydrophobicContact CE2-CE2 4.36Å; Y42-F50 AromaticContact CE2-CZ 3.95Å; Y42-F50 HydrophobicContact CE2-CZ 3.95Å; Y42-F50 HydrophobicContact CG-CZ 4.05Å; Y42-F50 AromaticContact CZ-CE2 3.99Å; N44-F50 HydrophobicContact CB-CE1 3.83Å; N44-F50 HydrophobicContact CB-CZ 4.09Å; A47-F50 HydrophobicContact CB-CD2 3.82Å; A47-F50 HydrophobicContact CB-CE2 4.13Å; A47-F50 WeakPolarHBondContact O-CB 3.4Å; A47-F50 PolarHBondContact O-N 3.11Å; F50-H55 HydrophobicContact CB-CB 4.47Å; F50-H55 HydrophobicContact CD2-CB 3.43Å; F50-H55 VanDerWaalsContact CD2-CB 3.43Å; F50-H55 AromaticContact CD2-CD2 3.81Å; F50-H55 AromaticContact CD2-CG 3.79Å; F50-H55 AromaticContact CE1-CD2 3.89Å; F50-H55 HydrophobicContact CE2-CB 3.76Å; F50-H55 AromaticContact CE2-CD2 3.51Å; F50-H55 AromaticContact CE2-CG 3.62Å; F50-H55 HydrophobicContact CG-CB 4.11Å; F50-H55 AromaticContact CZ-CD2 3.55Å
51S83.4Confident89Confident52 Ų5247.3 Ų47.336%0.36425%0.251SS..  trans-72131.5161177.80000108.3F53 E54S51-F53 PolarHBondContact O-N 2.95Å; S51-F53 PolarHBondContact OG-N 3.37Å; S51-E54 PolarHBondContact O-N 3.24Å
52P78.3Confident89.1Confident39 Ų3948.1 Ų48.125%0.25325%0.254SS..Hα-helixtrans-57.8-16.1174.2-2735.6000114.9G56 Y307 A313P52-G56 WeakPolarHBondContact CA-O 3.34Å; P52-G56 VanDerWaalsContact O-CA 3.31Å; P52-G56 WeakPolarHBondContact O-CA 3.46Å; P52-G56 PolarHBondContact O-N 3.05Å; P52-Y307 HydrophobicContact CB-CD2 4.21Å; P52-Y307 HydrophobicContact CB-CE2 4.11Å; P52-Y307 HydrophobicContact CG-CE2 4.13Å; P52-A313 HydrophobicContact CB-CB 3.94Å
53F74.5Confident89.3Confident95 Ų9549.5 Ų49.542%0.41726%0.264SS..Hα-helixtrans-70.3-32.5173.7-80.1-76.5000114.2S51 Y307 L310S51-F53 PolarHBondContact O-N 2.95Å; S51-F53 PolarHBondContact OG-N 3.37Å; F53-Y307 HydrophobicContact CD2-CD1 4.16Å; F53-Y307 AromaticContact CD2-CE1 3.76Å; F53-Y307 HydrophobicContact CD2-CE1 3.76Å; F53-Y307 AromaticContact CE1-CD1 3.88Å; F53-Y307 HydrophobicContact CE1-CD1 3.88Å; F53-Y307 HydrophobicContact CE1-CE1 4.3Å; F53-Y307 AromaticContact CE2-CD1 3.4Å; F53-Y307 HydrophobicContact CE2-CD1 3.4Å; F53-Y307 VanDerWaalsContact CE2-CD1 3.4Å; F53-Y307 AromaticContact CE2-CE1 2.95Å; F53-Y307 HydrophobicContact CE2-CE1 2.95Å; F53-Y307 HydrophobicContact CE2-CG 4.47Å; F53-Y307 AromaticContact CE2-CZ 3.71Å; F53-Y307 AromaticContact CZ-CD1 3.19Å; F53-Y307 HydrophobicContact CZ-CD1 3.19Å; F53-Y307 AromaticContact CZ-CE1 3.27Å; F53-Y307 HydrophobicContact CZ-CE1 3.27Å; F53-Y307 HydrophobicContact CZ-CG 4.31Å; F53-L310 HydrophobicContact CD1-CD1 3.13Å; F53-L310 HydrophobicContact CE1-CD1 3.3Å; F53-L310 HydrophobicContact CG-CD1 4.25Å
54E75.1Confident89.3Confident155 Ų15544.1 Ų44.172%0.72424%0.24SC*.Hα-helixtrans-89.6-48.6-170.3-68.8-70.1168.100111.2S51S51-E54 PolarHBondContact O-N 3.24Å
55H75.9Confident89.3Confident92 Ų9241.4 Ų41.443%0.42623%0.226SC..Hα-helixtrans-123.110.4-171.4-82.4-66.1000113.7F50F50-H55 HydrophobicContact CB-CB 4.47Å; F50-H55 HydrophobicContact CD2-CB 3.43Å; F50-H55 VanDerWaalsContact CD2-CB 3.43Å; F50-H55 AromaticContact CD2-CD2 3.81Å; F50-H55 AromaticContact CD2-CG 3.79Å; F50-H55 AromaticContact CE1-CD2 3.89Å; F50-H55 HydrophobicContact CE2-CB 3.76Å; F50-H55 AromaticContact CE2-CD2 3.51Å; F50-H55 AromaticContact CE2-CG 3.62Å; F50-H55 HydrophobicContact CG-CB 4.11Å; F50-H55 AromaticContact CZ-CD2 3.55Å
56G83.9Confident89.3Confident7 Ų739.5 Ų39.57%0.07222%0.216CC..  trans73-162.5-174.700000112.6P52P52-G56 WeakPolarHBondContact CA-O 3.34Å; P52-G56 VanDerWaalsContact O-CA 3.31Å; P52-G56 WeakPolarHBondContact O-CA 3.46Å; P52-G56 PolarHBondContact O-N 3.05Å
57E88.9Confident89.4Confident19 Ų1937 Ų379%0.08920%0.202CC..PPolyproline II helixtrans-66141.3-176.2-170.1-166.8173.600113.5D312 S316 Y530E57-D312 PolarHBondContact N-O 3.32Å; E57-S316 VanDerWaalsContact CD-OG 3.31Å; E57-S316 WeakPolarHBondContact OE1-CB 3.33Å; E57-S316 PolarHBondContact OE1-OG 3.11Å; E57-S316 WeakPolarHBondContact OE2-CA 2.97Å; E57-S316 WeakPolarHBondContact OE2-CB 3.4Å; E57-S316 PolarHBondContact OE2-N 2.94Å; E57-S316 PolarHBondContact OE2-OG 3.25Å; E57-Y530 VanDerWaalsContact OE1-CE1 3.31Å; E57-Y530 WeakPolarHBondContact OE1-CE1 3.3Å
58V92.8Very high89.3Confident7 Ų737.9 Ų37.94%0.04221%0.207CC..PPolyproline II helixtrans-75.2126.9165.9-1800000109.7A47 E66 Y530A47-V58 HydrophobicContact CB-CG1 4.47Å; A47-V58 WeakPolarHBondContact O-CG2 3.44Å; V58-E66 HydrophobicContact CG1-CB 3.85Å; V58-E66 HydrophobicContact CG1-CG 4.41Å; V58-Y530 PolarHBondContact O-OH 3.17Å
59F95.2Very high89Confident0 Ų038.1 Ų38.10%021%0.205CC..EExtended strand (participates in β ladder)trans-95.8134.7173.9-167.8-96.6000110.3L61 V67 G72 E75 R478 Y530F59-L61 HydrophobicContact CD1-CD2 3.89Å; F59-L61 HydrophobicContact CE1-CD2 3.77Å; F59-V67 HydrophobicContact CB-CG2 4.08Å; F59-V67 HydrophobicContact CD1-CG2 4Å; F59-V67 PolarHBondContact N-O 2.7Å; F59-V67 WeakPolarHBondContact O-CG2 3.31Å; F59-V67 PolarHBondContact O-N 3.09Å; F59-G72 VanDerWaalsContact CZ-CA 3.43Å; F59-E75 WeakPolarHBondContact CE1-OE2 3.44Å; F59-E75 WeakPolarHBondContact CZ-OE2 3.4Å; F59-R478 VanDerWaalsContact CE1-NH1 3.29Å; F59-Y530 AromaticContact CD2-CD1 3.48Å; F59-Y530 HydrophobicContact CD2-CD1 3.48Å; F59-Y530 VanDerWaalsContact CD2-CD1 3.48Å; F59-Y530 AromaticContact CD2-CE1 3.93Å; F59-Y530 HydrophobicContact CD2-CE1 3.93Å; F59-Y530 HydrophobicContact CD2-CG 4.47Å; F59-Y530 AromaticContact CE2-CD1 3.58Å; F59-Y530 HydrophobicContact CE2-CD1 3.58Å; F59-Y530 HydrophobicContact CE2-CE1 4.46Å; F59-Y530 HydrophobicContact CE2-CG 4.27Å; F59-Y530 HydrophobicContact CG-CD1 4.23Å; F59-Y530 HydrophobicContact CG-CE1 4.47Å; F59-Y530 HydrophobicContact CZ-CD1 4.39Å
60V96.8Very high88.9Confident0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-105.9140.2-179179.50000110.3G65 V450 R478 R480 Y530V60-G65 CarbonylContact C-O 3.59Å; V60-G65 WeakPolarHBondContact CA-O 3.44Å; V60-V450 HydrophobicContact CG1-CG2 3.96Å; V60-R478 HydrophobicContact CG1-CB 4.45Å; V60-R478 WeakPolarHBondContact O-CD 3.47Å; V60-R478 VanDerWaalsContact O-CZ 3.29Å; V60-R478 PolarHBondContact O-NE 3.25Å; V60-R478 PolarHBondContact O-NH1 2.87Å; V60-R480 HydrophobicContact CG2-CB 3.97Å; V60-R480 HydrophobicContact CG2-CG 3.99Å; V60-Y530 HydrophobicContact CB-CD2 3.99Å; V60-Y530 HydrophobicContact CB-CE2 3.71Å; V60-Y530 HydrophobicContact CG2-CE2 3.77Å
61L97.4Very high89.2Confident0 Ų033.9 Ų33.90%018%0.18CC..  trans-103.4169.1177.5-59.4179.7000112.5F59 D63 G64 G65 V67 L71 L82 T83 G451F59-L61 HydrophobicContact CD1-CD2 3.89Å; F59-L61 HydrophobicContact CE1-CD2 3.77Å; L61-D63 VanDerWaalsContact C-N 3.27Å; L61-D63 PolarHBondContact O-N 3.23Å; L61-G64 PolarHBondContact O-N 2.92Å; L61-G64 VanDerWaalsContact O-N 3.1Å; L61-G65 PolarHBondContact N-O 2.99Å; L61-V67 HydrophobicContact CD1-CG1 3.81Å; L61-V67 HydrophobicContact CD1-CG2 4.03Å; L61-V67 HydrophobicContact CD2-CG2 4.15Å; L61-V67 HydrophobicContact CG-CG1 4.38Å; L61-V67 HydrophobicContact CG-CG2 3.88Å; L61-L71 HydrophobicContact CD1-CD2 3.86Å; L61-L71 HydrophobicContact CD2-CD2 4.37Å; L61-L82 HydrophobicContact CD1-CB 4.36Å; L61-L82 HydrophobicContact CD2-CB 4.1Å; L61-T83 VanDerWaalsContact CD1-O 3.25Å; L61-T83 WeakPolarHBondContact CD1-O 3.46Å; L61-G451 WeakPolarHBondContact O-CA 3.35Å
62D96.6Very high89.6Confident37 Ų3731.4 Ų31.420%0.19816%0.163CC..THydrogen-bonded Turntrans-61.3-35.9-176.1-79.318.2000112.4G64 K81 L452 R478D62-G64 PolarHBondContact O-N 2.84Å; D62-K81 IonicContact OD1-NZ 3.58Å; D62-K81 WeakPolarHBondContact OD2-CD 3.08Å; D62-K81 IonicContact OD2-NZ 3.11Å; D62-K81 PolarHBondContact OD2-NZ 3.34Å; D62-L452 HydrophobicContact CB-CB 4.07Å; D62-L452 WeakPolarHBondContact O-CB 3.07Å; D62-L452 PolarHBondContact O-N 3.01Å; D62-R478 IonicContact OD1-CZ 3.17Å; D62-R478 IonicContact OD1-NE 3.7Å; D62-R478 PolarHBondContact OD1-NE 2.99Å; D62-R478 IonicContact OD1-NH2 3.72Å; D62-R478 PolarHBondContact OD1-NH2 3.29Å
63D96Very high90.3Very high65 Ų6530.2 Ų30.235%0.34815%0.154SC..THydrogen-bonded Turntrans-859.4179.670.5-19.9000114.1L61 G65 T83 K84L61-D63 VanDerWaalsContact C-N 3.27Å; L61-D63 PolarHBondContact O-N 3.23Å; D63-G65 VanDerWaalsContact C-N 3.35Å; D63-G65 PolarHBondContact OD1-N 3.11Å; D63-T83 WeakPolarHBondContact OD2-CB 3.14Å; D63-K84 PolarHBondContact OD1-N 2.96Å; D63-K84 VanDerWaalsContact OD1-N 3.14Å; D63-K84 VanDerWaalsContact OD2-CG 3.26Å; D63-K84 WeakPolarHBondContact OD2-CG 3.47Å; D63-K84 PolarHBondContact OD2-N 3.15Å
64G95.7Very high91.3Very high15 Ų1525.8 Ų25.816%0.15513%0.134CC..  trans82.38.1-17900000114.6L61 D62 E66L61-G64 PolarHBondContact O-N 2.92Å; L61-G64 VanDerWaalsContact O-N 3.1Å; D62-G64 PolarHBondContact O-N 2.84Å; G64-E66 PolarHBondContact O-N 3.37Å
65G95.6Very high92.3Very high5 Ų518.9 Ų18.95%0.05210%0.102CC..  trans-59.4128.8171.400000112.3V60 L61 D63V60-G65 CarbonylContact C-O 3.59Å; V60-G65 WeakPolarHBondContact CA-O 3.44Å; L61-G65 PolarHBondContact N-O 2.99Å; D63-G65 VanDerWaalsContact C-N 3.35Å; D63-G65 PolarHBondContact OD1-N 3.11Å
66E95.8Very high93.2Very high33 Ų3315 Ų1515%0.1548%0.084CC..EExtended strand (participates in β ladder)trans-100.5106.2173.5-62.3-175.583.400108.9D46 A47 G48 V58 G64 M448 V450 R480D46-E66 WeakPolarHBondContact CB-O 3.2Å; A47-E66 PolarHBondContact N-O 3.38Å; G48-E66 VanDerWaalsContact CA-OE1 3.27Å; G48-E66 WeakPolarHBondContact CA-OE1 3.35Å; V58-E66 HydrophobicContact CG1-CB 3.85Å; V58-E66 HydrophobicContact CG1-CG 4.41Å; G64-E66 PolarHBondContact O-N 3.37Å; E66-M448 WeakPolarHBondContact OE2-CE 3.37Å; E66-V450 HydrophobicContact CG-CG2 4.39Å; E66-R480 IonicContact OE1-CZ 3.91Å; E66-R480 IonicContact OE1-NE 3.63Å; E66-R480 PolarHBondContact OE1-NE 3.21Å; E66-R480 IonicContact OE1-NH2 3.21Å; E66-R480 PolarHBondContact OE1-NH2 3.06Å
67V94.8Very high93.7Very high2 Ų215.3 Ų15.31%0.0128%0.083CC..EExtended strand (participates in β ladder)trans-126.1165.3-167.3-61.30000111.7A47 F59 L61 L71 N87A47-V67 VanDerWaalsContact CB-C 3.46Å; F59-V67 HydrophobicContact CB-CG2 4.08Å; F59-V67 HydrophobicContact CD1-CG2 4Å; F59-V67 PolarHBondContact N-O 2.7Å; F59-V67 WeakPolarHBondContact O-CG2 3.31Å; F59-V67 PolarHBondContact O-N 3.09Å; L61-V67 HydrophobicContact CD1-CG1 3.81Å; L61-V67 HydrophobicContact CD1-CG2 4.03Å; L61-V67 HydrophobicContact CD2-CG2 4.15Å; L61-V67 HydrophobicContact CG-CG1 4.38Å; L61-V67 HydrophobicContact CG-CG2 3.88Å; V67-L71 HydrophobicContact CB-CB 4.39Å; V67-L71 HydrophobicContact CB-CD2 4.06Å; V67-L71 HydrophobicContact CG1-CD2 4.11Å; V67-L71 HydrophobicContact CG2-CB 3.69Å; V67-L71 HydrophobicContact CG2-CD2 3.73Å; V67-L71 HydrophobicContact CG2-CG 4.31Å; V67-N87 HydrophobicContact CB-CB 4.29Å; V67-N87 HydrophobicContact CG1-CB 3.65Å
68D90.5Very high94Very high21 Ų2114.8 Ų14.811%0.1128%0.081CC..  trans-58.3146.5172.2-170.8-0.1000111D70 L71D68-D70 PolarHBondContact O-N 3.22Å; D68-D70 VanDerWaalsContact O-N 3.12Å; D68-L71 WeakPolarHBondContact O-CB 3.42Å; D68-L71 PolarHBondContact O-N 2.73Å
69L86.8Confident93.9Very high17 Ų1717.4 Ų17.49%0.08911%0.109CC..Hα-helixtrans-52.7-31.8178.8177.565.1000112.9L71 G72 A315L69-L71 PolarHBondContact O-N 3.45Å; L69-G72 PolarHBondContact O-N 3.4Å; L69-A315 HydrophobicContact CD1-CB 3.9Å; L69-A315 HydrophobicContact CD2-CB 3.34Å; L69-A315 HydrophobicContact CG-CB 4.24Å
70D86.1Confident93.9Very high50 Ų5017.6 Ų17.627%0.26711%0.111SC..Hα-helixtrans-57.9-30.9179.2-84.1-18.4000112.5D68 G72 N73D68-D70 PolarHBondContact O-N 3.22Å; D68-D70 VanDerWaalsContact O-N 3.12Å; D70-G72 VanDerWaalsContact C-N 3.27Å; D70-G72 PolarHBondContact O-N 2.91Å; D70-N73 WeakPolarHBondContact O-CB 3.1Å; D70-N73 PolarHBondContact O-N 2.71Å; D70-N73 VanDerWaalsContact O-N 3.07Å; D70-N73 PolarHBondContact OD1-ND2 2.73Å
71L93Very high93.8Very high1 Ų122.2 Ų22.21%0.00513%0.131CC..Hα-helixtrans-63.6-35.3175.4-124.475.6000112.5K38 L61 V67 D68 L69 N73 Y74 E75 L82 N87K38-L71 HydrophobicContact CB-CD1 3.12Å; K38-L71 HydrophobicContact CG-CD1 3.85Å; L61-L71 HydrophobicContact CD1-CD2 3.86Å; L61-L71 HydrophobicContact CD2-CD2 4.37Å; V67-L71 HydrophobicContact CB-CB 4.39Å; V67-L71 HydrophobicContact CB-CD2 4.06Å; V67-L71 HydrophobicContact CG1-CD2 4.11Å; V67-L71 HydrophobicContact CG2-CB 3.69Å; V67-L71 HydrophobicContact CG2-CD2 3.73Å; V67-L71 HydrophobicContact CG2-CG 4.31Å; D68-L71 WeakPolarHBondContact O-CB 3.42Å; D68-L71 PolarHBondContact O-N 2.73Å; L69-L71 PolarHBondContact O-N 3.45Å; L71-N73 PolarHBondContact O-N 3.25Å; L71-Y74 WeakPolarHBondContact O-CB 3.21Å; L71-Y74 PolarHBondContact O-N 3.09Å; L71-Y74 VanDerWaalsContact O-N 3.12Å; L71-E75 PolarHBondContact O-N 2.97Å; L71-L82 HydrophobicContact CD2-CB 4.46Å; L71-L82 HydrophobicContact CD2-CD1 4.01Å; L71-L82 HydrophobicContact CG-CD1 3.83Å; L71-N87 HydrophobicContact CD1-CB 4.34Å; L71-N87 HydrophobicContact CD2-CB 4.01Å
72G92.7Very high93.8Very high0 Ų022.3 Ų22.30%013%0.131CC..Hα-helixtrans-66.1-18.7175.900000113.3F59 L69 D70 R76F59-G72 VanDerWaalsContact CZ-CA 3.43Å; L69-G72 PolarHBondContact O-N 3.4Å; D70-G72 VanDerWaalsContact C-N 3.27Å; D70-G72 PolarHBondContact O-N 2.91Å; G72-R76 VanDerWaalsContact C-NH1 3.28Å; G72-R76 WeakPolarHBondContact O-CB 3.28Å; G72-R76 WeakPolarHBondContact O-CD 3.38Å; G72-R76 WeakPolarHBondContact O-CG 3.5Å; G72-R76 PolarHBondContact O-N 3.47Å; G72-R76 PolarHBondContact O-NH1 3.03Å; G72-R76 VanDerWaalsContact O-NH1 3.11Å
73N91.3Very high93.8Very high14 Ų1422.8 Ų22.88%0.07514%0.135CC..Hα-helixtrans-70.3-37.6172.6-64.8-36.3000111.2D70 L71 R76 F77 K319D70-N73 WeakPolarHBondContact O-CB 3.1Å; D70-N73 PolarHBondContact O-N 2.71Å; D70-N73 VanDerWaalsContact O-N 3.07Å; D70-N73 PolarHBondContact OD1-ND2 2.73Å; L71-N73 PolarHBondContact O-N 3.25Å; N73-R76 PolarHBondContact O-N 3.39Å; N73-F77 WeakPolarHBondContact O-CB 3.15Å; N73-F77 VanDerWaalsContact O-CD2 3.3Å; N73-F77 WeakPolarHBondContact O-CD2 3.2Å; N73-F77 PolarHBondContact O-N 3.03Å; N73-K319 PolarHBondContact OD1-NZ 3.33Å
74Y95.9Very high93.8Very high1 Ų124.3 Ų24.30%0.00414%0.139CC..Hα-helixtrans-66.3-46.8178-70.5-79.3000112.4A20 P36 L71 R76 F77 L78 E146A20-Y74 HydrophobicContact CB-CE1 3.97Å; A20-Y74 WeakPolarHBondContact CB-OH 3.13Å; P36-Y74 HydrophobicContact CB-CD1 3.34Å; P36-Y74 HydrophobicContact CB-CD2 4.28Å; P36-Y74 HydrophobicContact CB-CE1 3.7Å; P36-Y74 HydrophobicContact CB-CG 3.65Å; P36-Y74 HydrophobicContact CG-CD1 3.93Å; P36-Y74 HydrophobicContact CG-CG 3.92Å; L71-Y74 WeakPolarHBondContact O-CB 3.21Å; L71-Y74 PolarHBondContact O-N 3.09Å; L71-Y74 VanDerWaalsContact O-N 3.12Å; Y74-R76 VanDerWaalsContact C-N 3.29Å; Y74-R76 PolarHBondContact O-N 3.39Å; Y74-F77 PolarHBondContact O-N 2.83Å; Y74-L78 HydrophobicContact CD1-CD1 4.03Å; Y74-L78 VanDerWaalsContact O-CB 3.27Å; Y74-L78 WeakPolarHBondContact O-CB 3.4Å; Y74-L78 WeakPolarHBondContact O-CG 3.29Å; Y74-L78 PolarHBondContact O-N 2.96Å; Y74-E146 WeakPolarHBondContact CE2-OE2 3.38Å; Y74-E146 WeakPolarHBondContact OH-CB 3.34Å; Y74-E146 PolarHBondContact OH-OE2 3.48Å
75E95.8Very high93.9Very high11 Ų1125.8 Ų25.85%0.05114%0.142CC..Hα-helixtrans-60.3-41.1177.4-67.8-160.6148.700111.6F59 L71 G79 V80 K81 L82 R478F59-E75 WeakPolarHBondContact CE1-OE2 3.44Å; F59-E75 WeakPolarHBondContact CZ-OE2 3.4Å; L71-E75 PolarHBondContact O-N 2.97Å; E75-G79 WeakPolarHBondContact O-CA 3.49Å; E75-G79 PolarHBondContact O-N 3.19Å; E75-V80 WeakPolarHBondContact CG-O 3.39Å; E75-K81 WeakPolarHBondContact OE1-CA 2.92Å; E75-L82 HydrophobicContact CG-CB 4.42Å; E75-L82 HydrophobicContact CG-CD1 4.03Å; E75-L82 HydrophobicContact CG-CG 3.88Å; E75-L82 PolarHBondContact OE1-N 2.73Å; E75-R478 VanDerWaalsContact CD-NH2 3.3Å; E75-R478 IonicContact OE1-CZ 3.04Å; E75-R478 IonicContact OE1-NH1 2.73Å; E75-R478 IonicContact OE1-NH2 3.38Å; E75-R478 PolarHBondContact OE1-NH2 3.06Å; E75-R478 IonicContact OE2-CZ 3.09Å; E75-R478 VanDerWaalsContact OE2-CZ 3.24Å; E75-R478 IonicContact OE2-NH1 3.63Å; E75-R478 PolarHBondContact OE2-NH1 2.87Å; E75-R478 IonicContact OE2-NH2 3.89Å; E75-R478 PolarHBondContact OE2-NH2 3.49Å
76R94.9Very high94Very high11 Ų1125.7 Ų25.74%0.04214%0.14CC..Hα-helixtrans-65.7-40.3178.7-72.9175-169.6114.2-1.7113.6G72 N73 Y74 S316 S532 P534G72-R76 VanDerWaalsContact C-NH1 3.28Å; G72-R76 WeakPolarHBondContact O-CB 3.28Å; G72-R76 WeakPolarHBondContact O-CD 3.38Å; G72-R76 WeakPolarHBondContact O-CG 3.5Å; G72-R76 PolarHBondContact O-N 3.47Å; G72-R76 PolarHBondContact O-NH1 3.03Å; G72-R76 VanDerWaalsContact O-NH1 3.11Å; N73-R76 PolarHBondContact O-N 3.39Å; Y74-R76 VanDerWaalsContact C-N 3.29Å; Y74-R76 PolarHBondContact O-N 3.39Å; R76-S316 PolarHBondContact NH2-OG 3.24Å; R76-S532 WeakPolarHBondContact CG-O 3.4Å; R76-P534 WeakPolarHBondContact O-CD 3.16Å
77F94.7Very high94.1Very high12 Ų1224.1 Ų24.15%0.05313%0.133CC..Hα-helixtrans-82-40.1-177.2-86.7-121.9000112S21 V25 N73 Y74 I250 P254 W285S21-F77 VanDerWaalsContact OG-CD1 3.29Å; S21-F77 WeakPolarHBondContact OG-CD1 3.15Å; V25-F77 HydrophobicContact CG2-CB 3.99Å; V25-F77 HydrophobicContact CG2-CD1 4.02Å; V25-F77 HydrophobicContact CG2-CG 4.5Å; N73-F77 WeakPolarHBondContact O-CB 3.15Å; N73-F77 VanDerWaalsContact O-CD2 3.3Å; N73-F77 WeakPolarHBondContact O-CD2 3.2Å; N73-F77 PolarHBondContact O-N 3.03Å; Y74-F77 PolarHBondContact O-N 2.83Å; F77-I250 HydrophobicContact CE2-CD1 3.81Å; F77-I250 HydrophobicContact CE2-CG1 4.46Å; F77-I250 HydrophobicContact CZ-CB 4.31Å; F77-I250 HydrophobicContact CZ-CD1 3.69Å; F77-I250 HydrophobicContact CZ-CG1 3.91Å; F77-P254 HydrophobicContact CE1-CG 4.38Å; F77-W285 HydrophobicContact CB-CH2 4.04Å; F77-W285 HydrophobicContact CB-CZ2 4.42Å; F77-W285 AromaticContact CD1-CH2 3.31Å; F77-W285 HydrophobicContact CD1-CH2 3.31Å; F77-W285 HydrophobicContact CD1-CZ2 4.25Å; F77-W285 AromaticContact CD1-CZ3 3.76Å; F77-W285 HydrophobicContact CD1-CZ3 3.76Å; F77-W285 HydrophobicContact CD2-CH2 4.22Å; F77-W285 AromaticContact CE1-CH2 3.68Å; F77-W285 HydrophobicContact CE1-CH2 3.68Å; F77-W285 AromaticContact CE1-CZ3 3.63Å; F77-W285 HydrophobicContact CE1-CZ3 3.63Å; F77-W285 AromaticContact CG-CH2 3.61Å; F77-W285 HydrophobicContact CG-CH2 3.61Å; F77-W285 HydrophobicContact CG-CZ2 4.44Å; F77-W285 HydrophobicContact CG-CZ3 4.4Å; F77-W285 HydrophobicContact CZ-CH2 4.26Å; F77-W285 HydrophobicContact CZ-CZ3 4.17Å; F77-W285 WeakPolarHBondContact O-CZ2 3.41Å
78L94.5Very high94.2Very high9 Ų924 Ų245%0.04713%0.132CC..Hα-helixtrans-97.5-12.2-170.1-54.5179.6000113.4S21 V25 Q28 V34 P36 Y74 V80S21-L78 WeakPolarHBondContact O-CD2 3.42Å; V25-L78 HydrophobicContact CG2-CD2 3.96Å; V25-L78 VanDerWaalsContact N-CD2 3.31Å; Q28-L78 PolarHBondContact NE2-O 3.41Å; Q28-L78 PolarHBondContact OE1-O 2.84Å; V34-L78 HydrophobicContact CG1-CD1 4.11Å; P36-L78 HydrophobicContact CG-CD1 4.25Å; Y74-L78 HydrophobicContact CD1-CD1 4.03Å; Y74-L78 VanDerWaalsContact O-CB 3.27Å; Y74-L78 WeakPolarHBondContact O-CB 3.4Å; Y74-L78 WeakPolarHBondContact O-CG 3.29Å; Y74-L78 PolarHBondContact O-N 2.96Å; L78-V80 HydrophobicContact CB-CB 4.45Å; L78-V80 HydrophobicContact CB-CG1 3.87Å; L78-V80 HydrophobicContact CB-CG2 3.97Å; L78-V80 PolarHBondContact O-N 3.04Å
79G92.2Very high94.5Very high61 Ų6123 Ų2363%0.62913%0.127SC*.  trans62.724.8-174.400000113.1E75E75-G79 WeakPolarHBondContact O-CA 3.49Å; E75-G79 PolarHBondContact O-N 3.19Å
80V94.6Very high95Very high5 Ų522.6 Ų22.63%0.0313%0.125CC..  trans-95.1163.8177.6-60.20000110.9P36 E75 L78 L82 V133 D134P36-V80 HydrophobicContact CG-CG2 4.39Å; E75-V80 WeakPolarHBondContact CG-O 3.39Å; L78-V80 HydrophobicContact CB-CB 4.45Å; L78-V80 HydrophobicContact CB-CG1 3.87Å; L78-V80 HydrophobicContact CB-CG2 3.97Å; L78-V80 PolarHBondContact O-N 3.04Å; V80-L82 HydrophobicContact CG2-CD2 3.79Å; V80-L82 HydrophobicContact CG2-CG 4.17Å; V80-V133 HydrophobicContact CB-CB 4.29Å; V80-V133 HydrophobicContact CB-CG2 3.98Å; V80-V133 HydrophobicContact CG1-CG2 4Å; V80-D134 HydrophobicContact CG1-CB 4.49Å
81K95.2Very high95.6Very high97 Ų9720.7 Ų20.742%0.42212%0.117SC..  trans-117.5113.4174.9-64.3-139.7178.5-174.70110.3D62 E75 V133D62-K81 IonicContact OD1-NZ 3.58Å; D62-K81 WeakPolarHBondContact OD2-CD 3.08Å; D62-K81 IonicContact OD2-NZ 3.11Å; D62-K81 PolarHBondContact OD2-NZ 3.34Å; E75-K81 WeakPolarHBondContact OE1-CA 2.92Å; K81-V133 PolarHBondContact N-O 2.91Å; K81-V133 WeakPolarHBondContact O-CB 3.36Å
82L97.1Very high95.8Very high2 Ų221.9 Ų21.91%0.0112%0.122CC..  trans-93.8162.2-175.6-56179.6000111.6P36 L61 L71 E75 V80 N86 V133P36-L82 HydrophobicContact CG-CD1 3.81Å; P36-L82 HydrophobicContact CG-CD2 3.5Å; P36-L82 VanDerWaalsContact CG-CD2 3.5Å; P36-L82 HydrophobicContact CG-CG 4.27Å; L61-L82 HydrophobicContact CD1-CB 4.36Å; L61-L82 HydrophobicContact CD2-CB 4.1Å; L71-L82 HydrophobicContact CD2-CB 4.46Å; L71-L82 HydrophobicContact CD2-CD1 4.01Å; L71-L82 HydrophobicContact CG-CD1 3.83Å; E75-L82 HydrophobicContact CG-CB 4.42Å; E75-L82 HydrophobicContact CG-CD1 4.03Å; E75-L82 HydrophobicContact CG-CG 3.88Å; E75-L82 PolarHBondContact OE1-N 2.73Å; V80-L82 HydrophobicContact CG2-CD2 3.79Å; V80-L82 HydrophobicContact CG2-CG 4.17Å; L82-N86 HydrophobicContact CB-CB 4.18Å; L82-N86 HydrophobicContact CD2-CB 4.36Å; L82-V133 HydrophobicContact CD2-CB 4.34Å; L82-V133 HydrophobicContact CD2-CG1 4.22Å
83T96.5Very high96Very high47 Ų4722 Ų2229%0.28812%0.123SC..  trans-118.5164.5176.166.20000109.7L61 D63 E85 N86L61-T83 VanDerWaalsContact CD1-O 3.25Å; L61-T83 WeakPolarHBondContact CD1-O 3.46Å; D63-T83 WeakPolarHBondContact OD2-CB 3.14Å; T83-E85 PolarHBondContact O-N 3.31Å; T83-N86 PolarHBondContact N-OD1 3.23Å; T83-N86 WeakPolarHBondContact O-CB 3.38Å; T83-N86 PolarHBondContact O-N 3.47Å; T83-N86 PolarHBondContact O-OD1 3.37Å; T83-N86 PolarHBondContact OG1-OD1 3.12Å
84K96.5Very high96.3Very high96 Ų9625 Ų2542%0.41713%0.134SC..G310 helixtrans-56.9-18.3176.475.2-165.8173.2-177.70113.9D63 K92D63-K84 PolarHBondContact OD1-N 2.96Å; D63-K84 VanDerWaalsContact OD1-N 3.14Å; D63-K84 VanDerWaalsContact OD2-CG 3.26Å; D63-K84 WeakPolarHBondContact OD2-CG 3.47Å; D63-K84 PolarHBondContact OD2-N 3.15Å; K84-K92 PolarHBondContact O-NZ 3.07Å
85E96.8Very high96.4Very high47 Ų4729.6 Ų29.622%0.2216%0.156CC..G310 helixtrans-80.1-19.9179.2-54.8-65.7143.700112.1T83 N87 W124 V128T83-E85 PolarHBondContact O-N 3.31Å; E85-N87 PolarHBondContact O-N 2.9Å; E85-W124 PolarHBondContact O-NE1 2.74Å; E85-W124 WeakPolarHBondContact OE2-CH2 3.34Å; E85-W124 WeakPolarHBondContact OE2-CZ2 3.44Å; E85-V128 HydrophobicContact CB-CG2 3.97Å
86N97.9Very high96.5Very high3 Ų329.6 Ų29.62%0.01616%0.156CC..G310 helixtrans-75.2-8.4172-64.492.9000112.9P36 I37 K38 L82 T83P36-N86 PolarHBondContact O-ND2 3.36Å; I37-N86 CarbonylContact C-O 3.56Å; I37-N86 WeakPolarHBondContact CA-O 3.42Å; K38-N86 PolarHBondContact N-O 2.99Å; L82-N86 HydrophobicContact CB-CB 4.18Å; L82-N86 HydrophobicContact CD2-CB 4.36Å; T83-N86 PolarHBondContact N-OD1 3.23Å; T83-N86 WeakPolarHBondContact O-CB 3.38Å; T83-N86 PolarHBondContact O-N 3.47Å; T83-N86 PolarHBondContact O-OD1 3.37Å; T83-N86 PolarHBondContact OG1-OD1 3.12Å
87N97.5Very high96.7Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-110.7120.4172.4176.9-105.4000109.5K38 D40 V67 L71 E85 T89 K92K38-N87 WeakPolarHBondContact O-CA 3.37Å; D40-N87 PolarHBondContact OD2-ND2 3.02Å; V67-N87 HydrophobicContact CB-CB 4.29Å; V67-N87 HydrophobicContact CG1-CB 3.65Å; L71-N87 HydrophobicContact CD1-CB 4.34Å; L71-N87 HydrophobicContact CD2-CB 4.01Å; E85-N87 PolarHBondContact O-N 2.9Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.29Å; N87-K92 PolarHBondContact O-NZ 3.28Å
88I97.4Very high96.8Very high0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-109.6127.5177.4-57.5175.5000107.4I37 K38 I39 D40 I93 W124 V125 F159I37-I88 HydrophobicContact CG2-CD1 3.67Å; I37-I88 HydrophobicContact CG2-CG1 4.05Å; K38-I88 PolarHBondContact O-N 3.24Å; I39-I88 CarbonylContact C-O 3.5Å; I39-I88 WeakPolarHBondContact CA-O 3.42Å; I39-I88 HydrophobicContact CG1-CB 4.1Å; I39-I88 HydrophobicContact CG1-CD1 4.25Å; D40-I88 PolarHBondContact N-O 2.96Å; I88-I93 HydrophobicContact CG2-CD1 3.88Å; I88-I93 HydrophobicContact CG2-CG1 3.7Å; I88-W124 HydrophobicContact CD1-CB 4.44Å; I88-W124 VanDerWaalsContact CD1-CD1 3.47Å; I88-W124 HydrophobicContact CD1-CG 4.01Å; I88-W124 HydrophobicContact CG1-CG 4.27Å; I88-V125 HydrophobicContact CD1-CG2 3.81Å; I88-F159 HydrophobicContact CG2-CE1 4.03Å
89T97.3Very high97Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-117.5157.8173.370.10000110.2D40 Y42 N44 I45 N87 G91 K92 I93D40-T89 HydrophobicContact CB-CG2 4.15Å; D40-T89 VanDerWaalsContact O-CA 3.3Å; D40-T89 WeakPolarHBondContact O-CA 3.25Å; Y42-T89 HydrophobicContact CD2-CG2 4.38Å; Y42-T89 HydrophobicContact CE2-CG2 3.55Å; N44-T89 WeakPolarHBondContact O-CB 3.3Å; N44-T89 PolarHBondContact O-OG1 3.13Å; I45-T89 WeakPolarHBondContact O-CG2 3.21Å; I45-T89 PolarHBondContact O-OG1 2.69Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.29Å; T89-G91 VanDerWaalsContact C-N 3.26Å; T89-G91 PolarHBondContact O-N 2.88Å; T89-K92 PolarHBondContact O-N 2.82Å; T89-K92 VanDerWaalsContact OG1-CB 3.25Å; T89-K92 WeakPolarHBondContact OG1-CB 3.18Å; T89-K92 PolarHBondContact OG1-N 3.06Å; T89-I93 PolarHBondContact O-N 3.45Å
90T97.5Very high97.2Very high8 Ų841.4 Ų41.45%0.04919%0.188CC..Hα-helixtrans-57.5-44.1173-55.70000110.4D40 P41 Y42 L43 K92 I93 Y94 F159D40-T90 PolarHBondContact O-N 3.34Å; P41-T90 VanDerWaalsContact C-OG1 3.26Å; P41-T90 PolarHBondContact O-OG1 2.79Å; Y42-T90 VanDerWaalsContact O-CB 3.31Å; Y42-T90 WeakPolarHBondContact O-CB 3.49Å; Y42-T90 PolarHBondContact O-N 2.75Å; L43-T90 HydrophobicContact CD2-CG2 3.77Å; T90-K92 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 3.4Å; T90-I93 PolarHBondContact O-N 2.74Å; T90-Y94 HydrophobicContact CG2-CD2 3.7Å; T90-Y94 HydrophobicContact CG2-CE2 3.51Å; T90-Y94 HydrophobicContact CG2-CG 4.46Å; T90-Y94 WeakPolarHBondContact O-CB 3.33Å; T90-Y94 WeakPolarHBondContact O-CD2 3.3Å; T90-Y94 PolarHBondContact O-N 2.57Å; T90-F159 WeakPolarHBondContact OG1-CE2 3.36Å
91G97.4Very high97.4Very high10 Ų1045.1 Ų45.110%0.10321%0.206CC..Hα-helixtrans-58.2-42.3177.800000113.7L43 T89 Y94 M95L43-G91 WeakPolarHBondContact O-CA 3.45Å; L43-G91 PolarHBondContact O-N 2.99Å; T89-G91 VanDerWaalsContact C-N 3.26Å; T89-G91 PolarHBondContact O-N 2.88Å; G91-Y94 PolarHBondContact O-N 3.02Å; G91-M95 WeakPolarHBondContact O-CB 3.36Å; G91-M95 PolarHBondContact O-N 3.24Å
92K97.2Very high97.5Very high25 Ų2549.9 Ų49.911%0.10922%0.221CC..Hα-helixtrans-64.5-44.9-179.3-169.4176-64.2172.40111.8I45 K84 N87 T89 T90 D96 W124I45-K92 WeakPolarHBondContact O-CE 3.29Å; K84-K92 PolarHBondContact O-NZ 3.07Å; N87-K92 PolarHBondContact O-NZ 3.28Å; T89-K92 PolarHBondContact O-N 2.82Å; T89-K92 VanDerWaalsContact OG1-CB 3.25Å; T89-K92 WeakPolarHBondContact OG1-CB 3.18Å; T89-K92 PolarHBondContact OG1-N 3.06Å; T90-K92 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 3.4Å; K92-D96 PolarHBondContact O-N 3.44Å; K92-D96 VanDerWaalsContact O-N 3.09Å; K92-W124 HydrophobicContact CD-CH2 3.47Å; K92-W124 VanDerWaalsContact CD-CH2 3.47Å; K92-W124 HydrophobicContact CD-CZ2 3.56Å; K92-W124 HydrophobicContact CD-CZ3 4.42Å; K92-W124 HydrophobicContact CG-CH2 3.69Å; K92-W124 HydrophobicContact CG-CZ2 4.28Å; K92-W124 HydrophobicContact CG-CZ3 4.25Å
93I98.2Very high97.5Very high2 Ų256 Ų561%0.0125%0.249CC..Hα-helixtrans-66.2-46.3177.5-63.2-60.7000111.2I88 T89 T90 M95 D96 V97 I117 A120 I121 W124I88-I93 HydrophobicContact CG2-CD1 3.88Å; I88-I93 HydrophobicContact CG2-CG1 3.7Å; T89-I93 PolarHBondContact O-N 3.45Å; T90-I93 PolarHBondContact O-N 2.74Å; I93-M95 PolarHBondContact O-N 3.34Å; I93-D96 PolarHBondContact O-N 3.45Å; I93-V97 WeakPolarHBondContact O-CG2 3.2Å; I93-V97 PolarHBondContact O-N 2.59Å; I93-I117 HydrophobicContact CG2-CD1 4.24Å; I93-I117 HydrophobicContact CG2-CG2 3.89Å; I93-A120 HydrophobicContact CG2-CB 4.12Å; I93-I121 HydrophobicContact CD1-CG1 4.24Å; I93-I121 HydrophobicContact CG1-CG1 4.03Å; I93-I121 HydrophobicContact CG2-CG1 4.09Å; I93-W124 HydrophobicContact CD1-CD2 4.25Å; I93-W124 HydrophobicContact CD1-CE3 3.81Å; I93-W124 HydrophobicContact CD1-CZ3 4.42Å
94Y98Very high97.5Very high79 Ų7955.6 Ų55.631%0.3126%0.255SS..Hα-helixtrans-64.3-42.8-178.3-83.2-125.3000111T90 G91 D96 V97 I98 I117T90-Y94 HydrophobicContact CG2-CD2 3.7Å; T90-Y94 HydrophobicContact CG2-CE2 3.51Å; T90-Y94 HydrophobicContact CG2-CG 4.46Å; T90-Y94 WeakPolarHBondContact O-CB 3.33Å; T90-Y94 WeakPolarHBondContact O-CD2 3.3Å; T90-Y94 PolarHBondContact O-N 2.57Å; G91-Y94 PolarHBondContact O-N 3.02Å; Y94-D96 VanDerWaalsContact C-N 3.34Å; Y94-D96 PolarHBondContact O-N 2.94Å; Y94-V97 PolarHBondContact O-N 3.24Å; Y94-I98 WeakPolarHBondContact O-CB 3.49Å; Y94-I98 WeakPolarHBondContact O-CD1 3.41Å; Y94-I98 WeakPolarHBondContact O-CG1 3.45Å; Y94-I98 PolarHBondContact O-N 2.95Å; Y94-I117 HydrophobicContact CD2-CD1 3.9Å; Y94-I117 HydrophobicContact CE2-CD1 3.98Å; Y94-I117 HydrophobicContact CE2-CG1 4.42Å; Y94-I117 HydrophobicContact CE2-CG2 3.99Å; Y94-I117 HydrophobicContact CG-CD1 4.25Å
95M97.6Very high97.5Very high97 Ų9754.5 Ų54.548%0.47826%0.259SS..Hα-helixtrans-60.1-43.2175.3-178.1171.862.500112I45 G91 I93 R99I45-M95 HydrophobicContact CD1-CE 3.88Å; I45-M95 HydrophobicContact CD1-SD 3.62Å; I45-M95 HydrophobicContact CG1-CE 4.23Å; I45-M95 HydrophobicContact CG1-SD 4.44Å; I45-M95 HydrophobicContact CG2-CE 3.77Å; G91-M95 WeakPolarHBondContact O-CB 3.36Å; G91-M95 PolarHBondContact O-N 3.24Å; I93-M95 PolarHBondContact O-N 3.34Å; M95-R99 VanDerWaalsContact O-CB 3.27Å; M95-R99 WeakPolarHBondContact O-CB 3.48Å; M95-R99 PolarHBondContact O-N 2.93Å
96D97.4Very high97.5Very high10 Ų1054.5 Ų54.55%0.05326%0.257CS..Hα-helixtrans-64.7-46.1178.2-176.245.8000112.1K92 I93 Y94 R99 R100K92-D96 PolarHBondContact O-N 3.44Å; K92-D96 VanDerWaalsContact O-N 3.09Å; I93-D96 PolarHBondContact O-N 3.45Å; Y94-D96 VanDerWaalsContact C-N 3.34Å; Y94-D96 PolarHBondContact O-N 2.94Å; D96-R99 PolarHBondContact O-N 3.4Å; D96-R99 IonicContact OD1-CZ 3.24Å; D96-R99 IonicContact OD1-NE 3.7Å; D96-R99 IonicContact OD1-NH2 2.9Å; D96-R99 PolarHBondContact OD1-NH2 3.4Å; D96-R100 VanDerWaalsContact O-CG 3.32Å; D96-R100 WeakPolarHBondContact O-CG 3.1Å; D96-R100 PolarHBondContact O-N 3.4Å; D96-R100 IonicContact OD1-CZ 2.78Å; D96-R100 IonicContact OD1-NE 3.75Å; D96-R100 PolarHBondContact OD1-NE 3.02Å; D96-R100 IonicContact OD1-NH2 3.95Å; D96-R100 IonicContact OD2-CZ 3.77Å; D96-R100 IonicContact OD2-NE 2.7Å; D96-R100 PolarHBondContact OD2-NE 3.11Å; D96-R100 IonicContact OD2-NH2 3.06Å; D96-R100 PolarHBondContact OD2-NH2 3.06Å
97V98.3Very high97.4Very high5 Ų561.8 Ų61.83%0.0330%0.295CS..Hα-helixtrans-64.5-44.1178.8169.90000111.7I93 Y94 R99 R100 E101 Y106 V111 I117 A120I93-V97 WeakPolarHBondContact O-CG2 3.2Å; I93-V97 PolarHBondContact O-N 2.59Å; Y94-V97 PolarHBondContact O-N 3.24Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.27Å; V97-R100 PolarHBondContact O-N 2.91Å; V97-E101 PolarHBondContact O-N 3.21Å; V97-Y106 HydrophobicContact CG1-CE2 4.36Å; V97-V111 HydrophobicContact CG1-CG1 3.59Å; V97-I117 HydrophobicContact CB-CD1 3.93Å; V97-I117 HydrophobicContact CG1-CD1 4Å; V97-I117 HydrophobicContact CG2-CD1 3.9Å; V97-A120 HydrophobicContact CG2-CB 3.66Å
98I98.1Very high97.2Very high103 Ų10365.6 Ų65.653%0.52833%0.334SS..Hα-helixtrans-60.8-43.4175.4-68.6165.5000110.4Y94 R100 E101 R102Y94-I98 WeakPolarHBondContact O-CB 3.49Å; Y94-I98 WeakPolarHBondContact O-CD1 3.41Å; Y94-I98 WeakPolarHBondContact O-CG1 3.45Å; Y94-I98 PolarHBondContact O-N 2.95Å; I98-R100 PolarHBondContact O-N 3.5Å; I98-E101 WeakPolarHBondContact O-CB 3.06Å; I98-E101 PolarHBondContact O-N 2.83Å; I98-R102 WeakPolarHBondContact O-CG 3.2Å; I98-R102 PolarHBondContact O-N 3.46Å; I98-R102 VanDerWaalsContact O-N 3.11Å
99R97.8Very high97.1Very high144 Ų14472.9 Ų72.954%0.54337%0.366SS..Hα-helixtrans-61.1-45177-179.5-178.364-176.1-1.1111.9M95 D96 V97 E101 R102 Q103M95-R99 VanDerWaalsContact O-CB 3.27Å; M95-R99 WeakPolarHBondContact O-CB 3.48Å; M95-R99 PolarHBondContact O-N 2.93Å; D96-R99 PolarHBondContact O-N 3.4Å; D96-R99 IonicContact OD1-CZ 3.24Å; D96-R99 IonicContact OD1-NE 3.7Å; D96-R99 IonicContact OD1-NH2 2.9Å; D96-R99 PolarHBondContact OD1-NH2 3.4Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.27Å; R99-E101 VanDerWaalsContact C-N 3.31Å; R99-E101 PolarHBondContact O-N 3.39Å; R99-R102 PolarHBondContact O-N 3.42Å; R99-Q103 WeakPolarHBondContact O-CG 3.28Å; R99-Q103 PolarHBondContact O-N 3.07Å; R99-Q103 VanDerWaalsContact O-N 3.12Å
100R97.7Very high97.1Very high89 Ų8978.2 Ų78.234%0.33640%0.399SS..Hα-helixtrans-64.3-35.8178.1-71.6177.7-166.8-157.27.6112.1D96 V97 I98 Q103 G104 C105 Y106D96-R100 VanDerWaalsContact O-CG 3.32Å; D96-R100 WeakPolarHBondContact O-CG 3.1Å; D96-R100 PolarHBondContact O-N 3.4Å; D96-R100 IonicContact OD1-CZ 2.78Å; D96-R100 IonicContact OD1-NE 3.75Å; D96-R100 PolarHBondContact OD1-NE 3.02Å; D96-R100 IonicContact OD1-NH2 3.95Å; D96-R100 IonicContact OD2-CZ 3.77Å; D96-R100 IonicContact OD2-NE 2.7Å; D96-R100 PolarHBondContact OD2-NE 3.11Å; D96-R100 IonicContact OD2-NH2 3.06Å; D96-R100 PolarHBondContact OD2-NH2 3.06Å; V97-R100 PolarHBondContact O-N 2.91Å; I98-R100 PolarHBondContact O-N 3.5Å; R100-Q103 PolarHBondContact O-N 2.87Å; R100-G104 PolarHBondContact O-N 3.38Å; R100-C105 HydrophobicContact CB-CB 4.01Å; R100-C105 VanDerWaalsContact O-CB 3.26Å; R100-C105 WeakPolarHBondContact O-CB 3.46Å; R100-C105 PolarHBondContact O-N 2.95Å; R100-C105 PolarHBondContact O-SG 3.35Å; R100-Y106 HydrophobicContact CB-CE2 3.77Å
101E97.7Very high97.1Very high84 Ų8479.9 Ų79.939%0.39341%0.409SS..Hα-helixtrans-60.2-50.3173.3176.6-85.4153.900111.4V97 I98 R99 Q103 G104 Y106 V111V97-E101 PolarHBondContact O-N 3.21Å; I98-E101 WeakPolarHBondContact O-CB 3.06Å; I98-E101 PolarHBondContact O-N 2.83Å; R99-E101 VanDerWaalsContact C-N 3.31Å; R99-E101 PolarHBondContact O-N 3.39Å; E101-Q103 PolarHBondContact O-N 3.38Å; E101-G104 PolarHBondContact O-N 3.17Å; E101-Y106 HydrophobicContact CB-CD2 3.96Å; E101-Y106 HydrophobicContact CB-CE2 4.1Å; E101-V111 HydrophobicContact CB-CG2 4.2Å; E101-V111 HydrophobicContact CG-CG2 4.03Å
102R97Very high97.1Very high197 Ų19785.2 Ų85.274%0.74343%0.431SS*.Hα-helixtrans-62.8-26177-64.2-57.3-60.6174.5-1.9114.2I98 R99 G104I98-R102 WeakPolarHBondContact O-CG 3.2Å; I98-R102 PolarHBondContact O-N 3.46Å; I98-R102 VanDerWaalsContact O-N 3.11Å; R99-R102 PolarHBondContact O-N 3.42Å; R102-G104 VanDerWaalsContact C-N 3.27Å
103Q97.4Very high97.1Very high129 Ų12987.2 Ų87.260%0.60345%0.445SS*.THydrogen-bonded Turntrans-81.2-4.5175-71.5172.9-12.300113.3R99 R100 E101R99-Q103 WeakPolarHBondContact O-CG 3.28Å; R99-Q103 PolarHBondContact O-N 3.07Å; R99-Q103 VanDerWaalsContact O-N 3.12Å; R100-Q103 PolarHBondContact O-N 2.87Å; E101-Q103 PolarHBondContact O-N 3.38Å
104G96.6Very high97.1Very high40 Ų4090.2 Ų90.241%0.41246%0.464SS..THydrogen-bonded Turntrans79.214.9-179.100000114.2R100 E101 R102 Y106 L107R100-G104 PolarHBondContact O-N 3.38Å; E101-G104 PolarHBondContact O-N 3.17Å; R102-G104 VanDerWaalsContact C-N 3.27Å; G104-Y106 PolarHBondContact O-N 3.14Å; G104-Y106 VanDerWaalsContact O-N 3.14Å; G104-L107 PolarHBondContact O-N 2.7Å; G104-L107 VanDerWaalsContact O-N 3.09Å
105C97Very high97.1Very high73 Ų7389 Ų8949%0.49347%0.465SS..THydrogen-bonded Turntrans-63.5-21.5-176.4-63.30000113.6R100R100-C105 HydrophobicContact CB-CB 4.01Å; R100-C105 VanDerWaalsContact O-CB 3.26Å; R100-C105 WeakPolarHBondContact O-CB 3.46Å; R100-C105 PolarHBondContact O-N 2.95Å; R100-C105 PolarHBondContact O-SG 3.35Å
106Y97Very high97.1Very high46 Ų4685.9 Ų85.918%0.1845%0.45CS..THydrogen-bonded Turntrans-97.814.5178.7-54.8-69.9000113.6V97 R100 E101 G104 G108 K109 V111 H116V97-Y106 HydrophobicContact CG1-CE2 4.36Å; R100-Y106 HydrophobicContact CB-CE2 3.77Å; E101-Y106 HydrophobicContact CB-CD2 3.96Å; E101-Y106 HydrophobicContact CB-CE2 4.1Å; G104-Y106 PolarHBondContact O-N 3.14Å; G104-Y106 VanDerWaalsContact O-N 3.14Å; Y106-G108 PolarHBondContact O-N 3.32Å; Y106-G108 VanDerWaalsContact O-N 3.15Å; Y106-K109 WeakPolarHBondContact O-CB 3.31Å; Y106-K109 PolarHBondContact O-N 3.5Å; Y106-V111 HydrophobicContact CD2-CG2 3.37Å; Y106-V111 HydrophobicContact CE2-CG1 4.42Å; Y106-V111 HydrophobicContact CE2-CG2 3.92Å; Y106-V111 HydrophobicContact CG-CG2 3.75Å; Y106-H116 AromaticContact CD1-CD2 3.65Å; Y106-H116 AromaticContact CE1-CD2 3.74Å
107L95.8Very high97.1Very high156 Ų15685.9 Ų85.982%0.81745%0.449SS*.THydrogen-bonded Turntrans54.434.6175.9-54.4176.1000113.7G104 K109G104-L107 PolarHBondContact O-N 2.7Å; G104-L107 VanDerWaalsContact O-N 3.09Å; L107-K109 PolarHBondContact O-N 3.28Å
108G92.9Very high97.1Very high80 Ų8085.7 Ų85.783%0.82545%0.448SS*.THydrogen-bonded Turntrans72.56.7-179.400000115.4Y106Y106-G108 PolarHBondContact O-N 3.32Å; Y106-G108 VanDerWaalsContact O-N 3.15Å
109K95.6Very high97.2Very high153 Ų15383.8 Ų83.867%0.66544%0.439SS*.PPolyproline II helixtrans-71.2151.4172.5-63.7-175.3-179.7-179.90111Y106 L107 V111Y106-K109 WeakPolarHBondContact O-CB 3.31Å; Y106-K109 PolarHBondContact O-N 3.5Å; L107-K109 PolarHBondContact O-N 3.28Å; K109-V111 PolarHBondContact O-N 2.93Å
110T96.6Very high97.2Very high113 Ų11377.3 Ų77.369%0.69342%0.416SS*.PPolyproline II helixtrans-61.7127.9171.8-52.10000110.3E112 H116T110-E112 HydrophobicContact CG2-CG 4.38Å; T110-H116 PolarHBondContact O-CE1 3.44Å; T110-H116 VanDerWaalsContact O-CE1 3.26Å
111V97Very high97.2Very high43 Ų4373.1 Ų73.126%0.26140%0.4SS..PPolyproline II helixtrans-92.7135.5176.2-176.80000109V97 E101 Y106 K109 H116V97-V111 HydrophobicContact CG1-CG1 3.59Å; E101-V111 HydrophobicContact CB-CG2 4.2Å; E101-V111 HydrophobicContact CG-CG2 4.03Å; Y106-V111 HydrophobicContact CD2-CG2 3.37Å; Y106-V111 HydrophobicContact CE2-CG1 4.42Å; Y106-V111 HydrophobicContact CE2-CG2 3.92Å; Y106-V111 HydrophobicContact CG-CG2 3.75Å; K109-V111 PolarHBondContact O-N 2.93Å; V111-H116 HydrophobicContact CG1-CB 3.6Å
112E97.8Very high97.3Very high122 Ų12269.4 Ų69.457%0.5738%0.383SS*.  trans-136.5164.9-173.9-66.4-174.5146.700110.3T110 V114 H116T110-E112 HydrophobicContact CG2-CG 4.38Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 WeakPolarHBondContact CB-O 3.47Å; E112-V114 PolarHBondContact O-N 3.14Å; E112-H116 PolarHBondContact N-ND1 2.97Å; E112-H116 VanDerWaalsContact O-CB 3.3Å; E112-H116 WeakPolarHBondContact O-CB 3.29Å; E112-H116 PolarHBondContact O-N 3.26Å; E112-H116 PolarHBondContact O-ND1 2.96Å
113V97.8Very high97.3Very high66 Ų6663.2 Ų63.240%0.437%0.365SS..Iπ-helixtrans-58.6-44.3175.8178.80000110.8I117 T118 P158V113-I117 HydrophobicContact CG1-CB 4.31Å; V113-I117 VanDerWaalsContact O-CB 3.29Å; V113-I117 WeakPolarHBondContact O-CB 3.42Å; V113-I117 PolarHBondContact O-N 2.98Å; V113-I117 VanDerWaalsContact O-N 3.08Å; V113-T118 PolarHBondContact O-N 2.72Å; V113-P158 HydrophobicContact CG1-CB 4.2Å; V113-P158 HydrophobicContact CG1-CG 4.37Å
114V97.9Very high97.4Very high66 Ų6658.7 Ų58.740%0.434%0.342SS..Iπ-helixtrans-112.5126.7172.6-177.50000108.2E112 T118 E161E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 WeakPolarHBondContact CB-O 3.47Å; E112-V114 PolarHBondContact O-N 3.14Å; V114-T118 HydrophobicContact CG2-CG2 4.05Å; V114-E161 HydrophobicContact CG2-CG 3.91Å
115P97.1Very high97.5Very high54 Ų5456.8 Ų56.835%0.35132%0.323SS..Iπ-helixcis-92.3-7.11.937.3-36.9000114I117 T118 D119P115-I117 PolarHBondContact O-N 3.1Å; P115-T118 VanDerWaalsContact C-OG1 3.31Å; P115-T118 VanDerWaalsContact CA-OG1 3.32Å; P115-T118 WeakPolarHBondContact CA-OG1 3.44Å; P115-T118 CarbonylContact O-C 3.59Å; P115-T118 PolarHBondContact O-N 2.69Å; P115-T118 PolarHBondContact O-OG1 3.24Å; P115-D119 VanDerWaalsContact O-CB 3.22Å; P115-D119 WeakPolarHBondContact O-CB 3.1Å; P115-D119 PolarHBondContact O-N 3.03Å
116H98.2Very high97.5Very high31 Ų3154 Ų5414%0.14431%0.305CS..Iπ-helixtrans-68.7-40.3-160.9-49.583.7000114.5Y106 T110 V111 E112 A120Y106-H116 AromaticContact CD1-CD2 3.65Å; Y106-H116 AromaticContact CE1-CD2 3.74Å; T110-H116 PolarHBondContact O-CE1 3.44Å; T110-H116 VanDerWaalsContact O-CE1 3.26Å; V111-H116 HydrophobicContact CG1-CB 3.6Å; E112-H116 PolarHBondContact N-ND1 2.97Å; E112-H116 VanDerWaalsContact O-CB 3.3Å; E112-H116 WeakPolarHBondContact O-CB 3.29Å; E112-H116 PolarHBondContact O-N 3.26Å; E112-H116 PolarHBondContact O-ND1 2.96Å; H116-A120 WeakPolarHBondContact O-CB 2.92Å; H116-A120 PolarHBondContact O-N 2.93Å
117I98.4Very high97.5Very high10 Ų1057.1 Ų57.15%0.05132%0.321CS..Iπ-helixtrans-71.8-42.3174-61.5-71.8000109.6I93 Y94 V97 V113 P115 D119 A120 I121 P158I93-I117 HydrophobicContact CG2-CD1 4.24Å; I93-I117 HydrophobicContact CG2-CG2 3.89Å; Y94-I117 HydrophobicContact CD2-CD1 3.9Å; Y94-I117 HydrophobicContact CE2-CD1 3.98Å; Y94-I117 HydrophobicContact CE2-CG1 4.42Å; Y94-I117 HydrophobicContact CE2-CG2 3.99Å; Y94-I117 HydrophobicContact CG-CD1 4.25Å; V97-I117 HydrophobicContact CB-CD1 3.93Å; V97-I117 HydrophobicContact CG1-CD1 4Å; V97-I117 HydrophobicContact CG2-CD1 3.9Å; V113-I117 HydrophobicContact CG1-CB 4.31Å; V113-I117 VanDerWaalsContact O-CB 3.29Å; V113-I117 WeakPolarHBondContact O-CB 3.42Å; V113-I117 PolarHBondContact O-N 2.98Å; V113-I117 VanDerWaalsContact O-N 3.08Å; P115-I117 PolarHBondContact O-N 3.1Å; I117-D119 PolarHBondContact O-N 3.4Å; I117-A120 PolarHBondContact O-N 2.79Å; I117-I121 HydrophobicContact CG2-CD1 3.94Å; I117-I121 WeakPolarHBondContact O-CG1 3.4Å; I117-I121 PolarHBondContact O-N 3.36Å; I117-P158 HydrophobicContact CG2-CB 4.27Å
118T98.5Very high97.6Very high0 Ų049.8 Ų49.80%028%0.283CS..Hα-helixtrans-65.4-37.1-179.853.10000112.8V113 V114 P115 Q122 E161 A162 Q165V113-T118 PolarHBondContact O-N 2.72Å; V114-T118 HydrophobicContact CG2-CG2 4.05Å; P115-T118 VanDerWaalsContact C-OG1 3.31Å; P115-T118 VanDerWaalsContact CA-OG1 3.32Å; P115-T118 WeakPolarHBondContact CA-OG1 3.44Å; P115-T118 CarbonylContact O-C 3.59Å; P115-T118 PolarHBondContact O-N 2.69Å; P115-T118 PolarHBondContact O-OG1 3.24Å; T118-Q122 WeakPolarHBondContact O-CG 3.49Å; T118-Q122 PolarHBondContact O-N 2.8Å; T118-Q122 PolarHBondContact O-NE2 3.24Å; T118-Q122 VanDerWaalsContact O-NE2 3.13Å; T118-E161 HydrophobicContact CG2-CB 4.27Å; T118-E161 HydrophobicContact CG2-CG 3.96Å; T118-A162 HydrophobicContact CG2-CB 4.07Å; T118-Q165 PolarHBondContact OG1-OE1 3.16Å
119D98.3Very high97.9Very high64 Ų6446 Ų4634%0.34224%0.243SC..Hα-helixtrans-68.8-42.8176-74.1-10.5000110.4P115 I117 I121 Q122 D123P115-D119 VanDerWaalsContact O-CB 3.22Å; P115-D119 WeakPolarHBondContact O-CB 3.1Å; P115-D119 PolarHBondContact O-N 3.03Å; I117-D119 PolarHBondContact O-N 3.4Å; D119-I121 VanDerWaalsContact C-N 3.32Å; D119-I121 PolarHBondContact O-N 2.93Å; D119-Q122 PolarHBondContact O-N 3.12Å; D119-D123 WeakPolarHBondContact O-CB 3.35Å; D119-D123 PolarHBondContact O-N 3.31Å
120A98.4Very high97.9Very high8 Ų844.6 Ų44.67%0.06624%0.238CC..Hα-helixtrans-58.9-42.8175.500000111.9I93 V97 H116 I117 W124I93-A120 HydrophobicContact CG2-CB 4.12Å; V97-A120 HydrophobicContact CG2-CB 3.66Å; H116-A120 WeakPolarHBondContact O-CB 2.92Å; H116-A120 PolarHBondContact O-N 2.93Å; I117-A120 PolarHBondContact O-N 2.79Å; A120-W124 VanDerWaalsContact O-CB 3.29Å; A120-W124 WeakPolarHBondContact O-CB 3.39Å; A120-W124 PolarHBondContact O-N 3.29Å
121I98.6Very high97.9Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-62-48.3174.8-67.3161000110.8I93 I117 D119 W124 V125 F159 A162I93-I121 HydrophobicContact CD1-CG1 4.24Å; I93-I121 HydrophobicContact CG1-CG1 4.03Å; I93-I121 HydrophobicContact CG2-CG1 4.09Å; I117-I121 HydrophobicContact CG2-CD1 3.94Å; I117-I121 WeakPolarHBondContact O-CG1 3.4Å; I117-I121 PolarHBondContact O-N 3.36Å; D119-I121 VanDerWaalsContact C-N 3.32Å; D119-I121 PolarHBondContact O-N 2.93Å; I121-W124 PolarHBondContact O-N 2.88Å; I121-V125 WeakPolarHBondContact O-CG2 3.48Å; I121-V125 PolarHBondContact O-N 3.38Å; I121-F159 HydrophobicContact CD1-CD1 3.58Å; I121-F159 HydrophobicContact CD1-CE1 3.79Å; I121-F159 HydrophobicContact CD1-CG 4.3Å; I121-F159 HydrophobicContact CG1-CD1 4.07Å; I121-F159 HydrophobicContact CG1-CE1 4.01Å; I121-F159 HydrophobicContact CG2-CD1 4.1Å; I121-A162 HydrophobicContact CB-CB 3.88Å; I121-A162 HydrophobicContact CD1-CB 3.99Å; I121-A162 HydrophobicContact CG2-CB 3.73Å
122Q98.6Very high97.9Very high6 Ų644.4 Ų44.43%0.02823%0.228CC..Hα-helixtrans-63.5-43.7-178.2-72.7174.870.200112.5T118 D119 V125 A126 A162 F166T118-Q122 WeakPolarHBondContact O-CG 3.49Å; T118-Q122 PolarHBondContact O-N 2.8Å; T118-Q122 PolarHBondContact O-NE2 3.24Å; T118-Q122 VanDerWaalsContact O-NE2 3.13Å; D119-Q122 PolarHBondContact O-N 3.12Å; Q122-V125 PolarHBondContact O-N 3.48Å; Q122-A126 VanDerWaalsContact O-CB 3.29Å; Q122-A126 WeakPolarHBondContact O-CB 3.4Å; Q122-A126 PolarHBondContact O-N 3.46Å; Q122-A162 HydrophobicContact CG-CB 4.41Å; Q122-F166 HydrophobicContact CB-CD2 3.82Å; Q122-F166 HydrophobicContact CB-CE2 4.28Å; Q122-F166 HydrophobicContact CG-CB 3.99Å; Q122-F166 HydrophobicContact CG-CD2 3.68Å; Q122-F166 HydrophobicContact CG-CG 4.22Å
123D98.2Very high97.8Very high67 Ų6739.1 Ų39.136%0.35820%0.204SC..Hα-helixtrans-63.9-43.7178.2-74.2-16000110.9D119 V125 A126 E127 R169D119-D123 WeakPolarHBondContact O-CB 3.35Å; D119-D123 PolarHBondContact O-N 3.31Å; D123-V125 PolarHBondContact O-N 3.16Å; D123-A126 PolarHBondContact O-N 2.79Å; D123-E127 WeakPolarHBondContact O-CB 3.28Å; D123-E127 PolarHBondContact O-N 2.78Å; D123-R169 IonicContact OD1-CZ 2.71Å; D123-R169 IonicContact OD1-NH1 3.22Å; D123-R169 PolarHBondContact OD1-NH1 3.13Å; D123-R169 IonicContact OD1-NH2 3.83Å; D123-R169 PolarHBondContact OD1-NH2 2.82Å
124W98.3Very high97.6Very high34 Ų3439 Ų3913%0.12920%0.201CC..Hα-helixtrans-57-52.6176-165.5-63000111.7E85 I88 K92 I93 A120 I121 A126 E127 V128E85-W124 PolarHBondContact O-NE1 2.74Å; E85-W124 WeakPolarHBondContact OE2-CH2 3.34Å; E85-W124 WeakPolarHBondContact OE2-CZ2 3.44Å; I88-W124 HydrophobicContact CD1-CB 4.44Å; I88-W124 VanDerWaalsContact CD1-CD1 3.47Å; I88-W124 HydrophobicContact CD1-CG 4.01Å; I88-W124 HydrophobicContact CG1-CG 4.27Å; K92-W124 HydrophobicContact CD-CH2 3.47Å; K92-W124 VanDerWaalsContact CD-CH2 3.47Å; K92-W124 HydrophobicContact CD-CZ2 3.56Å; K92-W124 HydrophobicContact CD-CZ3 4.42Å; K92-W124 HydrophobicContact CG-CH2 3.69Å; K92-W124 HydrophobicContact CG-CZ2 4.28Å; K92-W124 HydrophobicContact CG-CZ3 4.25Å; I93-W124 HydrophobicContact CD1-CD2 4.25Å; I93-W124 HydrophobicContact CD1-CE3 3.81Å; I93-W124 HydrophobicContact CD1-CZ3 4.42Å; A120-W124 VanDerWaalsContact O-CB 3.29Å; A120-W124 WeakPolarHBondContact O-CB 3.39Å; A120-W124 PolarHBondContact O-N 3.29Å; I121-W124 PolarHBondContact O-N 2.88Å; W124-A126 VanDerWaalsContact C-N 3.35Å; W124-A126 PolarHBondContact O-N 2.86Å; W124-E127 PolarHBondContact O-N 2.85Å; W124-V128 WeakPolarHBondContact O-CB 3.48Å; W124-V128 WeakPolarHBondContact O-CG2 3.23Å; W124-V128 PolarHBondContact O-N 2.93Å
125V98.5Very high97.2Very high0 Ų039.5 Ų39.50%022%0.22CC..Hα-helixtrans-60.1-45.9179.3168.70000110.8Y3 I37 I88 I121 Q122 D123 E127 A129 I145 F163 F166Y3-V125 HydrophobicContact CD1-CG1 4.27Å; Y3-V125 HydrophobicContact CE1-CG1 4.02Å; I37-V125 HydrophobicContact CD1-CG1 4.32Å; I88-V125 HydrophobicContact CD1-CG2 3.81Å; I121-V125 WeakPolarHBondContact O-CG2 3.48Å; I121-V125 PolarHBondContact O-N 3.38Å; Q122-V125 PolarHBondContact O-N 3.48Å; D123-V125 PolarHBondContact O-N 3.16Å; V125-E127 VanDerWaalsContact C-N 3.28Å; V125-E127 PolarHBondContact O-N 3.49Å; V125-A129 WeakPolarHBondContact O-CB 3.37Å; V125-A129 PolarHBondContact O-N 2.76Å; V125-I145 HydrophobicContact CG1-CD1 3.56Å; V125-I145 HydrophobicContact CG1-CG1 4.38Å; V125-F163 HydrophobicContact CG2-CE1 4.3Å; V125-F163 HydrophobicContact CG2-CZ 4.12Å; V125-F166 HydrophobicContact CG1-CE1 4.18Å; V125-F166 HydrophobicContact CG1-CZ 4.03Å
126A98Very high97Very high15 Ų1539.9 Ų39.912%0.12422%0.224CC..Hα-helixtrans-66.1-29-178.300000113.4Q122 D123 W124 K130 F166Q122-A126 VanDerWaalsContact O-CB 3.29Å; Q122-A126 WeakPolarHBondContact O-CB 3.4Å; Q122-A126 PolarHBondContact O-N 3.46Å; D123-A126 PolarHBondContact O-N 2.79Å; W124-A126 VanDerWaalsContact C-N 3.35Å; W124-A126 PolarHBondContact O-N 2.86Å; A126-K130 WeakPolarHBondContact O-CD 3.25Å; A126-K130 WeakPolarHBondContact O-CE 3.45Å; A126-F166 HydrophobicContact CB-CE2 4.26Å; A126-F166 HydrophobicContact CB-CZ 4.44Å
127E97.5Very high96.8Very high111 Ų11141.1 Ų41.152%0.51925%0.245SC..Hα-helixtrans-79.6-54176.1-170.4-176.7157.200111.5D123 W124 V125 A129 K130 R131D123-E127 WeakPolarHBondContact O-CB 3.28Å; D123-E127 PolarHBondContact O-N 2.78Å; W124-E127 PolarHBondContact O-N 2.85Å; V125-E127 VanDerWaalsContact C-N 3.28Å; V125-E127 PolarHBondContact O-N 3.49Å; E127-A129 VanDerWaalsContact C-N 3.29Å; E127-A129 PolarHBondContact O-N 2.92Å; E127-K130 PolarHBondContact O-N 2.88Å; E127-K130 VanDerWaalsContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 2.76Å; E127-R131 IonicContact OE1-NE 3.58Å; E127-R131 IonicContact OE1-NH2 3.57Å; E127-R131 PolarHBondContact OE1-NH2 3.29Å
128V97.6Very high96.6Very high2 Ų245.7 Ų45.71%0.01227%0.267CS..Hα-helixtrans-64.2-35.9-175.91750000111.4I37 E85 W124 K130 R131I37-V128 HydrophobicContact CD1-CB 3.97Å; I37-V128 HydrophobicContact CD1-CG1 3.88Å; I37-V128 HydrophobicContact CG1-CG1 4.09Å; E85-V128 HydrophobicContact CB-CG2 3.97Å; W124-V128 WeakPolarHBondContact O-CB 3.48Å; W124-V128 WeakPolarHBondContact O-CG2 3.23Å; W124-V128 PolarHBondContact O-N 2.93Å; V128-K130 PolarHBondContact O-N 2.9Å; V128-R131 WeakPolarHBondContact O-CB 2.88Å; V128-R131 PolarHBondContact O-N 2.79Å
129A98Very high96.5Very high0 Ų049 Ų490%029%0.289CS..THydrogen-bonded Turntrans-58-22.8177.100000113.6M1 Y3 V35 V125 E127 C143M1-A129 HydrophobicContact CE-CB 4.37Å; M1-A129 WeakPolarHBondContact CE-O 3.4Å; M1-A129 HydrophobicContact CG-CB 4.09Å; M1-A129 HydrophobicContact SD-CB 4.17Å; Y3-A129 HydrophobicContact CE1-CB 3.69Å; V35-A129 HydrophobicContact CG1-CB 4.46Å; V35-A129 WeakPolarHBondContact CG1-O 3.48Å; V125-A129 WeakPolarHBondContact O-CB 3.37Å; V125-A129 PolarHBondContact O-N 2.76Å; E127-A129 VanDerWaalsContact C-N 3.29Å; E127-A129 PolarHBondContact O-N 2.92Å; A129-C143 HydrophobicContact CB-CB 3.71Å
130K97.3Very high96.4Very high125 Ų12546.4 Ų46.454%0.54328%0.276SS..THydrogen-bonded Turntrans-87.1-13.3-179.7-62.8168.6-173.8163.40113.2M1 A126 E127 V128M1-K130 HydrophobicContact CE-CG 4.45Å; A126-K130 WeakPolarHBondContact O-CD 3.25Å; A126-K130 WeakPolarHBondContact O-CE 3.45Å; E127-K130 PolarHBondContact O-N 2.88Å; E127-K130 VanDerWaalsContact O-N 3.11Å; V128-K130 PolarHBondContact O-N 2.9Å
131R96.5Very high96.4Very high87 Ų8748 Ų4833%0.32828%0.283SS..SBendtrans-78.7131.8-173.7-61.3-178.3-1761721.5110E127 V128 P140E127-R131 IonicContact OE1-CZ 2.76Å; E127-R131 IonicContact OE1-NE 3.58Å; E127-R131 IonicContact OE1-NH2 3.57Å; E127-R131 PolarHBondContact OE1-NH2 3.29Å; V128-R131 WeakPolarHBondContact O-CB 2.88Å; V128-R131 PolarHBondContact O-N 2.79Å; R131-P140 WeakPolarHBondContact O-CG 3.03Å
132P96.6Very high96.3Very high65 Ų6548.1 Ų48.142%0.42228%0.283SS..  trans-66.7139.1176.426.7-33.1000110.8M138P132-M138 WeakPolarHBondContact CB-O 3.45Å
133V96Very high96.3Very high10 Ų1047.8 Ų47.86%0.06128%0.282CS..  trans-129.4-3.7179.3-64.80000113.5V35 V80 K81 L82V35-V133 HydrophobicContact CB-CG2 4.03Å; V35-V133 HydrophobicContact CG2-CG1 3.87Å; V35-V133 HydrophobicContact CG2-CG2 4.01Å; V80-V133 HydrophobicContact CB-CB 4.29Å; V80-V133 HydrophobicContact CB-CG2 3.98Å; V80-V133 HydrophobicContact CG1-CG2 4Å; K81-V133 PolarHBondContact N-O 2.91Å; K81-V133 WeakPolarHBondContact O-CB 3.36Å; L82-V133 HydrophobicContact CD2-CB 4.34Å; L82-V133 HydrophobicContact CD2-CG1 4.22Å
134D92.9Very high96.3Very high63 Ų6344.6 Ų44.634%0.33727%0.265SS..SBendtrans-103.75.7-175.264.9-1000113.4R33 V80 S136R33-D134 WeakPolarHBondContact CD-OD2 2.99Å; R33-D134 WeakPolarHBondContact CG-OD2 3.48Å; V80-D134 HydrophobicContact CG1-CB 4.49Å; D134-S136 VanDerWaalsContact CG-OG 3.3Å; D134-S136 PolarHBondContact O-N 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.43Å; D134-S136 PolarHBondContact OD1-N 2.72Å; D134-S136 PolarHBondContact OD1-OG 2.87Å; D134-S136 PolarHBondContact OD2-OG 2.87Å
135G90.4Very high96.3Very high78 Ų7843 Ų4380%0.80426%0.259SS*.SBendtrans76.9-3-176.800000115.2G137G135-G137 VanDerWaalsContact C-N 3.26Å; G135-G137 PolarHBondContact O-N 2.92Å
136S92.2Very high96.3Very high61 Ų6143 Ų4343%0.42726%0.259SS..SBendtrans-73.1-17.9178.970.60000113.7D134 M138D134-S136 VanDerWaalsContact CG-OG 3.3Å; D134-S136 PolarHBondContact O-N 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.43Å; D134-S136 PolarHBondContact OD1-N 2.72Å; D134-S136 PolarHBondContact OD1-OG 2.87Å; D134-S136 PolarHBondContact OD2-OG 2.87Å; S136-M138 PolarHBondContact O-N 3.03Å; S136-M138 WeakPolarHBondContact OG-CB 3.36Å; S136-M138 PolarHBondContact OG-N 3.21Å; S136-M138 VanDerWaalsContact OG-N 3.13Å
137G93.9Very high96.2Very high57 Ų5742.4 Ų42.459%0.58825%0.254SS*.  trans71.50.9-17100000114.1G135G135-G137 VanDerWaalsContact C-N 3.26Å; G135-G137 PolarHBondContact O-N 2.92Å
138M94.8Very high96Very high107 Ų10737.2 Ų37.253%0.52723%0.23SC..SBendtrans-96.9145.2-177.4-65.6-66.4-70.800111.7P132 S136P132-M138 WeakPolarHBondContact CB-O 3.45Å; S136-M138 PolarHBondContact O-N 3.03Å; S136-M138 WeakPolarHBondContact OG-CB 3.36Å; S136-M138 PolarHBondContact OG-N 3.21Å; S136-M138 VanDerWaalsContact OG-N 3.13Å
139P95.3Very high95.8Very high69 Ų6938.3 Ų38.345%0.44824%0.242SC..PPolyproline II helixtrans-62.5142.9177.625.7-33.7000111.4R33R33-P139 PolarHBondContact NE-O 3.48Å; R33-P139 PolarHBondContact NH2-O 2.81Å; R33-P139 VanDerWaalsContact NH2-O 3.16Å
140P97.5Very high95.5Very high10 Ų1039.5 Ų39.57%0.06525%0.249CC..PPolyproline II helixtrans-61.9155173.6-22.433.7000112.9M1 V35 R131M1-P140 HydrophobicContact CE-CB 4.2Å; M1-P140 WeakPolarHBondContact CE-O 3.41Å; V35-P140 HydrophobicContact CB-CB 3.98Å; V35-P140 HydrophobicContact CB-CG 3.66Å; V35-P140 HydrophobicContact CG1-CB 3.65Å; V35-P140 HydrophobicContact CG1-CG 3.64Å; R131-P140 WeakPolarHBondContact O-CG 3.03Å
141D96.5Very high95.4Very high42 Ų4234.3 Ų34.323%0.22523%0.227CC..SBendtrans-89.3-41.7174.3-59.3-60.8000111K2 L32 R33K2-D141 PolarHBondContact N-O 3.36Å; L32-D141 HydrophobicContact CB-CB 4.3Å; L32-D141 HydrophobicContact CD2-CB 4.11Å; R33-D141 IonicContact CZ-OD1 3.89Å; R33-D141 IonicContact CZ-OD2 3.98Å; R33-D141 PolarHBondContact N-OD2 2.83Å; R33-D141 IonicContact NE-OD2 2.91Å; R33-D141 IonicContact NH1-OD2 2.63Å; R33-D141 PolarHBondContact NH1-OD2 3.33Å; R33-D141 VanDerWaalsContact NH1-OD2 3.09Å; R33-D141 IonicContact NH2-OD1 2.73Å; R33-D141 PolarHBondContact NH2-OD1 3.13Å; R33-D141 IonicContact NH2-OD2 3.2Å; R33-D141 PolarHBondContact NH2-OD2 3.39Å; R33-D141 PolarHBondContact O-N 3.23Å
142I97.6Very high95.2Very high1 Ų131.6 Ų31.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-125.2134.3-177.6-52.6-165.2000110.4K2 I4 V27 L32 R33 V34 V35 I144 L272K2-I142 HydrophobicContact CB-CG1 4.26Å; K2-I142 CarbonylContact O-C 3.56Å; K2-I142 WeakPolarHBondContact O-CA 3.44Å; I4-I142 HydrophobicContact CD1-CG2 3.8Å; I4-I142 HydrophobicContact CG1-CG2 3.85Å; V27-I142 HydrophobicContact CG1-CB 4.46Å; V27-I142 HydrophobicContact CG1-CD1 3.65Å; V27-I142 HydrophobicContact CG1-CG1 4.21Å; V27-I142 HydrophobicContact CG2-CD1 4.18Å; L32-I142 HydrophobicContact CD1-CD1 3.9Å; L32-I142 HydrophobicContact CD1-CG1 4.33Å; R33-I142 PolarHBondContact O-N 3.49Å; R33-I142 VanDerWaalsContact O-N 3.12Å; V34-I142 WeakPolarHBondContact CA-O 3.48Å; V35-I142 PolarHBondContact N-O 3.45Å; I142-I144 HydrophobicContact CG2-CG1 4.38Å; I142-L272 HydrophobicContact CD1-CD1 3.45Å; I142-L272 VanDerWaalsContact CD1-CD1 3.45Å; I142-L272 HydrophobicContact CG1-CD1 4.09Å
143C98.4Very high95.1Very high0 Ų031.4 Ų31.40%022%0.221CC..EExtended strand (participates in β ladder)trans-102.6122.6165.6179.40000110.3M1 K2 Y3 I4 V35 A129M1-C143 HydrophobicContact SD-CB 4.09Å; K2-C143 PolarHBondContact O-N 3.15Å; Y3-C143 CarbonylContact C-O 3.13Å; Y3-C143 WeakPolarHBondContact CA-O 3.32Å; Y3-C143 HydrophobicContact CD1-CB 3.73Å; Y3-C143 HydrophobicContact CE1-CB 4.03Å; I4-C143 PolarHBondContact N-O 3.38Å; V35-C143 HydrophobicContact CG1-CB 3.76Å; V35-C143 CarbonylContact O-C 3.59Å; V35-C143 WeakPolarHBondContact O-CA 3.42Å; A129-C143 HydrophobicContact CB-CB 3.71Å
144I98.3Very high95Very high0 Ų037.3 Ų37.30%025%0.251CS..EExtended strand (participates in β ladder)trans-96.2118.8172.4-61.7178.8000107.5I4 V6 A20 I23 G24 V34 V35 P36 I37 I142I4-I144 HydrophobicContact CB-CG1 4.45Å; I4-I144 HydrophobicContact CD1-CG1 4.5Å; V6-I144 HydrophobicContact CG2-CG2 4.19Å; A20-I144 HydrophobicContact CB-CG2 3.97Å; I23-I144 HydrophobicContact CB-CD1 4.29Å; I23-I144 HydrophobicContact CG2-CD1 3.88Å; G24-I144 VanDerWaalsContact N-CD1 3.31Å; V34-I144 HydrophobicContact CG1-CD1 3.68Å; V34-I144 HydrophobicContact CG1-CG1 3.94Å; V35-I144 PolarHBondContact O-N 2.99Å; P36-I144 CarbonylContact C-O 3.57Å; P36-I144 VanDerWaalsContact CA-O 3.26Å; P36-I144 WeakPolarHBondContact CA-O 3.47Å; I37-I144 PolarHBondContact N-O 3.31Å; I142-I144 HydrophobicContact CG2-CG1 4.38Å
145I98.4Very high95.1Very high0 Ų039.6 Ų39.60%026%0.26CS..EExtended strand (participates in β ladder)trans-109.2117.7-178.3-54.8167.5000107.4Y3 I4 L5 V6 I37 I39 V125 F163Y3-I145 HydrophobicContact CD1-CD1 3.95Å; I4-I145 PolarHBondContact O-N 3.4Å; L5-I145 CarbonylContact C-O 3.58Å; L5-I145 WeakPolarHBondContact CA-O 3.47Å; L5-I145 HydrophobicContact CD1-CB 4.02Å; L5-I145 HydrophobicContact CD1-CG2 3.76Å; V6-I145 PolarHBondContact N-O 3.39Å; I37-I145 CarbonylContact O-C 3.57Å; I37-I145 VanDerWaalsContact O-CA 3.3Å; I37-I145 WeakPolarHBondContact O-CA 3.19Å; I39-I145 HydrophobicContact CD1-CG2 3.79Å; I39-I145 HydrophobicContact CG1-CG2 4.4Å; V125-I145 HydrophobicContact CG1-CD1 3.56Å; V125-I145 HydrophobicContact CG1-CG1 4.38Å; I145-F163 HydrophobicContact CD1-CE1 3.73Å; I145-F163 HydrophobicContact CD1-CZ 4.18Å; I145-F163 HydrophobicContact CG2-CE1 4.32Å; I145-F163 HydrophobicContact CG2-CE2 4.3Å; I145-F163 HydrophobicContact CG2-CZ 3.71Å
146E97.7Very high95.3Very high0 Ų035.9 Ų35.90%022%0.222CC..EExtended strand (participates in β ladder)trans-98.5116.3171.2177.2-176.1177.600110.3K16 G17 I37 K38 I39 Y74 G148K16-E146 HydrophobicContact CB-CG 4.22Å; K16-E146 WeakPolarHBondContact CB-OE1 3.26Å; G17-E146 VanDerWaalsContact CA-OE2 3.32Å; G17-E146 WeakPolarHBondContact CA-OE2 3.21Å; G17-E146 PolarHBondContact N-OE1 3.18Å; I37-E146 PolarHBondContact O-N 3Å; K38-E146 HydrophobicContact CD-CB 3.76Å; K38-E146 HydrophobicContact CD-CG 3.62Å; K38-E146 WeakPolarHBondContact CD-OE2 3.33Å; K38-E146 VanDerWaalsContact CE-OE1 3.3Å; K38-E146 WeakPolarHBondContact CE-OE1 3.43Å; I39-E146 PolarHBondContact N-O 2.94Å; Y74-E146 WeakPolarHBondContact CE2-OE2 3.38Å; Y74-E146 WeakPolarHBondContact OH-CB 3.34Å; Y74-E146 PolarHBondContact OH-OE2 3.48Å; E146-G148 PolarHBondContact O-N 2.89Å
147L96.8Very high95.5Very high3 Ų337.4 Ų37.42%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-83.4107168.3-176.457.8000109.5L5 V6 T7 K16 I39 I151 F159 V160L5-L147 HydrophobicContact CD1-CB 4.21Å; V6-L147 PolarHBondContact O-N 2.88Å; T7-L147 HydrophobicContact CG2-CB 4.33Å; T7-L147 HydrophobicContact CG2-CD2 4.23Å; K16-L147 WeakPolarHBondContact CD-O 3.29Å; K16-L147 VanDerWaalsContact CE-O 3.28Å; K16-L147 WeakPolarHBondContact CE-O 3.28Å; I39-L147 HydrophobicContact CB-CD1 4.02Å; I39-L147 HydrophobicContact CD1-CD1 4.44Å; I39-L147 HydrophobicContact CG2-CD1 3.65Å; L147-I151 HydrophobicContact CD2-CD1 4.03Å; L147-F159 HydrophobicContact CD1-CB 3.62Å; L147-F159 HydrophobicContact CD1-CD2 4.4Å; L147-F159 HydrophobicContact CD1-CG 4.07Å; L147-V160 HydrophobicContact CD2-CG2 3.72Å
148G94Very high95.6Very high2 Ų235.6 Ų35.62%0.02120%0.201CC..  trans-60.8168.1172.100000113I39 E146I39-G148 WeakPolarHBondContact O-CA 3.43Å; I39-G148 PolarHBondContact O-N 2.99Å; E146-G148 PolarHBondContact O-N 2.89Å
149G91.8Very high95.8Very high25 Ų2530.6 Ų30.626%0.25818%0.176SC..SBendtrans72.6-161.5-175.200000113.5K16K16-G149 PolarHBondContact NZ-O 2.63Å
150T93.6Very high95.9Very high24 Ų2427.3 Ų27.315%0.14716%0.155CC..  trans-118.3147.3175.135.40000110.8G9 G152 D153 S156G9-T150 VanDerWaalsContact O-CB 3.29Å; G9-T150 WeakPolarHBondContact O-CB 3.31Å; G9-T150 WeakPolarHBondContact O-CG2 3.16Å; T150-G152 PolarHBondContact O-N 3.02Å; T150-D153 PolarHBondContact N-OD2 3.35Å; T150-D153 PolarHBondContact O-N 2.92Å; T150-D153 PolarHBondContact OG1-OD2 3.11Å; T150-S156 PolarHBondContact O-OG 3.41Å
151I94.4Very high96Very high16 Ų1629.1 Ų29.18%0.08216%0.163CC..THydrogen-bonded Turntrans-67.8130.3175.1-69.8-69.6000109T7 G8 L147 V160 E203 L204T7-I151 HydrophobicContact CG2-CD1 4.19Å; G8-I151 WeakPolarHBondContact O-CB 3.33Å; G8-I151 VanDerWaalsContact O-CG1 3.28Å; G8-I151 WeakPolarHBondContact O-CG1 3.3Å; G8-I151 PolarHBondContact O-N 2.91Å; L147-I151 HydrophobicContact CD2-CD1 4.03Å; I151-V160 HydrophobicContact CD1-CG2 3.51Å; I151-E203 HydrophobicContact CG2-CB 4.28Å; I151-E203 HydrophobicContact CG2-CG 3.8Å; I151-L204 HydrophobicContact CD1-CD1 3.79Å; I151-L204 HydrophobicContact CG1-CD1 4.05Å; I151-L204 HydrophobicContact CG2-CB 4.27Å; I151-L204 HydrophobicContact CG2-CD1 4.36Å
152G92.1Very high96.1Very high30 Ų3027.1 Ų27.131%0.30915%0.152SC..THydrogen-bonded Turntrans110.3-15.8-177.300000113.4T150T150-G152 PolarHBondContact O-N 3.02Å
153D93.5Very high96.1Very high62 Ų6227.1 Ų27.133%0.33215%0.152SC..  trans-74.5144.9176.2-61.7-25.1000111.2T150 E155 S156 M157T150-D153 PolarHBondContact N-OD2 3.35Å; T150-D153 PolarHBondContact O-N 2.92Å; T150-D153 PolarHBondContact OG1-OD2 3.11Å; D153-E155 PolarHBondContact O-N 2.88Å; D153-S156 PolarHBondContact O-N 2.92Å; D153-S156 PolarHBondContact O-OG 2.97Å; D153-M157 PolarHBondContact O-N 2.79Å
154I95.8Very high96.1Very high133 Ų13330.9 Ų30.968%0.68217%0.166SC*.G310 helixtrans-58.7-39.7-178.4-64.5173000110.6S156 M157I154-S156 PolarHBondContact O-N 3.04Å; I154-M157 HydrophobicContact CG1-CE 4.2Å; I154-M157 WeakPolarHBondContact O-CB 3.4Å; I154-M157 PolarHBondContact O-N 2.95Å
155E94.7Very high96.1Very high111 Ų11132.6 Ų32.652%0.51917%0.174SC..G310 helixtrans-64-27.5-178.9-57.288.9155.900112.1P41 D153P41-E155 HydrophobicContact CB-CB 3.81Å; D153-E155 PolarHBondContact O-N 2.88Å
156S93.2Very high96.1Very high1 Ų132.6 Ų32.61%0.00717%0.174CC..G310 helixtrans-85.4-20.7179.875.50000113.7T150 D153 I154 F159 V160T150-S156 PolarHBondContact O-OG 3.41Å; D153-S156 PolarHBondContact O-N 2.92Å; D153-S156 PolarHBondContact O-OG 2.97Å; I154-S156 PolarHBondContact O-N 3.04Å; S156-F159 PolarHBondContact O-N 2.95Å; S156-V160 PolarHBondContact O-N 2.73Å
157M96.4Very high96Very high93 Ų9334.4 Ų34.446%0.45818%0.183SC..Hα-helixtrans-54.6-44.9-171.7-65.4-179.8177.500113.8D153 I154 F159 V160 E161D153-M157 PolarHBondContact O-N 2.79Å; I154-M157 HydrophobicContact CG1-CE 4.2Å; I154-M157 WeakPolarHBondContact O-CB 3.4Å; I154-M157 PolarHBondContact O-N 2.95Å; M157-F159 VanDerWaalsContact C-N 3.29Å; M157-F159 PolarHBondContact O-N 3.3Å; M157-V160 PolarHBondContact O-N 2.89Å; M157-E161 WeakPolarHBondContact O-CB 3.46Å; M157-E161 PolarHBondContact O-N 2.86Å
158P97.7Very high96Very high18 Ų1841.2 Ų41.212%0.11721%0.212CC..Hα-helixtrans-62.6-35.9178.6-22.134.5000112.9V113 I117 A162V113-P158 HydrophobicContact CG1-CB 4.2Å; V113-P158 HydrophobicContact CG1-CG 4.37Å; I117-P158 HydrophobicContact CG2-CB 4.27Å; P158-A162 WeakPolarHBondContact O-CB 3.15Å; P158-A162 PolarHBondContact O-N 2.88Å
159F98.2Very high96.2Very high3 Ų347.5 Ų47.51%0.01324%0.235CC..Hα-helixtrans-74.2-42.6179.9-62.8-75.6000111.9I39 P41 I88 T90 I121 L147 S156 M157 E161 A162 F163I39-F159 HydrophobicContact CD1-CD1 4.18Å; I39-F159 HydrophobicContact CG2-CB 4.49Å; I39-F159 HydrophobicContact CG2-CD1 3.42Å; I39-F159 VanDerWaalsContact CG2-CD1 3.42Å; I39-F159 HydrophobicContact CG2-CD2 3.96Å; I39-F159 HydrophobicContact CG2-CE1 3.42Å; I39-F159 VanDerWaalsContact CG2-CE1 3.42Å; I39-F159 HydrophobicContact CG2-CE2 3.95Å; I39-F159 HydrophobicContact CG2-CG 3.7Å; I39-F159 HydrophobicContact CG2-CZ 3.69Å; P41-F159 HydrophobicContact CB-CE2 4.3Å; I88-F159 HydrophobicContact CG2-CE1 4.03Å; T90-F159 WeakPolarHBondContact OG1-CE2 3.36Å; I121-F159 HydrophobicContact CD1-CD1 3.58Å; I121-F159 HydrophobicContact CD1-CE1 3.79Å; I121-F159 HydrophobicContact CD1-CG 4.3Å; I121-F159 HydrophobicContact CG1-CD1 4.07Å; I121-F159 HydrophobicContact CG1-CE1 4.01Å; I121-F159 HydrophobicContact CG2-CD1 4.1Å; L147-F159 HydrophobicContact CD1-CB 3.62Å; L147-F159 HydrophobicContact CD1-CD2 4.4Å; L147-F159 HydrophobicContact CD1-CG 4.07Å; S156-F159 PolarHBondContact O-N 2.95Å; M157-F159 VanDerWaalsContact C-N 3.29Å; M157-F159 PolarHBondContact O-N 3.3Å; F159-E161 VanDerWaalsContact C-N 3.32Å; F159-E161 PolarHBondContact O-N 2.91Å; F159-A162 WeakPolarHBondContact O-CB 3.36Å; F159-A162 PolarHBondContact O-N 3Å; F159-F163 WeakPolarHBondContact O-CD2 3.36Å; F159-F163 PolarHBondContact O-N 3.05Å
160V97.8Very high96.4Very high0 Ų047.3 Ų47.30%023%0.229CC..Hα-helixtrans-62.6-43.6177-178.60000110.4L147 I151 S156 M157 A162 F163 R164 Q207 L209L147-V160 HydrophobicContact CD2-CG2 3.72Å; I151-V160 HydrophobicContact CD1-CG2 3.51Å; S156-V160 PolarHBondContact O-N 2.73Å; M157-V160 PolarHBondContact O-N 2.89Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 3.38Å; V160-F163 PolarHBondContact O-N 2.84Å; V160-R164 WeakPolarHBondContact O-CB 3.41Å; V160-R164 PolarHBondContact O-N 3.32Å; V160-Q207 HydrophobicContact CG1-CB 3.55Å; V160-Q207 HydrophobicContact CG1-CG 4.44Å; V160-L209 HydrophobicContact CG1-CD1 3.82Å; V160-L209 HydrophobicContact CG1-CG 4.33Å
161E98.2Very high96.5Very high48 Ų4852.3 Ų52.322%0.22425%0.249CC..Hα-helixtrans-62.8-39.8175179.354.5-153.600112V114 T118 M157 F159 F163 R164 Q165V114-E161 HydrophobicContact CG2-CG 3.91Å; T118-E161 HydrophobicContact CG2-CB 4.27Å; T118-E161 HydrophobicContact CG2-CG 3.96Å; M157-E161 WeakPolarHBondContact O-CB 3.46Å; M157-E161 PolarHBondContact O-N 2.86Å; F159-E161 VanDerWaalsContact C-N 3.32Å; F159-E161 PolarHBondContact O-N 2.91Å; E161-F163 PolarHBondContact O-N 2.82Å; E161-R164 WeakPolarHBondContact O-CB 3.3Å; E161-R164 PolarHBondContact O-N 2.8Å; E161-R164 IonicContact OE1-CZ 4Å; E161-R164 IonicContact OE1-NE 2.82Å; E161-R164 PolarHBondContact OE1-NE 2.89Å; E161-R164 IonicContact OE1-NH2 2.7Å; E161-R164 PolarHBondContact OE1-NH2 2.81Å; E161-R164 WeakPolarHBondContact OE2-CD 3.49Å; E161-R164 IonicContact OE2-CZ 3.37Å; E161-R164 IonicContact OE2-NE 3.21Å; E161-R164 PolarHBondContact OE2-NE 2.73Å; E161-R164 IonicContact OE2-NH2 3.76Å; E161-Q165 WeakPolarHBondContact O-CG 3.44Å; E161-Q165 PolarHBondContact O-N 3.41Å; E161-Q165 VanDerWaalsContact O-N 3.13Å; E161-Q165 PolarHBondContact OE1-NE2 3.48Å
162A98.6Very high96.5Very high0 Ų060.3 Ų60.30%028%0.278CS..Hα-helixtrans-59.3-45.2174.200000111.9T118 I121 Q122 P158 F159 V160 Q165 F166T118-A162 HydrophobicContact CG2-CB 4.07Å; I121-A162 HydrophobicContact CB-CB 3.88Å; I121-A162 HydrophobicContact CD1-CB 3.99Å; I121-A162 HydrophobicContact CG2-CB 3.73Å; Q122-A162 HydrophobicContact CG-CB 4.41Å; P158-A162 WeakPolarHBondContact O-CB 3.15Å; P158-A162 PolarHBondContact O-N 2.88Å; F159-A162 WeakPolarHBondContact O-CB 3.36Å; F159-A162 PolarHBondContact O-N 3Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 3.38Å; A162-Q165 PolarHBondContact O-N 2.86Å; A162-F166 WeakPolarHBondContact O-CB 3.47Å; A162-F166 PolarHBondContact O-N 2.57Å
163F98.4Very high96.7Very high0 Ų061.8 Ų61.80%028%0.277CS..Hα-helixtrans-73.3-30178.2-72-61.3000113.8L5 I39 V125 I145 F159 V160 E161 Q165 F166 Q167 F175 L209L5-F163 HydrophobicContact CD1-CD1 4.5Å; L5-F163 HydrophobicContact CD1-CD2 3.91Å; L5-F163 HydrophobicContact CD1-CE2 3.93Å; L5-F163 HydrophobicContact CD1-CG 4.23Å; L5-F163 HydrophobicContact CD1-CZ 4.25Å; L5-F163 HydrophobicContact CD2-CB 3.81Å; L5-F163 HydrophobicContact CD2-CD1 4.44Å; L5-F163 HydrophobicContact CD2-CD2 3.99Å; L5-F163 HydrophobicContact CD2-CG 3.81Å; I39-F163 HydrophobicContact CD1-CE2 3.34Å; I39-F163 HydrophobicContact CD1-CZ 3.47Å; I39-F163 VanDerWaalsContact CD1-CZ 3.47Å; V125-F163 HydrophobicContact CG2-CE1 4.3Å; V125-F163 HydrophobicContact CG2-CZ 4.12Å; I145-F163 HydrophobicContact CD1-CE1 3.73Å; I145-F163 HydrophobicContact CD1-CZ 4.18Å; I145-F163 HydrophobicContact CG2-CE1 4.32Å; I145-F163 HydrophobicContact CG2-CE2 4.3Å; I145-F163 HydrophobicContact CG2-CZ 3.71Å; F159-F163 WeakPolarHBondContact O-CD2 3.36Å; F159-F163 PolarHBondContact O-N 3.05Å; V160-F163 PolarHBondContact O-N 2.84Å; E161-F163 PolarHBondContact O-N 2.82Å; F163-Q165 PolarHBondContact O-N 2.98Å; F163-F166 HydrophobicContact CD1-CB 4.19Å; F163-F166 HydrophobicContact CD1-CD1 4.1Å; F163-F166 HydrophobicContact CD1-CG 4.42Å; F163-F166 HydrophobicContact CE1-CD1 4.38Å; F163-F166 PolarHBondContact O-N 3.19Å; F163-Q167 PolarHBondContact O-N 3.45Å; F163-Q167 VanDerWaalsContact O-N 3.12Å; F163-F175 HydrophobicContact CB-CZ 4.26Å; F163-F175 HydrophobicContact CD1-CE2 4.04Å; F163-F175 HydrophobicContact CD1-CZ 4.29Å; F163-L209 HydrophobicContact CB-CD1 4.24Å; F163-L209 HydrophobicContact CB-CD2 4.38Å
164R98Very high96.9Very high79 Ų7960.4 Ų60.430%0.29827%0.269SS..Hα-helixtrans-58.5-39.5171.2-169.5-1636973.71.6110.9V160 E161 Q167 F168 Q207V160-R164 WeakPolarHBondContact O-CB 3.41Å; V160-R164 PolarHBondContact O-N 3.32Å; E161-R164 WeakPolarHBondContact O-CB 3.3Å; E161-R164 PolarHBondContact O-N 2.8Å; E161-R164 IonicContact OE1-CZ 4Å; E161-R164 IonicContact OE1-NE 2.82Å; E161-R164 PolarHBondContact OE1-NE 2.89Å; E161-R164 IonicContact OE1-NH2 2.7Å; E161-R164 PolarHBondContact OE1-NH2 2.81Å; E161-R164 WeakPolarHBondContact OE2-CD 3.49Å; E161-R164 IonicContact OE2-CZ 3.37Å; E161-R164 IonicContact OE2-NE 3.21Å; E161-R164 PolarHBondContact OE2-NE 2.73Å; E161-R164 IonicContact OE2-NH2 3.76Å; R164-Q167 WeakPolarHBondContact O-CG 3.4Å; R164-Q167 PolarHBondContact O-NE2 2.86Å; R164-F168 WeakPolarHBondContact O-CD2 3.41Å; R164-F168 WeakPolarHBondContact O-CE2 3.48Å; R164-Q207 VanDerWaalsContact CD-O 3.32Å; R164-Q207 WeakPolarHBondContact CD-O 3.28Å
165Q98.3Very high97Very high37 Ų3754.2 Ų54.217%0.17324%0.238CC..Hα-helixtrans-76.7-41.6174.1-63.5173.614.200111.6T118 E161 A162 F163 Q167 F168 R169T118-Q165 PolarHBondContact OG1-OE1 3.16Å; E161-Q165 WeakPolarHBondContact O-CG 3.44Å; E161-Q165 PolarHBondContact O-N 3.41Å; E161-Q165 VanDerWaalsContact O-N 3.13Å; E161-Q165 PolarHBondContact OE1-NE2 3.48Å; A162-Q165 PolarHBondContact O-N 2.86Å; F163-Q165 PolarHBondContact O-N 2.98Å; Q165-Q167 VanDerWaalsContact C-N 3.31Å; Q165-Q167 PolarHBondContact O-N 3.25Å; Q165-F168 PolarHBondContact O-N 3.34Å; Q165-R169 PolarHBondContact O-N 2.9Å
166F98.3Very high97.2Very high0 Ų049 Ų490%021%0.213CC..Hα-helixtrans-57.3-39.5-175.7-165.5-118.7000113.6Y3 Q122 V125 A126 A162 F163 F168 R169 V170 F175Y3-F166 AromaticContact CD1-CE1 3.95Å; Y3-F166 HydrophobicContact CD1-CE1 3.95Å; Y3-F166 HydrophobicContact CD1-CZ 4.38Å; Y3-F166 AromaticContact CD2-CE1 3.86Å; Y3-F166 HydrophobicContact CD2-CE1 3.86Å; Y3-F166 HydrophobicContact CD2-CZ 4.36Å; Y3-F166 HydrophobicContact CE1-CE1 4.01Å; Y3-F166 AromaticContact CE1-CZ 3.97Å; Y3-F166 HydrophobicContact CE1-CZ 3.97Å; Y3-F166 AromaticContact CE2-CE1 3.93Å; Y3-F166 HydrophobicContact CE2-CE1 3.93Å; Y3-F166 AromaticContact CE2-CZ 3.95Å; Y3-F166 HydrophobicContact CE2-CZ 3.95Å; Y3-F166 AromaticContact CG-CE1 3.86Å; Y3-F166 HydrophobicContact CG-CE1 3.86Å; Y3-F166 AromaticContact CZ-CE1 3.99Å; Y3-F166 AromaticContact CZ-CZ 3.73Å; Q122-F166 HydrophobicContact CB-CD2 3.82Å; Q122-F166 HydrophobicContact CB-CE2 4.28Å; Q122-F166 HydrophobicContact CG-CB 3.99Å; Q122-F166 HydrophobicContact CG-CD2 3.68Å; Q122-F166 HydrophobicContact CG-CG 4.22Å; V125-F166 HydrophobicContact CG1-CE1 4.18Å; V125-F166 HydrophobicContact CG1-CZ 4.03Å; A126-F166 HydrophobicContact CB-CE2 4.26Å; A126-F166 HydrophobicContact CB-CZ 4.44Å; A162-F166 WeakPolarHBondContact O-CB 3.47Å; A162-F166 PolarHBondContact O-N 2.57Å; F163-F166 HydrophobicContact CD1-CB 4.19Å; F163-F166 HydrophobicContact CD1-CD1 4.1Å; F163-F166 HydrophobicContact CD1-CG 4.42Å; F163-F166 HydrophobicContact CE1-CD1 4.38Å; F163-F166 PolarHBondContact O-N 3.19Å; F166-F168 PolarHBondContact O-N 2.87Å; F166-F168 VanDerWaalsContact O-N 3.15Å; F166-R169 WeakPolarHBondContact O-CB 3.26Å; F166-R169 PolarHBondContact O-N 3.12Å; F166-V170 HydrophobicContact CD1-CG1 4.12Å; F166-V170 HydrophobicContact CD1-CG2 4.38Å; F166-V170 HydrophobicContact CD2-CG1 4.09Å; F166-V170 HydrophobicContact CE1-CG1 3.67Å; F166-V170 HydrophobicContact CE1-CG2 4.37Å; F166-V170 HydrophobicContact CE2-CG1 3.65Å; F166-V170 HydrophobicContact CG-CG1 4.33Å; F166-V170 HydrophobicContact CZ-CG1 3.43Å; F166-V170 VanDerWaalsContact CZ-CG1 3.43Å; F166-V170 WeakPolarHBondContact O-CG2 3.34Å; F166-V170 PolarHBondContact O-N 3.31Å; F166-F175 AromaticContact CD1-CD2 3.96Å; F166-F175 HydrophobicContact CD1-CD2 3.96Å; F166-F175 AromaticContact CD1-CE2 3.95Å; F166-F175 HydrophobicContact CD1-CE2 3.95Å; F166-F175 HydrophobicContact CE1-CD2 4.45Å
167Q96.8Very high97.4Very high38 Ų3849 Ų4918%0.17821%0.213CC..Hα-helixtrans-57-31.217974.2-172.8-48.200112.7F163 R164 Q165 K171 F175 G208F163-Q167 PolarHBondContact O-N 3.45Å; F163-Q167 VanDerWaalsContact O-N 3.12Å; R164-Q167 WeakPolarHBondContact O-CG 3.4Å; R164-Q167 PolarHBondContact O-NE2 2.86Å; Q165-Q167 VanDerWaalsContact C-N 3.31Å; Q165-Q167 PolarHBondContact O-N 3.25Å; Q167-K171 CarbonylContact O-C 3.13Å; Q167-K171 PolarHBondContact O-N 2.83Å; Q167-F175 HydrophobicContact CB-CB 4.37Å; Q167-F175 HydrophobicContact CB-CD1 3.7Å; Q167-F175 HydrophobicContact CB-CE1 4.11Å; Q167-F175 HydrophobicContact CB-CG 4.02Å; Q167-G208 PolarHBondContact NE2-O 3.28Å; Q167-G208 VanDerWaalsContact NE2-O 3.11Å
168F97.1Very high97.5Very high146 Ų14644.6 Ų44.664%0.6419%0.192SC*.Hα-helixtrans-81.2-36176.3-59-69.5000111.6R164 Q165 F166R164-F168 WeakPolarHBondContact O-CD2 3.41Å; R164-F168 WeakPolarHBondContact O-CE2 3.48Å; Q165-F168 PolarHBondContact O-N 3.34Å; F166-F168 PolarHBondContact O-N 2.87Å; F166-F168 VanDerWaalsContact O-N 3.15Å
169R97.1Very high97.5Very high133 Ų13343.8 Ų43.850%0.50219%0.186SC..Hα-helixtrans-62.7-42.1176.5-175.2177.8178.6-178.8-1.9112.2D123 Q165 F166D123-R169 IonicContact OD1-CZ 2.71Å; D123-R169 IonicContact OD1-NH1 3.22Å; D123-R169 PolarHBondContact OD1-NH1 3.13Å; D123-R169 IonicContact OD1-NH2 3.83Å; D123-R169 PolarHBondContact OD1-NH2 2.82Å; Q165-R169 PolarHBondContact O-N 2.9Å; F166-R169 WeakPolarHBondContact O-CB 3.26Å; F166-R169 PolarHBondContact O-N 3.12Å
170V96.8Very high97.5Very high21 Ų2143.7 Ų43.713%0.12719%0.186CC..Hα-helixtrans-91.9-6.6-177-560000114.1Y3 F166 N174 F175Y3-V170 HydrophobicContact CD2-CB 4.37Å; Y3-V170 HydrophobicContact CD2-CG1 4.25Å; Y3-V170 HydrophobicContact CD2-CG2 4.14Å; Y3-V170 HydrophobicContact CE2-CB 4.17Å; Y3-V170 HydrophobicContact CE2-CG1 3.76Å; Y3-V170 HydrophobicContact CE2-CG2 4.43Å; F166-V170 HydrophobicContact CD1-CG1 4.12Å; F166-V170 HydrophobicContact CD1-CG2 4.38Å; F166-V170 HydrophobicContact CD2-CG1 4.09Å; F166-V170 HydrophobicContact CE1-CG1 3.67Å; F166-V170 HydrophobicContact CE1-CG2 4.37Å; F166-V170 HydrophobicContact CE2-CG1 3.65Å; F166-V170 HydrophobicContact CG-CG1 4.33Å; F166-V170 HydrophobicContact CZ-CG1 3.43Å; F166-V170 VanDerWaalsContact CZ-CG1 3.43Å; F166-V170 WeakPolarHBondContact O-CG2 3.34Å; F166-V170 PolarHBondContact O-N 3.31Å; V170-N174 HydrophobicContact CB-CB 4.29Å; V170-N174 HydrophobicContact CG2-CB 4.19Å; V170-N174 WeakPolarHBondContact O-CB 3.34Å; V170-N174 PolarHBondContact O-ND2 3.16Å; V170-F175 HydrophobicContact CG2-CB 3.83Å; V170-F175 HydrophobicContact CG2-CD2 4.43Å
171K95Very high97.5Very high129 Ų12943.7 Ų43.756%0.56119%0.186SC*.  trans73.3152.6-170.1-48.2177.4177.9-178.70114.2Q167 E173 N174Q167-K171 CarbonylContact O-C 3.13Å; Q167-K171 PolarHBondContact O-N 2.83Å; K171-E173 WeakPolarHBondContact CB-OE2 3.25Å; K171-E173 VanDerWaalsContact CD-OE1 3.3Å; K171-E173 WeakPolarHBondContact CD-OE1 3.37Å; K171-E173 PolarHBondContact O-N 2.8Å; K171-N174 PolarHBondContact O-N 2.85Å; K171-N174 VanDerWaalsContact O-N 3.07Å
172R94.6Very high97.4Very high185 Ų18543.2 Ų43.270%0.69819%0.185SC*.G310 helixtrans-55.8-44.9-174.9-177.3178.2172.31030.4112.4N174 F175 R269R172-N174 PolarHBondContact O-N 3.34Å; R172-N174 VanDerWaalsContact O-N 3.14Å; R172-F175 PolarHBondContact O-N 2.94Å; R172-F175 VanDerWaalsContact O-O 3.07Å; R172-R269 VanDerWaalsContact CG-NH2 3.26Å; R172-R269 VanDerWaalsContact O-CZ 3.26Å; R172-R269 PolarHBondContact O-NH1 3.13Å; R172-R269 PolarHBondContact O-NH2 3.4Å
173E96.3Very high97.3Very high60 Ų6043.2 Ų43.228%0.2819%0.185SC..G310 helixtrans-70.4-1.5-178.867.7-85.1-163.700114.8K2 K171 L270K2-E173 PolarHBondContact NZ-O 2.97Å; K2-E173 VanDerWaalsContact NZ-O 3.1Å; K171-E173 WeakPolarHBondContact CB-OE2 3.25Å; K171-E173 VanDerWaalsContact CD-OE1 3.3Å; K171-E173 WeakPolarHBondContact CD-OE1 3.37Å; K171-E173 PolarHBondContact O-N 2.8Å; E173-L270 CarbonylContact O-C 3.36Å; E173-L270 WeakPolarHBondContact O-CA 3.47Å
174N97.9Very high97.2Very high33 Ų3345.3 Ų45.318%0.17620%0.198CC..G310 helixtrans-114.6-2.3178.2-62.9-44.2000113.3K2 Y3 V170 K171 R172K2-N174 CarbonylContact C-O 3.55Å; K2-N174 WeakPolarHBondContact CA-O 3.5Å; K2-N174 HydrophobicContact CD-CB 4.31Å; K2-N174 VanDerWaalsContact CD-OD1 3.29Å; K2-N174 WeakPolarHBondContact CD-OD1 3.27Å; K2-N174 WeakPolarHBondContact CE-OD1 3.25Å; K2-N174 PolarHBondContact NZ-OD1 3.32Å; Y3-N174 WeakPolarHBondContact CD2-O 3.29Å; Y3-N174 PolarHBondContact N-O 2.99Å; V170-N174 HydrophobicContact CB-CB 4.29Å; V170-N174 HydrophobicContact CG2-CB 4.19Å; V170-N174 WeakPolarHBondContact O-CB 3.34Å; V170-N174 PolarHBondContact O-ND2 3.16Å; K171-N174 PolarHBondContact O-N 2.85Å; K171-N174 VanDerWaalsContact O-N 3.07Å; R172-N174 PolarHBondContact O-N 3.34Å; R172-N174 VanDerWaalsContact O-N 3.14Å
175F98.2Very high97.1Very high4 Ų444 Ų442%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-132.9132-176.7-169.9-91.8000110.5Y3 L5 F163 F166 Q167 V170 R172 T177 L209 R269Y3-F175 WeakPolarHBondContact O-CA 3.02Å; L5-F175 HydrophobicContact CB-CE1 4.39Å; L5-F175 HydrophobicContact CB-CE2 4.08Å; L5-F175 HydrophobicContact CB-CZ 3.62Å; L5-F175 HydrophobicContact CD2-CZ 3.77Å; L5-F175 HydrophobicContact CG-CZ 4.32Å; F163-F175 HydrophobicContact CB-CZ 4.26Å; F163-F175 HydrophobicContact CD1-CE2 4.04Å; F163-F175 HydrophobicContact CD1-CZ 4.29Å; F166-F175 AromaticContact CD1-CD2 3.96Å; F166-F175 HydrophobicContact CD1-CD2 3.96Å; F166-F175 AromaticContact CD1-CE2 3.95Å; F166-F175 HydrophobicContact CD1-CE2 3.95Å; F166-F175 HydrophobicContact CE1-CD2 4.45Å; Q167-F175 HydrophobicContact CB-CB 4.37Å; Q167-F175 HydrophobicContact CB-CD1 3.7Å; Q167-F175 HydrophobicContact CB-CE1 4.11Å; Q167-F175 HydrophobicContact CB-CG 4.02Å; V170-F175 HydrophobicContact CG2-CB 3.83Å; V170-F175 HydrophobicContact CG2-CD2 4.43Å; R172-F175 PolarHBondContact O-N 2.94Å; R172-F175 VanDerWaalsContact O-O 3.07Å; F175-T177 WeakPolarHBondContact CE1-OG1 3.34Å; F175-L209 HydrophobicContact CE1-CD2 4.26Å; F175-R269 PolarHBondContact O-NH2 2.9Å; F175-R269 VanDerWaalsContact O-NH2 3.13Å
176V97.7Very high96.7Very high0 Ų044.7 Ų44.70%020%0.203CC..EExtended strand (participates in β ladder)trans-135.7144.6173.370.30000110.7Y3 I4 L5 E212 L266 R269 L270Y3-V176 PolarHBondContact O-N 3.25Å; I4-V176 WeakPolarHBondContact CA-O 3.12Å; I4-V176 HydrophobicContact CB-CG1 4.08Å; I4-V176 HydrophobicContact CG1-CG1 3.69Å; I4-V176 HydrophobicContact CG2-CG1 4.11Å; L5-V176 PolarHBondContact N-O 2.89Å; V176-E212 WeakPolarHBondContact CA-OE2 3.42Å; V176-E212 HydrophobicContact CG2-CB 3.75Å; V176-E212 HydrophobicContact CG2-CG 4.33Å; V176-E212 WeakPolarHBondContact CG2-OE2 3.42Å; V176-L266 HydrophobicContact CG1-CD2 4.08Å; V176-L266 HydrophobicContact CG2-CD2 3.81Å; V176-R269 HydrophobicContact CG2-CG 4.24Å; V176-L270 HydrophobicContact CB-CD2 4.12Å; V176-L270 HydrophobicContact CG1-CD1 4.04Å; V176-L270 HydrophobicContact CG1-CD2 4.12Å; V176-L270 HydrophobicContact CG1-CG 4.3Å
177T97.9Very high96.4Very high2 Ų248.2 Ų48.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-110.4124.5177.4-50.40000111.2L5 T7 F175 L204 Y210 E212 V213L5-T177 CarbonylContact O-C 3.6Å; L5-T177 WeakPolarHBondContact O-CA 3.4Å; T7-T177 HydrophobicContact CG2-CG2 4.46Å; F175-T177 WeakPolarHBondContact CE1-OG1 3.34Å; T177-L204 HydrophobicContact CG2-CD2 4.15Å; T177-Y210 WeakPolarHBondContact CB-O 3.2Å; T177-E212 PolarHBondContact N-OE2 3.31Å; T177-E212 PolarHBondContact O-N 3.43Å; T177-V213 PolarHBondContact O-N 2.92Å
178V97.9Very high96.2Very high1 Ų151.8 Ų51.81%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-106123.8170.4-178.90000108.1I4 L5 V6 T7 I23 V213 V215I4-V178 HydrophobicContact CG2-CG2 3.68Å; L5-V178 PolarHBondContact O-N 3.29Å; V6-V178 CarbonylContact C-O 3.51Å; V6-V178 VanDerWaalsContact CA-O 3.31Å; V6-V178 WeakPolarHBondContact CA-O 3.47Å; V6-V178 HydrophobicContact CG2-CB 4.32Å; T7-V178 PolarHBondContact N-O 3.02Å; T7-V178 PolarHBondContact OG1-O 3.03Å; I23-V178 HydrophobicContact CD1-CG1 4.2Å; I23-V178 HydrophobicContact CD1-CG2 4.27Å; V178-V213 WeakPolarHBondContact CA-O 3.36Å; V178-V213 HydrophobicContact CG1-CB 4.38Å; V178-V213 HydrophobicContact CG1-CG1 4.34Å; V178-V213 HydrophobicContact CG2-CB 4.22Å; V178-V215 HydrophobicContact CG1-CG2 3.69Å
179H98Very high95.9Very high0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-111.7118.6-179.7-17260.9000110.9T7 S200 L204 P211 V213 I214 V215T7-H179 PolarHBondContact OG1-ND1 3.14Å; H179-S200 PolarHBondContact CE1-OG 3.08Å; H179-S200 VanDerWaalsContact CE1-OG 3.26Å; H179-S200 PolarHBondContact NE2-OG 3.18Å; H179-L204 HydrophobicContact CB-CD2 3.99Å; H179-P211 HydrophobicContact CB-CB 3.78Å; H179-V213 PolarHBondContact N-O 3.03Å; H179-I214 CarbonylContact O-C 3.52Å; H179-I214 WeakPolarHBondContact O-CA 3.34Å; H179-V215 PolarHBondContact O-N 3.18Å
180V98Very high95.5Very high1 Ų144.5 Ų44.51%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-94.7118.1179.8-169.80000109.2V6 T7 G9 I14 I19 V215V6-V180 HydrophobicContact CG1-CG2 3.75Å; T7-V180 PolarHBondContact O-N 3.26Å; G9-V180 PolarHBondContact N-O 3.16Å; I14-V180 HydrophobicContact CD1-CG1 4.25Å; I14-V180 HydrophobicContact CG1-CG1 4.27Å; I14-V180 HydrophobicContact CG2-CB 4.42Å; I14-V180 HydrophobicContact CG2-CG1 3.89Å; I19-V180 HydrophobicContact CB-CG2 4.27Å; I19-V180 HydrophobicContact CG1-CG1 4.28Å; I19-V180 HydrophobicContact CG1-CG2 4.4Å; I19-V180 HydrophobicContact CG2-CG2 4.06Å; V180-V215 CarbonylContact C-O 3.53Å; V180-V215 WeakPolarHBondContact CA-O 3.03Å; V180-V215 HydrophobicContact CG2-CB 4.33Å
181S97.6Very high95.3Very high0 Ų048.1 Ų48.10%028%0.275CS..EExtended strand (participates in β ladder)trans-130.7156.2-175.9-173.60000112.4V10 T197 V215 C216 R217V10-S181 WeakPolarHBondContact CG2-OG 3.43Å; S181-T197 VanDerWaalsContact OG-CA 3.23Å; S181-T197 WeakPolarHBondContact OG-CA 3.31Å; S181-T197 WeakPolarHBondContact OG-CB 3.47Å; S181-T197 PolarHBondContact OG-OG1 2.73Å; S181-V215 PolarHBondContact N-O 3.39Å; S181-C216 CarbonylContact O-C 3.56Å; S181-C216 WeakPolarHBondContact O-CA 3.48Å; S181-R217 PolarHBondContact O-N 2.98Å
182L97.2Very high95.4Very high38 Ų3842.6 Ų42.620%0.19925%0.251CS..EExtended strand (participates in β ladder)trans-94.5129.5179-176.670.4000109.7V10 I11 I14 P184 T197V10-L182 HydrophobicContact CB-CB 4.09Å; V10-L182 HydrophobicContact CG2-CB 4.33Å; I11-L182 HydrophobicContact CD1-CD2 3.91Å; I11-L182 HydrophobicContact CG1-CD2 4.27Å; I14-L182 HydrophobicContact CD1-CB 3.74Å; I14-L182 VanDerWaalsContact CD1-N 3.26Å; L182-P184 VanDerWaalsContact O-CD 3.28Å; L182-P184 WeakPolarHBondContact O-CD 3.38Å; L182-T197 PolarHBondContact O-OG1 3.01Å
183V97.4Very high95.5Very high1 Ų137 Ų371%0.00623%0.232CC..  trans-107.692.3167.3179.70000107.7Q192 C216 R217 L222 T226 I230V183-Q192 HydrophobicContact CG1-CB 3.99Å; V183-C216 HydrophobicContact CG2-CB 3.73Å; V183-R217 PolarHBondContact N-O 3.14Å; V183-L222 HydrophobicContact CB-CD2 4.12Å; V183-L222 HydrophobicContact CG1-CD2 3.91Å; V183-L222 HydrophobicContact CG2-CD2 4.3Å; V183-T226 HydrophobicContact CG1-CG2 4.31Å; V183-I230 HydrophobicContact CG2-CD1 3.89Å
184P95.9Very high95.6Very high44 Ų4434.4 Ų34.429%0.28622%0.22SC..  trans-70.8148-179.428-34.1000111.6L182 K193 P196L182-P184 VanDerWaalsContact O-CD 3.28Å; L182-P184 WeakPolarHBondContact O-CD 3.38Å; P184-K193 WeakPolarHBondContact CD-O 3.33Å; P184-K193 HydrophobicContact CG-CB 4.33Å; P184-K193 PolarHBondContact O-N 2.93Å; P184-P196 HydrophobicContact CG-CG 3.99Å
185E94.4Very high95.5Very high51 Ų5138 Ų3824%0.23823%0.234CC..  trans-124.689.8175.4-168.3-173.3140.100108G187 G190 Q192 T220E185-G187 PolarHBondContact O-N 2.94Å; E185-G190 WeakPolarHBondContact CG-O 3.32Å; E185-Q192 HydrophobicContact CG-CG 4.44Å; E185-T220 PolarHBondContact OE2-OG1 3.03Å
186P91.8Very high95.5Very high52 Ų5239.7 Ų39.734%0.33825%0.245SC..  trans-60.9125-177.5-21.832.9000110.5S188 T189 G190 E191 K193P186-S188 PolarHBondContact O-N 2.75Å; P186-T189 PolarHBondContact O-N 3.39Å; P186-T189 PolarHBondContact O-OG1 2.85Å; P186-G190 PolarHBondContact O-N 3.18Å; P186-E191 WeakPolarHBondContact CD-O 3.32Å; P186-K193 HydrophobicContact CG-CG 4.18Å
187G90.8Very high95.5Very high74 Ų7439.7 Ų39.776%0.76325%0.245SC*.THydrogen-bonded Turntrans-59.3-21.7-175.200000114.8E185 T189E185-G187 PolarHBondContact O-N 2.94Å; G187-T189 VanDerWaalsContact C-N 3.32Å
188S91.9Very high95.4Very high112 Ų11240.3 Ų40.378%0.78325%0.248SC*.THydrogen-bonded Turntrans-70.5-24.2174.552.70000114.2P186P186-S188 PolarHBondContact O-N 2.75Å
189T91.5Very high95.4Very high85 Ų8544.8 Ų44.852%0.52127%0.269SS..THydrogen-bonded Turntrans-120.2-28.1-175.661.20000113.4P186 G187 E191P186-T189 PolarHBondContact O-N 3.39Å; P186-T189 PolarHBondContact O-OG1 2.85Å; G187-T189 VanDerWaalsContact C-N 3.32Å; T189-E191 PolarHBondContact O-N 2.85Å; T189-E191 PolarHBondContact OG1-N 3.14Å
190G88.7Confident95.3Very high42 Ų4245.3 Ų45.343%0.43327%0.272SS..  trans667.6-172.600000114.2E185 P186E185-G190 WeakPolarHBondContact CG-O 3.32Å; P186-G190 PolarHBondContact O-N 3.18Å
191E93.2Very high95.3Very high96 Ų9645.2 Ų45.245%0.44927%0.272SS..  trans-91.5130.4-177.1-167.1-165.9135.600110.8P186 T189 K193P186-E191 WeakPolarHBondContact CD-O 3.32Å; T189-E191 PolarHBondContact O-N 2.85Å; T189-E191 PolarHBondContact OG1-N 3.14Å; E191-K193 PolarHBondContact O-N 2.99Å; E191-K193 IonicContact OE1-NZ 2.73Å; E191-K193 PolarHBondContact OE1-NZ 2.96Å; E191-K193 IonicContact OE2-NZ 2.71Å; E191-K193 PolarHBondContact OE2-NZ 3.12Å
192Q97.1Very high95.2Very high13 Ų1352.4 Ų52.46%0.06130%0.299CS..  trans-69.2109.4174.8-68177.6-9.800110.7V183 E185 T220 P221 T226V183-Q192 HydrophobicContact CG1-CB 3.99Å; E185-Q192 HydrophobicContact CG-CG 4.44Å; Q192-T220 PolarHBondContact NE2-OG1 2.98Å; Q192-P221 PolarHBondContact NE2-O 2.93Å; Q192-T226 HydrophobicContact CB-CG2 3.96Å; Q192-T226 PolarHBondContact OE1-OG1 3.32Å
193K96.7Very high95.2Very high69 Ų6954.3 Ų54.330%0.331%0.307SS..  trans-91.5115.8-176.4-62.7-60.5178.6-175.80111.1P184 P186 E191P184-K193 WeakPolarHBondContact CD-O 3.33Å; P184-K193 HydrophobicContact CG-CB 4.33Å; P184-K193 PolarHBondContact O-N 2.93Å; P186-K193 HydrophobicContact CG-CG 4.18Å; E191-K193 PolarHBondContact O-N 2.99Å; E191-K193 IonicContact OE1-NZ 2.73Å; E191-K193 PolarHBondContact OE1-NZ 2.96Å; E191-K193 IonicContact OE2-NZ 2.71Å; E191-K193 PolarHBondContact OE2-NZ 3.12Å
194T97.1Very high95.2Very high4 Ų454.2 Ų54.23%0.02531%0.307CS..  trans-90.9-9.6-176.958.50000114.6T197 Q198 T226 K229 I230T194-T197 WeakPolarHBondContact O-CB 2.95Å; T194-T197 PolarHBondContact O-N 2.85Å; T194-T197 VanDerWaalsContact O-N 3.17Å; T194-Q198 WeakPolarHBondContact O-CG 3.33Å; T194-Q198 PolarHBondContact O-N 3.09Å; T194-Q198 PolarHBondContact OG1-NE2 2.96Å; T194-Q198 VanDerWaalsContact OG1-NE2 3.14Å; T194-T226 HydrophobicContact CG2-CG2 3.41Å; T194-T226 VanDerWaalsContact CG2-CG2 3.41Å; T194-K229 HydrophobicContact CG2-CD 4.49Å; T194-K229 WeakPolarHBondContact OG1-CD 3.4Å; T194-I230 HydrophobicContact CG2-CD1 3.87Å; T194-I230 HydrophobicContact CG2-CG1 3.59Å
195K97.5Very high95.2Very high110 Ų11054.2 Ų54.248%0.47830%0.301SS..Hα-helixtrans-56.6-44.3-175.2-81.5-72172.4-160.60114.2T197 Q198 H199K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.87Å; K195-Q198 WeakPolarHBondContact O-CB 3.23Å; K195-Q198 PolarHBondContact O-N 2.83Å; K195-Q198 VanDerWaalsContact O-N 3.11Å; K195-H199 PolarHBondContact O-CD2 3.22Å; K195-H199 PolarHBondContact O-N 2.89Å
196P96.8Very high95.3Very high38 Ų3855.1 Ų55.125%0.24732%0.323CS..Hα-helixtrans-56-45.9175.8-27.737.4000112.7V10 P184 Q198 H199 S200V10-P196 HydrophobicContact CB-CB 4.43Å; V10-P196 HydrophobicContact CG1-CB 3.85Å; V10-P196 HydrophobicContact CG2-CB 3.61Å; P184-P196 HydrophobicContact CG-CG 3.99Å; P196-Q198 VanDerWaalsContact C-N 3.34Å; P196-Q198 PolarHBondContact O-N 3.23Å; P196-H199 PolarHBondContact O-N 2.7Å; P196-S200 WeakPolarHBondContact O-CB 3.49Å; P196-S200 PolarHBondContact O-N 3.37Å
197T97.6Very high95.6Very high0 Ų054.2 Ų54.20%032%0.315CS..Hα-helixtrans-60.3-40.4174.8-56.30000112.9S181 L182 T194 K195 H199 S200 A201 I214 I230S181-T197 VanDerWaalsContact OG-CA 3.23Å; S181-T197 WeakPolarHBondContact OG-CA 3.31Å; S181-T197 WeakPolarHBondContact OG-CB 3.47Å; S181-T197 PolarHBondContact OG-OG1 2.73Å; L182-T197 PolarHBondContact O-OG1 3.01Å; T194-T197 WeakPolarHBondContact O-CB 2.95Å; T194-T197 PolarHBondContact O-N 2.85Å; T194-T197 VanDerWaalsContact O-N 3.17Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.87Å; T197-H199 PolarHBondContact O-N 2.83Å; T197-S200 PolarHBondContact O-N 3.07Å; T197-A201 WeakPolarHBondContact O-CB 3.49Å; T197-A201 PolarHBondContact O-N 2.61Å; T197-I214 HydrophobicContact CG2-CG2 3.91Å; T197-I230 HydrophobicContact CG2-CG2 4.16Å
198Q97.3Very high95.8Very high15 Ų1551.5 Ų51.57%0.0729%0.287CS..Hα-helixtrans-62.6-43.6177.3-63.3175.211.700112.1T194 K195 P196 R202 F233T194-Q198 WeakPolarHBondContact O-CG 3.33Å; T194-Q198 PolarHBondContact O-N 3.09Å; T194-Q198 PolarHBondContact OG1-NE2 2.96Å; T194-Q198 VanDerWaalsContact OG1-NE2 3.14Å; K195-Q198 WeakPolarHBondContact O-CB 3.23Å; K195-Q198 PolarHBondContact O-N 2.83Å; K195-Q198 VanDerWaalsContact O-N 3.11Å; P196-Q198 VanDerWaalsContact C-N 3.34Å; P196-Q198 PolarHBondContact O-N 3.23Å; Q198-R202 WeakPolarHBondContact O-CB 3.42Å; Q198-R202 PolarHBondContact O-N 2.87Å; Q198-F233 HydrophobicContact CG-CB 3.67Å; Q198-F233 HydrophobicContact CG-CG 4.24Å
199H96.8Very high96Very high95 Ų9546.2 Ų46.244%0.4425%0.25SC..Hα-helixtrans-67.3-42.5177.8-71.4-63.4000111.6K195 P196 T197 R202 E203K195-H199 PolarHBondContact O-CD2 3.22Å; K195-H199 PolarHBondContact O-N 2.89Å; P196-H199 PolarHBondContact O-N 2.7Å; T197-H199 PolarHBondContact O-N 2.83Å; H199-R202 WeakPolarHBondContact O-CB 3.38Å; H199-R202 PolarHBondContact O-N 3.05Å; H199-E203 PolarHBondContact O-N 3.15Å
200S96.5Very high96.2Very high11 Ų1149 Ų498%0.07725%0.252CS..Hα-helixtrans-62.1-45.9177.5-1690000112.5G9 H179 P196 T197 R202 E203 L204G9-S200 WeakPolarHBondContact CA-OG 3.32Å; H179-S200 PolarHBondContact CE1-OG 3.08Å; H179-S200 VanDerWaalsContact CE1-OG 3.26Å; H179-S200 PolarHBondContact NE2-OG 3.18Å; P196-S200 WeakPolarHBondContact O-CB 3.49Å; P196-S200 PolarHBondContact O-N 3.37Å; T197-S200 PolarHBondContact O-N 3.07Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.12Å; S200-E203 PolarHBondContact O-N 3.42Å; S200-L204 PolarHBondContact O-N 3.3Å
201A96.7Very high96.6Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-64.7-34.4175.500000112.2T197 R205 P211 C234T197-A201 WeakPolarHBondContact O-CB 3.49Å; T197-A201 PolarHBondContact O-N 2.61Å; A201-R205 WeakPolarHBondContact O-CG 3.47Å; A201-R205 PolarHBondContact O-N 2.96Å; A201-R205 VanDerWaalsContact O-N 3.11Å; A201-P211 HydrophobicContact CB-CG 4.43Å; A201-C234 HydrophobicContact CB-CB 4.05Å
202R97Very high96.8Very high151 Ų15144.2 Ų44.257%0.5722%0.219SC*.Hα-helixtrans-65.7-42.6174-174-17471.3-179.43.2111.5Q198 H199 S200 R205 G206Q198-R202 WeakPolarHBondContact O-CB 3.42Å; Q198-R202 PolarHBondContact O-N 2.87Å; H199-R202 WeakPolarHBondContact O-CB 3.38Å; H199-R202 PolarHBondContact O-N 3.05Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.12Å; R202-R205 PolarHBondContact O-N 2.88Å; R202-G206 PolarHBondContact O-N 3.27Å
203E96.7Very high96.8Very high77 Ų7743.7 Ų43.736%0.3622%0.217SC..Hα-helixtrans-62-49.1177.9-174.357.5-147.300111I151 H199 S200 R205 G206 Q207I151-E203 HydrophobicContact CG2-CB 4.28Å; I151-E203 HydrophobicContact CG2-CG 3.8Å; H199-E203 PolarHBondContact O-N 3.15Å; S200-E203 PolarHBondContact O-N 3.42Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-R205 PolarHBondContact O-N 3.49Å; E203-G206 WeakPolarHBondContact O-CA 3.36Å; E203-G206 PolarHBondContact O-N 3.07Å; E203-Q207 PolarHBondContact O-N 3.15Å; E203-Q207 PolarHBondContact OE1-NE2 2.82Å
204L97.1Very high96.8Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-55.6-44.1176.1-175.465.1000112T7 I151 T177 H179 S200 Q207 G208 L209 P211T7-L204 HydrophobicContact CG2-CD1 4.39Å; I151-L204 HydrophobicContact CD1-CD1 3.79Å; I151-L204 HydrophobicContact CG1-CD1 4.05Å; I151-L204 HydrophobicContact CG2-CB 4.27Å; I151-L204 HydrophobicContact CG2-CD1 4.36Å; T177-L204 HydrophobicContact CG2-CD2 4.15Å; H179-L204 HydrophobicContact CB-CD2 3.99Å; S200-L204 PolarHBondContact O-N 3.3Å; L204-Q207 PolarHBondContact O-N 3.45Å; L204-G208 PolarHBondContact O-N 3.12Å; L204-L209 CarbonylContact C-O 3.19Å; L204-L209 HydrophobicContact CD1-CB 3.69Å; L204-L209 HydrophobicContact CD1-CD1 3.99Å; L204-L209 HydrophobicContact CD1-CG 4.47Å; L204-L209 HydrophobicContact CG-CB 3.92Å; L204-L209 PolarHBondContact O-N 3.43Å; L204-L209 VanDerWaalsContact O-N 3.17Å; L204-P211 HydrophobicContact CD2-CB 4.11Å; L204-P211 HydrophobicContact CD2-CG 4.33Å
205R96.9Very high96.9Very high44 Ų4440.3 Ų40.317%0.16620%0.202CC..Hα-helixtrans-65.5-37.9174.7-72.8-168.3-56.1-953.8113A201 R202 E203 Q207 G208 L209 Y210 C234A201-R205 WeakPolarHBondContact O-CG 3.47Å; A201-R205 PolarHBondContact O-N 2.96Å; A201-R205 VanDerWaalsContact O-N 3.11Å; R202-R205 PolarHBondContact O-N 2.88Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-R205 PolarHBondContact O-N 3.49Å; R205-Q207 PolarHBondContact O-N 3.45Å; R205-G208 PolarHBondContact O-N 3.03Å; R205-L209 WeakPolarHBondContact CA-O 3.21Å; R205-L209 PolarHBondContact N-O 3.19Å; R205-Y210 HydrophobicContact CB-CE1 4.45Å; R205-Y210 HydrophobicContact CG-CD1 3.73Å; R205-Y210 HydrophobicContact CG-CE1 3.99Å; R205-Y210 HydrophobicContact CG-CG 4.39Å; R205-C234 PolarHBondContact NH1-O 3.5Å
206G96.6Very high96.9Very high69 Ų6935.1 Ų35.171%0.71118%0.179SC*.Hα-helixtrans-59.8-31.2175.100000112.4R202 E203 G208R202-G206 PolarHBondContact O-N 3.27Å; E203-G206 WeakPolarHBondContact O-CA 3.36Å; E203-G206 PolarHBondContact O-N 3.07Å; G206-G208 VanDerWaalsContact C-N 3.31Å
207Q96.2Very high96.9Very high33 Ų3337.3 Ų37.315%0.15418%0.182CC..THydrogen-bonded Turntrans-88.77.3174.6-56.5-174.122.800113.4V160 R164 E203 L204 R205V160-Q207 HydrophobicContact CG1-CB 3.55Å; V160-Q207 HydrophobicContact CG1-CG 4.44Å; R164-Q207 VanDerWaalsContact CD-O 3.32Å; R164-Q207 WeakPolarHBondContact CD-O 3.28Å; E203-Q207 PolarHBondContact O-N 3.15Å; E203-Q207 PolarHBondContact OE1-NE2 2.82Å; L204-Q207 PolarHBondContact O-N 3.45Å; R205-Q207 PolarHBondContact O-N 3.45Å
208G96Very high96.8Very high18 Ų1837.5 Ų37.519%0.18618%0.184CC..THydrogen-bonded Turntrans84.413.2171.500000116Q167 L204 R205 G206Q167-G208 PolarHBondContact NE2-O 3.28Å; Q167-G208 VanDerWaalsContact NE2-O 3.11Å; L204-G208 PolarHBondContact O-N 3.12Å; R205-G208 PolarHBondContact O-N 3.03Å; G206-G208 VanDerWaalsContact C-N 3.31Å
209L97Very high96.7Very high0 Ų044.6 Ų44.60%021%0.21CC..  trans-107.6138.5170.2-68.4178.5000110.4L5 V160 F163 F175 L204 R205L5-L209 HydrophobicContact CD2-CD1 3.73Å; V160-L209 HydrophobicContact CG1-CD1 3.82Å; V160-L209 HydrophobicContact CG1-CG 4.33Å; F163-L209 HydrophobicContact CB-CD1 4.24Å; F163-L209 HydrophobicContact CB-CD2 4.38Å; F175-L209 HydrophobicContact CE1-CD2 4.26Å; L204-L209 CarbonylContact C-O 3.19Å; L204-L209 HydrophobicContact CD1-CB 3.69Å; L204-L209 HydrophobicContact CD1-CD1 3.99Å; L204-L209 HydrophobicContact CD1-CG 4.47Å; L204-L209 HydrophobicContact CG-CB 3.92Å; L204-L209 PolarHBondContact O-N 3.43Å; L204-L209 VanDerWaalsContact O-N 3.17Å; R205-L209 WeakPolarHBondContact CA-O 3.21Å; R205-L209 PolarHBondContact N-O 3.19Å
210Y95.7Very high96.6Very high145 Ų14542.2 Ų42.257%0.56920%0.202SC*.  trans-112122.3-179.7-67.5-95.5000109.3T177 R205 E212T177-Y210 WeakPolarHBondContact CB-O 3.2Å; R205-Y210 HydrophobicContact CB-CE1 4.45Å; R205-Y210 HydrophobicContact CG-CD1 3.73Å; R205-Y210 HydrophobicContact CG-CE1 3.99Å; R205-Y210 HydrophobicContact CG-CG 4.39Å; Y210-E212 PolarHBondContact O-N 2.98Å
211P96.3Very high96.7Very high8 Ų845.3 Ų45.35%0.05222%0.222CC..  trans-67.8126.8175.328.6-31.9000109.3H179 A201 L204 I214 V236H179-P211 HydrophobicContact CB-CB 3.78Å; A201-P211 HydrophobicContact CB-CG 4.43Å; L204-P211 HydrophobicContact CD2-CB 4.11Å; L204-P211 HydrophobicContact CD2-CG 4.33Å; P211-I214 HydrophobicContact CB-CD1 4.47Å; P211-I214 HydrophobicContact CB-CG1 3.99Å; P211-I214 HydrophobicContact CG-CD1 4.31Å; P211-I214 HydrophobicContact CG-CG1 4.36Å; P211-V236 WeakPolarHBondContact O-CG1 3.48Å
212E96.4Very high96.7Very high29 Ų2946.1 Ų46.114%0.13623%0.226CC..SBendtrans-100.5-19.5173.9-72.5148.213400111.7V176 T177 Y210 Q240 F265 R269V176-E212 WeakPolarHBondContact CA-OE2 3.42Å; V176-E212 HydrophobicContact CG2-CB 3.75Å; V176-E212 HydrophobicContact CG2-CG 4.33Å; V176-E212 WeakPolarHBondContact CG2-OE2 3.42Å; T177-E212 PolarHBondContact N-OE2 3.31Å; T177-E212 PolarHBondContact O-N 3.43Å; Y210-E212 PolarHBondContact O-N 2.98Å; E212-Q240 WeakPolarHBondContact O-CB 3.28Å; E212-Q240 VanDerWaalsContact O-CD 3.29Å; E212-Q240 WeakPolarHBondContact O-CG 3.48Å; E212-Q240 PolarHBondContact O-NE2 3.25Å; E212-F265 HydrophobicContact CB-CE1 4.16Å; E212-F265 HydrophobicContact CB-CZ 4.19Å; E212-R269 IonicContact OE1-CZ 2.91Å; E212-R269 IonicContact OE1-NE 3.96Å; E212-R269 PolarHBondContact OE1-NE 2.98Å; E212-R269 IonicContact OE1-NH2 3.61Å; E212-R269 PolarHBondContact OE1-NH2 3.47Å
213V97.5Very high96.7Very high2 Ų243.6 Ų43.61%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-134.3135.3167.5177.20000107.9T177 V178 H179 V215 I242 V262 F265 L266T177-V213 PolarHBondContact O-N 2.92Å; V178-V213 WeakPolarHBondContact CA-O 3.36Å; V178-V213 HydrophobicContact CG1-CB 4.38Å; V178-V213 HydrophobicContact CG1-CG1 4.34Å; V178-V213 HydrophobicContact CG2-CB 4.22Å; H179-V213 PolarHBondContact N-O 3.03Å; V213-V215 HydrophobicContact CG1-CG2 4.12Å; V213-I242 HydrophobicContact CG1-CG1 3.75Å; V213-V262 HydrophobicContact CB-CG2 4.44Å; V213-V262 HydrophobicContact CG1-CG2 3.7Å; V213-V262 HydrophobicContact CG2-CG2 3.8Å; V213-F265 HydrophobicContact CG2-CD1 3.85Å; V213-F265 HydrophobicContact CG2-CE1 3.81Å; V213-L266 HydrophobicContact CG2-CD2 3.85Å; V213-L266 HydrophobicContact CG2-CG 4.42Å
214I97.8Very high96.7Very high0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-114.9108.7175.1-56.1179.3000108H179 T197 P211 I230 C234 V236 Q240 I242H179-I214 CarbonylContact O-C 3.52Å; H179-I214 WeakPolarHBondContact O-CA 3.34Å; T197-I214 HydrophobicContact CG2-CG2 3.91Å; P211-I214 HydrophobicContact CB-CD1 4.47Å; P211-I214 HydrophobicContact CB-CG1 3.99Å; P211-I214 HydrophobicContact CG-CD1 4.31Å; P211-I214 HydrophobicContact CG-CG1 4.36Å; I214-I230 HydrophobicContact CD1-CG2 4.21Å; I214-I230 HydrophobicContact CG2-CG2 4.33Å; I214-C234 HydrophobicContact CD1-CB 3.25Å; I214-V236 HydrophobicContact CD1-CG1 4.25Å; I214-V236 HydrophobicContact CD1-CG2 3.8Å; I214-V236 HydrophobicContact CG1-CG1 4.48Å; I214-V236 HydrophobicContact CG1-CG2 4.28Å; I214-Q240 PolarHBondContact N-O 3.25Å; I214-I242 PolarHBondContact O-N 3.46Å
215V97.9Very high96.7Very high2 Ų248 Ų481%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-89.7111.4174.9-176.40000108.1I19 V178 H179 V180 S181 V213 I242 I244I19-V215 HydrophobicContact CD1-CG1 3.9Å; I19-V215 HydrophobicContact CG1-CG1 4.14Å; I19-V215 HydrophobicContact CG2-CB 4.44Å; I19-V215 HydrophobicContact CG2-CG1 4.19Å; I19-V215 HydrophobicContact CG2-CG2 4.11Å; V178-V215 HydrophobicContact CG1-CG2 3.69Å; H179-V215 PolarHBondContact O-N 3.18Å; V180-V215 CarbonylContact C-O 3.53Å; V180-V215 WeakPolarHBondContact CA-O 3.03Å; V180-V215 HydrophobicContact CG2-CB 4.33Å; S181-V215 PolarHBondContact N-O 3.39Å; V213-V215 HydrophobicContact CG1-CG2 4.12Å; V215-I242 HydrophobicContact CG2-CB 4.29Å; V215-I244 HydrophobicContact CG1-CB 4.36Å; V215-I244 HydrophobicContact CG1-CG1 3.63Å
216C97.7Very high96.7Very high0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-98.8110.8-178-65.80000109.4S181 V183 L222 I230 I242 I244S181-C216 CarbonylContact O-C 3.56Å; S181-C216 WeakPolarHBondContact O-CA 3.48Å; V183-C216 HydrophobicContact CG2-CB 3.73Å; C216-L222 HydrophobicContact CB-CD1 3.53Å; C216-L222 HydrophobicContact CB-CG 4.44Å; C216-I230 VanDerWaalsContact SG-CD1 3.59Å; C216-I242 PolarHBondContact N-O 3.29Å; C216-I244 PolarHBondContact O-N 2.99Å
217R96.8Very high96.8Very high84 Ų8445.3 Ų45.332%0.31723%0.233SC..EExtended strand (participates in β ladder)trans-81.5130.4169.9-171.7173.4171.8-138.6-9.5110.2I14 S181 V183 I244 D246I14-R217 HydrophobicContact CD1-CB 4.37Å; I14-R217 HydrophobicContact CG1-CB 4.06Å; I14-R217 WeakPolarHBondContact O-CD 3.48Å; I14-R217 PolarHBondContact O-NH1 3.23Å; S181-R217 PolarHBondContact O-N 2.98Å; V183-R217 PolarHBondContact N-O 3.14Å; R217-I244 CarbonylContact C-O 3.59Å; R217-I244 VanDerWaalsContact CA-O 3.23Å; R217-I244 WeakPolarHBondContact CA-O 3.36Å; R217-D246 IonicContact CZ-OD1 3.15Å; R217-D246 IonicContact NE-OD1 2.82Å; R217-D246 IonicContact NH2-OD1 2.69Å; R217-D246 PolarHBondContact NH2-OD1 2.82Å
218S95.6Very high96.8Very high4 Ų449.5 Ų49.53%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-143.9170.9179.752.90000111.2T220 I244 H245 D246S218-T220 WeakPolarHBondContact CB-O 3.48Å; S218-T220 PolarHBondContact OG-O 3.24Å; S218-I244 PolarHBondContact N-O 3.3Å; S218-H245 CarbonylContact O-C 3.43Å; S218-H245 WeakPolarHBondContact O-CA 3.22Å; S218-D246 PolarHBondContact O-N 2.89Å
219R94.9Very high96.9Very high165 Ų16552.8 Ų52.862%0.62326%0.262SS*.SBendtrans-76.1-44172.4178.1-179.3154.2-172.7-6.9111.5
220T95.8Very high96.9Very high44 Ų4452.8 Ų52.827%0.2726%0.262SS..SBendtrans-112.9159-179.661.80000110.8E185 Q192 S218 L222E185-T220 PolarHBondContact OE2-OG1 3.03Å; Q192-T220 PolarHBondContact NE2-OG1 2.98Å; S218-T220 WeakPolarHBondContact CB-O 3.48Å; S218-T220 PolarHBondContact OG-O 3.24Å; T220-L222 PolarHBondContact O-N 2.62Å
221P97.1Very high97Very high76 Ų7646.7 Ų46.749%0.49424%0.24SC..PPolyproline II helixtrans-53.7138.3173.5-2533.4000111.9Q192 L223Q192-P221 PolarHBondContact NE2-O 2.93Å; P221-L223 PolarHBondContact O-N 2.95Å
222L97.3Very high97Very high17 Ų1752.9 Ų52.99%0.08927%0.269CS..PPolyproline II helixtrans-64135.4179.2-66.9-171.1000111.7V183 C216 T220 T226 K227 I230 V241 S243V183-L222 HydrophobicContact CB-CD2 4.12Å; V183-L222 HydrophobicContact CG1-CD2 3.91Å; V183-L222 HydrophobicContact CG2-CD2 4.3Å; C216-L222 HydrophobicContact CB-CD1 3.53Å; C216-L222 HydrophobicContact CB-CG 4.44Å; T220-L222 PolarHBondContact O-N 2.62Å; L222-T226 HydrophobicContact CD2-CG2 4.05Å; L222-K227 HydrophobicContact CB-CG 3.98Å; L222-K227 HydrophobicContact CD1-CG 4.1Å; L222-I230 HydrophobicContact CD1-CD1 4.34Å; L222-V241 HydrophobicContact CD1-CG1 4.31Å; L222-S243 PolarHBondContact N-OG 2.86Å
223L97.2Very high97.1Very high99 Ų9955.8 Ų55.852%0.51828%0.281SS..PPolyproline II helixtrans-67.7149.6169.8-55.8172.9000110.3P221 S225 T226 K227P221-L223 PolarHBondContact O-N 2.95Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3Å; L223-T226 WeakPolarHBondContact O-CA 3.2Å; L223-T226 VanDerWaalsContact O-CB 3.28Å; L223-T226 WeakPolarHBondContact O-CB 3.39Å; L223-T226 PolarHBondContact O-N 3.46Å; L223-K227 PolarHBondContact O-N 3.45Å
224S96.7Very high97Very high92 Ų9255.8 Ų55.864%0.64328%0.281SS*.Hα-helixtrans-56.9-42.5176.4-51.80000111.9T226 K227 E228S224-T226 VanDerWaalsContact C-N 3.28Å; S224-T226 PolarHBondContact O-N 2.86Å; S224-K227 WeakPolarHBondContact O-CB 3Å; S224-K227 PolarHBondContact O-N 2.64Å; S224-K227 VanDerWaalsContact O-N 3.13Å; S224-E228 WeakPolarHBondContact O-CG 3.36Å; S224-E228 PolarHBondContact O-N 3.13Å
225S96.7Very high97Very high76 Ų7662.7 Ų62.753%0.53131%0.313SS..Hα-helixtrans-61.7-34.7175.257.10000112.9L223 K229L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3Å; S225-K229 VanDerWaalsContact O-CB 3.25Å; S225-K229 WeakPolarHBondContact O-CB 3.39Å; S225-K229 PolarHBondContact O-N 3.34Å
226T97.5Very high96.9Very high8 Ų863.1 Ų63.15%0.04932%0.315CS..Hα-helixtrans-67.3-44.1174.4-57.50000110.6V183 Q192 T194 L222 L223 S224 K229 I230V183-T226 HydrophobicContact CG1-CG2 4.31Å; Q192-T226 HydrophobicContact CB-CG2 3.96Å; Q192-T226 PolarHBondContact OE1-OG1 3.32Å; T194-T226 HydrophobicContact CG2-CG2 3.41Å; T194-T226 VanDerWaalsContact CG2-CG2 3.41Å; L222-T226 HydrophobicContact CD2-CG2 4.05Å; L223-T226 WeakPolarHBondContact O-CA 3.2Å; L223-T226 VanDerWaalsContact O-CB 3.28Å; L223-T226 WeakPolarHBondContact O-CB 3.39Å; L223-T226 PolarHBondContact O-N 3.46Å; S224-T226 VanDerWaalsContact C-N 3.28Å; S224-T226 PolarHBondContact O-N 2.86Å; T226-K229 PolarHBondContact O-N 3.17Å; T226-I230 HydrophobicContact CG2-CD1 4.26Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 3.29Å
227K97.5Very high96.7Very high49 Ų4969.1 Ų69.121%0.21334%0.343CS..Hα-helixtrans-61.9-48.7175.8-71.3-168.3172-158.40111.8L222 L223 S224 K229 I230 S231 V241 Q260L222-K227 HydrophobicContact CB-CG 3.98Å; L222-K227 HydrophobicContact CD1-CG 4.1Å; L223-K227 PolarHBondContact O-N 3.45Å; S224-K227 WeakPolarHBondContact O-CB 3Å; S224-K227 PolarHBondContact O-N 2.64Å; S224-K227 VanDerWaalsContact O-N 3.13Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K229 PolarHBondContact O-N 3.05Å; K227-I230 PolarHBondContact O-N 3.25Å; K227-I230 VanDerWaalsContact O-N 3.15Å; K227-S231 WeakPolarHBondContact O-CB 3.45Å; K227-S231 PolarHBondContact O-N 3.11Å; K227-V241 HydrophobicContact CB-CB 4.41Å; K227-V241 HydrophobicContact CB-CG1 4.3Å; K227-V241 WeakPolarHBondContact CE-O 3.21Å; K227-V241 HydrophobicContact CG-CB 4.45Å; K227-V241 HydrophobicContact CG-CG1 4.1Å; K227-V241 PolarHBondContact NZ-O 3.45Å; K227-V241 VanDerWaalsContact NZ-O 3.12Å; K227-Q260 VanDerWaalsContact NZ-OE1 3.14Å
228E97.6Very high96.6Very high121 Ų12167.2 Ų67.257%0.56534%0.342SS*.Hα-helixtrans-57.8-43.2176.4-74.4176.4-165.200111.8S224 I230 S231 H232S224-E228 WeakPolarHBondContact O-CG 3.36Å; S224-E228 PolarHBondContact O-N 3.13Å; E228-I230 PolarHBondContact O-N 3.39Å; E228-S231 WeakPolarHBondContact O-CB 3.49Å; E228-S231 PolarHBondContact O-N 3.11Å; E228-H232 WeakPolarHBondContact O-CB 3.37Å; E228-H232 PolarHBondContact O-N 3.3Å
229K97.4Very high96.5Very high88 Ų8873.7 Ų73.738%0.38337%0.372SS..Hα-helixtrans-61.8-45.2176.2-171.1171.2-177.6174.80111.5T194 S225 T226 K227 F233T194-K229 HydrophobicContact CG2-CD 4.49Å; T194-K229 WeakPolarHBondContact OG1-CD 3.4Å; S225-K229 VanDerWaalsContact O-CB 3.25Å; S225-K229 WeakPolarHBondContact O-CB 3.39Å; S225-K229 PolarHBondContact O-N 3.34Å; T226-K229 PolarHBondContact O-N 3.17Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K229 PolarHBondContact O-N 3.05Å; K229-F233 HydrophobicContact CG-CD2 3.67Å; K229-F233 HydrophobicContact CG-CE2 3.72Å; K229-F233 WeakPolarHBondContact O-CD2 3.15Å; K229-F233 PolarHBondContact O-N 2.6Å
230I98.1Very high96.6Very high0 Ų067 Ų670%035%0.348CS..Hα-helixtrans-63.6-46.6177.2-68.6171.8000110.3V183 T194 T197 I214 C216 L222 T226 K227 E228 H232 F233 C234 V241V183-I230 HydrophobicContact CG2-CD1 3.89Å; T194-I230 HydrophobicContact CG2-CD1 3.87Å; T194-I230 HydrophobicContact CG2-CG1 3.59Å; T197-I230 HydrophobicContact CG2-CG2 4.16Å; I214-I230 HydrophobicContact CD1-CG2 4.21Å; I214-I230 HydrophobicContact CG2-CG2 4.33Å; C216-I230 VanDerWaalsContact SG-CD1 3.59Å; L222-I230 HydrophobicContact CD1-CD1 4.34Å; T226-I230 HydrophobicContact CG2-CD1 4.26Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 3.29Å; K227-I230 PolarHBondContact O-N 3.25Å; K227-I230 VanDerWaalsContact O-N 3.15Å; E228-I230 PolarHBondContact O-N 3.39Å; I230-H232 PolarHBondContact O-N 2.87Å; I230-F233 PolarHBondContact O-N 2.75Å; I230-C234 HydrophobicContact CG2-CB 4.49Å; I230-C234 WeakPolarHBondContact O-CA 3.43Å; I230-C234 WeakPolarHBondContact O-CB 3.48Å; I230-C234 PolarHBondContact O-N 3.09Å; I230-C234 PolarHBondContact O-SG 3.18Å; I230-V241 HydrophobicContact CB-CG1 4.08Å; I230-V241 HydrophobicContact CB-CG2 4.3Å; I230-V241 HydrophobicContact CD1-CG1 4.24Å; I230-V241 HydrophobicContact CG2-CG1 3.86Å; I230-V241 HydrophobicContact CG2-CG2 3.9Å
231S97.2Very high96.7Very high16 Ų1664.9 Ų64.911%0.11234%0.335CS..Hα-helixtrans-51.3-55.8175.4156.40000111K227 E228 F233 C234 H235 V236K227-S231 WeakPolarHBondContact O-CB 3.45Å; K227-S231 PolarHBondContact O-N 3.11Å; E228-S231 WeakPolarHBondContact O-CB 3.49Å; E228-S231 PolarHBondContact O-N 3.11Å; S231-F233 PolarHBondContact O-N 2.92Å; S231-C234 PolarHBondContact O-N 2.96Å; S231-H235 PolarHBondContact O-N 2.9Å; S231-V236 CarbonylContact C-O 3.42Å; S231-V236 WeakPolarHBondContact CA-O 3.3Å; S231-V236 WeakPolarHBondContact CB-O 3.4Å; S231-V236 PolarHBondContact O-N 3.38Å; S231-V236 PolarHBondContact OG-O 3.1Å
232H96.9Very high96.7Very high139 Ų13961.3 Ų61.364%0.64431%0.312SS*.Hα-helixtrans-59.9-47.2-178.6-173.273.1000113E228 I230 H235E228-H232 WeakPolarHBondContact O-CB 3.37Å; E228-H232 PolarHBondContact O-N 3.3Å; I230-H232 PolarHBondContact O-N 2.87Å; H232-H235 PolarHBondContact O-CD2 3.11Å
233F97Very high96.7Very high90 Ų9061 Ų6140%0.39531%0.31SS..Hα-helixtrans-81.5-19.2-176.2-74.8-67.9000114.3Q198 K229 I230 S231Q198-F233 HydrophobicContact CG-CB 3.67Å; Q198-F233 HydrophobicContact CG-CG 4.24Å; K229-F233 HydrophobicContact CG-CD2 3.67Å; K229-F233 HydrophobicContact CG-CE2 3.72Å; K229-F233 WeakPolarHBondContact O-CD2 3.15Å; K229-F233 PolarHBondContact O-N 2.6Å; I230-F233 PolarHBondContact O-N 2.75Å; S231-F233 PolarHBondContact O-N 2.92Å
234C97.2Very high96.7Very high2 Ų256.6 Ų56.61%0.01429%0.287CS..Hα-helixtrans-103.2-3.7-179.4-540000113.5A201 R205 I214 I230 S231A201-C234 HydrophobicContact CB-CB 4.05Å; R205-C234 PolarHBondContact NH1-O 3.5Å; I214-C234 HydrophobicContact CD1-CB 3.25Å; I230-C234 HydrophobicContact CG2-CB 4.49Å; I230-C234 WeakPolarHBondContact O-CA 3.43Å; I230-C234 WeakPolarHBondContact O-CB 3.48Å; I230-C234 PolarHBondContact O-N 3.09Å; I230-C234 PolarHBondContact O-SG 3.18Å; S231-C234 PolarHBondContact O-N 2.96Å
235H95.9Very high96.7Very high145 Ų14555 Ų5567%0.67127%0.269SS*.THydrogen-bonded Turntrans61.647.9178.4-49.3161.8000112.9S231 H232S231-H235 PolarHBondContact O-N 2.9Å; H232-H235 PolarHBondContact O-CD2 3.11Å
236V96.1Very high96.6Very high11 Ų1155.1 Ų55.17%0.06727%0.265CS..  trans-131154.9171.6-61.60000108.7P211 I214 S231 Q240 V241P211-V236 WeakPolarHBondContact O-CG1 3.48Å; I214-V236 HydrophobicContact CD1-CG1 4.25Å; I214-V236 HydrophobicContact CD1-CG2 3.8Å; I214-V236 HydrophobicContact CG1-CG1 4.48Å; I214-V236 HydrophobicContact CG1-CG2 4.28Å; S231-V236 CarbonylContact C-O 3.42Å; S231-V236 WeakPolarHBondContact CA-O 3.3Å; S231-V236 WeakPolarHBondContact CB-O 3.4Å; S231-V236 PolarHBondContact O-N 3.38Å; S231-V236 PolarHBondContact OG-O 3.1Å; V236-Q240 HydrophobicContact CB-CB 4.05Å; V236-Q240 HydrophobicContact CG2-CB 4.36Å; V236-V241 HydrophobicContact CG2-CG2 3.85Å
237E94.8Very high96.5Very high125 Ų12556.9 Ų56.958%0.58428%0.275SS*.  trans-66.4154.2172.6-61.3-61.2159.800111.3E239 Q240E237-E239 WeakPolarHBondContact CB-OE2 3.47Å; E237-E239 PolarHBondContact O-N 3.3Å; E237-Q240 HydrophobicContact CB-CG 4.4Å; E237-Q240 WeakPolarHBondContact O-CB 3.42Å; E237-Q240 PolarHBondContact O-N 2.9Å
238P94.1Very high96.2Very high45 Ų4558.2 Ų58.229%0.29229%0.29SS..G310 helixtrans-55.7-34.8-179.7-2736.4000114.4Q240 V241P238-Q240 PolarHBondContact O-N 2.81Å; P238-V241 PolarHBondContact O-N 2.8Å; P238-V241 VanDerWaalsContact O-N 3.13Å
239E93.8Very high95.9Very high140 Ų14052.9 Ų52.965%0.65427%0.266SS*.G310 helixtrans-67.9-21.2179.6-59.974.2-160.800112.4E237 V241 I242E237-E239 WeakPolarHBondContact CB-OE2 3.47Å; E237-E239 PolarHBondContact O-N 3.3Å; E239-V241 VanDerWaalsContact C-N 3.29Å; E239-I242 WeakPolarHBondContact O-CD1 3.47Å
240Q96.4Very high95.7Very high24 Ų2452 Ų5211%0.11227%0.265CS..G310 helixtrans-84.6-4.4177.2-61.9170.7-62.400112.4E212 I214 V236 E237 P238 F265E212-Q240 WeakPolarHBondContact O-CB 3.28Å; E212-Q240 VanDerWaalsContact O-CD 3.29Å; E212-Q240 WeakPolarHBondContact O-CG 3.48Å; E212-Q240 PolarHBondContact O-NE2 3.25Å; I214-Q240 PolarHBondContact N-O 3.25Å; V236-Q240 HydrophobicContact CB-CB 4.05Å; V236-Q240 HydrophobicContact CG2-CB 4.36Å; E237-Q240 HydrophobicContact CB-CG 4.4Å; E237-Q240 WeakPolarHBondContact O-CB 3.42Å; E237-Q240 PolarHBondContact O-N 2.9Å; P238-Q240 PolarHBondContact O-N 2.81Å; Q240-F265 HydrophobicContact CG-CD1 4.41Å; Q240-F265 HydrophobicContact CG-CD2 4.37Å; Q240-F265 HydrophobicContact CG-CE1 4.4Å; Q240-F265 HydrophobicContact CG-CE2 4.37Å; Q240-F265 HydrophobicContact CG-CG 4.41Å; Q240-F265 HydrophobicContact CG-CZ 4.41Å
241V97.6Very high95.6Very high0 Ų052.6 Ų52.60%027%0.267CS..EExtended strand (participates in β ladder)trans-96.4100.5175.7-172.80000110.2L222 K227 I230 V236 P238 E239L222-V241 HydrophobicContact CD1-CG1 4.31Å; K227-V241 HydrophobicContact CB-CB 4.41Å; K227-V241 HydrophobicContact CB-CG1 4.3Å; K227-V241 WeakPolarHBondContact CE-O 3.21Å; K227-V241 HydrophobicContact CG-CB 4.45Å; K227-V241 HydrophobicContact CG-CG1 4.1Å; K227-V241 PolarHBondContact NZ-O 3.45Å; K227-V241 VanDerWaalsContact NZ-O 3.12Å; I230-V241 HydrophobicContact CB-CG1 4.08Å; I230-V241 HydrophobicContact CB-CG2 4.3Å; I230-V241 HydrophobicContact CD1-CG1 4.24Å; I230-V241 HydrophobicContact CG2-CG1 3.86Å; I230-V241 HydrophobicContact CG2-CG2 3.9Å; V236-V241 HydrophobicContact CG2-CG2 3.85Å; P238-V241 PolarHBondContact O-N 2.8Å; P238-V241 VanDerWaalsContact O-N 3.13Å; E239-V241 VanDerWaalsContact C-N 3.29Å
242I97.7Very high95.5Very high1 Ų155.5 Ų55.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-93.9129-173.9-51.8-53.2000109.9V213 I214 V215 C216 E239 I244 L257 Q260 V262V213-I242 HydrophobicContact CG1-CG1 3.75Å; I214-I242 PolarHBondContact O-N 3.46Å; V215-I242 HydrophobicContact CG2-CB 4.29Å; C216-I242 PolarHBondContact N-O 3.29Å; E239-I242 WeakPolarHBondContact O-CD1 3.47Å; I242-I244 HydrophobicContact CG2-CD1 4.27Å; I242-I244 HydrophobicContact CG2-CG1 4.31Å; I242-L257 HydrophobicContact CG2-CD2 3.83Å; I242-Q260 HydrophobicContact CD1-CB 4.2Å; I242-Q260 HydrophobicContact CG2-CB 4.48Å; I242-V262 HydrophobicContact CD1-CB 3.64Å; I242-V262 HydrophobicContact CD1-CG2 3.75Å; I242-V262 HydrophobicContact CG1-CB 4.1Å; I242-V262 HydrophobicContact CG1-CG2 3.83Å
243S97.6Very high95.4Very high9 Ų949.3 Ų49.36%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-94.9117.9178.3178.30000109.9L222 Q260L222-S243 PolarHBondContact N-OG 2.86Å; S243-Q260 PolarHBondContact O-NE2 3.12Å
244I97Very high95.3Very high7 Ų745 Ų454%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-121.1103.3170.9-60.2-63.5000108I19 V215 C216 R217 S218 I242 I253 M256 L257I19-I244 HydrophobicContact CD1-CB 4.46Å; I19-I244 HydrophobicContact CD1-CG1 3.99Å; I19-I244 HydrophobicContact CD1-CG2 4.18Å; V215-I244 HydrophobicContact CG1-CB 4.36Å; V215-I244 HydrophobicContact CG1-CG1 3.63Å; C216-I244 PolarHBondContact O-N 2.99Å; R217-I244 CarbonylContact C-O 3.59Å; R217-I244 VanDerWaalsContact CA-O 3.23Å; R217-I244 WeakPolarHBondContact CA-O 3.36Å; S218-I244 PolarHBondContact N-O 3.3Å; I242-I244 HydrophobicContact CG2-CD1 4.27Å; I242-I244 HydrophobicContact CG2-CG1 4.31Å; I244-I253 HydrophobicContact CG2-CD1 3.65Å; I244-M256 HydrophobicContact CD1-CB 4.13Å; I244-M256 HydrophobicContact CD1-CE 4.1Å; I244-L257 HydrophobicContact CD1-CD2 3.84Å; I244-L257 HydrophobicContact CD1-CG 4.26Å; I244-L257 HydrophobicContact CG1-CD2 4.42Å
245H96.2Very high95.2Very high58 Ų5845.2 Ų45.227%0.26923%0.229SC..EExtended strand (participates in β ladder)trans-88.5168.4177.459.1-83000111.1S218 V247 M256S218-H245 CarbonylContact O-C 3.43Å; S218-H245 WeakPolarHBondContact O-CA 3.22Å; H245-V247 PolarHBondContact O-N 2.91Å; H245-M256 WeakPolarHBondContact CE1-CE 3.04Å; H245-M256 VanDerWaalsContact ND1-CE 3.3Å; H245-M256 WeakPolarHBondContact ND1-CE 3.43Å
246D95.7Very high95.1Very high80 Ų8039.1 Ų39.143%0.42820%0.201SC..  trans-61.3124.9173.1-71.6-32.3000109.8R217 S218R217-D246 IonicContact CZ-OD1 3.15Å; R217-D246 IonicContact NE-OD1 2.82Å; R217-D246 IonicContact NH2-OD1 2.69Å; R217-D246 PolarHBondContact NH2-OD1 2.82Å; S218-D246 PolarHBondContact O-N 2.89Å
247V94.5Very high95.1Very high45 Ų4538.7 Ų38.727%0.27320%0.199SC..  trans-111.4157.5-178.1-70.80000111.2H245 N249 R252 I253 M256H245-V247 PolarHBondContact O-N 2.91Å; V247-N249 WeakPolarHBondContact CG2-O 3.12Å; V247-N249 PolarHBondContact O-N 3.36Å; V247-R252 HydrophobicContact CB-CB 4.2Å; V247-R252 HydrophobicContact CG1-CB 4.08Å; V247-R252 HydrophobicContact CG2-CB 4.44Å; V247-I253 HydrophobicContact CG1-CD1 4.17Å; V247-I253 HydrophobicContact CG2-CD1 3.58Å; V247-I253 HydrophobicContact CG2-CG1 4.16Å; V247-M256 HydrophobicContact CG1-CE 4.32Å; V247-M256 HydrophobicContact CG1-SD 3.36Å; V247-M256 WeakPolarHBondContact CG1-SD 3.44Å
248S91.1Very high94.9Very high76 Ų7633.8 Ų33.853%0.53118%0.179SC..SBendtrans-59.3-34.517558.60000113E293S248-E293 PolarHBondContact OG-OE1 3.03Å
249N92.5Very high94.9Very high9 Ų938.2 Ų38.25%0.04820%0.196CC..SBendtrans-154.5149.7-179.968.586.6000111.2V247 F251 R252 A289 H292 E293V247-N249 WeakPolarHBondContact CG2-O 3.12Å; V247-N249 PolarHBondContact O-N 3.36Å; N249-F251 HydrophobicContact CB-CD2 4.41Å; N249-F251 PolarHBondContact O-N 3.35Å; N249-F251 VanDerWaalsContact OD1-CB 3.26Å; N249-F251 WeakPolarHBondContact OD1-CB 3.15Å; N249-F251 WeakPolarHBondContact OD1-CD2 3.44Å; N249-F251 PolarHBondContact OD1-N 2.86Å; N249-R252 WeakPolarHBondContact O-CB 3.29Å; N249-R252 PolarHBondContact O-N 2.75Å; N249-R252 PolarHBondContact OD1-N 3.32Å; N249-A289 PolarHBondContact ND2-O 2.9Å; N249-H292 HydrophobicContact CB-CB 4.36Å; N249-E293 PolarHBondContact ND2-OE1 3.19Å
250I93.4Very high94.9Very high70 Ų7033.9 Ų33.936%0.35918%0.176SC..THydrogen-bonded Turntrans-67.2-17.9-175.461.7178.1000113.7V18 F77 R252 I253V18-I250 HydrophobicContact CG1-CB 4.36Å; F77-I250 HydrophobicContact CE2-CD1 3.81Å; F77-I250 HydrophobicContact CE2-CG1 4.46Å; F77-I250 HydrophobicContact CZ-CB 4.31Å; F77-I250 HydrophobicContact CZ-CD1 3.69Å; F77-I250 HydrophobicContact CZ-CG1 3.91Å; I250-R252 PolarHBondContact O-N 2.91Å; I250-I253 WeakPolarHBondContact O-CB 3.48Å; I250-I253 WeakPolarHBondContact O-CG1 3.31Å; I250-I253 PolarHBondContact O-N 2.88Å; I250-I253 VanDerWaalsContact O-N 3.11Å
251F94.3Very high94.4Very high13 Ų1338 Ų386%0.05720%0.198CC..THydrogen-bonded Turntrans-70.4-14.1178.5-44.8-54000112.8N249 I253 W285 L288 A289 H292 L326 P534N249-F251 HydrophobicContact CB-CD2 4.41Å; N249-F251 PolarHBondContact O-N 3.35Å; N249-F251 VanDerWaalsContact OD1-CB 3.26Å; N249-F251 WeakPolarHBondContact OD1-CB 3.15Å; N249-F251 WeakPolarHBondContact OD1-CD2 3.44Å; N249-F251 PolarHBondContact OD1-N 2.86Å; F251-I253 VanDerWaalsContact C-N 3.35Å; F251-W285 HydrophobicContact CB-CE3 4.08Å; F251-W285 HydrophobicContact CB-CZ3 4.29Å; F251-W285 HydrophobicContact CD1-CE3 4.33Å; F251-W285 AromaticContact CD1-CZ3 3.78Å; F251-W285 HydrophobicContact CD1-CZ3 3.78Å; F251-L288 HydrophobicContact CB-CD2 3.97Å; F251-L288 HydrophobicContact CB-CG 4.31Å; F251-L288 HydrophobicContact CD1-CD2 3.34Å; F251-L288 HydrophobicContact CD1-CG 4.23Å; F251-L288 HydrophobicContact CD2-CD2 3.69Å; F251-L288 HydrophobicContact CD2-CG 3.64Å; F251-L288 HydrophobicContact CE1-CD2 3.62Å; F251-L288 HydrophobicContact CE1-CG 4.48Å; F251-L288 HydrophobicContact CE2-CD2 3.93Å; F251-L288 HydrophobicContact CE2-CG 3.91Å; F251-L288 HydrophobicContact CG-CD2 3.38Å; F251-L288 HydrophobicContact CG-CG 3.8Å; F251-L288 HydrophobicContact CZ-CD2 3.9Å; F251-L288 HydrophobicContact CZ-CG 4.32Å; F251-A289 HydrophobicContact CB-CB 4.06Å; F251-H292 HydrophobicContact CD2-CB 4.47Å; F251-H292 AromaticContact CE2-CD2 3.96Å; F251-L326 HydrophobicContact CE2-CD2 4.28Å; F251-P534 HydrophobicContact CE1-CB 3.93Å; F251-P534 HydrophobicContact CE1-CG 3.6Å; F251-P534 HydrophobicContact CZ-CB 4.04Å; F251-P534 HydrophobicContact CZ-CG 4.02Å
252R95.4Very high93.8Very high77 Ų7738.2 Ų38.229%0.29120%0.2SC..Hα-helixtrans-71-26.7170-70.6-70.7-170.5170.5-1.3113.2V247 N249 I250 L255 M256 A289 E293V247-R252 HydrophobicContact CB-CB 4.2Å; V247-R252 HydrophobicContact CG1-CB 4.08Å; V247-R252 HydrophobicContact CG2-CB 4.44Å; N249-R252 WeakPolarHBondContact O-CB 3.29Å; N249-R252 PolarHBondContact O-N 2.75Å; N249-R252 PolarHBondContact OD1-N 3.32Å; I250-R252 PolarHBondContact O-N 2.91Å; R252-L255 WeakPolarHBondContact O-CB 3.39Å; R252-L255 PolarHBondContact O-N 3.04Å; R252-L255 VanDerWaalsContact O-N 3.11Å; R252-M256 WeakPolarHBondContact O-CG 3.39Å; R252-M256 PolarHBondContact O-N 3.28Å; R252-A289 HydrophobicContact CG-CB 4.1Å; R252-E293 IonicContact CZ-OE1 2.92Å; R252-E293 IonicContact CZ-OE2 2.71Å; R252-E293 IonicContact NE-OE1 3.09Å; R252-E293 PolarHBondContact NE-OE1 3.07Å; R252-E293 IonicContact NE-OE2 2.89Å; R252-E293 VanDerWaalsContact NH2-CD 3.32Å; R252-E293 IonicContact NH2-OE1 3.87Å; R252-E293 PolarHBondContact NH2-OE1 3.29Å; R252-E293 IonicContact NH2-OE2 2.84Å; R252-E293 PolarHBondContact NH2-OE2 2.76Å
253I95.8Very high93.5Very high8 Ų838.5 Ų38.54%0.04120%0.201CC..Hα-helixtrans-62.4-46.5-170.9-56.5-60.6000112.7V18 I19 S22 I244 V247 I250 F251 L255 M256 L257V18-I253 HydrophobicContact CG1-CB 4.28Å; V18-I253 HydrophobicContact CG1-CG1 4.01Å; V18-I253 HydrophobicContact CG1-CG2 4.31Å; I19-I253 HydrophobicContact CD1-CG2 3.9Å; S22-I253 WeakPolarHBondContact OG-CG2 3.5Å; I244-I253 HydrophobicContact CG2-CD1 3.65Å; V247-I253 HydrophobicContact CG1-CD1 4.17Å; V247-I253 HydrophobicContact CG2-CD1 3.58Å; V247-I253 HydrophobicContact CG2-CG1 4.16Å; I250-I253 WeakPolarHBondContact O-CB 3.48Å; I250-I253 WeakPolarHBondContact O-CG1 3.31Å; I250-I253 PolarHBondContact O-N 2.88Å; I250-I253 VanDerWaalsContact O-N 3.11Å; F251-I253 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 3.17Å; I253-M256 HydrophobicContact CD1-SD 4.21Å; I253-M256 PolarHBondContact O-N 3.46Å; I253-L257 HydrophobicContact CG2-CD1 4.32Å; I253-L257 HydrophobicContact CG2-CG 4.45Å; I253-L257 WeakPolarHBondContact O-CG 3.36Å; I253-L257 PolarHBondContact O-N 3.28Å
254P94.5Very high93Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-58-37174.2-24.233.6000113.2S22 V25 V26 F77 L257 A258 W285S22-P254 WeakPolarHBondContact OG-CD 3.39Å; V25-P254 HydrophobicContact CB-CB 4.17Å; V25-P254 HydrophobicContact CB-CG 4.25Å; V25-P254 HydrophobicContact CG1-CB 3.8Å; V25-P254 HydrophobicContact CG1-CG 4.14Å; V25-P254 HydrophobicContact CG2-CG 4.44Å; V26-P254 HydrophobicContact CG2-CB 4.21Å; V26-P254 WeakPolarHBondContact CG2-O 3.41Å; F77-P254 HydrophobicContact CE1-CG 4.38Å; P254-L257 PolarHBondContact O-N 2.77Å; P254-A258 WeakPolarHBondContact O-CB 3.16Å; P254-A258 PolarHBondContact O-N 3.3Å; P254-W285 HydrophobicContact CB-CE3 4.5Å; P254-W285 HydrophobicContact CG-CD2 4.24Å; P254-W285 HydrophobicContact CG-CE3 3.74Å; P254-W285 HydrophobicContact CG-CZ3 3.87Å
255L94.6Very high92.7Very high6 Ų646.9 Ų46.93%0.03124%0.238CC..Hα-helixtrans-67-45.6178.5-52.1174.8000111R252 I253 L257 A258 E259 L282 W285 R286 A289R252-L255 WeakPolarHBondContact O-CB 3.39Å; R252-L255 PolarHBondContact O-N 3.04Å; R252-L255 VanDerWaalsContact O-N 3.11Å; I253-L255 PolarHBondContact O-N 3.17Å; L255-L257 VanDerWaalsContact C-N 3.31Å; L255-L257 PolarHBondContact O-N 3.34Å; L255-A258 PolarHBondContact O-N 2.98Å; L255-E259 VanDerWaalsContact O-CG 3.31Å; L255-E259 WeakPolarHBondContact O-CG 3.49Å; L255-E259 PolarHBondContact O-N 3.41Å; L255-L282 HydrophobicContact CD2-CB 3.88Å; L255-L282 HydrophobicContact CD2-CD1 4.2Å; L255-W285 HydrophobicContact CD2-CB 4.07Å; L255-R286 HydrophobicContact CD1-CB 4.31Å; L255-R286 HydrophobicContact CD2-CB 4.32Å; L255-A289 HydrophobicContact CD1-CB 4.1Å
256M94.9Very high92.6Very high18 Ų1844.2 Ų44.29%0.08923%0.226CC..Hα-helixtrans-63.9-34.6177.7-70174.56500113.2I244 H245 V247 R252 I253 Q260I244-M256 HydrophobicContact CD1-CB 4.13Å; I244-M256 HydrophobicContact CD1-CE 4.1Å; H245-M256 WeakPolarHBondContact CE1-CE 3.04Å; H245-M256 VanDerWaalsContact ND1-CE 3.3Å; H245-M256 WeakPolarHBondContact ND1-CE 3.43Å; V247-M256 HydrophobicContact CG1-CE 4.32Å; V247-M256 HydrophobicContact CG1-SD 3.36Å; V247-M256 WeakPolarHBondContact CG1-SD 3.44Å; R252-M256 WeakPolarHBondContact O-CG 3.39Å; R252-M256 PolarHBondContact O-N 3.28Å; I253-M256 HydrophobicContact CD1-SD 4.21Å; I253-M256 PolarHBondContact O-N 3.46Å; M256-Q260 PolarHBondContact O-N 2.82Å; M256-Q260 PolarHBondContact O-NE2 3.24Å
257L94.6Very high92.5Very high2 Ų240.9 Ų40.91%0.0121%0.208CC..Hα-helixtrans-68.5-42.9174.1-69175.6000110.6I23 I242 I244 I253 P254 L255 Q260 F263I23-L257 HydrophobicContact CG1-CD1 4.12Å; I242-L257 HydrophobicContact CG2-CD2 3.83Å; I244-L257 HydrophobicContact CD1-CD2 3.84Å; I244-L257 HydrophobicContact CD1-CG 4.26Å; I244-L257 HydrophobicContact CG1-CD2 4.42Å; I253-L257 HydrophobicContact CG2-CD1 4.32Å; I253-L257 HydrophobicContact CG2-CG 4.45Å; I253-L257 WeakPolarHBondContact O-CG 3.36Å; I253-L257 PolarHBondContact O-N 3.28Å; P254-L257 PolarHBondContact O-N 2.77Å; L255-L257 VanDerWaalsContact C-N 3.31Å; L255-L257 PolarHBondContact O-N 3.34Å; L257-Q260 PolarHBondContact O-N 3.11Å; L257-F263 HydrophobicContact CB-CE2 3.64Å; L257-F263 HydrophobicContact CB-CZ 3.96Å; L257-F263 HydrophobicContact CD1-CZ 4.43Å
258A92Very high92.5Very high21 Ų2143.7 Ų43.717%0.17422%0.221CC..Hα-helixtrans-63.3-41.2177.500000111.9V26 P254 L255 Q260 N261 L282V26-A258 HydrophobicContact CG1-CB 4.37Å; V26-A258 HydrophobicContact CG2-CB 4.35Å; P254-A258 WeakPolarHBondContact O-CB 3.16Å; P254-A258 PolarHBondContact O-N 3.3Å; L255-A258 PolarHBondContact O-N 2.98Å; A258-Q260 VanDerWaalsContact C-N 3.27Å; A258-Q260 PolarHBondContact O-N 3.42Å; A258-N261 PolarHBondContact O-N 3.35Å; A258-L282 HydrophobicContact CB-CD1 3.71Å
259E92.6Very high92.6Very high138 Ų13842 Ų4265%0.64520%0.203SC*.Hα-helixtrans-65.1-25.8178.7-74.7168.8-169.900113.8L255 N261L255-E259 VanDerWaalsContact O-CG 3.31Å; L255-E259 WeakPolarHBondContact O-CG 3.49Å; L255-E259 PolarHBondContact O-N 3.41Å; E259-N261 VanDerWaalsContact C-N 3.32Å
260Q94.1Very high92.8Very high49 Ų4941.5 Ų41.523%0.22920%0.201CC..THydrogen-bonded Turntrans-897.4179.2-73.7-17991.700113.8K227 I242 S243 M256 L257 A258 V262K227-Q260 VanDerWaalsContact NZ-OE1 3.14Å; I242-Q260 HydrophobicContact CD1-CB 4.2Å; I242-Q260 HydrophobicContact CG2-CB 4.48Å; S243-Q260 PolarHBondContact O-NE2 3.12Å; M256-Q260 PolarHBondContact O-N 2.82Å; M256-Q260 PolarHBondContact O-NE2 3.24Å; L257-Q260 PolarHBondContact O-N 3.11Å; A258-Q260 VanDerWaalsContact C-N 3.27Å; A258-Q260 PolarHBondContact O-N 3.42Å; Q260-V262 PolarHBondContact O-N 3.38Å
261N85.6Confident92.9Very high110 Ų11044.7 Ų44.759%0.58821%0.214SC*.THydrogen-bonded Turntrans5420.6174.5-60.8-42.4000115.7A258 E259 F263 E264A258-N261 PolarHBondContact O-N 3.35Å; E259-N261 VanDerWaalsContact C-N 3.32Å; N261-F263 PolarHBondContact O-N 2.85Å; N261-F263 VanDerWaalsContact O-N 3.15Å; N261-E264 PolarHBondContact O-N 3.02Å
262V86.6Confident92.8Very high6 Ų645.3 Ų45.34%0.03622%0.218CC..Hα-helixtrans-61.4-27.3179.770.10000112.5V213 I242 Q260 F265 L266V213-V262 HydrophobicContact CB-CG2 4.44Å; V213-V262 HydrophobicContact CG1-CG2 3.7Å; V213-V262 HydrophobicContact CG2-CG2 3.8Å; I242-V262 HydrophobicContact CD1-CB 3.64Å; I242-V262 HydrophobicContact CD1-CG2 3.75Å; I242-V262 HydrophobicContact CG1-CB 4.1Å; I242-V262 HydrophobicContact CG1-CG2 3.83Å; Q260-V262 PolarHBondContact O-N 3.38Å; V262-F265 WeakPolarHBondContact O-CB 3.35Å; V262-F265 PolarHBondContact O-N 2.95Å; V262-L266 HydrophobicContact CG2-CD1 4.38Å; V262-L266 HydrophobicContact CG2-CG 4.44Å; V262-L266 WeakPolarHBondContact O-CG 3.3Å; V262-L266 PolarHBondContact O-N 3.34Å
263F89.8Confident92.3Very high7 Ų749.7 Ų49.73%0.03125%0.247CC..Hα-helixtrans-73.2-30-176.5-63.1-81.3000113.1I23 V26 V27 L257 N261 F265 L266 F267I23-F263 HydrophobicContact CB-CE1 4.41Å; I23-F263 HydrophobicContact CG1-CE1 4.5Å; I23-F263 HydrophobicContact CG1-CZ 4.46Å; I23-F263 HydrophobicContact CG2-CE1 4.11Å; V26-F263 HydrophobicContact CB-CD1 4.16Å; V26-F263 HydrophobicContact CB-CD2 4.09Å; V26-F263 HydrophobicContact CB-CE1 3.63Å; V26-F263 HydrophobicContact CB-CE2 3.54Å; V26-F263 HydrophobicContact CB-CG 4.37Å; V26-F263 HydrophobicContact CB-CZ 3.3Å; V26-F263 HydrophobicContact CG1-CD1 3.88Å; V26-F263 HydrophobicContact CG1-CD2 3.38Å; V26-F263 HydrophobicContact CG1-CE1 3.85Å; V26-F263 HydrophobicContact CG1-CE2 3.33Å; V26-F263 HydrophobicContact CG1-CG 3.66Å; V26-F263 HydrophobicContact CG1-CZ 3.61Å; V26-F263 HydrophobicContact CG2-CE1 4.42Å; V26-F263 HydrophobicContact CG2-CE2 3.66Å; V26-F263 HydrophobicContact CG2-CZ 3.61Å; V27-F263 HydrophobicContact CG2-CD1 4.44Å; V27-F263 HydrophobicContact CG2-CE1 4.37Å; L257-F263 HydrophobicContact CB-CE2 3.64Å; L257-F263 HydrophobicContact CB-CZ 3.96Å; L257-F263 HydrophobicContact CD1-CZ 4.43Å; N261-F263 PolarHBondContact O-N 2.85Å; N261-F263 VanDerWaalsContact O-N 3.15Å; F263-F265 VanDerWaalsContact C-N 3.31Å; F263-F265 PolarHBondContact O-N 3.18Å; F263-L266 HydrophobicContact CD1-CD1 4.14Å; F263-L266 HydrophobicContact CE1-CD1 4.36Å; F263-L266 PolarHBondContact O-N 3.03Å; F263-F267 HydrophobicContact CB-CD2 4.23Å; F263-F267 HydrophobicContact CB-CE2 3.7Å; F263-F267 HydrophobicContact CB-CZ 4.02Å; F263-F267 HydrophobicContact CD1-CZ 4.29Å; F263-F267 WeakPolarHBondContact O-CB 3.4Å; F263-F267 WeakPolarHBondContact O-CD2 3.41Å; F263-F267 WeakPolarHBondContact O-CG 3.48Å; F263-F267 PolarHBondContact O-N 2.74Å
264E87.7Confident91.8Very high130 Ų13051.6 Ų51.661%0.60726%0.259SS*.Hα-helixtrans-61.4-45172.4-173.2175.4-179.200110.2N261 N268N261-E264 PolarHBondContact O-N 3.02Å; E264-N268 VanDerWaalsContact O-CB 3.31Å; E264-N268 WeakPolarHBondContact O-CB 3.45Å; E264-N268 PolarHBondContact O-N 3.11Å; E264-N268 PolarHBondContact O-ND2 3.47Å; E264-N268 VanDerWaalsContact O-ND2 3.16Å
265F91.4Very high91Very high61 Ų6155.1 Ų55.127%0.26828%0.284SS..Hα-helixtrans-59.8-49.9172168.4-97.4000111.9E212 V213 Q240 V262 F263 F267 N268 R269E212-F265 HydrophobicContact CB-CE1 4.16Å; E212-F265 HydrophobicContact CB-CZ 4.19Å; V213-F265 HydrophobicContact CG2-CD1 3.85Å; V213-F265 HydrophobicContact CG2-CE1 3.81Å; Q240-F265 HydrophobicContact CG-CD1 4.41Å; Q240-F265 HydrophobicContact CG-CD2 4.37Å; Q240-F265 HydrophobicContact CG-CE1 4.4Å; Q240-F265 HydrophobicContact CG-CE2 4.37Å; Q240-F265 HydrophobicContact CG-CG 4.41Å; Q240-F265 HydrophobicContact CG-CZ 4.41Å; V262-F265 WeakPolarHBondContact O-CB 3.35Å; V262-F265 PolarHBondContact O-N 2.95Å; F263-F265 VanDerWaalsContact C-N 3.31Å; F263-F265 PolarHBondContact O-N 3.18Å; F265-F267 PolarHBondContact O-N 2.96Å; F265-N268 PolarHBondContact O-N 2.65Å; F265-R269 HydrophobicContact CE1-CB 4.28Å; F265-R269 HydrophobicContact CE1-CG 4.45Å; F265-R269 HydrophobicContact CE2-CB 4.3Å; F265-R269 HydrophobicContact CZ-CB 4Å; F265-R269 HydrophobicContact CZ-CG 4.06Å; F265-R269 WeakPolarHBondContact O-CB 3.02Å; F265-R269 PolarHBondContact O-N 3.04Å
266L94Very high90.1Very high3 Ų364.1 Ų64.12%0.01632%0.322CS..Hα-helixtrans-61.5-44.2-177.4-71.1174000112.2V176 V213 V262 F263 R269 L270V176-L266 HydrophobicContact CG1-CD2 4.08Å; V176-L266 HydrophobicContact CG2-CD2 3.81Å; V213-L266 HydrophobicContact CG2-CD2 3.85Å; V213-L266 HydrophobicContact CG2-CG 4.42Å; V262-L266 HydrophobicContact CG2-CD1 4.38Å; V262-L266 HydrophobicContact CG2-CG 4.44Å; V262-L266 WeakPolarHBondContact O-CG 3.3Å; V262-L266 PolarHBondContact O-N 3.34Å; F263-L266 HydrophobicContact CD1-CD1 4.14Å; F263-L266 HydrophobicContact CE1-CD1 4.36Å; F263-L266 PolarHBondContact O-N 3.03Å; L266-R269 PolarHBondContact O-N 3.36Å; L266-L270 VanDerWaalsContact O-CB 3.28Å; L266-L270 WeakPolarHBondContact O-CB 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.29Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 3.32Å
267F93.9Very high89.3Confident9 Ų966.9 Ų66.94%0.03933%0.334CS..Hα-helixtrans-67.5-41.6179.5-60.3-35.1000111.8V27 H30 L32 F263 F265 L270 H271 L272 V274V27-F267 HydrophobicContact CG2-CE1 4.19Å; V27-F267 HydrophobicContact CG2-CZ 4.48Å; H30-F267 HydrophobicContact CB-CE2 4.28Å; H30-F267 HydrophobicContact CB-CZ 4.1Å; H30-F267 AromaticContact CD2-CE2 3.51Å; H30-F267 AromaticContact CE1-CE2 3.69Å; H30-F267 AromaticContact CG-CE2 3.61Å; H30-F267 AromaticContact CG-CZ 3.75Å; H30-F267 AromaticContact ND1-CE2 3.73Å; H30-F267 AromaticContact ND1-CZ 3.74Å; H30-F267 AromaticContact NE2-CE2 3.56Å; L32-F267 HydrophobicContact CD1-CE1 4.13Å; F263-F267 HydrophobicContact CB-CD2 4.23Å; F263-F267 HydrophobicContact CB-CE2 3.7Å; F263-F267 HydrophobicContact CB-CZ 4.02Å; F263-F267 HydrophobicContact CD1-CZ 4.29Å; F263-F267 WeakPolarHBondContact O-CB 3.4Å; F263-F267 WeakPolarHBondContact O-CD2 3.41Å; F263-F267 WeakPolarHBondContact O-CG 3.48Å; F263-F267 PolarHBondContact O-N 2.74Å; F265-F267 PolarHBondContact O-N 2.96Å; F267-L270 CarbonylContact O-C 3.55Å; F267-L270 PolarHBondContact O-N 3.21Å; F267-H271 PolarHBondContact O-N 3.43Å; F267-L272 HydrophobicContact CB-CB 4.22Å; F267-L272 HydrophobicContact CD1-CB 4.33Å; F267-L272 HydrophobicContact CD1-CD1 3.88Å; F267-L272 PolarHBondContact O-N 3Å; F267-V274 HydrophobicContact CB-CG1 4.45Å; F267-V274 HydrophobicContact CB-CG2 4.31Å; F267-V274 HydrophobicContact CD1-CG1 3.95Å; F267-V274 HydrophobicContact CD2-CB 4.27Å; F267-V274 HydrophobicContact CD2-CG1 3.88Å; F267-V274 HydrophobicContact CD2-CG2 3.54Å; F267-V274 HydrophobicContact CE1-CG1 4.11Å; F267-V274 HydrophobicContact CE2-CB 4.46Å; F267-V274 HydrophobicContact CE2-CG1 4.04Å; F267-V274 HydrophobicContact CE2-CG2 4.05Å; F267-V274 HydrophobicContact CG-CG1 3.83Å; F267-V274 HydrophobicContact CG-CG2 4.05Å; F267-V274 HydrophobicContact CZ-CG1 4.15Å
268N93.3Very high88.4Confident104 Ų10473 Ų7356%0.55636%0.363SS*.Hα-helixtrans-62.6-46.4173.2-73-25000111.1E264 F265 L270 H271E264-N268 VanDerWaalsContact O-CB 3.31Å; E264-N268 WeakPolarHBondContact O-CB 3.45Å; E264-N268 PolarHBondContact O-N 3.11Å; E264-N268 PolarHBondContact O-ND2 3.47Å; E264-N268 VanDerWaalsContact O-ND2 3.16Å; F265-N268 PolarHBondContact O-N 2.65Å; N268-L270 VanDerWaalsContact C-N 3.25Å; N268-L270 PolarHBondContact O-N 3.31Å; N268-H271 PolarHBondContact O-CD2 3.24Å; N268-H271 VanDerWaalsContact O-CD2 3.24Å; N268-H271 PolarHBondContact O-N 3.18Å; N268-H271 VanDerWaalsContact O-N 3.12Å
269R94.6Very high87.4Confident40 Ų4075.8 Ų75.815%0.15139%0.385CS..Hα-helixtrans-61.8-33.4178.9177.660.7-171.676.312.8112.7R172 F175 V176 E212 F265 L266R172-R269 VanDerWaalsContact CG-NH2 3.26Å; R172-R269 VanDerWaalsContact O-CZ 3.26Å; R172-R269 PolarHBondContact O-NH1 3.13Å; R172-R269 PolarHBondContact O-NH2 3.4Å; F175-R269 PolarHBondContact O-NH2 2.9Å; F175-R269 VanDerWaalsContact O-NH2 3.13Å; V176-R269 HydrophobicContact CG2-CG 4.24Å; E212-R269 IonicContact OE1-CZ 2.91Å; E212-R269 IonicContact OE1-NE 3.96Å; E212-R269 PolarHBondContact OE1-NE 2.98Å; E212-R269 IonicContact OE1-NH2 3.61Å; E212-R269 PolarHBondContact OE1-NH2 3.47Å; F265-R269 HydrophobicContact CE1-CB 4.28Å; F265-R269 HydrophobicContact CE1-CG 4.45Å; F265-R269 HydrophobicContact CE2-CB 4.3Å; F265-R269 HydrophobicContact CZ-CB 4Å; F265-R269 HydrophobicContact CZ-CG 4.06Å; F265-R269 WeakPolarHBondContact O-CB 3.02Å; F265-R269 PolarHBondContact O-N 3.04Å; L266-R269 PolarHBondContact O-N 3.36Å
270L96.3Very high86.8Confident0 Ų073.5 Ų73.50%038%0.381CS..THydrogen-bonded Turntrans-93.34.1179.1-67173.4000113.3K2 I4 E173 V176 L266 F267 N268 L272K2-L270 HydrophobicContact CB-CD1 4.17Å; K2-L270 HydrophobicContact CB-CD2 4.28Å; K2-L270 HydrophobicContact CD-CB 4.26Å; K2-L270 HydrophobicContact CD-CD2 4.47Å; K2-L270 WeakPolarHBondContact CE-O 3.3Å; K2-L270 HydrophobicContact CG-CB 4.34Å; K2-L270 PolarHBondContact NZ-O 3.15Å; I4-L270 HydrophobicContact CG1-CD1 4.27Å; E173-L270 CarbonylContact O-C 3.36Å; E173-L270 WeakPolarHBondContact O-CA 3.47Å; V176-L270 HydrophobicContact CB-CD2 4.12Å; V176-L270 HydrophobicContact CG1-CD1 4.04Å; V176-L270 HydrophobicContact CG1-CD2 4.12Å; V176-L270 HydrophobicContact CG1-CG 4.3Å; L266-L270 VanDerWaalsContact O-CB 3.28Å; L266-L270 WeakPolarHBondContact O-CB 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.29Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 3.32Å; F267-L270 CarbonylContact O-C 3.55Å; F267-L270 PolarHBondContact O-N 3.21Å; N268-L270 VanDerWaalsContact C-N 3.25Å; N268-L270 PolarHBondContact O-N 3.31Å; L270-L272 VanDerWaalsContact C-N 3.26Å; L270-L272 HydrophobicContact CB-CD1 3.88Å; L270-L272 HydrophobicContact CB-CG 4Å; L270-L272 HydrophobicContact CD1-CD1 4.1Å; L270-L272 PolarHBondContact O-N 3.24Å
271H94.9Very high86.3Confident136 Ų13673 Ų7363%0.6339%0.385SS*.THydrogen-bonded Turntrans4946.8-175.1-57.2171.5000112.5F267 N268F267-H271 PolarHBondContact O-N 3.43Å; N268-H271 PolarHBondContact O-CD2 3.24Å; N268-H271 VanDerWaalsContact O-CD2 3.24Å; N268-H271 PolarHBondContact O-N 3.18Å; N268-H271 VanDerWaalsContact O-N 3.12Å
272L91.9Very high86.6Confident26 Ų2668 Ų6814%0.13636%0.358CS..  trans-96.4121.6178.2-75.2168.8000110.2K2 L32 I142 F267 L270 V274K2-L272 HydrophobicContact CG-CD1 4.12Å; K2-L272 HydrophobicContact CG-CD2 3.78Å; K2-L272 HydrophobicContact CG-CG 4.04Å; L32-L272 HydrophobicContact CD1-CD1 4.08Å; I142-L272 HydrophobicContact CD1-CD1 3.45Å; I142-L272 VanDerWaalsContact CD1-CD1 3.45Å; I142-L272 HydrophobicContact CG1-CD1 4.09Å; F267-L272 HydrophobicContact CB-CB 4.22Å; F267-L272 HydrophobicContact CD1-CB 4.33Å; F267-L272 HydrophobicContact CD1-CD1 3.88Å; F267-L272 PolarHBondContact O-N 3Å; L270-L272 VanDerWaalsContact C-N 3.26Å; L270-L272 HydrophobicContact CB-CD1 3.88Å; L270-L272 HydrophobicContact CB-CG 4Å; L270-L272 HydrophobicContact CD1-CD1 4.1Å; L270-L272 PolarHBondContact O-N 3.24Å; L272-V274 HydrophobicContact CB-CG1 4.3Å; L272-V274 PolarHBondContact O-N 3.37Å
273N85.5Confident86.9Confident170 Ų17070.6 Ų70.691%0.90937%0.372SS*.  trans-81.996.5168.9-73.5-23.7000108.6
274V85.7Confident86.9Confident47 Ų4774.4 Ų74.429%0.28539%0.393SS..PPolyproline II helixtrans-95.5149.1176.5-67.40000111H30 L32 F267 L272H30-V274 HydrophobicContact CB-CB 4.31Å; H30-V274 HydrophobicContact CB-CG1 4.29Å; L32-V274 HydrophobicContact CD1-CG1 3.7Å; L32-V274 HydrophobicContact CG-CG1 4.22Å; F267-V274 HydrophobicContact CB-CG1 4.45Å; F267-V274 HydrophobicContact CB-CG2 4.31Å; F267-V274 HydrophobicContact CD1-CG1 3.95Å; F267-V274 HydrophobicContact CD2-CB 4.27Å; F267-V274 HydrophobicContact CD2-CG1 3.88Å; F267-V274 HydrophobicContact CD2-CG2 3.54Å; F267-V274 HydrophobicContact CE1-CG1 4.11Å; F267-V274 HydrophobicContact CE2-CB 4.46Å; F267-V274 HydrophobicContact CE2-CG1 4.04Å; F267-V274 HydrophobicContact CE2-CG2 4.05Å; F267-V274 HydrophobicContact CG-CG1 3.83Å; F267-V274 HydrophobicContact CG-CG2 4.05Å; F267-V274 HydrophobicContact CZ-CG1 4.15Å; L272-V274 HydrophobicContact CB-CG1 4.3Å; L272-V274 PolarHBondContact O-N 3.37Å
275S76.2Confident87.2Confident75 Ų7569.1 Ų69.152%0.52437%0.367SS..PPolyproline II helixtrans-63158.6167.851.50000110.2H30 F277H30-S275 PolarHBondContact O-OG 3.4Å; S275-F277 PolarHBondContact O-N 2.95Å
276K75.8Confident87.4Confident195 Ų19571.2 Ų71.285%0.84837%0.374SS*.PPolyproline II helixtrans-60.3128.6175.4-169.2175.2-177.6178.70109.1E278K276-E278 PolarHBondContact O-N 3.28Å
277F79.1Confident87.3Confident75 Ų7572.8 Ų72.833%0.32938%0.381SS..PPolyproline II helixtrans-60.9118.8177.9-171.6-110.5000110.6A29 H30 S275 A281 L282A29-F277 HydrophobicContact CB-CE2 3.93Å; H30-F277 AromaticContact CD2-CD2 3.81Å; H30-F277 AromaticContact CE1-CD2 3.12Å; H30-F277 WeakPolarHBondContact CE1-CD2 3.18Å; H30-F277 AromaticContact CE1-CE2 3.58Å; H30-F277 AromaticContact CE1-CG 3.93Å; H30-F277 AromaticContact ND1-CD2 3.66Å; H30-F277 AromaticContact ND1-CE2 3.99Å; H30-F277 AromaticContact NE2-CD2 3.22Å; H30-F277 WeakPolarHBondContact NE2-CD2 3.32Å; H30-F277 AromaticContact NE2-CG 3.65Å; S275-F277 PolarHBondContact O-N 2.95Å; F277-A281 HydrophobicContact CE2-CB 4.11Å; F277-A281 HydrophobicContact CZ-CB 4.48Å; F277-L282 HydrophobicContact CE2-CD1 4.44Å; F277-L282 HydrophobicContact CE2-CG 4.4Å; F277-L282 HydrophobicContact CZ-CD1 3.78Å; F277-L282 HydrophobicContact CZ-CG 3.92Å
278E76.1Confident87.2Confident132 Ų13272.8 Ų72.862%0.61738%0.381SS*.PPolyproline II helixtrans-83.1132.1173.9-62.4-170.3169.600109.7K276 T280 A281K276-E278 PolarHBondContact O-N 3.28Å; E278-T280 PolarHBondContact O-N 3.16Å; E278-A281 HydrophobicContact CB-CB 4.4Å; E278-A281 WeakPolarHBondContact O-CB 3.41Å; E278-A281 PolarHBondContact O-N 2.92Å
279A70.6Confident87.3Confident78 Ų7867.8 Ų67.865%0.64535%0.354SS*.THydrogen-bonded Turntrans-58-22.8178.800000113.2R286A279-R286 PolarHBondContact O-NH1 3.21Å
280T79.9Confident87.2Confident90 Ų9068.7 Ų68.755%0.55237%0.367SS*.THydrogen-bonded Turntrans-81.4-14.4176.642.80000113.9E278 L282 N283E278-T280 PolarHBondContact O-N 3.16Å; T280-L282 PolarHBondContact O-N 3.27Å; T280-L282 VanDerWaalsContact O-N 3.14Å; T280-N283 WeakPolarHBondContact O-CB 3.47Å; T280-N283 PolarHBondContact O-N 3.21Å
281A83.4Confident87Confident39 Ų3970.6 Ų70.632%0.32237%0.374SS..THydrogen-bonded Turntrans-63.8-24.3-172.900000113.7A29 F277 E278A29-A281 HydrophobicContact CB-CB 3.87Å; A29-A281 WeakPolarHBondContact O-CB 3.42Å; F277-A281 HydrophobicContact CE2-CB 4.11Å; F277-A281 HydrophobicContact CZ-CB 4.48Å; E278-A281 HydrophobicContact CB-CB 4.4Å; E278-A281 WeakPolarHBondContact O-CB 3.41Å; E278-A281 PolarHBondContact O-N 2.92Å
282L91.6Very high86.8Confident4 Ų467.2 Ų67.22%0.02136%0.358CS..THydrogen-bonded Turntrans-110.420.6174.3-64.3178.3000113V25 V26 A29 L255 A258 F277 T280 D284 W285 R286V25-L282 HydrophobicContact CG1-CD2 3.77Å; V26-L282 HydrophobicContact CG2-CD1 4.26Å; A29-L282 HydrophobicContact CB-CD2 3.67Å; A29-L282 HydrophobicContact CB-CG 4.09Å; L255-L282 HydrophobicContact CD2-CB 3.88Å; L255-L282 HydrophobicContact CD2-CD1 4.2Å; A258-L282 HydrophobicContact CB-CD1 3.71Å; F277-L282 HydrophobicContact CE2-CD1 4.44Å; F277-L282 HydrophobicContact CE2-CG 4.4Å; F277-L282 HydrophobicContact CZ-CD1 3.78Å; F277-L282 HydrophobicContact CZ-CG 3.92Å; T280-L282 PolarHBondContact O-N 3.27Å; T280-L282 VanDerWaalsContact O-N 3.14Å; L282-D284 VanDerWaalsContact C-N 3.32Å; L282-D284 PolarHBondContact O-N 3.36Å; L282-W285 PolarHBondContact O-N 3.33Å; L282-R286 WeakPolarHBondContact O-CB 3.44Å; L282-R286 PolarHBondContact O-N 2.88Å
283N92.9Very high86.8Confident61 Ų6169.7 Ų69.733%0.32637%0.369SS..Hα-helixtrans-64.9-37.1-175.3-162.842.7000112.4T280 W285 R286 Q287T280-N283 WeakPolarHBondContact O-CB 3.47Å; T280-N283 PolarHBondContact O-N 3.21Å; N283-W285 VanDerWaalsContact C-N 3.35Å; N283-W285 PolarHBondContact O-N 3.08Å; N283-R286 PolarHBondContact O-N 2.74Å; N283-Q287 PolarHBondContact ND2-NE2 3.08Å; N283-Q287 WeakPolarHBondContact O-CG 3.43Å; N283-Q287 PolarHBondContact O-N 3.16Å
284D90.9Very high87.1Confident87 Ų8763.8 Ų63.847%0.46534%0.341SS..Hα-helixtrans-61.9-44.5176.2-66.6-19000111L282 R286 Q287 L288 L535L282-D284 VanDerWaalsContact C-N 3.32Å; L282-D284 PolarHBondContact O-N 3.36Å; D284-R286 PolarHBondContact O-N 2.69Å; D284-Q287 PolarHBondContact O-N 3.33Å; D284-L288 VanDerWaalsContact O-CB 3.27Å; D284-L288 WeakPolarHBondContact O-CB 3.38Å; D284-L288 PolarHBondContact O-N 3.31Å; D284-L535 HydrophobicContact CB-CD1 4.43Å; D284-L535 HydrophobicContact CB-CD2 4.01Å
285W93.5Very high87.3Confident20 Ų2068.9 Ų68.98%0.07637%0.367CS..Hα-helixtrans-63.3-40.3174.7-73.289.3000112.7V25 F77 F251 P254 L255 L282 N283 L288 A289V25-W285 HydrophobicContact CB-CZ2 4.4Å; V25-W285 HydrophobicContact CG1-CD2 3.99Å; V25-W285 HydrophobicContact CG1-CG 4.16Å; V25-W285 HydrophobicContact CG1-CZ2 4.01Å; V25-W285 VanDerWaalsContact CG1-NE1 3.31Å; V25-W285 HydrophobicContact CG2-CH2 3.92Å; V25-W285 HydrophobicContact CG2-CZ2 3.44Å; V25-W285 VanDerWaalsContact CG2-CZ2 3.44Å; F77-W285 HydrophobicContact CB-CH2 4.04Å; F77-W285 HydrophobicContact CB-CZ2 4.42Å; F77-W285 AromaticContact CD1-CH2 3.31Å; F77-W285 HydrophobicContact CD1-CH2 3.31Å; F77-W285 HydrophobicContact CD1-CZ2 4.25Å; F77-W285 AromaticContact CD1-CZ3 3.76Å; F77-W285 HydrophobicContact CD1-CZ3 3.76Å; F77-W285 HydrophobicContact CD2-CH2 4.22Å; F77-W285 AromaticContact CE1-CH2 3.68Å; F77-W285 HydrophobicContact CE1-CH2 3.68Å; F77-W285 AromaticContact CE1-CZ3 3.63Å; F77-W285 HydrophobicContact CE1-CZ3 3.63Å; F77-W285 AromaticContact CG-CH2 3.61Å; F77-W285 HydrophobicContact CG-CH2 3.61Å; F77-W285 HydrophobicContact CG-CZ2 4.44Å; F77-W285 HydrophobicContact CG-CZ3 4.4Å; F77-W285 HydrophobicContact CZ-CH2 4.26Å; F77-W285 HydrophobicContact CZ-CZ3 4.17Å; F77-W285 WeakPolarHBondContact O-CZ2 3.41Å; F251-W285 HydrophobicContact CB-CE3 4.08Å; F251-W285 HydrophobicContact CB-CZ3 4.29Å; F251-W285 HydrophobicContact CD1-CE3 4.33Å; F251-W285 AromaticContact CD1-CZ3 3.78Å; F251-W285 HydrophobicContact CD1-CZ3 3.78Å; P254-W285 HydrophobicContact CB-CE3 4.5Å; P254-W285 HydrophobicContact CG-CD2 4.24Å; P254-W285 HydrophobicContact CG-CE3 3.74Å; P254-W285 HydrophobicContact CG-CZ3 3.87Å; L255-W285 HydrophobicContact CD2-CB 4.07Å; L282-W285 PolarHBondContact O-N 3.33Å; N283-W285 VanDerWaalsContact C-N 3.35Å; N283-W285 PolarHBondContact O-N 3.08Å; W285-L288 PolarHBondContact O-N 3.47Å; W285-A289 WeakPolarHBondContact O-CB 3.35Å; W285-A289 PolarHBondContact O-N 2.91Å
286R94.3Very high88.1Confident105 Ų10566.5 Ų66.540%0.39635%0.348SS..Hα-helixtrans-63.4-43175.9-171.3178.7-69.1110.2-1.2111.8L255 A279 L282 N283 D284 S290L255-R286 HydrophobicContact CD1-CB 4.31Å; L255-R286 HydrophobicContact CD2-CB 4.32Å; A279-R286 PolarHBondContact O-NH1 3.21Å; L282-R286 WeakPolarHBondContact O-CB 3.44Å; L282-R286 PolarHBondContact O-N 2.88Å; N283-R286 PolarHBondContact O-N 2.74Å; D284-R286 PolarHBondContact O-N 2.69Å; R286-S290 WeakPolarHBondContact O-CB 3.2Å; R286-S290 PolarHBondContact O-N 3.26Å; R286-S290 PolarHBondContact O-OG 2.78Å
287Q92.9Very high89.1Confident35 Ų3563.8 Ų63.816%0.16434%0.338CS..Hα-helixtrans-67.7-41.2176-71.8-179.442.100111.9N283 D284 S290 R291N283-Q287 PolarHBondContact ND2-NE2 3.08Å; N283-Q287 WeakPolarHBondContact O-CG 3.43Å; N283-Q287 PolarHBondContact O-N 3.16Å; D284-Q287 PolarHBondContact O-N 3.33Å; Q287-S290 WeakPolarHBondContact CA-OG 3.44Å; Q287-S290 PolarHBondContact O-N 2.82Å; Q287-S290 PolarHBondContact O-OG 3.31Å; Q287-S290 VanDerWaalsContact O-OG 3.05Å; Q287-R291 VanDerWaalsContact O-CB 3.3Å; Q287-R291 WeakPolarHBondContact O-CB 3.48Å; Q287-R291 WeakPolarHBondContact O-CG 3.27Å; Q287-R291 PolarHBondContact O-N 3.21Å
288L92.6Very high89.9Confident9 Ų965.4 Ų65.45%0.04735%0.347CS..Hα-helixtrans-61.4-47.9178-169.274.7000110.9F251 D284 W285 R291 H292 L326 P534F251-L288 HydrophobicContact CB-CD2 3.97Å; F251-L288 HydrophobicContact CB-CG 4.31Å; F251-L288 HydrophobicContact CD1-CD2 3.34Å; F251-L288 HydrophobicContact CD1-CG 4.23Å; F251-L288 HydrophobicContact CD2-CD2 3.69Å; F251-L288 HydrophobicContact CD2-CG 3.64Å; F251-L288 HydrophobicContact CE1-CD2 3.62Å; F251-L288 HydrophobicContact CE1-CG 4.48Å; F251-L288 HydrophobicContact CE2-CD2 3.93Å; F251-L288 HydrophobicContact CE2-CG 3.91Å; F251-L288 HydrophobicContact CG-CD2 3.38Å; F251-L288 HydrophobicContact CG-CG 3.8Å; F251-L288 HydrophobicContact CZ-CD2 3.9Å; F251-L288 HydrophobicContact CZ-CG 4.32Å; D284-L288 VanDerWaalsContact O-CB 3.27Å; D284-L288 WeakPolarHBondContact O-CB 3.38Å; D284-L288 PolarHBondContact O-N 3.31Å; W285-L288 PolarHBondContact O-N 3.47Å; L288-R291 PolarHBondContact O-N 3.44Å; L288-H292 WeakPolarHBondContact O-CB 3.31Å; L288-H292 PolarHBondContact O-N 2.82Å; L288-L326 HydrophobicContact CD1-CD2 3.39Å; L288-L326 HydrophobicContact CD1-CG 4.44Å; L288-L326 HydrophobicContact CG-CD2 4.1Å; L288-P534 HydrophobicContact CD1-CB 3.95Å; L288-P534 HydrophobicContact CD2-CB 3.48Å; L288-P534 VanDerWaalsContact CD2-CB 3.48Å; L288-P534 HydrophobicContact CD2-CG 4.32Å; L288-P534 HydrophobicContact CG-CB 4.34Å
289A93.7Very high91Very high0 Ų059.1 Ų59.10%032%0.318CS..Hα-helixtrans-62.7-42.8177.600000112.5N249 F251 R252 L255 W285 E293N249-A289 PolarHBondContact ND2-O 2.9Å; F251-A289 HydrophobicContact CB-CB 4.06Å; R252-A289 HydrophobicContact CG-CB 4.1Å; L255-A289 HydrophobicContact CD1-CB 4.1Å; W285-A289 WeakPolarHBondContact O-CB 3.35Å; W285-A289 PolarHBondContact O-N 2.91Å; A289-E293 WeakPolarHBondContact O-CG 3.32Å; A289-E293 PolarHBondContact O-N 2.71Å
290S93.4Very high92.3Very high59 Ų5959.3 Ų59.341%0.41330%0.304SS..Hα-helixtrans-71.4-38.3-18066.40000112.6R286 Q287 E293 S294R286-S290 WeakPolarHBondContact O-CB 3.2Å; R286-S290 PolarHBondContact O-N 3.26Å; R286-S290 PolarHBondContact O-OG 2.78Å; Q287-S290 WeakPolarHBondContact CA-OG 3.44Å; Q287-S290 PolarHBondContact O-N 2.82Å; Q287-S290 PolarHBondContact O-OG 3.31Å; Q287-S290 VanDerWaalsContact O-OG 3.05Å; S290-E293 PolarHBondContact O-N 3Å; S290-S294 PolarHBondContact O-N 3.3Å; S290-S294 VanDerWaalsContact O-N 3.08Å
291R91.4Very high93.2Very high39 Ų3955.1 Ų55.115%0.14728%0.278CS..Hα-helixtrans-64-42174.8-74.4177-172.1-148.56.3111.5Q287 L288 E293 S294 M296 L326 I570Q287-R291 VanDerWaalsContact O-CB 3.3Å; Q287-R291 WeakPolarHBondContact O-CB 3.48Å; Q287-R291 WeakPolarHBondContact O-CG 3.27Å; Q287-R291 PolarHBondContact O-N 3.21Å; L288-R291 PolarHBondContact O-N 3.44Å; R291-E293 PolarHBondContact O-N 2.95Å; R291-S294 WeakPolarHBondContact O-CB 3.34Å; R291-S294 PolarHBondContact O-N 3.18Å; R291-S294 PolarHBondContact O-OG 3.38Å; R291-M296 WeakPolarHBondContact O-CE 3.41Å; R291-L326 HydrophobicContact CB-CD1 3.81Å; R291-I570 PolarHBondContact NH2-O 3.1Å
292H92.1Very high93.9Very high65 Ų6553.2 Ų53.230%0.30126%0.262SS..Hα-helixtrans-60.8-31.3177.8-170.4-69.4000112.6N249 F251 L288 L326N249-H292 HydrophobicContact CB-CB 4.36Å; F251-H292 HydrophobicContact CD2-CB 4.47Å; F251-H292 AromaticContact CE2-CD2 3.96Å; L288-H292 WeakPolarHBondContact O-CB 3.31Å; L288-H292 PolarHBondContact O-N 2.82Å; H292-L326 HydrophobicContact CB-CD1 4.4Å
293E91Very high94.2Very high78 Ų7853.1 Ų53.136%0.36426%0.262SS..Hα-helixtrans-85.4-14.5176.9-70.4170.5-171.300113.8S248 N249 R252 A289 S290 R291S248-E293 PolarHBondContact OG-OE1 3.03Å; N249-E293 PolarHBondContact ND2-OE1 3.19Å; R252-E293 IonicContact CZ-OE1 2.92Å; R252-E293 IonicContact CZ-OE2 2.71Å; R252-E293 IonicContact NE-OE1 3.09Å; R252-E293 PolarHBondContact NE-OE1 3.07Å; R252-E293 IonicContact NE-OE2 2.89Å; R252-E293 VanDerWaalsContact NH2-CD 3.32Å; R252-E293 IonicContact NH2-OE1 3.87Å; R252-E293 PolarHBondContact NH2-OE1 3.29Å; R252-E293 IonicContact NH2-OE2 2.84Å; R252-E293 PolarHBondContact NH2-OE2 2.76Å; A289-E293 WeakPolarHBondContact O-CG 3.32Å; A289-E293 PolarHBondContact O-N 2.71Å; S290-E293 PolarHBondContact O-N 3Å; R291-E293 PolarHBondContact O-N 2.95Å
294S91.2Very high94.4Very high46 Ų4650.2 Ų50.232%0.32225%0.246SC..SBendtrans-64.5151.2-179.671.50000111.8S290 R291 M296 R331S290-S294 PolarHBondContact O-N 3.3Å; S290-S294 VanDerWaalsContact O-N 3.08Å; R291-S294 WeakPolarHBondContact O-CB 3.34Å; R291-S294 PolarHBondContact O-N 3.18Å; R291-S294 PolarHBondContact O-OG 3.38Å; S294-M296 PolarHBondContact O-N 3.32Å; S294-M296 WeakPolarHBondContact OG-CG 3.46Å; S294-R331 PolarHBondContact O-NH2 2.88Å; S294-R331 VanDerWaalsContact O-NH2 3.08Å
295D91.3Very high94.6Very high155 Ų15546 Ų4683%0.82922%0.224SC*.  trans-73.1118172.7-160.520000108.5
296M92.6Very high94.2Very high24 Ų2447 Ų4712%0.11823%0.229CC..  trans-134143.3-172.7-69.8-177-7300108.9R291 S294 L326 R331R291-M296 WeakPolarHBondContact O-CE 3.41Å; S294-M296 PolarHBondContact O-N 3.32Å; S294-M296 WeakPolarHBondContact OG-CG 3.46Å; M296-L326 HydrophobicContact CE-CD1 4.12Å; M296-L326 HydrophobicContact SD-CD1 4.41Å; M296-R331 HydrophobicContact CB-CB 4.28Å
297E96.4Very high93.6Very high139 Ų13943.7 Ų43.765%0.6522%0.216SC*.  trans-59.2141.7170.4-67.5-178.117000110.3R330 R331E297-R330 CarbonylContact O-C 3.57Å; E297-R330 VanDerWaalsContact O-CA 3.28Å; E297-R330 WeakPolarHBondContact O-CA 3.39Å; E297-R330 VanDerWaalsContact O-CD 3.24Å; E297-R330 WeakPolarHBondContact O-CD 3.33Å; E297-R330 IonicContact OE2-NE 2.78Å; E297-R331 PolarHBondContact O-N 3.22Å
298E97.1Very high93.1Very high108 Ų10842.9 Ų42.951%0.50521%0.214SC..EExtended strand (participates in β ladder)trans-79.7147.8-179.4-64.8-176.1163.700111.5R331 V333E298-R331 CarbonylContact C-O 3.53Å; E298-R331 WeakPolarHBondContact CA-O 3.32Å; E298-R331 HydrophobicContact CG-CB 4.29Å; E298-V333 HydrophobicContact CB-CG2 3.84Å; E298-V333 HydrophobicContact CG-CG2 3.81Å
299V98.1Very high92.4Very high1 Ų151.6 Ų51.61%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-124.1122.5165.661.60000108.7I301 A325 R330 R331 V333 D365 V545 A548 V549V299-I301 HydrophobicContact CG2-CD1 3.95Å; V299-I301 HydrophobicContact CG2-CG1 4.34Å; V299-A325 HydrophobicContact CG1-CB 4.14Å; V299-R330 HydrophobicContact CB-CB 4.22Å; V299-R330 HydrophobicContact CB-CG 4.49Å; V299-R330 HydrophobicContact CG1-CB 3.76Å; V299-R330 HydrophobicContact CG1-CG 4.47Å; V299-R331 PolarHBondContact N-O 3.07Å; V299-V333 PolarHBondContact O-N 3.4Å; V299-D365 HydrophobicContact CG2-CB 4.44Å; V299-V545 HydrophobicContact CG1-CG1 4.25Å; V299-A548 HydrophobicContact CG2-CB 3.79Å; V299-V549 HydrophobicContact CB-CG1 4.16Å; V299-V549 HydrophobicContact CG2-CG1 3.93Å
300K98.5Very high91.8Very high82 Ų8254.6 Ų54.636%0.35727%0.27SS..EExtended strand (participates in β ladder)trans-96.3112.5-176.6-64.6177.6-174.8176.40109.8V333 V335 A364 D365 G366K300-V333 WeakPolarHBondContact CA-O 3.43Å; K300-V333 HydrophobicContact CG-CB 4.05Å; K300-V333 HydrophobicContact CG-CG1 4.15Å; K300-V335 HydrophobicContact CB-CG2 4.09Å; K300-A364 CarbonylContact O-C 3.21Å; K300-D365 WeakPolarHBondContact CB-OD2 3.45Å; K300-D365 PolarHBondContact N-OD2 3.01Å; K300-D365 WeakPolarHBondContact O-CB 3.35Å; K300-D365 PolarHBondContact O-N 3Å; K300-G366 PolarHBondContact O-N 3.44Å
301I98.5Very high91.2Very high1 Ų159.3 Ų59.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-111.6121176.5-55.1-60.8000109.1V299 L303 L321 V333 V335 G366 L368 L544 A548V299-I301 HydrophobicContact CG2-CD1 3.95Å; V299-I301 HydrophobicContact CG2-CG1 4.34Å; I301-L303 PolarHBondContact O-N 3.08Å; I301-L321 HydrophobicContact CB-CD2 4.34Å; I301-L321 HydrophobicContact CG1-CD2 4.27Å; I301-L321 HydrophobicContact CG2-CD1 4.4Å; I301-L321 HydrophobicContact CG2-CD2 3.97Å; I301-V333 PolarHBondContact N-O 3.47Å; I301-V335 PolarHBondContact O-N 3.25Å; I301-G366 WeakPolarHBondContact CA-O 3.47Å; I301-L368 HydrophobicContact CG2-CB 4.22Å; I301-L544 HydrophobicContact CD1-CG 4.42Å; I301-L544 HydrophobicContact CG2-CD2 3.99Å; I301-A548 HydrophobicContact CD1-CB 3.87Å
302A98.2Very high90.8Very high0 Ų062.5 Ų62.50%030%0.299CS..EExtended strand (participates in β ladder)trans-75.6120.1173.300000110.3V335 V337 L361 A364 G366 V367 L368A302-V335 CarbonylContact C-O 3.59Å; A302-V335 VanDerWaalsContact CA-O 3.25Å; A302-V335 WeakPolarHBondContact CA-O 3.42Å; A302-V335 HydrophobicContact CB-CB 4.34Å; A302-V337 HydrophobicContact CB-CG2 4.22Å; A302-L361 HydrophobicContact CB-CD1 3.83Å; A302-A364 HydrophobicContact CB-CB 3.55Å; A302-G366 PolarHBondContact N-O 2.66Å; A302-V367 CarbonylContact O-C 3.59Å; A302-L368 PolarHBondContact O-N 2.8Å
303L97.6Very high90.7Very high1 Ų159.8 Ų59.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-99.1110.8169.2-172.2147.6000108.1I301 V308 Y314 V317 Y318 V335 V337 L368 P370I301-L303 PolarHBondContact O-N 3.08Å; L303-V308 HydrophobicContact CD2-CG1 3.91Å; L303-Y314 HydrophobicContact CD1-CG 4.44Å; L303-Y314 HydrophobicContact CD2-CD2 3.83Å; L303-Y314 HydrophobicContact CD2-CE2 4.01Å; L303-Y314 HydrophobicContact CD2-CG 4.17Å; L303-V317 HydrophobicContact CD1-CB 4.35Å; L303-V317 HydrophobicContact CD1-CG1 3.54Å; L303-Y318 HydrophobicContact CD1-CE1 3.96Å; L303-Y318 HydrophobicContact CD1-CE2 4.49Å; L303-V335 PolarHBondContact N-O 3.42Å; L303-V337 PolarHBondContact O-N 3.22Å; L303-L368 HydrophobicContact CD1-CD2 4.19Å; L303-L368 HydrophobicContact CG-CD2 4.23Å; L303-P370 HydrophobicContact CD2-CG 4.28Å; L303-P370 HydrophobicContact CG-CG 4.48Å
304V97.4Very high90.7Very high0 Ų056.7 Ų56.70%027%0.273CS..EExtended strand (participates in β ladder)trans-96.8103.9-178.1-176.90000109.1V337 L342 L361 V367 L368 V369 P370 A384V304-V337 WeakPolarHBondContact CA-O 3.28Å; V304-V337 HydrophobicContact CG2-CB 4.11Å; V304-V337 HydrophobicContact CG2-CG1 4.4Å; V304-L342 HydrophobicContact CG1-CD1 3.81Å; V304-L361 HydrophobicContact CG2-CD1 3.88Å; V304-V367 HydrophobicContact CG2-CG1 4.05Å; V304-L368 PolarHBondContact N-O 2.7Å; V304-V369 HydrophobicContact CB-CG2 4.18Å; V304-P370 WeakPolarHBondContact O-CD 3.26Å; V304-A384 HydrophobicContact CB-CB 4.24Å; V304-A384 HydrophobicContact CG1-CB 3.87Å; V304-A384 HydrophobicContact CG2-CB 3.91Å
305G94Very high90.7Very high0 Ų054.9 Ų54.90%026%0.261CS..EExtended strand (participates in β ladder)trans-145.1169.1-170.400000114.1V337 S338 S339G305-V337 PolarHBondContact N-O 3.41Å; G305-S338 WeakPolarHBondContact O-CA 3.4Å; G305-S339 PolarHBondContact O-N 3.14Å; G305-S339 PolarHBondContact O-OG 2.85Å
306K86.9Confident90.9Very high40 Ų4047.5 Ų47.517%0.17422%0.221CC..SBendtrans-79.3-24.2178.2-175.4-178171-168.40113.3Y314 R376K306-Y314 PolarHBondContact N-OH 3.13Å; K306-Y314 VanDerWaalsContact N-OH 3.13Å; K306-R376 HydrophobicContact CD-CB 4.31Å; K306-R376 VanDerWaalsContact CE-NH2 3.3Å
307Y81.7Confident91.1Very high35 Ų3546.5 Ų46.514%0.13722%0.216CC..  trans-127.433.7-167.8-49.6-48.7000111.7P52 F53 E309 L310 A313P52-Y307 HydrophobicContact CB-CD2 4.21Å; P52-Y307 HydrophobicContact CB-CE2 4.11Å; P52-Y307 HydrophobicContact CG-CE2 4.13Å; F53-Y307 HydrophobicContact CD2-CD1 4.16Å; F53-Y307 AromaticContact CD2-CE1 3.76Å; F53-Y307 HydrophobicContact CD2-CE1 3.76Å; F53-Y307 AromaticContact CE1-CD1 3.88Å; F53-Y307 HydrophobicContact CE1-CD1 3.88Å; F53-Y307 HydrophobicContact CE1-CE1 4.3Å; F53-Y307 AromaticContact CE2-CD1 3.4Å; F53-Y307 HydrophobicContact CE2-CD1 3.4Å; F53-Y307 VanDerWaalsContact CE2-CD1 3.4Å; F53-Y307 AromaticContact CE2-CE1 2.95Å; F53-Y307 HydrophobicContact CE2-CE1 2.95Å; F53-Y307 HydrophobicContact CE2-CG 4.47Å; F53-Y307 AromaticContact CE2-CZ 3.71Å; F53-Y307 AromaticContact CZ-CD1 3.19Å; F53-Y307 HydrophobicContact CZ-CD1 3.19Å; F53-Y307 AromaticContact CZ-CE1 3.27Å; F53-Y307 HydrophobicContact CZ-CE1 3.27Å; F53-Y307 HydrophobicContact CZ-CG 4.31Å; Y307-E309 PolarHBondContact O-N 3.36Å; Y307-L310 PolarHBondContact O-N 2.87Å; Y307-A313 HydrophobicContact CD2-CB 4.16Å; Y307-A313 HydrophobicContact CG-CB 4.39Å
308V80.5Confident91Very high19 Ų1940.6 Ų40.612%0.11519%0.188CC..THydrogen-bonded Turntrans-65-13.6-171.4-64.30000114.2L303 L310 A336 V337L303-V308 HydrophobicContact CD2-CG1 3.91Å; V308-L310 VanDerWaalsContact C-N 3.33Å; V308-A336 HydrophobicContact CB-CB 3.84Å; V308-A336 HydrophobicContact CG2-CB 4.24Å; V308-V337 WeakPolarHBondContact CG1-O 3.46Å
309E78.8Confident90.9Very high191 Ų19137.5 Ų37.589%0.89317%0.173SC*.THydrogen-bonded Turntrans-75.4-22.8172.6-60-177.9176.600112.6Y307Y307-E309 PolarHBondContact O-N 3.36Å
310L80.4Confident90.9Very high64 Ų6437.5 Ų37.534%0.33517%0.173SC..  trans-10999.6-179.1-72.8141.7000109.7F53 Y307 V308 D312 A313F53-L310 HydrophobicContact CD1-CD1 3.13Å; F53-L310 HydrophobicContact CE1-CD1 3.3Å; F53-L310 HydrophobicContact CG-CD1 4.25Å; Y307-L310 PolarHBondContact O-N 2.87Å; V308-L310 VanDerWaalsContact C-N 3.33Å; L310-D312 PolarHBondContact O-N 2.75Å; L310-A313 HydrophobicContact CB-CB 4.27Å; L310-A313 WeakPolarHBondContact O-CB 3.32Å; L310-A313 PolarHBondContact O-N 3.28Å
311R81.1Confident90.9Very high157 Ų15733.6 Ų33.659%0.59216%0.156SC*.G310 helixtrans-57.2-34.8178.9-75.6-168.3171.4-159.2-3.8112.8A313 Y314 A315 Y318R311-A313 VanDerWaalsContact C-N 3.26Å; R311-A313 PolarHBondContact O-N 3.32Å; R311-Y314 CarbonylContact O-C 3.54Å; R311-Y314 PolarHBondContact O-N 3.36Å; R311-Y314 VanDerWaalsContact O-N 3.12Å; R311-A315 PolarHBondContact O-N 3.12Å; R311-Y318 HydrophobicContact CB-CD2 4.49Å; R311-Y318 HydrophobicContact CB-CE2 4.28Å; R311-Y318 HydrophobicContact CG-CE2 4.23Å
312D83.9Confident90.7Very high107 Ų10737.2 Ų37.257%0.57217%0.173SC*.G310 helixtrans-68.2-24.2-176.2-64.4-18.7000113.4E57 L310 Y314 A315E57-D312 PolarHBondContact N-O 3.32Å; L310-D312 PolarHBondContact O-N 2.75Å; D312-Y314 PolarHBondContact O-N 3.27Å; D312-A315 PolarHBondContact O-N 3.11Å
313A88.6Confident90.6Very high7 Ų737.7 Ų37.76%0.05818%0.175CC..G310 helixtrans-67.8-16.8175.100000113.1P52 Y307 L310 R311P52-A313 HydrophobicContact CB-CB 3.94Å; Y307-A313 HydrophobicContact CD2-CB 4.16Å; Y307-A313 HydrophobicContact CG-CB 4.39Å; L310-A313 HydrophobicContact CB-CB 4.27Å; L310-A313 WeakPolarHBondContact O-CB 3.32Å; L310-A313 PolarHBondContact O-N 3.28Å; R311-A313 VanDerWaalsContact C-N 3.26Å; R311-A313 PolarHBondContact O-N 3.32Å
314Y91.9Very high90.6Very high14 Ų1437.6 Ų37.66%0.05518%0.175CC..G310 helixtrans-131.628.5178.3-59.6-67.8000111.7L303 K306 R311 D312 S316 V317 Y318 P370L303-Y314 HydrophobicContact CD1-CG 4.44Å; L303-Y314 HydrophobicContact CD2-CD2 3.83Å; L303-Y314 HydrophobicContact CD2-CE2 4.01Å; L303-Y314 HydrophobicContact CD2-CG 4.17Å; K306-Y314 PolarHBondContact N-OH 3.13Å; K306-Y314 VanDerWaalsContact N-OH 3.13Å; R311-Y314 CarbonylContact O-C 3.54Å; R311-Y314 PolarHBondContact O-N 3.36Å; R311-Y314 VanDerWaalsContact O-N 3.12Å; D312-Y314 PolarHBondContact O-N 3.27Å; Y314-S316 VanDerWaalsContact C-N 3.32Å; Y314-S316 PolarHBondContact O-N 3.43Å; Y314-V317 WeakPolarHBondContact O-CB 3.43Å; Y314-V317 PolarHBondContact O-N 3.47Å; Y314-V317 VanDerWaalsContact O-N 3.08Å; Y314-Y318 WeakPolarHBondContact O-CD2 3.21Å; Y314-Y318 PolarHBondContact O-N 3.33Å; Y314-P370 HydrophobicContact CD1-CB 3.9Å; Y314-P370 HydrophobicContact CD1-CG 3.78Å; Y314-P370 HydrophobicContact CE1-CB 3.82Å; Y314-P370 HydrophobicContact CE1-CG 3.33Å
315A92Very high90.6Very high8 Ų837.7 Ų37.77%0.06618%0.175CC..Hα-helixtrans-57.9-41.2-171.900000113.2L69 R311 D312 V317 Y318 K319L69-A315 HydrophobicContact CD1-CB 3.9Å; L69-A315 HydrophobicContact CD2-CB 3.34Å; L69-A315 HydrophobicContact CG-CB 4.24Å; R311-A315 PolarHBondContact O-N 3.12Å; D312-A315 PolarHBondContact O-N 3.11Å; A315-V317 VanDerWaalsContact C-N 3.35Å; A315-Y318 PolarHBondContact O-N 3.21Å; A315-K319 WeakPolarHBondContact O-CB 3.17Å; A315-K319 VanDerWaalsContact O-CG 3.24Å; A315-K319 WeakPolarHBondContact O-CG 3.45Å; A315-K319 PolarHBondContact O-N 2.94Å
316S94.9Very high90.6Very high0 Ų038.3 Ų38.30%018%0.178CC..Hα-helixtrans-67.3-37.4177.8-560000111.8E57 R76 Y314 K319 A320E57-S316 VanDerWaalsContact CD-OG 3.31Å; E57-S316 WeakPolarHBondContact OE1-CB 3.33Å; E57-S316 PolarHBondContact OE1-OG 3.11Å; E57-S316 WeakPolarHBondContact OE2-CA 2.97Å; E57-S316 WeakPolarHBondContact OE2-CB 3.4Å; E57-S316 PolarHBondContact OE2-N 2.94Å; E57-S316 PolarHBondContact OE2-OG 3.25Å; R76-S316 PolarHBondContact NH2-OG 3.24Å; Y314-S316 VanDerWaalsContact C-N 3.32Å; Y314-S316 PolarHBondContact O-N 3.43Å; S316-K319 PolarHBondContact O-N 3.2Å; S316-A320 VanDerWaalsContact O-CB 3.28Å; S316-A320 WeakPolarHBondContact O-CB 3.24Å; S316-A320 PolarHBondContact O-N 3.19Å
317V96.2Very high90.9Very high2 Ų237.4 Ų37.41%0.01218%0.178CC..Hα-helixtrans-64-45.9175.5177.20000110.8L303 Y314 A315 A320 L321 L368 P370 E529 Y541L303-V317 HydrophobicContact CD1-CB 4.35Å; L303-V317 HydrophobicContact CD1-CG1 3.54Å; Y314-V317 WeakPolarHBondContact O-CB 3.43Å; Y314-V317 PolarHBondContact O-N 3.47Å; Y314-V317 VanDerWaalsContact O-N 3.08Å; A315-V317 VanDerWaalsContact C-N 3.35Å; V317-A320 PolarHBondContact O-N 3.04Å; V317-L321 HydrophobicContact CG1-CD1 4.21Å; V317-L321 WeakPolarHBondContact O-CG 3.2Å; V317-L321 PolarHBondContact O-N 3.36Å; V317-L368 HydrophobicContact CG1-CD1 4.03Å; V317-L368 HydrophobicContact CG1-CD2 3.66Å; V317-P370 HydrophobicContact CG2-CB 4.29Å; V317-E529 HydrophobicContact CG2-CG 4.26Å; V317-Y541 HydrophobicContact CG1-CE1 4.23Å
318Y95.4Very high91.5Very high15 Ų1536.1 Ų36.16%0.05917%0.174CC..Hα-helixtrans-62.3-47.5176.2-74-59.2000111.8L303 R311 Y314 A315 A320 L321 E322 M332L303-Y318 HydrophobicContact CD1-CE1 3.96Å; L303-Y318 HydrophobicContact CD1-CE2 4.49Å; R311-Y318 HydrophobicContact CB-CD2 4.49Å; R311-Y318 HydrophobicContact CB-CE2 4.28Å; R311-Y318 HydrophobicContact CG-CE2 4.23Å; Y314-Y318 WeakPolarHBondContact O-CD2 3.21Å; Y314-Y318 PolarHBondContact O-N 3.33Å; A315-Y318 PolarHBondContact O-N 3.21Å; Y318-A320 VanDerWaalsContact C-N 3.31Å; Y318-A320 PolarHBondContact O-N 3.17Å; Y318-L321 WeakPolarHBondContact O-CB 3.48Å; Y318-L321 PolarHBondContact O-N 2.99Å; Y318-E322 WeakPolarHBondContact O-CG 3.37Å; Y318-E322 PolarHBondContact O-N 3.25Å; Y318-M332 HydrophobicContact CD1-CE 4.03Å; Y318-M332 HydrophobicContact CE1-CE 4.49Å
319K94.8Very high92.1Very high44 Ų4437.8 Ų37.819%0.19118%0.183CC..Hα-helixtrans-58.3-43.6176-72.4170.4-175.3173.80111.5N73 A315 S316 L321 E322 H323N73-K319 PolarHBondContact OD1-NZ 3.33Å; A315-K319 WeakPolarHBondContact O-CB 3.17Å; A315-K319 VanDerWaalsContact O-CG 3.24Å; A315-K319 WeakPolarHBondContact O-CG 3.45Å; A315-K319 PolarHBondContact O-N 2.94Å; S316-K319 PolarHBondContact O-N 3.2Å; K319-L321 PolarHBondContact O-N 2.83Å; K319-E322 PolarHBondContact O-N 2.91Å; K319-H323 PolarHBondContact O-CD2 3.04Å; K319-H323 PolarHBondContact O-N 3.21Å; K319-H323 PolarHBondContact O-ND1 2.73Å; K319-H323 PolarHBondContact O-NE2 3.27Å
320A97.4Very high92.9Very high0 Ų030.2 Ų30.20%015%0.146CC..Hα-helixtrans-64.9-38.2178.600000112.9S316 V317 Y318 A324 E529 Y541S316-A320 VanDerWaalsContact O-CB 3.28Å; S316-A320 WeakPolarHBondContact O-CB 3.24Å; S316-A320 PolarHBondContact O-N 3.19Å; V317-A320 PolarHBondContact O-N 3.04Å; Y318-A320 VanDerWaalsContact C-N 3.31Å; Y318-A320 PolarHBondContact O-N 3.17Å; A320-A324 WeakPolarHBondContact O-CB 3.39Å; A320-A324 PolarHBondContact O-N 2.9Å; A320-E529 HydrophobicContact CB-CB 4Å; A320-Y541 HydrophobicContact CB-CD1 4.04Å; A320-Y541 HydrophobicContact CB-CD2 3.89Å; A320-Y541 HydrophobicContact CB-CE1 3.9Å; A320-Y541 HydrophobicContact CB-CE2 3.7Å; A320-Y541 HydrophobicContact CB-CG 4.02Å
321L97.7Very high93.7Very high1 Ų131.8 Ų31.81%0.00515%0.147CC..Hα-helixtrans-64.6-43.5172.1-75.3164.5000111.9I301 V317 Y318 K319 A324 A325 M332 L368 Y541 L544I301-L321 HydrophobicContact CB-CD2 4.34Å; I301-L321 HydrophobicContact CG1-CD2 4.27Å; I301-L321 HydrophobicContact CG2-CD1 4.4Å; I301-L321 HydrophobicContact CG2-CD2 3.97Å; V317-L321 HydrophobicContact CG1-CD1 4.21Å; V317-L321 WeakPolarHBondContact O-CG 3.2Å; V317-L321 PolarHBondContact O-N 3.36Å; Y318-L321 WeakPolarHBondContact O-CB 3.48Å; Y318-L321 PolarHBondContact O-N 2.99Å; K319-L321 PolarHBondContact O-N 2.83Å; L321-A324 PolarHBondContact O-N 3.24Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.05Å; L321-A325 PolarHBondContact O-N 3.5Å; L321-M332 HydrophobicContact CB-CE 3.62Å; L321-M332 HydrophobicContact CB-CG 3.96Å; L321-M332 HydrophobicContact CD1-CE 3.44Å; L321-M332 VanDerWaalsContact CD1-CE 3.44Å; L321-M332 HydrophobicContact CG-CE 4.09Å; L321-L368 HydrophobicContact CD1-CD1 4.29Å; L321-L368 HydrophobicContact CD2-CD1 4.24Å; L321-L368 HydrophobicContact CG-CD1 4.44Å; L321-Y541 HydrophobicContact CD2-CD1 3.67Å; L321-Y541 HydrophobicContact CD2-CE1 4.03Å; L321-Y541 HydrophobicContact CG-CD1 3.75Å; L321-Y541 HydrophobicContact CG-CE1 3.75Å; L321-L544 HydrophobicContact CD2-CD2 4.21Å
322E95.9Very high94.4Very high77 Ų7725.9 Ų25.936%0.3613%0.127SC..Hα-helixtrans-61.7-44.8176.3-73.7172.9-174.300111.4Y318 K319 A324 A325 L326 M332Y318-E322 WeakPolarHBondContact O-CG 3.37Å; Y318-E322 PolarHBondContact O-N 3.25Å; K319-E322 PolarHBondContact O-N 2.91Å; E322-A324 PolarHBondContact O-N 3.29Å; E322-A325 PolarHBondContact O-N 3.47Å; E322-L326 VanDerWaalsContact O-CB 3.28Å; E322-L326 WeakPolarHBondContact O-CB 3.5Å; E322-L326 PolarHBondContact O-N 3.42Å; E322-M332 HydrophobicContact CG-CB 4.19Å; E322-M332 HydrophobicContact CG-CG 4.32Å
323H96.2Very high95Very high9 Ų922.7 Ų22.74%0.04211%0.111CC..Hα-helixtrans-59.7-46.4175.7-56.9164.3000111.4K319 L326 A327 S532 T533 P537K319-H323 PolarHBondContact O-CD2 3.04Å; K319-H323 PolarHBondContact O-N 3.21Å; K319-H323 PolarHBondContact O-ND1 2.73Å; K319-H323 PolarHBondContact O-NE2 3.27Å; H323-L326 PolarHBondContact O-N 3.38Å; H323-A327 WeakPolarHBondContact O-CB 3.17Å; H323-A327 PolarHBondContact O-N 2.87Å; H323-S532 PolarHBondContact CE1-O 3.49Å; H323-S532 PolarHBondContact ND1-O 3.21Å; H323-S532 PolarHBondContact ND1-OG 3.22Å; H323-S532 VanDerWaalsContact ND1-OG 3.07Å; H323-T533 VanDerWaalsContact ND1-C 3.29Å; H323-T533 PolarHBondContact ND1-O 3.04Å; H323-P537 HydrophobicContact CB-CB 3.95Å
324A97.6Very high95.3Very high0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-65.4-42.6179.400000112.4A320 L321 E322 A327 C328 V542 V545A320-A324 WeakPolarHBondContact O-CB 3.39Å; A320-A324 PolarHBondContact O-N 2.9Å; L321-A324 PolarHBondContact O-N 3.24Å; E322-A324 PolarHBondContact O-N 3.29Å; A324-A327 PolarHBondContact O-N 2.97Å; A324-C328 PolarHBondContact O-N 2.93Å; A324-C328 VanDerWaalsContact O-N 3.1Å; A324-C328 PolarHBondContact O-SG 3.27Å; A324-V542 HydrophobicContact CB-CG2 3.99Å; A324-V545 HydrophobicContact CB-CG2 3.96Å
325A96.8Very high95.5Very high1 Ų123.8 Ų23.81%0.00812%0.12CC..Hα-helixtrans-63.2-45.2176.600000111.7V299 L321 E322 A327 C328 N329 R330 M332V299-A325 HydrophobicContact CG1-CB 4.14Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.05Å; L321-A325 PolarHBondContact O-N 3.5Å; E322-A325 PolarHBondContact O-N 3.47Å; A325-A327 VanDerWaalsContact C-N 3.31Å; A325-A327 PolarHBondContact O-N 3.15Å; A325-C328 CarbonylContact O-C 3.45Å; A325-C328 WeakPolarHBondContact O-CA 3.14Å; A325-C328 PolarHBondContact O-N 2.98Å; A325-N329 PolarHBondContact O-N 2.75Å; A325-N329 VanDerWaalsContact O-N 3.12Å; A325-R330 CarbonylContact C-O 3.44Å; A325-R330 VanDerWaalsContact C-O 3.3Å; A325-R330 HydrophobicContact CB-CB 4.45Å; A325-R330 PolarHBondContact O-N 2.82Å; A325-M332 HydrophobicContact CB-CB 3.72Å; A325-M332 HydrophobicContact CB-CG 4.45Å
326L94.4Very high95.6Very high14 Ų1425.5 Ų25.57%0.07313%0.134CC..Hα-helixtrans-62-40.1178-172.260.2000111.7F251 L288 R291 H292 M296 E322 H323 C328 N329F251-L326 HydrophobicContact CE2-CD2 4.28Å; L288-L326 HydrophobicContact CD1-CD2 3.39Å; L288-L326 HydrophobicContact CD1-CG 4.44Å; L288-L326 HydrophobicContact CG-CD2 4.1Å; R291-L326 HydrophobicContact CB-CD1 3.81Å; H292-L326 HydrophobicContact CB-CD1 4.4Å; M296-L326 HydrophobicContact CE-CD1 4.12Å; M296-L326 HydrophobicContact SD-CD1 4.41Å; E322-L326 VanDerWaalsContact O-CB 3.28Å; E322-L326 WeakPolarHBondContact O-CB 3.5Å; E322-L326 PolarHBondContact O-N 3.42Å; H323-L326 PolarHBondContact O-N 3.38Å; L326-C328 PolarHBondContact O-N 3.14Å; L326-N329 PolarHBondContact O-N 3.37Å; L326-N329 VanDerWaalsContact O-N 3.12Å
327A93Very high95.7Very high21 Ų2125.5 Ų25.517%0.17413%0.134CC..Hα-helixtrans-66.1-25.6174.300000113.5H323 A324 A325 P537 P564H323-A327 WeakPolarHBondContact O-CB 3.17Å; H323-A327 PolarHBondContact O-N 2.87Å; A324-A327 PolarHBondContact O-N 2.97Å; A325-A327 VanDerWaalsContact C-N 3.31Å; A325-A327 PolarHBondContact O-N 3.15Å; A327-P537 HydrophobicContact CB-CB 4.39Å; A327-P537 HydrophobicContact CB-CG 3.69Å; A327-P564 HydrophobicContact CB-CB 4.25Å; A327-P564 HydrophobicContact CB-CG 4.34Å
328C94.2Very high95.7Very high8 Ų826.7 Ų26.75%0.05414%0.142CC..THydrogen-bonded Turntrans-92.48.5174.4-58.60000113.2A324 A325 L326 R330 V545 L546A324-C328 PolarHBondContact O-N 2.93Å; A324-C328 VanDerWaalsContact O-N 3.1Å; A324-C328 PolarHBondContact O-SG 3.27Å; A325-C328 CarbonylContact O-C 3.45Å; A325-C328 WeakPolarHBondContact O-CA 3.14Å; A325-C328 PolarHBondContact O-N 2.98Å; L326-C328 PolarHBondContact O-N 3.14Å; C328-R330 VanDerWaalsContact C-N 3.31Å; C328-R330 HydrophobicContact CB-CG 4.47Å; C328-R330 PolarHBondContact O-N 3.17Å; C328-R330 PolarHBondContact O-NH1 3.08Å; C328-V545 HydrophobicContact CB-CG1 3.77Å; C328-L546 HydrophobicContact CB-CD2 4.43Å
329N93.6Very high95.7Very high53 Ų5326 Ų2628%0.28314%0.14SC..THydrogen-bonded Turntrans50.949.6-173.2-57.9-54.6000112.3A325 L326A325-N329 PolarHBondContact O-N 2.75Å; A325-N329 VanDerWaalsContact O-N 3.12Å; L326-N329 PolarHBondContact O-N 3.37Å; L326-N329 VanDerWaalsContact O-N 3.12Å
330R96Very high95.7Very high33 Ų3327.1 Ų27.113%0.12515%0.145CC..  trans-128.7152175.2-66.1-63.1-174.3-71.6-6.8110.4E297 V299 A325 C328 V549 E551E297-R330 CarbonylContact O-C 3.57Å; E297-R330 VanDerWaalsContact O-CA 3.28Å; E297-R330 WeakPolarHBondContact O-CA 3.39Å; E297-R330 VanDerWaalsContact O-CD 3.24Å; E297-R330 WeakPolarHBondContact O-CD 3.33Å; E297-R330 IonicContact OE2-NE 2.78Å; V299-R330 HydrophobicContact CB-CB 4.22Å; V299-R330 HydrophobicContact CB-CG 4.49Å; V299-R330 HydrophobicContact CG1-CB 3.76Å; V299-R330 HydrophobicContact CG1-CG 4.47Å; A325-R330 CarbonylContact C-O 3.44Å; A325-R330 VanDerWaalsContact C-O 3.3Å; A325-R330 HydrophobicContact CB-CB 4.45Å; A325-R330 PolarHBondContact O-N 2.82Å; C328-R330 VanDerWaalsContact C-N 3.31Å; C328-R330 HydrophobicContact CB-CG 4.47Å; C328-R330 PolarHBondContact O-N 3.17Å; C328-R330 PolarHBondContact O-NH1 3.08Å; R330-V549 HydrophobicContact CG-CG1 4.12Å; R330-E551 IonicContact CZ-OE1 2.74Å; R330-E551 IonicContact NH2-OE1 3.18Å; R330-E551 PolarHBondContact NH2-OE1 2.93Å
331R95.9Very high95.7Very high97 Ų9728.9 Ų28.937%0.36616%0.155SC..EExtended strand (participates in β ladder)trans-88.4118.1169-174.8170.5-64.2-177.74.1109.4S294 M296 E297 E298 V299 V333S294-R331 PolarHBondContact O-NH2 2.88Å; S294-R331 VanDerWaalsContact O-NH2 3.08Å; M296-R331 HydrophobicContact CB-CB 4.28Å; E297-R331 PolarHBondContact O-N 3.22Å; E298-R331 CarbonylContact C-O 3.53Å; E298-R331 WeakPolarHBondContact CA-O 3.32Å; E298-R331 HydrophobicContact CG-CB 4.29Å; V299-R331 PolarHBondContact N-O 3.07Å; R331-V333 PolarHBondContact O-N 3.49Å
332M96Very high95.6Very high32 Ų3229.3 Ų29.316%0.15816%0.157CC..EExtended strand (participates in β ladder)trans-67.3125.8176.2-170.6-76.5-174.700110Y318 L321 E322 A325 S334Y318-M332 HydrophobicContact CD1-CE 4.03Å; Y318-M332 HydrophobicContact CE1-CE 4.49Å; L321-M332 HydrophobicContact CB-CE 3.62Å; L321-M332 HydrophobicContact CB-CG 3.96Å; L321-M332 HydrophobicContact CD1-CE 3.44Å; L321-M332 VanDerWaalsContact CD1-CE 3.44Å; L321-M332 HydrophobicContact CG-CE 4.09Å; E322-M332 HydrophobicContact CG-CB 4.19Å; E322-M332 HydrophobicContact CG-CG 4.32Å; A325-M332 HydrophobicContact CB-CB 3.72Å; A325-M332 HydrophobicContact CB-CG 4.45Å; M332-S334 PolarHBondContact SD-N 2.98Å
333V96.9Very high95.6Very high40 Ų4027.7 Ų27.724%0.24215%0.15CC..EExtended strand (participates in β ladder)trans-119.1112.1169.5178.80000109E298 V299 K300 I301 R331E298-V333 HydrophobicContact CB-CG2 3.84Å; E298-V333 HydrophobicContact CG-CG2 3.81Å; V299-V333 PolarHBondContact O-N 3.4Å; K300-V333 WeakPolarHBondContact CA-O 3.43Å; K300-V333 HydrophobicContact CG-CB 4.05Å; K300-V333 HydrophobicContact CG-CG1 4.15Å; I301-V333 PolarHBondContact N-O 3.47Å; R331-V333 PolarHBondContact O-N 3.49Å
334S94.3Very high95.4Very high31 Ų3135.7 Ų35.722%0.21719%0.187CC..EExtended strand (participates in β ladder)trans-76.4123.5177.562.90000110.9M332M332-S334 PolarHBondContact SD-N 2.98Å
335V96.1Very high95.2Very high14 Ų1439.1 Ų39.19%0.08521%0.211CC..EExtended strand (participates in β ladder)trans-102.2102.6168.6-177.90000108.4K300 I301 A302 L303 V337 L360 A364K300-V335 HydrophobicContact CB-CG2 4.09Å; I301-V335 PolarHBondContact O-N 3.25Å; A302-V335 CarbonylContact C-O 3.59Å; A302-V335 VanDerWaalsContact CA-O 3.25Å; A302-V335 WeakPolarHBondContact CA-O 3.42Å; A302-V335 HydrophobicContact CB-CB 4.34Å; L303-V335 PolarHBondContact N-O 3.42Å; V335-V337 HydrophobicContact CG1-CG2 4.16Å; V335-V337 PolarHBondContact O-N 3.1Å; V335-L360 HydrophobicContact CG1-CB 3.82Å; V335-L360 HydrophobicContact CG1-CD2 4.08Å; V335-L360 HydrophobicContact CG1-CG 4.45Å; V335-A364 HydrophobicContact CG2-CB 4.47Å
336A95.1Very high95.1Very high43 Ų4339.3 Ų39.336%0.35521%0.212SC..EExtended strand (participates in β ladder)trans-74119.6179.200000110.7V308V308-A336 HydrophobicContact CB-CB 3.84Å; V308-A336 HydrophobicContact CG2-CB 4.24Å
337V96.4Very high95Very high1 Ų141.7 Ų41.71%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-124.6115.2177.6-175.80000109.6A302 L303 V304 G305 V308 V335 S339 L342 A357 L360A302-V337 HydrophobicContact CB-CG2 4.22Å; L303-V337 PolarHBondContact O-N 3.22Å; V304-V337 WeakPolarHBondContact CA-O 3.28Å; V304-V337 HydrophobicContact CG2-CB 4.11Å; V304-V337 HydrophobicContact CG2-CG1 4.4Å; G305-V337 PolarHBondContact N-O 3.41Å; V308-V337 WeakPolarHBondContact CG1-O 3.46Å; V335-V337 HydrophobicContact CG1-CG2 4.16Å; V335-V337 PolarHBondContact O-N 3.1Å; V337-S339 PolarHBondContact O-N 3.32Å; V337-L342 HydrophobicContact CG1-CD1 3.86Å; V337-L342 HydrophobicContact CG1-CD2 4.25Å; V337-L342 HydrophobicContact CG1-CG 4.12Å; V337-A357 HydrophobicContact CG1-CB 4.25Å; V337-L360 HydrophobicContact CG2-CB 4.14Å
338S95.5Very high94.9Very high27 Ų2748.1 Ų48.119%0.18926%0.258CS..EExtended strand (participates in β ladder)trans-68.8124.7175.5174.80000109.9G305 E340 L341G305-S338 WeakPolarHBondContact O-CA 3.4Å; S338-E340 VanDerWaalsContact C-N 3.29Å; S338-E340 PolarHBondContact O-N 2.99Å; S338-L341 PolarHBondContact O-N 2.96Å
339S96.2Very high95Very high0 Ų051.4 Ų51.40%029%0.286CS..G310 helixtrans-63.2-35.5178.857.20000112.3G305 V337 L341 L342 G377 G380G305-S339 PolarHBondContact O-N 3.14Å; G305-S339 PolarHBondContact O-OG 2.85Å; V337-S339 PolarHBondContact O-N 3.32Å; S339-L341 PolarHBondContact O-N 3.08Å; S339-L342 WeakPolarHBondContact O-CB 3.42Å; S339-L342 PolarHBondContact O-N 3.35Å; S339-G377 WeakPolarHBondContact CB-O 3.32Å; S339-G377 PolarHBondContact OG-O 3.46Å; S339-G380 WeakPolarHBondContact O-CA 3.17Å
340E95.3Very high95Very high67 Ų6752.9 Ų52.931%0.31329%0.291SS..G310 helixtrans-63.8-30.3179.8-66.6173.7105.400112.1S338 L342 E343 A346 R376S338-E340 VanDerWaalsContact C-N 3.29Å; S338-E340 PolarHBondContact O-N 2.99Å; E340-L342 PolarHBondContact O-N 3.36Å; E340-E343 PolarHBondContact O-N 3.47Å; E340-A346 WeakPolarHBondContact O-CB 3.42Å; E340-R376 HydrophobicContact CG-CG 4.26Å; E340-R376 WeakPolarHBondContact OE1-CD 3.4Å; E340-R376 WeakPolarHBondContact OE1-CG 3.16Å; E340-R376 IonicContact OE1-CZ 3.66Å; E340-R376 IonicContact OE1-NE 2.73Å; E340-R376 PolarHBondContact OE1-NE 2.67Å; E340-R376 VanDerWaalsContact OE1-NE 3.16Å; E340-R376 IonicContact OE2-CZ 2.75Å; E340-R376 IonicContact OE2-NE 2.7Å; E340-R376 PolarHBondContact OE2-NE 3.29Å; E340-R376 IonicContact OE2-NH2 3.14Å
341L96.3Very high95Very high38 Ų3854 Ų5420%0.19930%0.302CS..G310 helixtrans-74.9-10.1176.5-66.2179.3000113.3S338 S339 K353 H354 A357S338-L341 PolarHBondContact O-N 2.96Å; S339-L341 PolarHBondContact O-N 3.08Å; L341-K353 HydrophobicContact CD1-CB 4.13Å; L341-K353 HydrophobicContact CD2-CB 3.82Å; L341-K353 HydrophobicContact CD2-CD 4.31Å; L341-H354 WeakPolarHBondContact O-CA 3.07Å; L341-H354 PolarHBondContact O-ND1 3.17Å; L341-A357 HydrophobicContact CB-CB 3.8Å; L341-A357 HydrophobicContact CD1-CB 4.46Å
342L96.8Very high95Very high10 Ų1054.6 Ų54.65%0.05231%0.309CS..G310 helixtrans-94.6-3.7176-62.5179.1000113.1V304 V337 S339 E340 A357 L358 L361 A384V304-L342 HydrophobicContact CG1-CD1 3.81Å; V337-L342 HydrophobicContact CG1-CD1 3.86Å; V337-L342 HydrophobicContact CG1-CD2 4.25Å; V337-L342 HydrophobicContact CG1-CG 4.12Å; S339-L342 WeakPolarHBondContact O-CB 3.42Å; S339-L342 PolarHBondContact O-N 3.35Å; E340-L342 PolarHBondContact O-N 3.36Å; L342-A357 HydrophobicContact CD2-CB 3.88Å; L342-L358 HydrophobicContact CD2-CD2 3.81Å; L342-L358 HydrophobicContact CD2-CG 4.21Å; L342-L361 HydrophobicContact CD1-CD2 4.21Å; L342-A384 HydrophobicContact CD1-CB 4Å
343E95.5Very high95Very high43 Ų4358 Ų5820%0.20132%0.324CS..SBendtrans-74.7154.4178.1-64.6-177.1-174.500112.4E340 S345 A346 G377 E379E340-E343 PolarHBondContact O-N 3.47Å; E343-S345 WeakPolarHBondContact CB-OG 3.19Å; E343-S345 PolarHBondContact O-N 3.2Å; E343-S345 PolarHBondContact OE2-OG 2.86Å; E343-A346 WeakPolarHBondContact O-CB 3.28Å; E343-A346 PolarHBondContact O-N 3.49Å; E343-A346 VanDerWaalsContact O-N 3.08Å; E343-G377 WeakPolarHBondContact OE1-CA 3.46Å; E343-G377 PolarHBondContact OE1-N 3.46Å; E343-E379 HydrophobicContact CG-CB 4.21Å
344E92.5Very high95Very high177 Ų17757.4 Ų57.483%0.82732%0.318SS*.Hα-helixtrans-60-33.7174.1-66.6-174.2174.700112A346 V347E344-A346 PolarHBondContact O-N 3.4Å; E344-V347 VanDerWaalsContact O-CB 3.28Å; E344-V347 WeakPolarHBondContact O-CB 3.19Å; E344-V347 WeakPolarHBondContact O-CG2 2.97Å; E344-V347 PolarHBondContact O-N 3.47Å; E344-V347 VanDerWaalsContact O-N 3.12Å
345S92.8Very high95.1Very high71 Ų7161.7 Ų61.750%0.49733%0.333SS..Hα-helixtrans-57.8-36175.462.70000112.3E343 V347 L348 A349E343-S345 WeakPolarHBondContact CB-OG 3.19Å; E343-S345 PolarHBondContact O-N 3.2Å; E343-S345 PolarHBondContact OE2-OG 2.86Å; S345-V347 VanDerWaalsContact C-N 3.32Å; S345-V347 PolarHBondContact O-N 3.37Å; S345-L348 PolarHBondContact O-N 3.26Å; S345-A349 WeakPolarHBondContact O-CB 3.43Å; S345-A349 PolarHBondContact O-N 2.87Å; S345-A349 VanDerWaalsContact O-N 3.11Å
346A93.6Very high95.1Very high5 Ų566.8 Ų66.84%0.04136%0.355CS..Hα-helixtrans-72.5-23.3179.800000113.1E340 E343 E344 L348 Q350 H354E340-A346 WeakPolarHBondContact O-CB 3.42Å; E343-A346 WeakPolarHBondContact O-CB 3.28Å; E343-A346 PolarHBondContact O-N 3.49Å; E343-A346 VanDerWaalsContact O-N 3.08Å; E344-A346 PolarHBondContact O-N 3.4Å; A346-L348 VanDerWaalsContact C-N 3.26Å; A346-L348 PolarHBondContact O-N 3.08Å; A346-Q350 CarbonylContact O-C 3.49Å; A346-Q350 WeakPolarHBondContact O-CA 3.49Å; A346-Q350 PolarHBondContact O-N 3.39Å; A346-H354 HydrophobicContact CB-CB 4.37Å
347V93.4Very high95.1Very high65 Ų6565 Ų6539%0.39434%0.34SS..Hα-helixtrans-59.4-41.8176-177.80000110.5E344 S345 P351E344-V347 VanDerWaalsContact O-CB 3.28Å; E344-V347 WeakPolarHBondContact O-CB 3.19Å; E344-V347 WeakPolarHBondContact O-CG2 2.97Å; E344-V347 PolarHBondContact O-N 3.47Å; E344-V347 VanDerWaalsContact O-N 3.12Å; S345-V347 VanDerWaalsContact C-N 3.32Å; S345-V347 PolarHBondContact O-N 3.37Å; V347-P351 WeakPolarHBondContact O-CA 3.27Å; V347-P351 WeakPolarHBondContact O-CB 3.32Å
348L91.6Very high95.1Very high156 Ų15668 Ų6882%0.81736%0.357SS*.Hα-helixtrans-85.8-43.5179.6-63.7175000111.8S345 A346S345-L348 PolarHBondContact O-N 3.26Å; A346-L348 VanDerWaalsContact C-N 3.26Å; A346-L348 PolarHBondContact O-N 3.08Å
349A94.5Very high95.2Very high77 Ų7769.6 Ų69.664%0.63637%0.371SS*.Hα-helixtrans-74-38.2-173.900000113.1S345S345-A349 WeakPolarHBondContact O-CB 3.43Å; S345-A349 PolarHBondContact O-N 2.87Å; S345-A349 VanDerWaalsContact O-N 3.11Å
350Q94.8Very high95.3Very high83 Ų8373.3 Ų73.339%0.38839%0.39SS..  trans-146.260-172.3-62.6-177.972.700111.5A346 E352 K353 H354A346-Q350 CarbonylContact O-C 3.49Å; A346-Q350 WeakPolarHBondContact O-CA 3.49Å; A346-Q350 PolarHBondContact O-N 3.39Å; Q350-E352 VanDerWaalsContact C-N 3.31Å; Q350-E352 PolarHBondContact O-N 2.92Å; Q350-E352 VanDerWaalsContact O-N 3.16Å; Q350-K353 HydrophobicContact CB-CB 4.25Å; Q350-K353 PolarHBondContact O-N 2.85Å; Q350-K353 VanDerWaalsContact O-N 3.08Å; Q350-K353 VanDerWaalsContact OE1-CD 3.27Å; Q350-H354 PolarHBondContact O-N 3.49Å
351P94.8Very high95.4Very high56 Ų5670.1 Ų70.136%0.36438%0.376SS..Hα-helixtrans-54.7-40.7-169.817.6-31.5000114.2V347 H354 K355V347-P351 WeakPolarHBondContact O-CA 3.27Å; V347-P351 WeakPolarHBondContact O-CB 3.32Å; P351-H354 PolarHBondContact O-N 3.25Å; P351-K355 WeakPolarHBondContact O-CG 3.33Å; P351-K355 PolarHBondContact O-N 3.29Å
352E96.6Very high95.4Very high110 Ų11072.5 Ų72.551%0.51439%0.389SS..Hα-helixtrans-69.6-39.2-178.9-65.1-53.211900112.2Q350 K355 Q356Q350-E352 VanDerWaalsContact C-N 3.31Å; Q350-E352 PolarHBondContact O-N 2.92Å; Q350-E352 VanDerWaalsContact O-N 3.16Å; E352-K355 PolarHBondContact O-N 2.95Å; E352-K355 IonicContact OE1-NZ 2.74Å; E352-K355 PolarHBondContact OE1-NZ 3.28Å; E352-Q356 VanDerWaalsContact O-CG 3.26Å; E352-Q356 WeakPolarHBondContact O-CG 3.43Å; E352-Q356 PolarHBondContact O-N 3.03Å
353K95.6Very high95.4Very high105 Ų10574.8 Ų74.846%0.45741%0.405SS..Hα-helixtrans-69.8-36.5175.1-66-167.7-167.5165.20111.9L341 Q350 Q356 A357L341-K353 HydrophobicContact CD1-CB 4.13Å; L341-K353 HydrophobicContact CD2-CB 3.82Å; L341-K353 HydrophobicContact CD2-CD 4.31Å; Q350-K353 HydrophobicContact CB-CB 4.25Å; Q350-K353 PolarHBondContact O-N 2.85Å; Q350-K353 VanDerWaalsContact O-N 3.08Å; Q350-K353 VanDerWaalsContact OE1-CD 3.27Å; K353-Q356 PolarHBondContact O-N 3.32Å; K353-A357 WeakPolarHBondContact O-CB 3.43Å; K353-A357 PolarHBondContact O-N 3.48Å
354H96.5Very high95.6Very high26 Ų2672.7 Ų72.712%0.1240%0.396CS..Hα-helixtrans-59.9-48.9173.3175.978.7000111.4L341 A346 Q350 P351 Q356 A357 L358L341-H354 WeakPolarHBondContact O-CA 3.07Å; L341-H354 PolarHBondContact O-ND1 3.17Å; A346-H354 HydrophobicContact CB-CB 4.37Å; Q350-H354 PolarHBondContact O-N 3.49Å; P351-H354 PolarHBondContact O-N 3.25Å; H354-Q356 VanDerWaalsContact C-N 3.32Å; H354-Q356 PolarHBondContact O-N 2.92Å; H354-A357 PolarHBondContact O-N 2.88Å; H354-L358 VanDerWaalsContact NE2-CD1 3.32Å; H354-L358 WeakPolarHBondContact NE2-CD1 3.44Å; H354-L358 PolarHBondContact O-N 3.03Å
355K96.5Very high95.8Very high122 Ų12267 Ų6753%0.5337%0.371SS..Hα-helixtrans-59-41.9175-71.9173.4-169.7164.20112.3P351 E352 L358 A359P351-K355 WeakPolarHBondContact O-CG 3.33Å; P351-K355 PolarHBondContact O-N 3.29Å; E352-K355 PolarHBondContact O-N 2.95Å; E352-K355 IonicContact OE1-NZ 2.74Å; E352-K355 PolarHBondContact OE1-NZ 3.28Å; K355-L358 PolarHBondContact O-N 3.49Å; K355-A359 WeakPolarHBondContact O-CB 3.16Å; K355-A359 PolarHBondContact O-N 3.39Å
356Q96.4Very high96.1Very high120 Ų12063.6 Ų63.656%0.56135%0.347SS*.Hα-helixtrans-62.3-43.9176.3-73.6170.612.700111.9E352 K353 H354 L358 A359 L360E352-Q356 VanDerWaalsContact O-CG 3.26Å; E352-Q356 WeakPolarHBondContact O-CG 3.43Å; E352-Q356 PolarHBondContact O-N 3.03Å; K353-Q356 PolarHBondContact O-N 3.32Å; H354-Q356 VanDerWaalsContact C-N 3.32Å; H354-Q356 PolarHBondContact O-N 2.92Å; Q356-L358 PolarHBondContact O-N 3.04Å; Q356-A359 PolarHBondContact O-N 3.19Å; Q356-L360 WeakPolarHBondContact O-CG 3.4Å; Q356-L360 PolarHBondContact O-N 3.36Å
357A96.4Very high96.4Very high5 Ų563.4 Ų63.44%0.04135%0.345CS..Hα-helixtrans-60.8-43.417700000112V337 L341 L342 K353 H354 L360 L361V337-A357 HydrophobicContact CG1-CB 4.25Å; L341-A357 HydrophobicContact CB-CB 3.8Å; L341-A357 HydrophobicContact CD1-CB 4.46Å; L342-A357 HydrophobicContact CD2-CB 3.88Å; K353-A357 WeakPolarHBondContact O-CB 3.43Å; K353-A357 PolarHBondContact O-N 3.48Å; H354-A357 PolarHBondContact O-N 2.88Å; A357-L360 PolarHBondContact O-N 3.43Å; A357-L361 WeakPolarHBondContact O-CB 3.5Å; A357-L361 PolarHBondContact O-N 2.89Å
358L96.5Very high96.6Very high66 Ų6660.3 Ų60.335%0.34633%0.326SS..Hα-helixtrans-64.1-40.6174.2-73.3176.6000112.7L342 H354 K355 Q356 L361 N362L342-L358 HydrophobicContact CD2-CD2 3.81Å; L342-L358 HydrophobicContact CD2-CG 4.21Å; H354-L358 VanDerWaalsContact NE2-CD1 3.32Å; H354-L358 WeakPolarHBondContact NE2-CD1 3.44Å; H354-L358 PolarHBondContact O-N 3.03Å; K355-L358 PolarHBondContact O-N 3.49Å; Q356-L358 PolarHBondContact O-N 3.04Å; L358-L361 PolarHBondContact O-N 3.17Å; L358-N362 WeakPolarHBondContact O-CB 3.36Å; L358-N362 PolarHBondContact O-N 3.4Å
359A97.4Very high96.9Very high60 Ų6052.9 Ų52.950%0.49629%0.287SS..Hα-helixtrans-63.7-42.8177.500000111.7K355 Q356 N362 S363K355-A359 WeakPolarHBondContact O-CB 3.16Å; K355-A359 PolarHBondContact O-N 3.39Å; Q356-A359 PolarHBondContact O-N 3.19Å; A359-N362 PolarHBondContact O-N 3.45Å; A359-S363 WeakPolarHBondContact O-CB 3.43Å; A359-S363 PolarHBondContact O-N 3.27Å
360L96.9Very high97Very high77 Ų7749.2 Ų49.240%0.40326%0.257SS..Hα-helixtrans-60.2-48.9173.8-72.9172.4000111.2V335 V337 Q356 A357 N362 S363 A364V335-L360 HydrophobicContact CG1-CB 3.82Å; V335-L360 HydrophobicContact CG1-CD2 4.08Å; V335-L360 HydrophobicContact CG1-CG 4.45Å; V337-L360 HydrophobicContact CG2-CB 4.14Å; Q356-L360 WeakPolarHBondContact O-CG 3.4Å; Q356-L360 PolarHBondContact O-N 3.36Å; A357-L360 PolarHBondContact O-N 3.43Å; L360-N362 VanDerWaalsContact C-N 3.32Å; L360-N362 PolarHBondContact O-N 3.01Å; L360-S363 PolarHBondContact O-N 3.36Å; L360-S363 VanDerWaalsContact O-N 3.17Å; L360-S363 PolarHBondContact O-OG 2.99Å; L360-A364 PolarHBondContact O-N 3.27Å
361L97.2Very high96.8Very high1 Ų146 Ų461%0.00525%0.246CC..Hα-helixtrans-59.1-42.2178.3-17562.1000112.1A302 V304 L342 A357 L358 S363 A364 V367 A384 F387A302-L361 HydrophobicContact CB-CD1 3.83Å; V304-L361 HydrophobicContact CG2-CD1 3.88Å; L342-L361 HydrophobicContact CD1-CD2 4.21Å; A357-L361 WeakPolarHBondContact O-CB 3.5Å; A357-L361 PolarHBondContact O-N 2.89Å; L358-L361 PolarHBondContact O-N 3.17Å; L361-S363 VanDerWaalsContact C-N 3.35Å; L361-A364 PolarHBondContact O-N 3.19Å; L361-V367 HydrophobicContact CD1-CB 4.5Å; L361-V367 HydrophobicContact CD1-CG1 3.96Å; L361-V367 HydrophobicContact CD1-CG2 3.72Å; L361-A384 HydrophobicContact CD2-CB 4.3Å; L361-F387 HydrophobicContact CD2-CB 3.99Å; L361-F387 HydrophobicContact CD2-CD1 3.63Å; L361-F387 HydrophobicContact CD2-CD2 4.36Å; L361-F387 HydrophobicContact CD2-CE1 4.24Å; L361-F387 HydrophobicContact CD2-CG 3.72Å; L361-F387 HydrophobicContact CG-CD1 3.68Å; L361-F387 HydrophobicContact CG-CE1 3.86Å; L361-F387 HydrophobicContact CG-CG 4.26Å
362N97.4Very high96.5Very high88 Ų8844.3 Ų44.347%0.47124%0.239SC..Hα-helixtrans-68.2-33.6177.7-172.952.4000113.1L358 A359 L360 A364 F387 K393L358-N362 WeakPolarHBondContact O-CB 3.36Å; L358-N362 PolarHBondContact O-N 3.4Å; A359-N362 PolarHBondContact O-N 3.45Å; L360-N362 VanDerWaalsContact C-N 3.32Å; L360-N362 PolarHBondContact O-N 3.01Å; N362-A364 VanDerWaalsContact C-N 3.26Å; N362-A364 PolarHBondContact O-N 3.05Å; N362-F387 HydrophobicContact CB-CZ 3.79Å; N362-K393 PolarHBondContact O-NZ 2.82Å
363S97.2Very high95.6Very high57 Ų5744 Ų4440%0.39924%0.236SC..Hα-helixtrans-72.2-16.418077.10000114.3A359 L360 L361A359-S363 WeakPolarHBondContact O-CB 3.43Å; A359-S363 PolarHBondContact O-N 3.27Å; L360-S363 PolarHBondContact O-N 3.36Å; L360-S363 VanDerWaalsContact O-N 3.17Å; L360-S363 PolarHBondContact O-OG 2.99Å; L361-S363 VanDerWaalsContact C-N 3.35Å
364A98.2Very high95Very high0 Ų040.5 Ų40.50%023%0.229CC..  trans-80.2147.8-18000000112.1K300 A302 V335 L360 L361 N362 K393K300-A364 CarbonylContact O-C 3.21Å; A302-A364 HydrophobicContact CB-CB 3.55Å; V335-A364 HydrophobicContact CG2-CB 4.47Å; L360-A364 PolarHBondContact O-N 3.27Å; L361-A364 PolarHBondContact O-N 3.19Å; N362-A364 VanDerWaalsContact C-N 3.26Å; N362-A364 PolarHBondContact O-N 3.05Å; A364-K393 WeakPolarHBondContact O-CE 3.38Å; A364-K393 PolarHBondContact O-NZ 3.21Å
365D98.3Very high94.5Very high57 Ų5745 Ų4531%0.30526%0.255SS..SBendtrans-81-23.3179-53-49.9000111.9V299 K300 P394 A548V299-D365 HydrophobicContact CG2-CB 4.44Å; K300-D365 WeakPolarHBondContact CB-OD2 3.45Å; K300-D365 PolarHBondContact N-OD2 3.01Å; K300-D365 WeakPolarHBondContact O-CB 3.35Å; K300-D365 PolarHBondContact O-N 3Å; D365-P394 WeakPolarHBondContact O-CD 3.49Å; D365-A548 HydrophobicContact CB-CB 3.83Å
366G98.6Very high94.2Very high0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-149.8163.6173.300000112.3K300 I301 A302 P394K300-G366 PolarHBondContact O-N 3.44Å; I301-G366 WeakPolarHBondContact CA-O 3.47Å; A302-G366 PolarHBondContact N-O 2.66Å; G366-P394 CarbonylContact C-O 3.55Å; G366-P394 WeakPolarHBondContact CA-O 3.4Å
367V98.7Very high94.1Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-123.6133.9-177.2-176.70000109.8A302 V304 L361 A388 K393 P394 F395 L396A302-V367 CarbonylContact O-C 3.59Å; V304-V367 HydrophobicContact CG2-CG1 4.05Å; L361-V367 HydrophobicContact CD1-CB 4.5Å; L361-V367 HydrophobicContact CD1-CG1 3.96Å; L361-V367 HydrophobicContact CD1-CG2 3.72Å; V367-A388 HydrophobicContact CB-CB 4.25Å; V367-A388 HydrophobicContact CG2-CB 4.22Å; V367-K393 HydrophobicContact CG2-CB 4.34Å; V367-P394 PolarHBondContact N-O 3.35Å; V367-F395 HydrophobicContact CB-CD2 4.25Å; V367-F395 HydrophobicContact CG1-CD2 4.18Å; V367-F395 VanDerWaalsContact O-CA 3.29Å; V367-F395 WeakPolarHBondContact O-CA 3.17Å; V367-L396 PolarHBondContact O-N 3.21Å
368L98.7Very high94Very high0 Ų037.9 Ų37.90%022%0.218CC..EExtended strand (participates in β ladder)trans-125.7128.1173.9-174.5150.1000109.6I301 A302 L303 V304 V317 L321 P370 L396 I398 Y541 L544I301-L368 HydrophobicContact CG2-CB 4.22Å; A302-L368 PolarHBondContact O-N 2.8Å; L303-L368 HydrophobicContact CD1-CD2 4.19Å; L303-L368 HydrophobicContact CG-CD2 4.23Å; V304-L368 PolarHBondContact N-O 2.7Å; V317-L368 HydrophobicContact CG1-CD1 4.03Å; V317-L368 HydrophobicContact CG1-CD2 3.66Å; L321-L368 HydrophobicContact CD1-CD1 4.29Å; L321-L368 HydrophobicContact CD2-CD1 4.24Å; L321-L368 HydrophobicContact CG-CD1 4.44Å; L368-P370 HydrophobicContact CD2-CB 3.97Å; L368-P370 HydrophobicContact CD2-CG 4.41Å; L368-L396 WeakPolarHBondContact CA-O 3.32Å; L368-L396 HydrophobicContact CD1-CD2 4.15Å; L368-I398 HydrophobicContact CD1-CD1 4.14Å; L368-I398 HydrophobicContact CD2-CD1 4.38Å; L368-I398 HydrophobicContact CG-CD1 4.42Å; L368-Y541 HydrophobicContact CD1-CD1 4.14Å; L368-Y541 HydrophobicContact CD1-CE1 3.42Å; L368-Y541 VanDerWaalsContact CD1-CE1 3.42Å; L368-L544 HydrophobicContact CB-CD2 4.29Å; L368-L544 HydrophobicContact CD1-CD2 4.23Å
369V98.4Very high94Very high0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-111.6110.1169.8179.50000107.4V304 K381 A384 F395 L396 I398V304-V369 HydrophobicContact CB-CG2 4.18Å; V369-K381 HydrophobicContact CG1-CB 4.06Å; V369-K381 HydrophobicContact CG1-CD 4.06Å; V369-K381 HydrophobicContact CG1-CG 3.96Å; V369-A384 HydrophobicContact CG2-CB 4.45Å; V369-F395 HydrophobicContact CB-CE2 4.21Å; V369-F395 HydrophobicContact CB-CZ 4.44Å; V369-F395 HydrophobicContact CG2-CE2 3.73Å; V369-F395 HydrophobicContact CG2-CZ 4.35Å; V369-L396 PolarHBondContact N-O 3.41Å; V369-I398 PolarHBondContact O-N 3.14Å
370P96Very high94Very high1 Ų135.6 Ų35.61%0.00620%0.196CC..  trans-78.4178.2-176.334.4-34000111.5L303 V304 Y314 V317 L368 I398L303-P370 HydrophobicContact CD2-CG 4.28Å; L303-P370 HydrophobicContact CG-CG 4.48Å; V304-P370 WeakPolarHBondContact O-CD 3.26Å; Y314-P370 HydrophobicContact CD1-CB 3.9Å; Y314-P370 HydrophobicContact CD1-CG 3.78Å; Y314-P370 HydrophobicContact CE1-CB 3.82Å; Y314-P370 HydrophobicContact CE1-CG 3.33Å; V317-P370 HydrophobicContact CG2-CB 4.29Å; L368-P370 HydrophobicContact CD2-CB 3.97Å; L368-P370 HydrophobicContact CD2-CG 4.41Å; P370-I398 CarbonylContact C-O 3.59Å; P370-I398 VanDerWaalsContact C-O 3.3Å
371G91.2Very high94Very high14 Ų1432.1 Ų32.114%0.14418%0.177CC..  trans-60.8168.1168.800000113I398G371-I398 WeakPolarHBondContact CA-O 3.36Å; G371-I398 PolarHBondContact N-O 3.01Å; G371-I398 VanDerWaalsContact N-O 3.17Å
372G87.1Confident94.1Very high21 Ų2132.6 Ų32.622%0.21618%0.179CC..  trans177.4172.5175.400000112
373F79.2Confident94.1Very high105 Ų10530.4 Ų30.446%0.46117%0.174SC..  trans-133148.5179-64.2-86.2000110.5
374G83.3Confident94.2Very high30 Ų3027.7 Ų27.731%0.30916%0.155SC..SBendtrans83.9171.2177.600000114E423 F424G374-E423 PolarHBondContact N-OE1 3.08Å; G374-F424 WeakPolarHBondContact O-CE1 3.28Å
375D85.6Confident94.2Very high122 Ų12227.7 Ų27.765%0.65216%0.155SC*.SBendtrans-79.7-24.2-170.758.2-7.5000114.9G377 I378 F424D375-G377 PolarHBondContact O-N 3.11Å; D375-I378 WeakPolarHBondContact O-CB 3.49Å; D375-I378 WeakPolarHBondContact O-CG1 3.42Å; D375-I378 PolarHBondContact O-N 3.25Å; D375-F424 HydrophobicContact CB-CD1 4.26Å
376R90.4Very high94.2Very high93 Ų9330.7 Ų30.735%0.35116%0.162SC..THydrogen-bonded Turntrans-64126.1-175.7-162.4-177.889.8177.5-4.9112.5K306 E340 I378K306-R376 HydrophobicContact CD-CB 4.31Å; K306-R376 VanDerWaalsContact CE-NH2 3.3Å; E340-R376 HydrophobicContact CG-CG 4.26Å; E340-R376 WeakPolarHBondContact OE1-CD 3.4Å; E340-R376 WeakPolarHBondContact OE1-CG 3.16Å; E340-R376 IonicContact OE1-CZ 3.66Å; E340-R376 IonicContact OE1-NE 2.73Å; E340-R376 PolarHBondContact OE1-NE 2.67Å; E340-R376 VanDerWaalsContact OE1-NE 3.16Å; E340-R376 IonicContact OE2-CZ 2.75Å; E340-R376 IonicContact OE2-NE 2.7Å; E340-R376 PolarHBondContact OE2-NE 3.29Å; E340-R376 IonicContact OE2-NH2 3.14Å; R376-I378 VanDerWaalsContact C-N 3.31Å
377G93Very high94.2Very high0 Ų032.3 Ų32.30%017%0.169CC..THydrogen-bonded Turntrans80.75.6176.100000114.7S339 E343 D375 K381S339-G377 WeakPolarHBondContact CB-O 3.32Å; S339-G377 PolarHBondContact OG-O 3.46Å; E343-G377 WeakPolarHBondContact OE1-CA 3.46Å; E343-G377 PolarHBondContact OE1-N 3.46Å; D375-G377 PolarHBondContact O-N 3.11Å; G377-K381 WeakPolarHBondContact O-CG 3.41Å; G377-K381 PolarHBondContact O-N 3.29Å
378I95.7Very high94.2Very high4 Ų432.3 Ų32.32%0.02117%0.169CC..Hα-helixtrans-65.6-47.1-176.3-68-61.7000111.8D375 R376 G380 K381 I382 L400 F424D375-I378 WeakPolarHBondContact O-CB 3.49Å; D375-I378 WeakPolarHBondContact O-CG1 3.42Å; D375-I378 PolarHBondContact O-N 3.25Å; R376-I378 VanDerWaalsContact C-N 3.31Å; I378-G380 VanDerWaalsContact C-N 3.25Å; I378-G380 PolarHBondContact O-N 3.08Å; I378-K381 HydrophobicContact CD1-CD 4.44Å; I378-K381 WeakPolarHBondContact O-CB 3.49Å; I378-K381 PolarHBondContact O-N 3.29Å; I378-I382 HydrophobicContact CG2-CD1 3.79Å; I378-I382 HydrophobicContact CG2-CG1 4.38Å; I378-I382 WeakPolarHBondContact O-CG1 3.47Å; I378-I382 PolarHBondContact O-N 3.35Å; I378-L400 HydrophobicContact CD1-CD1 3.94Å; I378-L400 HydrophobicContact CD1-CD2 3.7Å; I378-L400 HydrophobicContact CD1-CG 4.24Å; I378-F424 HydrophobicContact CD1-CD1 4.5Å; I378-F424 HydrophobicContact CD1-CE1 3.82Å; I378-F424 HydrophobicContact CD1-CE2 3.85Å; I378-F424 HydrophobicContact CD1-CZ 3.48Å; I378-F424 VanDerWaalsContact CD1-CZ 3.48Å; I378-F424 HydrophobicContact CG1-CD1 4.01Å; I378-F424 HydrophobicContact CG1-CD2 4.22Å; I378-F424 HydrophobicContact CG1-CE1 3.81Å; I378-F424 HydrophobicContact CG1-CE2 4.04Å; I378-F424 HydrophobicContact CG1-CG 4.23Å; I378-F424 HydrophobicContact CG1-CZ 3.85Å; I378-F424 HydrophobicContact CG2-CD2 3.78Å; I378-F424 HydrophobicContact CG2-CE2 3.92Å; I378-F424 HydrophobicContact CG2-CG 4.35Å
379E96.3Very high94.2Very high78 Ų7834.4 Ų34.436%0.36418%0.177SC..Hα-helixtrans-62.6-35-178.5-69-60.9148.700111.7E343 I382 A383 R411E343-E379 HydrophobicContact CG-CB 4.21Å; E379-I382 PolarHBondContact O-N 2.86Å; E379-A383 WeakPolarHBondContact O-CB 3.34Å; E379-A383 PolarHBondContact O-N 2.98Å; E379-R411 IonicContact OE1-CZ 3.28Å; E379-R411 IonicContact OE1-NH1 3.89Å; E379-R411 PolarHBondContact OE1-NH1 3.38Å; E379-R411 VanDerWaalsContact OE1-NH1 3.17Å; E379-R411 IonicContact OE1-NH2 3.2Å; E379-R411 PolarHBondContact OE1-NH2 2.95Å; E379-R411 IonicContact OE2-CZ 3.59Å; E379-R411 IonicContact OE2-NH1 3.5Å; E379-R411 PolarHBondContact OE2-NH1 3Å; E379-R411 IonicContact OE2-NH2 3.16Å
380G97Very high94.1Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-68.6-33.7173.200000114.2S339 I378 A383 A384S339-G380 WeakPolarHBondContact O-CA 3.17Å; I378-G380 VanDerWaalsContact C-N 3.25Å; I378-G380 PolarHBondContact O-N 3.08Å; G380-A383 PolarHBondContact O-N 3.16Å; G380-A384 PolarHBondContact O-N 3.19Å
381K97.8Very high94.2Very high3 Ų342.8 Ų42.81%0.01322%0.218CC..Hα-helixtrans-67.6-42.1172-69.9169.6-174.9164.80111.3V369 G377 I378 A383 A384 C385 L400 C404V369-K381 HydrophobicContact CG1-CB 4.06Å; V369-K381 HydrophobicContact CG1-CD 4.06Å; V369-K381 HydrophobicContact CG1-CG 3.96Å; G377-K381 WeakPolarHBondContact O-CG 3.41Å; G377-K381 PolarHBondContact O-N 3.29Å; I378-K381 HydrophobicContact CD1-CD 4.44Å; I378-K381 WeakPolarHBondContact O-CB 3.49Å; I378-K381 PolarHBondContact O-N 3.29Å; K381-A383 VanDerWaalsContact C-N 3.29Å; K381-A383 PolarHBondContact O-N 3.39Å; K381-A384 WeakPolarHBondContact O-CB 3.41Å; K381-A384 PolarHBondContact O-N 3.07Å; K381-A384 VanDerWaalsContact O-N 3.15Å; K381-C385 PolarHBondContact O-N 3.08Å; K381-C385 PolarHBondContact O-SG 2.75Å; K381-C385 VanDerWaalsContact O-SG 3.34Å; K381-L400 HydrophobicContact CD-CD2 4.31Å; K381-L400 VanDerWaalsContact NZ-CD2 3.34Å; K381-C404 HydrophobicContact CB-CB 4.37Å
382I98Very high94.5Very high11 Ų1148.6 Ų48.66%0.05624%0.24CC..Hα-helixtrans-58.7-43.9173.6-66.6167.2000109.8I378 E379 A384 C385 R386 C404 I407 E408I378-I382 HydrophobicContact CG2-CD1 3.79Å; I378-I382 HydrophobicContact CG2-CG1 4.38Å; I378-I382 WeakPolarHBondContact O-CG1 3.47Å; I378-I382 PolarHBondContact O-N 3.35Å; E379-I382 PolarHBondContact O-N 2.86Å; I382-A384 VanDerWaalsContact C-N 3.34Å; I382-A384 PolarHBondContact O-N 2.85Å; I382-C385 WeakPolarHBondContact O-CB 3.48Å; I382-C385 PolarHBondContact O-N 3.02Å; I382-R386 PolarHBondContact O-N 2.91Å; I382-C404 HydrophobicContact CG1-CB 4.14Å; I382-I407 HydrophobicContact CD1-CB 4.26Å; I382-I407 HydrophobicContact CD1-CG2 3.63Å; I382-I407 HydrophobicContact CG1-CB 4.49Å; I382-I407 HydrophobicContact CG1-CG2 4.28Å; I382-E408 HydrophobicContact CG2-CB 3.87Å; I382-E408 HydrophobicContact CG2-CG 4.21Å
383A97.7Very high95.1Very high42 Ų4249.7 Ų49.735%0.34724%0.239SC..Hα-helixtrans-61.3-39.217500000112.7E379 G380 K381 R386 F387E379-A383 WeakPolarHBondContact O-CB 3.34Å; E379-A383 PolarHBondContact O-N 2.98Å; G380-A383 PolarHBondContact O-N 3.16Å; K381-A383 VanDerWaalsContact C-N 3.29Å; K381-A383 PolarHBondContact O-N 3.39Å; A383-R386 WeakPolarHBondContact O-CB 3.41Å; A383-R386 PolarHBondContact O-N 2.84Å; A383-F387 WeakPolarHBondContact O-CB 3.08Å; A383-F387 PolarHBondContact O-N 3Å
384A98.4Very high96Very high0 Ų045.2 Ų45.20%022%0.22CC..Hα-helixtrans-66.3-40.4174.800000112.9V304 L342 L361 V369 G380 K381 I382 R386 F387 A388V304-A384 HydrophobicContact CB-CB 4.24Å; V304-A384 HydrophobicContact CG1-CB 3.87Å; V304-A384 HydrophobicContact CG2-CB 3.91Å; L342-A384 HydrophobicContact CD1-CB 4Å; L361-A384 HydrophobicContact CD2-CB 4.3Å; V369-A384 HydrophobicContact CG2-CB 4.45Å; G380-A384 PolarHBondContact O-N 3.19Å; K381-A384 WeakPolarHBondContact O-CB 3.41Å; K381-A384 PolarHBondContact O-N 3.07Å; K381-A384 VanDerWaalsContact O-N 3.15Å; I382-A384 VanDerWaalsContact C-N 3.34Å; I382-A384 PolarHBondContact O-N 2.85Å; A384-R386 VanDerWaalsContact C-N 3.27Å; A384-R386 PolarHBondContact O-N 3.32Å; A384-F387 PolarHBondContact O-N 2.87Å; A384-A388 PolarHBondContact O-N 2.92Å
385C98.6Very high96.7Very high0 Ų043.8 Ų43.80%021%0.205CC..Hα-helixtrans-58.3-41.4172.9-68.70000111.5K381 I382 R389 F395 A405 E408 Y521K381-C385 PolarHBondContact O-N 3.08Å; K381-C385 PolarHBondContact O-SG 2.75Å; K381-C385 VanDerWaalsContact O-SG 3.34Å; I382-C385 WeakPolarHBondContact O-CB 3.48Å; I382-C385 PolarHBondContact O-N 3.02Å; C385-R389 WeakPolarHBondContact O-CB 3.47Å; C385-R389 PolarHBondContact O-N 3.02Å; C385-R389 VanDerWaalsContact O-N 3.14Å; C385-F395 VanDerWaalsContact SG-CZ 3.54Å; C385-A405 HydrophobicContact CB-CB 4.41Å; C385-E408 HydrophobicContact CB-CB 4.09Å; C385-E408 HydrophobicContact CB-CG 4.21Å; C385-Y521 PolarHBondContact O-OH 3.09Å; C385-Y521 VanDerWaalsContact O-OH 3.04Å
386R98.4Very high97.4Very high121 Ų12138 Ų3846%0.45717%0.174SC..Hα-helixtrans-65.2-49.3176.2-178.4173.3178.5-1780.3111.1I382 A383 A384 A388 R389 E390 E408I382-R386 PolarHBondContact O-N 2.91Å; A383-R386 WeakPolarHBondContact O-CB 3.41Å; A383-R386 PolarHBondContact O-N 2.84Å; A384-R386 VanDerWaalsContact C-N 3.27Å; A384-R386 PolarHBondContact O-N 3.32Å; R386-A388 VanDerWaalsContact C-N 3.29Å; R386-A388 PolarHBondContact O-N 2.8Å; R386-R389 PolarHBondContact O-N 3.23Å; R386-E390 HydrophobicContact CG-CG 4.24Å; R386-E390 WeakPolarHBondContact CG-OE1 3.24Å; R386-E390 IonicContact CZ-OE1 3.85Å; R386-E390 IonicContact NE-OE1 2.8Å; R386-E390 PolarHBondContact NE-OE1 3.07Å; R386-E390 IonicContact NE-OE2 3.75Å; R386-E390 PolarHBondContact NE-OE2 3.11Å; R386-E390 IonicContact NH2-OE1 3.89Å; R386-E390 PolarHBondContact NH2-OE1 2.99Å; R386-E390 WeakPolarHBondContact O-CG 3.21Å; R386-E390 PolarHBondContact O-N 2.62Å; R386-E408 HydrophobicContact CB-CG 3.54Å; R386-E408 WeakPolarHBondContact CB-OE1 3.42Å; R386-E408 HydrophobicContact CG-CG 4.39Å; R386-E408 WeakPolarHBondContact CG-OE1 3.49Å
387F98.4Very high97.8Very high34 Ų3433.6 Ų33.615%0.14916%0.158CC..Hα-helixtrans-55.2-47.2179179.5-87.4000110.9L361 N362 A383 A384 R389 N391 K393L361-F387 HydrophobicContact CD2-CB 3.99Å; L361-F387 HydrophobicContact CD2-CD1 3.63Å; L361-F387 HydrophobicContact CD2-CD2 4.36Å; L361-F387 HydrophobicContact CD2-CE1 4.24Å; L361-F387 HydrophobicContact CD2-CG 3.72Å; L361-F387 HydrophobicContact CG-CD1 3.68Å; L361-F387 HydrophobicContact CG-CE1 3.86Å; L361-F387 HydrophobicContact CG-CG 4.26Å; N362-F387 HydrophobicContact CB-CZ 3.79Å; A383-F387 WeakPolarHBondContact O-CB 3.08Å; A383-F387 PolarHBondContact O-N 3Å; A384-F387 PolarHBondContact O-N 2.87Å; F387-R389 PolarHBondContact O-N 3.43Å; F387-N391 WeakPolarHBondContact CD2-ND2 3.13Å; F387-N391 HydrophobicContact CE1-CB 4.46Å; F387-N391 WeakPolarHBondContact CE2-ND2 3.44Å; F387-N391 WeakPolarHBondContact O-CB 3.47Å; F387-N391 PolarHBondContact O-N 3.19Å; F387-N391 PolarHBondContact O-ND2 3.04Å; F387-K393 HydrophobicContact CE1-CG 4.32Å
388A98.6Very high98Very high0 Ų033.6 Ų33.60%016%0.158CC..Hα-helixtrans-62-45.5179.300000111.7V367 A384 R386 K392 K393 F395 H518 Y521V367-A388 HydrophobicContact CB-CB 4.25Å; V367-A388 HydrophobicContact CG2-CB 4.22Å; A384-A388 PolarHBondContact O-N 2.92Å; R386-A388 VanDerWaalsContact C-N 3.29Å; R386-A388 PolarHBondContact O-N 2.8Å; A388-K392 WeakPolarHBondContact O-CA 3.45Å; A388-K392 PolarHBondContact O-N 2.82Å; A388-K393 HydrophobicContact CB-CB 4.47Å; A388-K393 PolarHBondContact O-N 2.63Å; A388-F395 HydrophobicContact CB-CB 3.96Å; A388-F395 HydrophobicContact CB-CD2 3.95Å; A388-F395 HydrophobicContact CB-CG 4.24Å; A388-H518 PolarHBondContact O-NE2 2.8Å; A388-Y521 HydrophobicContact CB-CE2 4.28Å
389R98.5Very high98.1Very high44 Ų4433.6 Ų33.617%0.16616%0.158CC..Hα-helixtrans-60.4-50.2178.4-177.4179.161.363.56.8112.4C385 R386 F387 K392 E408 L515 Y521C385-R389 WeakPolarHBondContact O-CB 3.47Å; C385-R389 PolarHBondContact O-N 3.02Å; C385-R389 VanDerWaalsContact O-N 3.14Å; R386-R389 PolarHBondContact O-N 3.23Å; F387-R389 PolarHBondContact O-N 3.43Å; R389-K392 PolarHBondContact O-N 2.88Å; R389-E408 IonicContact CZ-OE1 3.36Å; R389-E408 IonicContact CZ-OE2 2.82Å; R389-E408 IonicContact NE-OE1 2.69Å; R389-E408 PolarHBondContact NE-OE1 2.89Å; R389-E408 IonicContact NE-OE2 3.57Å; R389-E408 PolarHBondContact NE-OE2 3.48Å; R389-E408 IonicContact NH2-OE1 3.43Å; R389-E408 PolarHBondContact NH2-OE1 3.03Å; R389-E408 IonicContact NH2-OE2 3.43Å; R389-L515 HydrophobicContact CG-CD2 3.65Å; R389-Y521 HydrophobicContact CB-CD2 4.35Å; R389-Y521 HydrophobicContact CB-CE2 3.72Å
390E98.1Very high98.1Very high94 Ų9430 Ų3044%0.43914%0.141SC..Hα-helixtrans-72.4-35-173.8-69.9179.7176.600112.2R386 K392R386-E390 HydrophobicContact CG-CG 4.24Å; R386-E390 WeakPolarHBondContact CG-OE1 3.24Å; R386-E390 IonicContact CZ-OE1 3.85Å; R386-E390 IonicContact NE-OE1 2.8Å; R386-E390 PolarHBondContact NE-OE1 3.07Å; R386-E390 IonicContact NE-OE2 3.75Å; R386-E390 PolarHBondContact NE-OE2 3.11Å; R386-E390 IonicContact NH2-OE1 3.89Å; R386-E390 PolarHBondContact NH2-OE1 2.99Å; R386-E390 WeakPolarHBondContact O-CG 3.21Å; R386-E390 PolarHBondContact O-N 2.62Å; E390-K392 VanDerWaalsContact C-N 3.34Å
391N97.8Very high98.2Very high82 Ų8230 Ų3044%0.43914%0.141SC..THydrogen-bonded Turntrans-91.35.4178.8-64.1-82.2000113.5F387 K393F387-N391 WeakPolarHBondContact CD2-ND2 3.13Å; F387-N391 HydrophobicContact CE1-CB 4.46Å; F387-N391 WeakPolarHBondContact CE2-ND2 3.44Å; F387-N391 WeakPolarHBondContact O-CB 3.47Å; F387-N391 PolarHBondContact O-N 3.19Å; F387-N391 PolarHBondContact O-ND2 3.04Å; N391-K393 HydrophobicContact CB-CG 4.13Å; N391-K393 PolarHBondContact O-N 3.38Å
392K97.6Very high98.2Very high137 Ų13729.9 Ų29.960%0.59614%0.141SC*.THydrogen-bonded Turntrans53.930.6-177.1-61.1-174.5178.1-178.10114.1A388 R389 E390 H518 P519A388-K392 WeakPolarHBondContact O-CA 3.45Å; A388-K392 PolarHBondContact O-N 2.82Å; R389-K392 PolarHBondContact O-N 2.88Å; E390-K392 VanDerWaalsContact C-N 3.34Å; K392-H518 VanDerWaalsContact CA-NE2 3.33Å; K392-H518 WeakPolarHBondContact CA-NE2 3.47Å; K392-P519 HydrophobicContact CB-CG 4.38Å
393K98.1Very high98.2Very high44 Ų4429.6 Ų29.619%0.19114%0.139CC..  trans-79.4127.3177.5-70.1-77.3-170166.80109.2N362 A364 V367 F387 A388 N391 F395 H518N362-K393 PolarHBondContact O-NZ 2.82Å; A364-K393 WeakPolarHBondContact O-CE 3.38Å; A364-K393 PolarHBondContact O-NZ 3.21Å; V367-K393 HydrophobicContact CG2-CB 4.34Å; F387-K393 HydrophobicContact CE1-CG 4.32Å; A388-K393 HydrophobicContact CB-CB 4.47Å; A388-K393 PolarHBondContact O-N 2.63Å; N391-K393 HydrophobicContact CB-CG 4.13Å; N391-K393 PolarHBondContact O-N 3.38Å; K393-F395 PolarHBondContact O-N 2.96Å; K393-H518 PolarHBondContact O-CE1 3.05Å; K393-H518 PolarHBondContact O-NE2 3.44Å
394P98.7Very high98.2Very high11 Ų1127.6 Ų27.67%0.07112%0.123CC..  trans-43.7131.1173.6-32.937.5000112.9D365 G366 V367 Y520 L544 A547D365-P394 WeakPolarHBondContact O-CD 3.49Å; G366-P394 CarbonylContact C-O 3.55Å; G366-P394 WeakPolarHBondContact CA-O 3.4Å; V367-P394 PolarHBondContact N-O 3.35Å; P394-Y520 CarbonylContact C-O 3.55Å; P394-Y520 VanDerWaalsContact CA-O 3.3Å; P394-Y520 WeakPolarHBondContact CA-O 3.44Å; P394-L544 HydrophobicContact CB-CD1 3.89Å; P394-A547 HydrophobicContact CB-CB 3.77Å; P394-A547 HydrophobicContact CG-CB 3.74Å
395F98.8Very high98.2Very high0 Ų027.6 Ų27.60%012%0.123CC..EExtended strand (participates in β ladder)trans-133.7135.6-171.6174.1-97.6000112.3V367 V369 C385 A388 K393 G397 A405 Y520 Y521 V522V367-F395 HydrophobicContact CB-CD2 4.25Å; V367-F395 HydrophobicContact CG1-CD2 4.18Å; V367-F395 VanDerWaalsContact O-CA 3.29Å; V367-F395 WeakPolarHBondContact O-CA 3.17Å; V369-F395 HydrophobicContact CB-CE2 4.21Å; V369-F395 HydrophobicContact CB-CZ 4.44Å; V369-F395 HydrophobicContact CG2-CE2 3.73Å; V369-F395 HydrophobicContact CG2-CZ 4.35Å; C385-F395 VanDerWaalsContact SG-CZ 3.54Å; A388-F395 HydrophobicContact CB-CB 3.96Å; A388-F395 HydrophobicContact CB-CD2 3.95Å; A388-F395 HydrophobicContact CB-CG 4.24Å; K393-F395 PolarHBondContact O-N 2.96Å; F395-G397 VanDerWaalsContact CE1-N 3.3Å; F395-A405 HydrophobicContact CE1-CB 4.07Å; F395-A405 HydrophobicContact CZ-CB 4.31Å; F395-Y520 PolarHBondContact N-O 3.38Å; F395-Y520 VanDerWaalsContact O-CD1 3.3Å; F395-Y520 WeakPolarHBondContact O-CD1 3.37Å; F395-Y520 WeakPolarHBondContact O-CE1 3.32Å; F395-Y521 HydrophobicContact CB-CD2 3.61Å; F395-Y521 HydrophobicContact CB-CE2 3.92Å; F395-Y521 HydrophobicContact CB-CG 4.14Å; F395-Y521 AromaticContact CD1-CD1 3.79Å; F395-Y521 HydrophobicContact CD1-CD1 3.79Å; F395-Y521 AromaticContact CD1-CD2 3.84Å; F395-Y521 HydrophobicContact CD1-CD2 3.84Å; F395-Y521 AromaticContact CD1-CE1 3.65Å; F395-Y521 HydrophobicContact CD1-CE1 3.65Å; F395-Y521 AromaticContact CD1-CE2 3.71Å; F395-Y521 HydrophobicContact CD1-CE2 3.71Å; F395-Y521 AromaticContact CD1-CG 3.88Å; F395-Y521 HydrophobicContact CD1-CG 3.88Å; F395-Y521 AromaticContact CD1-CZ 3.62Å; F395-Y521 HydrophobicContact CE1-CD1 4.35Å; F395-Y521 AromaticContact CE1-CE1 3.85Å; F395-Y521 HydrophobicContact CE1-CE1 3.85Å; F395-Y521 HydrophobicContact CE1-CE2 4.38Å; F395-Y521 AromaticContact CE1-CZ 3.87Å; F395-Y521 AromaticContact CG-CD2 3.92Å; F395-Y521 HydrophobicContact CG-CD2 3.92Å; F395-Y521 AromaticContact CG-CE2 3.78Å; F395-Y521 HydrophobicContact CG-CE2 3.78Å; F395-Y521 HydrophobicContact CG-CG 4.36Å; F395-V522 PolarHBondContact O-N 2.95Å
396L98.9Very high98.2Very high0 Ų027.6 Ų27.60%012%0.123CC..EExtended strand (participates in β ladder)trans-127.2116.4166.4-177.860.1000110.4V367 L368 V369 I398 V522 V524 P540 Y541 L544V367-L396 PolarHBondContact O-N 3.21Å; L368-L396 WeakPolarHBondContact CA-O 3.32Å; L368-L396 HydrophobicContact CD1-CD2 4.15Å; V369-L396 PolarHBondContact N-O 3.41Å; L396-I398 HydrophobicContact CD2-CD1 4.29Å; L396-I398 HydrophobicContact CD2-CG1 4.36Å; L396-I398 HydrophobicContact CG-CG1 4.1Å; L396-V522 CarbonylContact C-O 3.38Å; L396-V522 VanDerWaalsContact CA-O 3.31Å; L396-V522 WeakPolarHBondContact CA-O 3.35Å; L396-V522 HydrophobicContact CD1-CB 4.2Å; L396-V522 HydrophobicContact CD1-CG1 3.96Å; L396-V524 HydrophobicContact CD1-CG2 4.43Å; L396-P540 HydrophobicContact CD1-CB 3.95Å; L396-P540 HydrophobicContact CD2-CB 4.15Å; L396-Y541 HydrophobicContact CD2-CD1 4.28Å; L396-Y541 HydrophobicContact CD2-CD2 4.28Å; L396-Y541 HydrophobicContact CD2-CE1 4.38Å; L396-Y541 HydrophobicContact CD2-CE2 4.41Å; L396-Y541 HydrophobicContact CD2-CG 4.24Å; L396-L544 HydrophobicContact CB-CB 4.47Å; L396-L544 HydrophobicContact CB-CD1 4.31Å; L396-L544 HydrophobicContact CB-CD2 3.95Å; L396-L544 HydrophobicContact CB-CG 4.48Å
397G98.7Very high98.3Very high0 Ų021.8 Ų21.80%010%0.101CC..EExtended strand (participates in β ladder)trans-100.6126.5170.700000110.8F395 V522 G523 V524F395-G397 VanDerWaalsContact CE1-N 3.3Å; G397-V522 PolarHBondContact N-O 2.58Å; G397-G523 CarbonylContact O-C 3.52Å; G397-G523 WeakPolarHBondContact O-CA 3.42Å; G397-V524 PolarHBondContact O-N 2.94Å
398I98.5Very high98.3Very high0 Ų020.2 Ų20.20%09%0.094CC..EExtended strand (participates in β ladder)trans-113.9125.9-178-59.6173.5000109.6L368 V369 P370 G371 L396 L400 G401 V524 P528 Y541L368-I398 HydrophobicContact CD1-CD1 4.14Å; L368-I398 HydrophobicContact CD2-CD1 4.38Å; L368-I398 HydrophobicContact CG-CD1 4.42Å; V369-I398 PolarHBondContact O-N 3.14Å; P370-I398 CarbonylContact C-O 3.59Å; P370-I398 VanDerWaalsContact C-O 3.3Å; G371-I398 WeakPolarHBondContact CA-O 3.36Å; G371-I398 PolarHBondContact N-O 3.01Å; G371-I398 VanDerWaalsContact N-O 3.17Å; L396-I398 HydrophobicContact CD2-CD1 4.29Å; L396-I398 HydrophobicContact CD2-CG1 4.36Å; L396-I398 HydrophobicContact CG-CG1 4.1Å; I398-L400 PolarHBondContact O-N 3Å; I398-G401 PolarHBondContact O-N 3.2Å; I398-V524 CarbonylContact C-O 3.57Å; I398-V524 HydrophobicContact CG1-CG2 4.39Å; I398-P528 HydrophobicContact CD1-CG 4.3Å; I398-P528 HydrophobicContact CG1-CG 4.34Å; I398-Y541 HydrophobicContact CD1-CE1 4.41Å; I398-Y541 HydrophobicContact CD1-CE2 4.09Å; I398-Y541 WeakPolarHBondContact CD1-OH 3.15Å
399C97.4Very high98.3Very high5 Ų520.5 Ų20.53%0.03410%0.095CC..THydrogen-bonded Turntrans51.5-105.8-179.7179.30000109.9G401 M402 Q403 V524 H527C399-G401 PolarHBondContact O-N 3.4Å; C399-G401 VanDerWaalsContact O-N 3.14Å; C399-M402 WeakPolarHBondContact O-CB 3.31Å; C399-M402 PolarHBondContact O-N 3.37Å; C399-Q403 PolarHBondContact O-N 3.15Å; C399-V524 PolarHBondContact N-O 2.85Å; C399-H527 WeakPolarHBondContact CB-NE2 3.21Å
400L96.7Very high98.3Very high2 Ų218.4 Ų18.41%0.019%0.087CC..Hα-helixtrans-52.2-35.1172-178.560.5000113.7I378 K381 I398 M402 Q403 C404 F424I378-L400 HydrophobicContact CD1-CD1 3.94Å; I378-L400 HydrophobicContact CD1-CD2 3.7Å; I378-L400 HydrophobicContact CD1-CG 4.24Å; K381-L400 HydrophobicContact CD-CD2 4.31Å; K381-L400 VanDerWaalsContact NZ-CD2 3.34Å; I398-L400 PolarHBondContact O-N 3Å; L400-M402 VanDerWaalsContact C-N 3.31Å; L400-M402 PolarHBondContact O-N 2.98Å; L400-Q403 HydrophobicContact CD1-CB 4.47Å; L400-Q403 WeakPolarHBondContact O-CB 3.33Å; L400-Q403 PolarHBondContact O-N 2.85Å; L400-Q403 VanDerWaalsContact O-N 3.14Å; L400-C404 PolarHBondContact O-N 3.04Å; L400-C404 PolarHBondContact O-SG 3.34Å; L400-C404 VanDerWaalsContact O-SG 3.35Å; L400-F424 HydrophobicContact CD1-CE2 4.1Å; L400-F424 HydrophobicContact CD1-CZ 3.66Å
401G97.9Very high98.3Very high0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-62.2-35.2176.300000113.6I398 C399 A405I398-G401 PolarHBondContact O-N 3.2Å; C399-G401 PolarHBondContact O-N 3.4Å; C399-G401 VanDerWaalsContact O-N 3.14Å; G401-A405 PolarHBondContact O-N 2.91Å
402M98.4Very high98.2Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-67.2-42.8171.7176.1173.616500110.7C399 L400 A405 V406 V485 F500 M510 C513 V524 Q525C399-M402 WeakPolarHBondContact O-CB 3.31Å; C399-M402 PolarHBondContact O-N 3.37Å; L400-M402 VanDerWaalsContact C-N 3.31Å; L400-M402 PolarHBondContact O-N 2.98Å; M402-A405 WeakPolarHBondContact O-CB 3.14Å; M402-A405 PolarHBondContact O-N 3.19Å; M402-V406 WeakPolarHBondContact O-CG2 3.46Å; M402-V406 PolarHBondContact O-N 3.42Å; M402-V485 HydrophobicContact CE-CG2 4.21Å; M402-F500 HydrophobicContact CE-CD1 4.07Å; M402-F500 HydrophobicContact CE-CE1 3.92Å; M402-M510 HydrophobicContact CE-CB 4.41Å; M402-M510 WeakPolarHBondContact CE-O 3.46Å; M402-C513 HydrophobicContact CE-CB 4.05Å; M402-V524 VanDerWaalsContact SD-C 3.55Å; M402-Q525 HydrophobicContact CE-CG 4.26Å; M402-Q525 HydrophobicContact SD-CB 4.34Å; M402-Q525 HydrophobicContact SD-CG 3.75Å
403Q98.3Very high98.3Very high5 Ų510.8 Ų10.82%0.0236%0.058CC..Hα-helixtrans-63.5-42.7179.1-61.1174.119.600111.8C399 L400 A405 V406 I407 V433 Y483C399-Q403 PolarHBondContact O-N 3.15Å; L400-Q403 HydrophobicContact CD1-CB 4.47Å; L400-Q403 WeakPolarHBondContact O-CB 3.33Å; L400-Q403 PolarHBondContact O-N 2.85Å; L400-Q403 VanDerWaalsContact O-N 3.14Å; Q403-A405 VanDerWaalsContact C-N 3.31Å; Q403-A405 PolarHBondContact O-N 2.89Å; Q403-V406 WeakPolarHBondContact O-CB 3.42Å; Q403-V406 PolarHBondContact O-N 3.18Å; Q403-I407 WeakPolarHBondContact O-CG1 3.33Å; Q403-I407 PolarHBondContact O-N 2.85Å; Q403-V433 HydrophobicContact CB-CG1 4.42Å; Q403-V433 HydrophobicContact CB-CG2 4.16Å; Q403-V433 HydrophobicContact CG-CG1 4.14Å; Q403-V433 HydrophobicContact CG-CG2 4.4Å; Q403-Y483 PolarHBondContact NE2-O 3.04Å
404C98.2Very high98.3Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-59.9-40.2173.6-70.90000112.1K381 I382 L400 I407 E408K381-C404 HydrophobicContact CB-CB 4.37Å; I382-C404 HydrophobicContact CG1-CB 4.14Å; L400-C404 PolarHBondContact O-N 3.04Å; L400-C404 PolarHBondContact O-SG 3.34Å; L400-C404 VanDerWaalsContact O-SG 3.35Å; C404-I407 PolarHBondContact O-N 3.39Å; C404-E408 WeakPolarHBondContact O-CB 3.48Å; C404-E408 PolarHBondContact O-N 2.88Å
405A98.6Very high98.2Very high0 Ų014.1 Ų14.10%08%0.084CC..Hα-helixtrans-65.3-38.7176.100000112.6C385 F395 G401 M402 Q403 E408 F409 F498 Y521C385-A405 HydrophobicContact CB-CB 4.41Å; F395-A405 HydrophobicContact CE1-CB 4.07Å; F395-A405 HydrophobicContact CZ-CB 4.31Å; G401-A405 PolarHBondContact O-N 2.91Å; M402-A405 WeakPolarHBondContact O-CB 3.14Å; M402-A405 PolarHBondContact O-N 3.19Å; Q403-A405 VanDerWaalsContact C-N 3.31Å; Q403-A405 PolarHBondContact O-N 2.89Å; A405-E408 PolarHBondContact O-N 3.04Å; A405-F409 WeakPolarHBondContact O-CB 3.5Å; A405-F409 PolarHBondContact O-N 2.88Å; A405-F498 HydrophobicContact CB-CZ 4.44Å; A405-Y521 HydrophobicContact CB-CE1 3.93Å
406V98.7Very high98.1Very high0 Ų015 Ų150%09%0.089CC..Hα-helixtrans-63-45.8174169.30000111M402 Q403 F409 A410 V432 V433 V485 F493 F498 F500M402-V406 WeakPolarHBondContact O-CG2 3.46Å; M402-V406 PolarHBondContact O-N 3.42Å; Q403-V406 WeakPolarHBondContact O-CB 3.42Å; Q403-V406 PolarHBondContact O-N 3.18Å; V406-F409 PolarHBondContact O-N 3.02Å; V406-A410 WeakPolarHBondContact O-CB 3.44Å; V406-A410 PolarHBondContact O-N 3.42Å; V406-V432 HydrophobicContact CG1-CB 4.3Å; V406-V432 HydrophobicContact CG1-CG2 4.31Å; V406-V433 HydrophobicContact CG1-CG2 4.14Å; V406-V485 HydrophobicContact CG1-CG1 4.16Å; V406-V485 HydrophobicContact CG1-CG2 4.42Å; V406-V485 HydrophobicContact CG2-CG2 3.96Å; V406-F493 HydrophobicContact CG1-CE1 4.01Å; V406-F493 HydrophobicContact CG1-CE2 4.15Å; V406-F493 HydrophobicContact CG1-CZ 3.53Å; V406-F493 WeakPolarHBondContact O-CE1 3.49Å; V406-F498 HydrophobicContact CG2-CE1 3.9Å; V406-F498 HydrophobicContact CG2-CZ 4.08Å; V406-F500 HydrophobicContact CG2-CE1 4.27Å; V406-F500 HydrophobicContact CG2-CZ 4.29Å
407I98.5Very high97.9Very high0 Ų019.8 Ų19.80%012%0.122CC..Hα-helixtrans-62.4-47.7177.5-65.6164.2000110.5I382 Q403 C404 F409 A410 R411 A419 V432 V433I382-I407 HydrophobicContact CD1-CB 4.26Å; I382-I407 HydrophobicContact CD1-CG2 3.63Å; I382-I407 HydrophobicContact CG1-CB 4.49Å; I382-I407 HydrophobicContact CG1-CG2 4.28Å; Q403-I407 WeakPolarHBondContact O-CG1 3.33Å; Q403-I407 PolarHBondContact O-N 2.85Å; C404-I407 PolarHBondContact O-N 3.39Å; I407-F409 PolarHBondContact O-N 3.05Å; I407-A410 PolarHBondContact O-N 2.71Å; I407-R411 HydrophobicContact CG2-CG 4.49Å; I407-R411 WeakPolarHBondContact O-CG 3.33Å; I407-R411 PolarHBondContact O-N 3.15Å; I407-A419 WeakPolarHBondContact CG2-O 3.48Å; I407-V432 HydrophobicContact CG1-CG2 3.96Å; I407-V433 HydrophobicContact CG1-CG2 4.44Å
408E98.3Very high97.8Very high1 Ų122.1 Ų22.11%0.00514%0.135CC..Hα-helixtrans-55.4-51.1177.6-172.4-80.6139.200111.6I382 C385 R386 R389 C404 A405 A410 R411 S412I382-E408 HydrophobicContact CG2-CB 3.87Å; I382-E408 HydrophobicContact CG2-CG 4.21Å; C385-E408 HydrophobicContact CB-CB 4.09Å; C385-E408 HydrophobicContact CB-CG 4.21Å; R386-E408 HydrophobicContact CB-CG 3.54Å; R386-E408 WeakPolarHBondContact CB-OE1 3.42Å; R386-E408 HydrophobicContact CG-CG 4.39Å; R386-E408 WeakPolarHBondContact CG-OE1 3.49Å; R389-E408 IonicContact CZ-OE1 3.36Å; R389-E408 IonicContact CZ-OE2 2.82Å; R389-E408 IonicContact NE-OE1 2.69Å; R389-E408 PolarHBondContact NE-OE1 2.89Å; R389-E408 IonicContact NE-OE2 3.57Å; R389-E408 PolarHBondContact NE-OE2 3.48Å; R389-E408 IonicContact NH2-OE1 3.43Å; R389-E408 PolarHBondContact NH2-OE1 3.03Å; R389-E408 IonicContact NH2-OE2 3.43Å; C404-E408 WeakPolarHBondContact O-CB 3.48Å; C404-E408 PolarHBondContact O-N 2.88Å; A405-E408 PolarHBondContact O-N 3.04Å; E408-A410 VanDerWaalsContact C-N 3.31Å; E408-A410 PolarHBondContact O-N 2.91Å; E408-R411 PolarHBondContact O-N 3.43Å; E408-S412 WeakPolarHBondContact O-CB 3.23Å; E408-S412 PolarHBondContact O-N 3.35Å; E408-S412 PolarHBondContact O-OG 3.47Å; E408-S412 WeakPolarHBondContact OE1-CB 3.41Å; E408-S412 PolarHBondContact OE1-OG 2.93Å
409F98.7Very high97.8Very high5 Ų522.1 Ų22.12%0.02214%0.135CC..Hα-helixtrans-66.1-36.7-176.8-168.2-85.8000111.7A405 V406 I407 V413 L414 F493 N496 F498 L515A405-F409 WeakPolarHBondContact O-CB 3.5Å; A405-F409 PolarHBondContact O-N 2.88Å; V406-F409 PolarHBondContact O-N 3.02Å; I407-F409 PolarHBondContact O-N 3.05Å; F409-V413 HydrophobicContact CD1-CB 4.08Å; F409-V413 HydrophobicContact CD2-CB 4.18Å; F409-V413 HydrophobicContact CD2-CG2 3.78Å; F409-V413 HydrophobicContact CE1-CB 3.86Å; F409-V413 HydrophobicContact CE1-CG1 3.86Å; F409-V413 HydrophobicContact CE1-CG2 4.47Å; F409-V413 HydrophobicContact CE2-CB 3.97Å; F409-V413 HydrophobicContact CE2-CG1 4.06Å; F409-V413 HydrophobicContact CE2-CG2 3.67Å; F409-V413 HydrophobicContact CG-CB 4.24Å; F409-V413 HydrophobicContact CG-CG2 4.24Å; F409-V413 HydrophobicContact CZ-CB 3.81Å; F409-V413 HydrophobicContact CZ-CG1 3.57Å; F409-V413 HydrophobicContact CZ-CG2 4.05Å; F409-V413 WeakPolarHBondContact O-CA 3.42Å; F409-V413 WeakPolarHBondContact O-CB 3.2Å; F409-V413 PolarHBondContact O-N 2.76Å; F409-L414 HydrophobicContact CD1-CG 4.17Å; F409-L414 HydrophobicContact CE1-CD2 4.07Å; F409-L414 HydrophobicContact CE1-CG 4.24Å; F409-L414 PolarHBondContact O-N 2.91Å; F409-L414 VanDerWaalsContact O-N 3.16Å; F409-F493 HydrophobicContact CB-CE1 4.11Å; F409-F493 AromaticContact CD1-CD1 3.52Å; F409-F493 HydrophobicContact CD1-CD1 3.52Å; F409-F493 AromaticContact CD1-CE1 3.77Å; F409-F493 HydrophobicContact CD1-CE1 3.77Å; F409-F493 HydrophobicContact CE1-CD1 4.14Å; F409-F493 HydrophobicContact CG-CD1 4.34Å; F409-F493 HydrophobicContact CG-CE1 4.37Å; F409-N496 HydrophobicContact CE1-CB 3.93Å; F409-N496 HydrophobicContact CZ-CB 3.98Å; F409-F498 HydrophobicContact CB-CD2 4.09Å; F409-F498 HydrophobicContact CB-CE2 4.28Å; F409-F498 HydrophobicContact CD1-CB 3.95Å; F409-F498 HydrophobicContact CD1-CD2 4.26Å; F409-F498 HydrophobicContact CD1-CG 4.26Å; F409-F498 HydrophobicContact CD2-CB 4.31Å; F409-F498 AromaticContact CD2-CD2 3.65Å; F409-F498 HydrophobicContact CD2-CD2 3.65Å; F409-F498 HydrophobicContact CD2-CE2 4.43Å; F409-F498 HydrophobicContact CD2-CG 4.36Å; F409-F498 HydrophobicContact CE1-CB 3.69Å; F409-F498 HydrophobicContact CE1-CG 4.47Å; F409-F498 HydrophobicContact CE2-CB 4.07Å; F409-F498 HydrophobicContact CE2-CD2 4.1Å; F409-F498 HydrophobicContact CG-CB 4.24Å; F409-F498 AromaticContact CG-CD2 3.73Å; F409-F498 HydrophobicContact CG-CD2 3.73Å; F409-F498 HydrophobicContact CG-CE2 4.4Å; F409-F498 HydrophobicContact CG-CG 4.19Å; F409-F498 HydrophobicContact CZ-CB 3.75Å; F409-L515 HydrophobicContact CD2-CD1 4.32Å; F409-L515 HydrophobicContact CE2-CD1 3.61Å; F409-L515 HydrophobicContact CZ-CD1 4.3Å
410A98.6Very high97.8Very high0 Ų022.5 Ų22.50%014%0.137CC..Hα-helixtrans-61-46.2173.800000112.1V406 I407 E408 L414 S415 L416 A419 V432 F493V406-A410 WeakPolarHBondContact O-CB 3.44Å; V406-A410 PolarHBondContact O-N 3.42Å; I407-A410 PolarHBondContact O-N 2.71Å; E408-A410 VanDerWaalsContact C-N 3.31Å; E408-A410 PolarHBondContact O-N 2.91Å; A410-L414 CarbonylContact O-C 3.6Å; A410-L414 WeakPolarHBondContact O-CB 3.34Å; A410-L414 PolarHBondContact O-N 3.42Å; A410-S415 PolarHBondContact O-N 3.45Å; A410-L416 HydrophobicContact CB-CB 4.49Å; A410-L416 HydrophobicContact CB-CD1 4.5Å; A410-L416 PolarHBondContact O-N 3.37Å; A410-A419 HydrophobicContact CB-CB 3.64Å; A410-V432 HydrophobicContact CB-CG1 3.95Å; A410-V432 HydrophobicContact CB-CG2 4.43Å; A410-F493 HydrophobicContact CB-CE1 4.3Å; A410-F493 HydrophobicContact CB-CZ 3.88Å
411R98.2Very high97.8Very high55 Ų5522.4 Ų22.421%0.20814%0.136CC..Hα-helixtrans-67.8-49.7179.9-68.1-179.9-177-179.95111.8E379 I407 E408 L416 A419 N420E379-R411 IonicContact OE1-CZ 3.28Å; E379-R411 IonicContact OE1-NH1 3.89Å; E379-R411 PolarHBondContact OE1-NH1 3.38Å; E379-R411 VanDerWaalsContact OE1-NH1 3.17Å; E379-R411 IonicContact OE1-NH2 3.2Å; E379-R411 PolarHBondContact OE1-NH2 2.95Å; E379-R411 IonicContact OE2-CZ 3.59Å; E379-R411 IonicContact OE2-NH1 3.5Å; E379-R411 PolarHBondContact OE2-NH1 3Å; E379-R411 IonicContact OE2-NH2 3.16Å; I407-R411 HydrophobicContact CG2-CG 4.49Å; I407-R411 WeakPolarHBondContact O-CG 3.33Å; I407-R411 PolarHBondContact O-N 3.15Å; E408-R411 PolarHBondContact O-N 3.43Å; R411-L416 WeakPolarHBondContact CA-O 3.3Å; R411-A419 HydrophobicContact CG-CB 4.24Å; R411-A419 PolarHBondContact NE-O 3.39Å; R411-A419 PolarHBondContact NH2-O 2.87Å; R411-N420 PolarHBondContact NH2-ND2 2.89Å
412S97.3Very high97.7Very high47 Ų4723.9 Ų23.933%0.32915%0.145SC..Hα-helixtrans-81.6-40.7-170.6-58.10000113.7E408E408-S412 WeakPolarHBondContact O-CB 3.23Å; E408-S412 PolarHBondContact O-N 3.35Å; E408-S412 PolarHBondContact O-OG 3.47Å; E408-S412 WeakPolarHBondContact OE1-CB 3.41Å; E408-S412 PolarHBondContact OE1-OG 2.93Å
413V97.9Very high97.6Very high52 Ų5226 Ų2632%0.31516%0.155SC..THydrogen-bonded Turntrans-105.6-41-170.6-176.20000112F409 S415 N496F409-V413 HydrophobicContact CD1-CB 4.08Å; F409-V413 HydrophobicContact CD2-CB 4.18Å; F409-V413 HydrophobicContact CD2-CG2 3.78Å; F409-V413 HydrophobicContact CE1-CB 3.86Å; F409-V413 HydrophobicContact CE1-CG1 3.86Å; F409-V413 HydrophobicContact CE1-CG2 4.47Å; F409-V413 HydrophobicContact CE2-CB 3.97Å; F409-V413 HydrophobicContact CE2-CG1 4.06Å; F409-V413 HydrophobicContact CE2-CG2 3.67Å; F409-V413 HydrophobicContact CG-CB 4.24Å; F409-V413 HydrophobicContact CG-CG2 4.24Å; F409-V413 HydrophobicContact CZ-CB 3.81Å; F409-V413 HydrophobicContact CZ-CG1 3.57Å; F409-V413 HydrophobicContact CZ-CG2 4.05Å; F409-V413 WeakPolarHBondContact O-CA 3.42Å; F409-V413 WeakPolarHBondContact O-CB 3.2Å; F409-V413 PolarHBondContact O-N 2.76Å; V413-S415 VanDerWaalsContact C-N 3.26Å; V413-N496 HydrophobicContact CG1-CB 4.34Å
414L97.9Very high97.3Very high27 Ų2727.8 Ų27.814%0.14116%0.163CC..SBendtrans-84.5-3176.9-51.3-176.7000113F409 A410 L416 R492 F493 N496F409-L414 HydrophobicContact CD1-CG 4.17Å; F409-L414 HydrophobicContact CE1-CD2 4.07Å; F409-L414 HydrophobicContact CE1-CG 4.24Å; F409-L414 PolarHBondContact O-N 2.91Å; F409-L414 VanDerWaalsContact O-N 3.16Å; A410-L414 CarbonylContact O-C 3.6Å; A410-L414 WeakPolarHBondContact O-CB 3.34Å; A410-L414 PolarHBondContact O-N 3.42Å; L414-L416 HydrophobicContact CB-CD1 4.24Å; L414-L416 HydrophobicContact CB-CG 4.06Å; L414-L416 PolarHBondContact O-N 2.64Å; L414-R492 HydrophobicContact CD1-CB 4.09Å; L414-R492 WeakPolarHBondContact CD2-O 3.44Å; L414-F493 HydrophobicContact CD1-CD1 4Å; L414-F493 HydrophobicContact CD1-CD2 4.12Å; L414-F493 HydrophobicContact CD1-CE1 3.98Å; L414-F493 HydrophobicContact CD1-CE2 4.1Å; L414-F493 HydrophobicContact CD1-CG 4.06Å; L414-F493 HydrophobicContact CD1-CZ 4.02Å; L414-N496 HydrophobicContact CD2-CB 3.89Å; L414-N496 WeakPolarHBondContact CD2-ND2 3.42Å
415S96.9Very high97.2Very high98 Ų9830.5 Ų30.569%0.68518%0.177SC*.  trans56.430.9-178.9-52.60000113.9A410 V413 S417A410-S415 PolarHBondContact O-N 3.45Å; V413-S415 VanDerWaalsContact C-N 3.26Å; S415-S417 PolarHBondContact O-N 3.24Å
416L97.2Very high97Very high17 Ų1738.6 Ų38.69%0.08921%0.213CC..  trans-93.376.5173.8-57.3180000108.4A410 R411 L414 D418 A419 H430 Y489A410-L416 HydrophobicContact CB-CB 4.49Å; A410-L416 HydrophobicContact CB-CD1 4.5Å; A410-L416 PolarHBondContact O-N 3.37Å; R411-L416 WeakPolarHBondContact CA-O 3.3Å; L414-L416 HydrophobicContact CB-CD1 4.24Å; L414-L416 HydrophobicContact CB-CG 4.06Å; L414-L416 PolarHBondContact O-N 2.64Å; L416-D418 VanDerWaalsContact C-N 3.26Å; L416-D418 PolarHBondContact O-N 3.05Å; L416-A419 HydrophobicContact CB-CB 3.87Å; L416-A419 WeakPolarHBondContact O-CB 3.5Å; L416-A419 PolarHBondContact O-N 3.28Å; L416-H430 HydrophobicContact CB-CB 4.41Å; L416-Y489 HydrophobicContact CD1-CD1 3.95Å; L416-Y489 HydrophobicContact CD1-CE1 3.81Å
417S95.1Very high96.8Very high101 Ų10145.6 Ų45.671%0.70625%0.25SS*.THydrogen-bonded Turntrans-60.2-30.3-167.7540000114.7S415S415-S417 PolarHBondContact O-N 3.24Å
418D96.2Very high96.7Very high50 Ų5046.2 Ų46.227%0.26725%0.254SS..THydrogen-bonded Turntrans-92.64.8177.678.5-27.7000113.7L416 N420 T428 K429 H430L416-D418 VanDerWaalsContact C-N 3.26Å; L416-D418 PolarHBondContact O-N 3.05Å; D418-N420 PolarHBondContact O-N 3.48Å; D418-T428 PolarHBondContact O-OG1 2.98Å; D418-K429 WeakPolarHBondContact OD2-CB 3.25Å; D418-K429 WeakPolarHBondContact OD2-CG 3.37Å; D418-K429 PolarHBondContact OD2-N 2.99Å; D418-H430 IonicContact OD1-CD2 3.39Å; D418-H430 PolarHBondContact OD1-CD2 3.08Å; D418-H430 IonicContact OD1-CG 3.21Å; D418-H430 IonicContact OD1-NE2 3.94Å
419A98Very high96.7Very high0 Ų054.2 Ų54.20%029%0.288CS..  trans-57.2131.4-179.500000111.4I407 A410 R411 L416 H430 V432I407-A419 WeakPolarHBondContact CG2-O 3.48Å; A410-A419 HydrophobicContact CB-CB 3.64Å; R411-A419 HydrophobicContact CG-CB 4.24Å; R411-A419 PolarHBondContact NE-O 3.39Å; R411-A419 PolarHBondContact NH2-O 2.87Å; L416-A419 HydrophobicContact CB-CB 3.87Å; L416-A419 WeakPolarHBondContact O-CB 3.5Å; L416-A419 PolarHBondContact O-N 3.28Å; A419-H430 VanDerWaalsContact CA-O 3.31Å; A419-H430 WeakPolarHBondContact CA-O 3.28Å; A419-H430 HydrophobicContact CB-CB 3.96Å; A419-V432 HydrophobicContact CB-CG1 3.95Å; A419-V432 HydrophobicContact CB-CG2 4.1Å
420N97.6Very high96.6Very high13 Ų1356.4 Ų56.47%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-156172.9-179.1-143.2-34.3000111.9R411 D418 N425 T428 H430 V432R411-N420 PolarHBondContact NH2-ND2 2.89Å; D418-N420 PolarHBondContact O-N 3.48Å; N420-N425 HydrophobicContact CB-CB 4.05Å; N420-T428 HydrophobicContact CB-CG2 4.3Å; N420-H430 PolarHBondContact N-O 3.22Å; N420-V432 PolarHBondContact O-N 3.43Å
421S97.2Very high96.6Very high0 Ų058 Ų580%031%0.309CS..EExtended strand (participates in β ladder)trans-79.4142.1164.3178.30000110.4E423 F424 N425 V433S421-E423 PolarHBondContact O-N 2.88Å; S421-E423 WeakPolarHBondContact OG-CB 3.3Å; S421-E423 PolarHBondContact OG-N 3.32Å; S421-F424 PolarHBondContact O-N 3.33Å; S421-F424 VanDerWaalsContact O-N 3.15Å; S421-N425 PolarHBondContact O-N 3.01Å; S421-V433 WeakPolarHBondContact CA-O 3.32Å
422T96.2Very high96.6Very high31 Ų3155.3 Ų55.319%0.1930%0.299CS..THydrogen-bonded Turntrans-66-11.4169.562.20000113K426 P431 V433 M434 D435T422-K426 VanDerWaalsContact O-CG 3.27Å; T422-K426 WeakPolarHBondContact O-CG 3.18Å; T422-P431 HydrophobicContact CG2-CB 3.66Å; T422-V433 PolarHBondContact N-O 3.32Å; T422-M434 HydrophobicContact CG2-CB 4.3Å; T422-M434 WeakPolarHBondContact OG1-CA 3.48Å; T422-D435 PolarHBondContact OG1-N 3.39Å
423E94.8Very high96.6Very high45 Ų4553.1 Ų53.121%0.2128%0.283CS..THydrogen-bonded Turntrans-63.8-45.4169.2-170.5176173.900111.3G374 S421 Y483G374-E423 PolarHBondContact N-OE1 3.08Å; S421-E423 PolarHBondContact O-N 2.88Å; S421-E423 WeakPolarHBondContact OG-CB 3.3Å; S421-E423 PolarHBondContact OG-N 3.32Å; E423-Y483 HydrophobicContact CB-CD1 4.08Å; E423-Y483 HydrophobicContact CB-CD2 4.12Å; E423-Y483 HydrophobicContact CB-CE1 3.63Å; E423-Y483 HydrophobicContact CB-CE2 3.67Å; E423-Y483 HydrophobicContact CB-CG 4.33Å; E423-Y483 VanDerWaalsContact CB-CZ 3.4Å; E423-Y483 VanDerWaalsContact CD-CE2 3.46Å; E423-Y483 HydrophobicContact CG-CD2 4.26Å; E423-Y483 HydrophobicContact CG-CE1 4.34Å; E423-Y483 HydrophobicContact CG-CE2 3.54Å; E423-Y483 VanDerWaalsContact OE2-CD2 3.32Å; E423-Y483 WeakPolarHBondContact OE2-CD2 3.38Å; E423-Y483 WeakPolarHBondContact OE2-CE2 3.43Å
424F94Very high96.6Very high41 Ų4153.6 Ų53.618%0.1828%0.283CS..THydrogen-bonded Turntrans-100.6-33-169.9-43.9-50.9000112.8G374 D375 I378 L400 S421G374-F424 WeakPolarHBondContact O-CE1 3.28Å; D375-F424 HydrophobicContact CB-CD1 4.26Å; I378-F424 HydrophobicContact CD1-CD1 4.5Å; I378-F424 HydrophobicContact CD1-CE1 3.82Å; I378-F424 HydrophobicContact CD1-CE2 3.85Å; I378-F424 HydrophobicContact CD1-CZ 3.48Å; I378-F424 VanDerWaalsContact CD1-CZ 3.48Å; I378-F424 HydrophobicContact CG1-CD1 4.01Å; I378-F424 HydrophobicContact CG1-CD2 4.22Å; I378-F424 HydrophobicContact CG1-CE1 3.81Å; I378-F424 HydrophobicContact CG1-CE2 4.04Å; I378-F424 HydrophobicContact CG1-CG 4.23Å; I378-F424 HydrophobicContact CG1-CZ 3.85Å; I378-F424 HydrophobicContact CG2-CD2 3.78Å; I378-F424 HydrophobicContact CG2-CE2 3.92Å; I378-F424 HydrophobicContact CG2-CG 4.35Å; L400-F424 HydrophobicContact CD1-CE2 4.1Å; L400-F424 HydrophobicContact CD1-CZ 3.66Å; S421-F424 PolarHBondContact O-N 3.33Å; S421-F424 VanDerWaalsContact O-N 3.15Å
425N95Very high96.4Very high58 Ų5855.1 Ų55.131%0.3129%0.291SS..  trans-139.1100.2175.8-177.72000109.9N420 S421 D427 T428N420-N425 HydrophobicContact CB-CB 4.05Å; S421-N425 PolarHBondContact O-N 3.01Å; N425-D427 PolarHBondContact O-N 3.12Å; N425-D427 PolarHBondContact OD1-N 2.72Å; N425-T428 VanDerWaalsContact O-CG2 3.28Å; N425-T428 WeakPolarHBondContact O-CG2 3.39Å; N425-T428 PolarHBondContact OD1-N 3.47Å
426K94.1Very high96.3Very high170 Ų17052.8 Ų52.874%0.73927%0.27SS*.THydrogen-bonded Turntrans-69.3-21.5179-68.3-179.1-178.9-179.40113.4T422T422-K426 VanDerWaalsContact O-CG 3.27Å; T422-K426 WeakPolarHBondContact O-CG 3.18Å
427D95.5Very high96.1Very high147 Ų14753.2 Ų53.279%0.78627%0.274SS*.THydrogen-bonded Turntrans-98.26.9-174.4-58-44000113N425 K429N425-D427 PolarHBondContact O-N 3.12Å; N425-D427 PolarHBondContact OD1-N 2.72Å; D427-K429 PolarHBondContact O-N 3.41Å
428T96.7Very high95.9Very high13 Ų1348.8 Ų48.88%0.0824%0.242CC..  trans-58.2136.1175.11780000111D418 N420 N425 H430 P431D418-T428 PolarHBondContact O-OG1 2.98Å; N420-T428 HydrophobicContact CB-CG2 4.3Å; N425-T428 VanDerWaalsContact O-CG2 3.28Å; N425-T428 WeakPolarHBondContact O-CG2 3.39Å; N425-T428 PolarHBondContact OD1-N 3.47Å; T428-H430 PolarHBondContact O-N 3.03Å; T428-H430 PolarHBondContact OG1-N 3.46Å; T428-H430 PolarHBondContact OG1-O 3.43Å; T428-P431 HydrophobicContact CG2-CB 3.9Å
429K97.1Very high95.7Very high168 Ų16853 Ų5373%0.7326%0.26SS*.SBendtrans-76.8-12.4172.7-54.9174.6-178.8174.30111.5D418 D427 P431D418-K429 WeakPolarHBondContact OD2-CB 3.25Å; D418-K429 WeakPolarHBondContact OD2-CG 3.37Å; D418-K429 PolarHBondContact OD2-N 2.99Å; D427-K429 PolarHBondContact O-N 3.41Å; K429-P431 VanDerWaalsContact C-CD 3.46Å; K429-P431 WeakPolarHBondContact O-CD 3.43Å
430H98Very high95.2Very high51 Ų5155.5 Ų55.524%0.23627%0.273CS..  trans-126.971.9-178.5-63.3-29000111L416 D418 A419 N420 T428 V432 Y489L416-H430 HydrophobicContact CB-CB 4.41Å; D418-H430 IonicContact OD1-CD2 3.39Å; D418-H430 PolarHBondContact OD1-CD2 3.08Å; D418-H430 IonicContact OD1-CG 3.21Å; D418-H430 IonicContact OD1-NE2 3.94Å; A419-H430 VanDerWaalsContact CA-O 3.31Å; A419-H430 WeakPolarHBondContact CA-O 3.28Å; A419-H430 HydrophobicContact CB-CB 3.96Å; N420-H430 PolarHBondContact N-O 3.22Å; T428-H430 PolarHBondContact O-N 3.03Å; T428-H430 PolarHBondContact OG1-N 3.46Å; T428-H430 PolarHBondContact OG1-O 3.43Å; H430-V432 PolarHBondContact O-N 2.91Å; H430-Y489 WeakPolarHBondContact CA-OH 3.49Å
431P97.8Very high94.7Very high33 Ų3361.4 Ų61.421%0.21431%0.312CS..EExtended strand (participates in β ladder)trans-73.777.6178.831.8-35.9000110.3T422 T428 K429 V433 N486T422-P431 HydrophobicContact CG2-CB 3.66Å; T428-P431 HydrophobicContact CG2-CB 3.9Å; K429-P431 VanDerWaalsContact C-CD 3.46Å; K429-P431 WeakPolarHBondContact O-CD 3.43Å; P431-V433 PolarHBondContact O-N 3.39Å; P431-N486 WeakPolarHBondContact O-CB 3.3Å; P431-N486 PolarHBondContact O-ND2 3.1Å
432V98.3Very high94.3Very high0 Ų065.3 Ų65.30%035%0.352CS..EExtended strand (participates in β ladder)trans-71.8-20.6-178.8-66.90000112.4V406 I407 A410 A419 N420 H430 N486 Y489 F493V406-V432 HydrophobicContact CG1-CB 4.3Å; V406-V432 HydrophobicContact CG1-CG2 4.31Å; I407-V432 HydrophobicContact CG1-CG2 3.96Å; A410-V432 HydrophobicContact CB-CG1 3.95Å; A410-V432 HydrophobicContact CB-CG2 4.43Å; A419-V432 HydrophobicContact CB-CG1 3.95Å; A419-V432 HydrophobicContact CB-CG2 4.1Å; N420-V432 PolarHBondContact O-N 3.43Å; H430-V432 PolarHBondContact O-N 2.91Å; V432-N486 PolarHBondContact O-N 2.89Å; V432-Y489 HydrophobicContact CG1-CD1 3.93Å; V432-Y489 HydrophobicContact CG1-CD2 4.32Å; V432-Y489 HydrophobicContact CG1-CE1 4.15Å; V432-Y489 HydrophobicContact CG1-CG 4.03Å; V432-F493 HydrophobicContact CG1-CZ 4.46Å
433V98Very high93.9Very high0 Ų068.3 Ų68.30%037%0.367CS..EExtended strand (participates in β ladder)trans-126.8132.7169.9175.50000107.7Q403 V406 I407 S421 T422 P431 E484Q403-V433 HydrophobicContact CB-CG1 4.42Å; Q403-V433 HydrophobicContact CB-CG2 4.16Å; Q403-V433 HydrophobicContact CG-CG1 4.14Å; Q403-V433 HydrophobicContact CG-CG2 4.4Å; V406-V433 HydrophobicContact CG1-CG2 4.14Å; I407-V433 HydrophobicContact CG1-CG2 4.44Å; S421-V433 WeakPolarHBondContact CA-O 3.32Å; T422-V433 PolarHBondContact N-O 3.32Å; P431-V433 PolarHBondContact O-N 3.39Å; V433-E484 CarbonylContact C-O 3.54Å; V433-E484 VanDerWaalsContact CA-O 3.32Å; V433-E484 WeakPolarHBondContact CA-O 3.49Å
434M96.4Very high93.4Very high62 Ų6275.1 Ų75.131%0.30540%0.401SS..EExtended strand (participates in β ladder)trans-139.4153.9-173.164.8-178.5-69.300112.7T422 M436 Y483 E484 N486T422-M434 HydrophobicContact CG2-CB 4.3Å; T422-M434 WeakPolarHBondContact OG1-CA 3.48Å; M434-M436 PolarHBondContact O-N 3.23Å; M434-Y483 WeakPolarHBondContact O-CA 3.39Å; M434-E484 PolarHBondContact N-O 3.33Å; M434-E484 PolarHBondContact O-N 3.34Å; M434-N486 HydrophobicContact CG-CB 4.11Å; M434-N486 HydrophobicContact SD-CB 3.88Å; M434-N486 VanDerWaalsContact SD-CG 3.52Å
435D95.2Very high93.3Very high59 Ų5975.6 Ų75.632%0.31642%0.418SS..EExtended strand (participates in β ladder)trans-64.4124.3174.2-166.823.2000109.2T422 R482 Y483T422-D435 PolarHBondContact OG1-N 3.39Å; D435-R482 IonicContact OD1-NE 3.03Å; D435-R482 IonicContact OD2-NH2 2.57Å; D435-Y483 HydrophobicContact CB-CD1 3.97Å; D435-Y483 HydrophobicContact CB-CE1 3.69Å
436M94.4Very high93Very high50 Ų5074.2 Ų74.225%0.24642%0.417CS..  trans-140.867.2-179.9-168.6-176-66.300110.1M434 R482 E484 R509M434-M436 PolarHBondContact O-N 3.23Å; M436-R482 PolarHBondContact N-O 3Å; M436-R482 VanDerWaalsContact N-O 3.08Å; M436-E484 HydrophobicContact CB-CB 3.94Å; M436-E484 HydrophobicContact CB-CG 3.78Å; M436-E484 HydrophobicContact CE-CB 4.36Å; M436-E484 HydrophobicContact CG-CG 4.44Å; M436-E484 HydrophobicContact SD-CB 4.24Å; M436-E484 HydrophobicContact SD-CG 4.24Å; M436-R509 PolarHBondContact O-NH2 3.01Å; M436-R509 HydrophobicContact SD-CG 4.14Å
437P92.9Very high92.8Very high25 Ų2567.6 Ų67.616%0.16239%0.391CS..  trans-65.1157.2-17528.6-35.2000111.9H439 T447P437-H439 PolarHBondContact O-ND1 3.09Å; P437-T447 WeakPolarHBondContact CB-O 3.48Å
438E90.9Very high92.7Very high8 Ų862.6 Ų62.64%0.03736%0.364CS..BIsolated β-bridgetrans-76.9147.9171-70.4-171.8168.400110.9N440 T447 R449 R453E438-N440 PolarHBondContact OE2-ND2 3.38Å; E438-N440 VanDerWaalsContact OE2-ND2 3.11Å; E438-T447 PolarHBondContact N-O 2.8Å; E438-T447 PolarHBondContact O-N 2.84Å; E438-T447 PolarHBondContact O-OG1 2.95Å; E438-R449 HydrophobicContact CG-CB 4.21Å; E438-R449 WeakPolarHBondContact OE1-CG 3.48Å; E438-R449 IonicContact OE1-CZ 3.27Å; E438-R449 IonicContact OE1-NH1 3.75Å; E438-R449 PolarHBondContact OE1-NH1 3.37Å; E438-R453 IonicContact OE1-CZ 2.89Å; E438-R453 IonicContact OE1-NH1 2.75Å; E438-R453 PolarHBondContact OE1-NH1 3.3Å; E438-R453 IonicContact OE1-NH2 2.7Å; E438-R453 IonicContact OE2-CZ 3.66Å; E438-R453 IonicContact OE2-NH1 3.55Å; E438-R453 PolarHBondContact OE2-NH1 2.85Å; E438-R453 VanDerWaalsContact OE2-NH1 3.16Å; E438-R453 IonicContact OE2-NH2 3.72Å; E438-R453 PolarHBondContact OE2-NH2 3.03Å
439H91.6Very high92.6Very high140 Ų14062.6 Ų62.665%0.64836%0.362SS*.  trans-123.588.3174-65.782.5000106.7P437P437-H439 PolarHBondContact O-ND1 3.09Å
440N87.5Confident92.5Very high51 Ų5156 Ų5627%0.27334%0.336SS..  trans-91.9137.2-174.7-65.7-46.4000110.1E438 G442 D443 T447E438-N440 PolarHBondContact OE2-ND2 3.38Å; E438-N440 VanDerWaalsContact OE2-ND2 3.11Å; N440-G442 PolarHBondContact O-N 3.29Å; N440-D443 PolarHBondContact O-N 2.92Å; N440-D443 VanDerWaalsContact O-N 3.08Å; N440-T447 PolarHBondContact ND2-OG1 2.9Å
441P87.8Confident92.5Very high137 Ų13753.6 Ų53.689%0.8933%0.325SS*.THydrogen-bonded Turntrans-56.4122.2175.8-2534.2000111.7
442G88.9Confident92.5Very high82 Ų8254 Ų5485%0.84533%0.325SS*.THydrogen-bonded Turntrans104.5-22.5-178.800000114.1N440N440-G442 PolarHBondContact O-N 3.29Å
443D86.5Confident92.4Very high95 Ų9557.1 Ų57.151%0.50834%0.337SS..  trans-92.5142.4174.6-64.1-39.9000110.8N440 T447N440-D443 PolarHBondContact O-N 2.92Å; N440-D443 VanDerWaalsContact O-N 3.08Å; D443-T447 HydrophobicContact CB-CG2 3.61Å
444M85.7Confident92.4Very high187 Ų18761.6 Ų61.692%0.92136%0.357SS*.  trans-95.2132.8174.1-68.3-164.8-6200110.8
445G91.5Very high92.5Very high51 Ų5158.7 Ų58.753%0.52634%0.342SS..SBendtrans80.9-167.9177.800000113.5
446G88.4Confident92.6Very high29 Ų2958.5 Ų58.530%0.29934%0.341SS..  trans-86.5110.4178.800000111.4
447T90.3Very high92.6Very high32 Ų3256.5 Ų56.520%0.19633%0.331CS..BIsolated β-bridgetrans-86.1154.2178.460.70000111.7P437 E438 N440 D443P437-T447 WeakPolarHBondContact CB-O 3.48Å; E438-T447 PolarHBondContact N-O 2.8Å; E438-T447 PolarHBondContact O-N 2.84Å; E438-T447 PolarHBondContact O-OG1 2.95Å; N440-T447 PolarHBondContact ND2-OG1 2.9Å; D443-T447 HydrophobicContact CB-CG2 3.61Å
448M92.9Very high92.6Very high41 Ų4158.9 Ų58.920%0.20234%0.339CS..  trans-62.9142.6169.9-174.4168.86200110.3E66 V450 R480 H481 R482E66-M448 WeakPolarHBondContact OE2-CE 3.37Å; M448-V450 HydrophobicContact CE-CB 3.94Å; M448-V450 HydrophobicContact CE-CG2 3.94Å; M448-V450 HydrophobicContact CG-CB 4.46Å; M448-V450 PolarHBondContact O-N 3.22Å; M448-R480 HydrophobicContact CE-CG 3.95Å; M448-R480 HydrophobicContact SD-CG 4.02Å; M448-H481 WeakPolarHBondContact CG-O 3.36Å; M448-R482 HydrophobicContact CB-CG 4.21Å; M448-R482 HydrophobicContact CG-CG 4.02Å
449R95.3Very high91.4Very high14 Ų1464.7 Ų64.75%0.05338%0.376CS..EExtended strand (participates in β ladder)trans-76.6101.6167-179.8167.7179.688-12.9107.8E438 H479 R480 H481 E511E438-R449 HydrophobicContact CG-CB 4.21Å; E438-R449 WeakPolarHBondContact OE1-CG 3.48Å; E438-R449 IonicContact OE1-CZ 3.27Å; E438-R449 IonicContact OE1-NH1 3.75Å; E438-R449 PolarHBondContact OE1-NH1 3.37Å; R449-H479 HydrophobicContact CG-CB 4.03Å; R449-H479 CarbonylContact O-C 3.58Å; R449-R480 WeakPolarHBondContact O-CA 3.43Å; R449-R480 PolarHBondContact O-N 2.92Å; R449-H481 WeakPolarHBondContact CB-O 3.33Å; R449-H481 PolarHBondContact N-O 3.2Å; R449-H481 PolarHBondContact O-N 2.99Å; R449-H481 VanDerWaalsContact O-N 3.08Å; R449-E511 IonicContact CZ-OE1 2.82Å; R449-E511 IonicContact NE-OE1 3.76Å; R449-E511 PolarHBondContact NE-OE1 2.96Å; R449-E511 IonicContact NH2-OE1 3.38Å; R449-E511 PolarHBondContact NH2-OE1 3.08Å
450V95.4Very high89.9Confident28 Ų2863.1 Ų63.117%0.1738%0.38CS..EExtended strand (participates in β ladder)trans-131.8152.3-175.870.40000111.4V60 E66 M448 R453 H479 R480V60-V450 HydrophobicContact CG1-CG2 3.96Å; E66-V450 HydrophobicContact CG-CG2 4.39Å; M448-V450 HydrophobicContact CE-CB 3.94Å; M448-V450 HydrophobicContact CE-CG2 3.94Å; M448-V450 HydrophobicContact CG-CB 4.46Å; M448-V450 PolarHBondContact O-N 3.22Å; V450-R453 PolarHBondContact O-NE 3.32Å; V450-R453 PolarHBondContact O-NH2 3.01Å; V450-R453 VanDerWaalsContact O-NH2 3.11Å; V450-H479 VanDerWaalsContact CA-O 3.28Å; V450-H479 WeakPolarHBondContact CA-O 3.47Å; V450-R480 HydrophobicContact CG2-CG 4.46Å
451G96.7Very high88.8Confident2 Ų264.1 Ų64.12%0.02139%0.39CS..EExtended strand (participates in β ladder)trans88.2-168.3177.200000114.1L61 R453 R478 H479L61-G451 WeakPolarHBondContact O-CA 3.35Å; G451-R453 PolarHBondContact O-N 2.95Å; G451-R478 WeakPolarHBondContact O-CA 3.26Å; G451-H479 PolarHBondContact N-O 3.24Å; G451-H479 VanDerWaalsContact N-O 3.11Å; G451-H479 PolarHBondContact O-N 2.87Å
452L97.4Very high88.2Confident40 Ų4061.5 Ų61.521%0.20938%0.375CS..EExtended strand (participates in β ladder)trans-72124.8-178-165.775.2000110.6D62 E476 E477 R478 L531D62-L452 HydrophobicContact CB-CB 4.07Å; D62-L452 WeakPolarHBondContact O-CB 3.07Å; D62-L452 PolarHBondContact O-N 3.01Å; L452-E476 HydrophobicContact CD1-CB 3.88Å; L452-E476 HydrophobicContact CD2-CB 4.02Å; L452-E476 HydrophobicContact CG-CB 3.91Å; L452-E477 WeakPolarHBondContact CA-O 3.36Å; L452-R478 HydrophobicContact CD1-CG 4.27Å; L452-L531 HydrophobicContact CD1-CD1 4.33Å
453R97.3Very high88.4Confident67 Ų6757.6 Ų57.625%0.25334%0.335SS..EExtended strand (participates in β ladder)trans-131.9148.7175.3-53.2-67.1170.6142.411.1110.9E438 V450 G451 E476 E477E438-R453 IonicContact OE1-CZ 2.89Å; E438-R453 IonicContact OE1-NH1 2.75Å; E438-R453 PolarHBondContact OE1-NH1 3.3Å; E438-R453 IonicContact OE1-NH2 2.7Å; E438-R453 IonicContact OE2-CZ 3.66Å; E438-R453 IonicContact OE2-NH1 3.55Å; E438-R453 PolarHBondContact OE2-NH1 2.85Å; E438-R453 VanDerWaalsContact OE2-NH1 3.16Å; E438-R453 IonicContact OE2-NH2 3.72Å; E438-R453 PolarHBondContact OE2-NH2 3.03Å; V450-R453 PolarHBondContact O-NE 3.32Å; V450-R453 PolarHBondContact O-NH2 3.01Å; V450-R453 VanDerWaalsContact O-NH2 3.11Å; G451-R453 PolarHBondContact O-N 2.95Å; R453-E476 WeakPolarHBondContact O-CA 3.35Å; R453-E477 PolarHBondContact N-O 3.38Å; R453-E477 PolarHBondContact O-N 3.35Å; R453-E477 VanDerWaalsContact O-N 3.17Å
454K97.7Very high88.8Confident94 Ų9454.1 Ų54.141%0.40932%0.317SS..EExtended strand (participates in β ladder)trans-84.8127.9178.8-171.5174.3-174.81740110.7S474 I475 E476 V505K454-S474 WeakPolarHBondContact CE-OG 3.33Å; K454-I475 WeakPolarHBondContact CA-O 3.45Å; K454-E476 HydrophobicContact CB-CG 4.37Å; K454-E476 HydrophobicContact CG-CG 4.48Å; K454-V505 HydrophobicContact CB-CG2 3.92Å; K454-V505 HydrophobicContact CD-CG2 4.36Å; K454-V505 HydrophobicContact CG-CG2 4.34Å
455T97.7Very high89.2Confident0 Ų045.2 Ų45.20%027%0.273CS..EExtended strand (participates in β ladder)trans-109.9130170.5-65.30000109.3S474 I475 R503 E511 V512T455-S474 CarbonylContact O-C 3.53Å; T455-S474 WeakPolarHBondContact O-CA 3.39Å; T455-S474 VanDerWaalsContact O-CB 3.24Å; T455-S474 WeakPolarHBondContact O-CB 3.27Å; T455-I475 HydrophobicContact CG2-CG1 4.41Å; T455-I475 PolarHBondContact N-O 3.42Å; T455-I475 PolarHBondContact O-N 2.75Å; T455-R503 CarbonylContact C-O 3.51Å; T455-R503 WeakPolarHBondContact CA-O 3.39Å; T455-E511 HydrophobicContact CG2-CB 3.69Å; T455-E511 HydrophobicContact CG2-CG 4.21Å; T455-V512 HydrophobicContact CG2-CG2 4.26Å
456I97.4Very high89.4Confident56 Ų5644.1 Ų44.129%0.28725%0.254SS..EExtended strand (participates in β ladder)trans-102.6122.5178.5-53.9-178.5000108.9Q458 R503I456-Q458 PolarHBondContact O-NE2 3.2Å; I456-R503 PolarHBondContact N-O 3.36Å; I456-R503 PolarHBondContact O-N 3.4Å
457F95.8Very high89.6Confident8 Ų846.5 Ų46.54%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-73132.1173.4-74.4-67000110.5V465 Q466 Y469 V472 S473 I475 V501 V512F457-V465 HydrophobicContact CE1-CB 4.33Å; F457-V465 HydrophobicContact CE1-CG1 4.14Å; F457-V465 HydrophobicContact CZ-CG1 3.97Å; F457-Q466 HydrophobicContact CB-CG 4.22Å; F457-Q466 HydrophobicContact CD1-CB 3.92Å; F457-Q466 HydrophobicContact CD1-CG 4.35Å; F457-Q466 HydrophobicContact CD2-CB 4.04Å; F457-Q466 HydrophobicContact CD2-CG 3.71Å; F457-Q466 HydrophobicContact CE1-CB 4.03Å; F457-Q466 HydrophobicContact CE2-CB 4.11Å; F457-Q466 HydrophobicContact CE2-CG 4.1Å; F457-Q466 HydrophobicContact CG-CB 3.94Å; F457-Q466 HydrophobicContact CG-CG 3.85Å; F457-Q466 HydrophobicContact CZ-CB 4.12Å; F457-Y469 HydrophobicContact CE2-CD2 4.48Å; F457-Y469 HydrophobicContact CZ-CD2 4.12Å; F457-V472 WeakPolarHBondContact CD2-O 3.4Å; F457-S473 PolarHBondContact N-O 3.44Å; F457-I475 HydrophobicContact CE2-CD1 4.23Å; F457-I475 HydrophobicContact CE2-CG1 4.19Å; F457-I475 HydrophobicContact CE2-CG2 3.71Å; F457-I475 HydrophobicContact CZ-CD1 3.95Å; F457-I475 HydrophobicContact CZ-CG1 4.37Å; F457-I475 HydrophobicContact CZ-CG2 4.39Å; F457-V501 CarbonylContact C-O 3.3Å; F457-V501 WeakPolarHBondContact CA-O 3.37Å; F457-V512 HydrophobicContact CE1-CG2 4.43Å
458Q91.3Very high89.8Confident74 Ų7445 Ų4535%0.34625%0.247SC..PPolyproline II helixtrans-82.3124.3173.9-53.4-58.2-58.600108.3I456 S460 V501 R503I456-Q458 PolarHBondContact O-NE2 3.2Å; Q458-S460 PolarHBondContact O-N 3.38Å; Q458-V501 PolarHBondContact N-O 2.66Å; Q458-R503 HydrophobicContact CG-CG 3.88Å
459T65.8Low89.9Confident130 Ų13043.8 Ų43.880%0.79824%0.24SC*.SBendtrans-74.3114.2-177.112.50000110.8
460S61.2Low89.7Confident107 Ų10746.2 Ų46.275%0.74827%0.269SS*.SBendtrans85.4124.8175.3-161.50000115.8Q458Q458-S460 PolarHBondContact O-N 3.38Å
461P64.2Low89.5Confident73 Ų7347.1 Ų47.147%0.47429%0.285SS..SBendcis-73167.75.4-8.223.9000112.9S463P461-S463 PolarHBondContact O-N 3.01Å
462S76.1Confident89.3Confident81 Ų8149.4 Ų49.457%0.56630%0.298SS*.  trans-64.197.9-176.774.70000111.4V464 K467S462-V464 PolarHBondContact O-N 3.47Å; S462-K467 PolarHBondContact OG-NZ 2.95Å
463S92.2Very high89.1Confident1 Ų151.7 Ų51.71%0.00732%0.317CS..  trans-59.2132.9-179.4160.50000111.1P461 V465 Q466 K467 E514P461-S463 PolarHBondContact O-N 3.01Å; S463-V465 VanDerWaalsContact C-N 3.34Å; S463-V465 PolarHBondContact OG-N 3.41Å; S463-Q466 PolarHBondContact OG-N 3.3Å; S463-K467 WeakPolarHBondContact O-CG 3.18Å; S463-K467 PolarHBondContact O-N 2.88Å; S463-E514 WeakPolarHBondContact CA-OE1 3.48Å; S463-E514 WeakPolarHBondContact CA-OE2 3.33Å; S463-E514 WeakPolarHBondContact CB-OE1 3.37Å; S463-E514 PolarHBondContact OG-OE1 3.29Å
464V94.4Very high89Confident22 Ų2250.1 Ų50.113%0.13332%0.316CS..Hα-helixtrans-67-40.9172.963.50000110.6S462 K467 L468 E514 Y520 V522 L552 L556S462-V464 PolarHBondContact O-N 3.47Å; V464-K467 PolarHBondContact O-N 3.44Å; V464-L468 HydrophobicContact CG2-CD1 4.12Å; V464-L468 WeakPolarHBondContact O-CG 3.43Å; V464-L468 PolarHBondContact O-N 3.02Å; V464-E514 HydrophobicContact CG1-CG 4.35Å; V464-E514 WeakPolarHBondContact CG1-OE1 3.39Å; V464-E514 PolarHBondContact N-OE1 3.27Å; V464-E514 PolarHBondContact N-OE2 2.85Å; V464-E514 VanDerWaalsContact N-OE2 3.09Å; V464-Y520 HydrophobicContact CG1-CD2 4.25Å; V464-Y520 HydrophobicContact CG1-CE2 4.09Å; V464-Y520 HydrophobicContact CG2-CD2 4.25Å; V464-Y520 HydrophobicContact CG2-CE2 4.18Å; V464-V522 HydrophobicContact CG1-CG2 3.86Å; V464-L552 HydrophobicContact CG2-CD1 4.4Å; V464-L552 HydrophobicContact CG2-CD2 4.13Å; V464-L556 HydrophobicContact CG2-CD1 3.74Å; V464-L556 HydrophobicContact CG2-CD2 4.34Å
465V94.9Very high89Confident0 Ų046 Ų460%030%0.299CS..Hα-helixtrans-62.8-47.5179.1-1790000110.1F457 S463 K467 L468 Y469 V512 E514 V522F457-V465 HydrophobicContact CE1-CB 4.33Å; F457-V465 HydrophobicContact CE1-CG1 4.14Å; F457-V465 HydrophobicContact CZ-CG1 3.97Å; S463-V465 VanDerWaalsContact C-N 3.34Å; S463-V465 PolarHBondContact OG-N 3.41Å; V465-K467 VanDerWaalsContact C-N 3.28Å; V465-K467 PolarHBondContact O-N 2.9Å; V465-L468 WeakPolarHBondContact O-CA 3.31Å; V465-L468 WeakPolarHBondContact O-CB 3.4Å; V465-L468 PolarHBondContact O-N 2.95Å; V465-Y469 HydrophobicContact CG1-CD2 3.76Å; V465-Y469 HydrophobicContact CG1-CE2 3.61Å; V465-Y469 VanDerWaalsContact O-CD2 3.31Å; V465-Y469 WeakPolarHBondContact O-CD2 3.41Å; V465-Y469 PolarHBondContact O-N 2.87Å; V465-V512 HydrophobicContact CB-CG1 4.17Å; V465-V512 HydrophobicContact CG1-CG1 4.27Å; V465-V512 HydrophobicContact CG2-CG1 3.95Å; V465-E514 WeakPolarHBondContact CG2-OE1 3.41Å; V465-E514 PolarHBondContact N-OE1 3.24Å; V465-V522 HydrophobicContact CG2-CB 4.26Å; V465-V522 HydrophobicContact CG2-CG1 3.46Å; V465-V522 VanDerWaalsContact CG2-CG1 3.46Å; V465-V522 HydrophobicContact CG2-CG2 3.72Å
466Q94.8Very high89Confident27 Ų2751 Ų5113%0.12632%0.323CS..Hα-helixtrans-56.5-42.4177.6-172.2-178.929.600112.3F457 S463 Y469 G470 G471 V472F457-Q466 HydrophobicContact CB-CG 4.22Å; F457-Q466 HydrophobicContact CD1-CB 3.92Å; F457-Q466 HydrophobicContact CD1-CG 4.35Å; F457-Q466 HydrophobicContact CD2-CB 4.04Å; F457-Q466 HydrophobicContact CD2-CG 3.71Å; F457-Q466 HydrophobicContact CE1-CB 4.03Å; F457-Q466 HydrophobicContact CE2-CB 4.11Å; F457-Q466 HydrophobicContact CE2-CG 4.1Å; F457-Q466 HydrophobicContact CG-CB 3.94Å; F457-Q466 HydrophobicContact CG-CG 3.85Å; F457-Q466 HydrophobicContact CZ-CB 4.12Å; S463-Q466 PolarHBondContact OG-N 3.3Å; Q466-Y469 CarbonylContact O-C 3.38Å; Q466-Y469 PolarHBondContact O-N 3Å; Q466-G470 PolarHBondContact O-N 2.84Å; Q466-G471 WeakPolarHBondContact O-CA 3.5Å; Q466-G471 PolarHBondContact O-N 3.36Å; Q466-V472 WeakPolarHBondContact CG-O 3.35Å; Q466-V472 PolarHBondContact NE2-O 3.03Å
467K93.8Very high89Confident80 Ų8048.8 Ų48.835%0.34831%0.311SS..Hα-helixtrans-64.4-39.1176.1-70.2174.6-170.4173.40112.2S462 S463 V464 V465 Y469 G470 L556S462-K467 PolarHBondContact OG-NZ 2.95Å; S463-K467 WeakPolarHBondContact O-CG 3.18Å; S463-K467 PolarHBondContact O-N 2.88Å; V464-K467 PolarHBondContact O-N 3.44Å; V465-K467 VanDerWaalsContact C-N 3.28Å; V465-K467 PolarHBondContact O-N 2.9Å; K467-Y469 VanDerWaalsContact C-N 3.26Å; K467-Y469 PolarHBondContact O-N 3.28Å; K467-G470 PolarHBondContact O-N 3.36Å; K467-L556 HydrophobicContact CB-CD2 3.69Å; K467-L556 HydrophobicContact CD-CD2 4.25Å
468L94.3Very high89.1Confident1 Ų148.4 Ų48.41%0.00531%0.309CS..Hα-helixtrans-64.2-31.9175.6-68.5165.5000112.1V464 V465 G470 Y520 P539 L552 L556 L563V464-L468 HydrophobicContact CG2-CD1 4.12Å; V464-L468 WeakPolarHBondContact O-CG 3.43Å; V464-L468 PolarHBondContact O-N 3.02Å; V465-L468 WeakPolarHBondContact O-CA 3.31Å; V465-L468 WeakPolarHBondContact O-CB 3.4Å; V465-L468 PolarHBondContact O-N 2.95Å; L468-G470 PolarHBondContact O-N 3.23Å; L468-Y520 HydrophobicContact CD1-CE2 3.99Å; L468-P539 HydrophobicContact CB-CB 3.83Å; L468-L552 HydrophobicContact CD2-CD1 4.15Å; L468-L556 HydrophobicContact CD2-CD2 4.21Å; L468-L556 HydrophobicContact CG-CD2 4.3Å; L468-L563 HydrophobicContact CD2-CD2 3.9Å
469Y93.9Very high89.4Confident15 Ų1544.9 Ų44.96%0.05929%0.293CS..THydrogen-bonded Turntrans-808.5170-77.8-85.6000114F457 V465 Q466 K467 I475 E477 P539 P540F457-Y469 HydrophobicContact CE2-CD2 4.48Å; F457-Y469 HydrophobicContact CZ-CD2 4.12Å; V465-Y469 HydrophobicContact CG1-CD2 3.76Å; V465-Y469 HydrophobicContact CG1-CE2 3.61Å; V465-Y469 VanDerWaalsContact O-CD2 3.31Å; V465-Y469 WeakPolarHBondContact O-CD2 3.41Å; V465-Y469 PolarHBondContact O-N 2.87Å; Q466-Y469 CarbonylContact O-C 3.38Å; Q466-Y469 PolarHBondContact O-N 3Å; K467-Y469 VanDerWaalsContact C-N 3.26Å; K467-Y469 PolarHBondContact O-N 3.28Å; Y469-I475 HydrophobicContact CD1-CB 4.38Å; Y469-I475 HydrophobicContact CD1-CG2 3.46Å; Y469-I475 VanDerWaalsContact CD1-CG2 3.46Å; Y469-I475 HydrophobicContact CD2-CD1 4.25Å; Y469-I475 HydrophobicContact CD2-CG2 4.17Å; Y469-I475 HydrophobicContact CE1-CB 4.31Å; Y469-I475 HydrophobicContact CE1-CD1 4.17Å; Y469-I475 HydrophobicContact CE1-CG2 3.86Å; Y469-I475 HydrophobicContact CE2-CD1 3.76Å; Y469-I475 HydrophobicContact CG-CG2 3.65Å; Y469-E477 WeakPolarHBondContact CE1-OE1 3.31Å; Y469-E477 PolarHBondContact OH-OE1 2.98Å; Y469-P539 HydrophobicContact CD1-CB 4.39Å; Y469-P539 HydrophobicContact CD1-CG 3.65Å; Y469-P539 HydrophobicContact CD2-CB 4.08Å; Y469-P539 HydrophobicContact CD2-CG 4.21Å; Y469-P539 HydrophobicContact CE1-CB 4.37Å; Y469-P539 HydrophobicContact CE1-CG 3.53Å; Y469-P539 HydrophobicContact CE2-CB 4.02Å; Y469-P539 HydrophobicContact CE2-CG 4.06Å; Y469-P539 HydrophobicContact CG-CB 4.25Å; Y469-P539 HydrophobicContact CG-CG 3.99Å; Y469-P540 HydrophobicContact CE2-CG 4.12Å
470G91.4Very high90.9Very high64 Ų6440 Ų4066%0.6626%0.26SS*.THydrogen-bonded Turntrans83.718.3177.400000115.1Q466 K467 L468Q466-G470 PolarHBondContact O-N 2.84Å; K467-G470 PolarHBondContact O-N 3.36Å; L468-G470 PolarHBondContact O-N 3.23Å
471G90.5Very high92.4Very high48 Ų4835.1 Ų35.150%0.49523%0.225SC..SBendtrans80.416.2176.200000114.7Q466Q466-G471 WeakPolarHBondContact O-CA 3.5Å; Q466-G471 PolarHBondContact O-N 3.36Å
472V92.5Very high93.9Very high50 Ų5036.5 Ų36.530%0.30322%0.221SC..  trans-65.8153.5177.3-62.90000112F457 Q466 S474 I475F457-V472 WeakPolarHBondContact CD2-O 3.4Å; Q466-V472 WeakPolarHBondContact CG-O 3.35Å; Q466-V472 PolarHBondContact NE2-O 3.03Å; V472-S474 WeakPolarHBondContact CG2-O 3.44Å; V472-I475 HydrophobicContact CG2-CG2 3.74Å
473S93.8Very high94.8Very high87 Ų8734.9 Ų34.961%0.60820%0.202SC*.SBendtrans-79.7-21.4178.154.90000113.7F457F457-S473 PolarHBondContact N-O 3.44Å
474S95.8Very high95.1Very high34 Ų3434.9 Ų34.924%0.23820%0.202CC..EExtended strand (participates in β ladder)trans-151.6153.8178.761.50000111.8K454 T455 V472K454-S474 WeakPolarHBondContact CE-OG 3.33Å; T455-S474 CarbonylContact O-C 3.53Å; T455-S474 WeakPolarHBondContact O-CA 3.39Å; T455-S474 VanDerWaalsContact O-CB 3.24Å; T455-S474 WeakPolarHBondContact O-CB 3.27Å; V472-S474 WeakPolarHBondContact CG2-O 3.44Å
475I97.2Very high95.2Very high9 Ų933.9 Ų33.95%0.04620%0.196CC..EExtended strand (participates in β ladder)trans-127.6162.8175.158.8173.3000110K454 T455 F457 Y469 V472 E477 F526K454-I475 WeakPolarHBondContact CA-O 3.45Å; T455-I475 HydrophobicContact CG2-CG1 4.41Å; T455-I475 PolarHBondContact N-O 3.42Å; T455-I475 PolarHBondContact O-N 2.75Å; F457-I475 HydrophobicContact CE2-CD1 4.23Å; F457-I475 HydrophobicContact CE2-CG1 4.19Å; F457-I475 HydrophobicContact CE2-CG2 3.71Å; F457-I475 HydrophobicContact CZ-CD1 3.95Å; F457-I475 HydrophobicContact CZ-CG1 4.37Å; F457-I475 HydrophobicContact CZ-CG2 4.39Å; Y469-I475 HydrophobicContact CD1-CB 4.38Å; Y469-I475 HydrophobicContact CD1-CG2 3.46Å; Y469-I475 VanDerWaalsContact CD1-CG2 3.46Å; Y469-I475 HydrophobicContact CD2-CD1 4.25Å; Y469-I475 HydrophobicContact CD2-CG2 4.17Å; Y469-I475 HydrophobicContact CE1-CB 4.31Å; Y469-I475 HydrophobicContact CE1-CD1 4.17Å; Y469-I475 HydrophobicContact CE1-CG2 3.86Å; Y469-I475 HydrophobicContact CE2-CD1 3.76Å; Y469-I475 HydrophobicContact CG-CG2 3.65Å; V472-I475 HydrophobicContact CG2-CG2 3.74Å; I475-E477 HydrophobicContact CD1-CG 4.06Å; I475-F526 HydrophobicContact CD1-CE1 3.92Å; I475-F526 HydrophobicContact CD1-CZ 3.8Å
476E97.8Very high95.4Very high105 Ų10534.5 Ų34.549%0.49120%0.2SC..EExtended strand (participates in β ladder)trans-125.4121.6173.4-65.7-176136.600108.1L452 R453 K454L452-E476 HydrophobicContact CD1-CB 3.88Å; L452-E476 HydrophobicContact CD2-CB 4.02Å; L452-E476 HydrophobicContact CG-CB 3.91Å; R453-E476 WeakPolarHBondContact O-CA 3.35Å; K454-E476 HydrophobicContact CB-CG 4.37Å; K454-E476 HydrophobicContact CG-CG 4.48Å
477E98.2Very high95.4Very high8 Ų835.7 Ų35.74%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-138.2161.3-175.8-70.9-73173.500109.4L452 R453 Y469 I475 H479 F526 L531L452-E477 WeakPolarHBondContact CA-O 3.36Å; R453-E477 PolarHBondContact N-O 3.38Å; R453-E477 PolarHBondContact O-N 3.35Å; R453-E477 VanDerWaalsContact O-N 3.17Å; Y469-E477 WeakPolarHBondContact CE1-OE1 3.31Å; Y469-E477 PolarHBondContact OH-OE1 2.98Å; I475-E477 HydrophobicContact CD1-CG 4.06Å; E477-H479 PolarHBondContact O-CD2 3.04Å; E477-F526 HydrophobicContact CB-CB 3.55Å; E477-F526 HydrophobicContact CB-CD1 4.01Å; E477-F526 HydrophobicContact CB-CD2 3.5Å; E477-F526 VanDerWaalsContact CB-CD2 3.5Å; E477-F526 HydrophobicContact CB-CE2 4.15Å; E477-F526 HydrophobicContact CB-CG 3.42Å; E477-F526 VanDerWaalsContact CB-CG 3.42Å; E477-F526 HydrophobicContact CG-CD1 4.3Å; E477-F526 HydrophobicContact CG-CD2 3.55Å; E477-F526 HydrophobicContact CG-CE1 4.39Å; E477-F526 HydrophobicContact CG-CE2 3.67Å; E477-F526 HydrophobicContact CG-CG 3.9Å; E477-F526 HydrophobicContact CG-CZ 4.1Å; E477-L531 WeakPolarHBondContact OE2-CD1 3.28Å
478R98Very high95.5Very high1 Ų138.4 Ų38.40%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-89.6133.8-176.4-67-175.5-176156.72.3111.1F59 V60 D62 E75 G451 L452 F526 H527 Y530 L531F59-R478 VanDerWaalsContact CE1-NH1 3.29Å; V60-R478 HydrophobicContact CG1-CB 4.45Å; V60-R478 WeakPolarHBondContact O-CD 3.47Å; V60-R478 VanDerWaalsContact O-CZ 3.29Å; V60-R478 PolarHBondContact O-NE 3.25Å; V60-R478 PolarHBondContact O-NH1 2.87Å; D62-R478 IonicContact OD1-CZ 3.17Å; D62-R478 IonicContact OD1-NE 3.7Å; D62-R478 PolarHBondContact OD1-NE 2.99Å; D62-R478 IonicContact OD1-NH2 3.72Å; D62-R478 PolarHBondContact OD1-NH2 3.29Å; E75-R478 VanDerWaalsContact CD-NH2 3.3Å; E75-R478 IonicContact OE1-CZ 3.04Å; E75-R478 IonicContact OE1-NH1 2.73Å; E75-R478 IonicContact OE1-NH2 3.38Å; E75-R478 PolarHBondContact OE1-NH2 3.06Å; E75-R478 IonicContact OE2-CZ 3.09Å; E75-R478 VanDerWaalsContact OE2-CZ 3.24Å; E75-R478 IonicContact OE2-NH1 3.63Å; E75-R478 PolarHBondContact OE2-NH1 2.87Å; E75-R478 IonicContact OE2-NH2 3.89Å; E75-R478 PolarHBondContact OE2-NH2 3.49Å; G451-R478 WeakPolarHBondContact O-CA 3.26Å; L452-R478 HydrophobicContact CD1-CG 4.27Å; R478-F526 WeakPolarHBondContact O-CA 3.41Å; R478-F526 WeakPolarHBondContact O-CB 3.41Å; R478-H527 PolarHBondContact O-N 3.18Å; R478-Y530 HydrophobicContact CB-CD2 3.92Å; R478-L531 HydrophobicContact CG-CD2 4.32Å; R478-L531 HydrophobicContact CG-CG 4.5Å
479H97.6Very high95.6Very high0 Ų039.7 Ų39.70%024%0.238CC..EExtended strand (participates in β ladder)trans-110.8155178.1-66.1-100.4000111.3R449 V450 G451 E477 H481 E511R449-H479 HydrophobicContact CG-CB 4.03Å; R449-H479 CarbonylContact O-C 3.58Å; V450-H479 VanDerWaalsContact CA-O 3.28Å; V450-H479 WeakPolarHBondContact CA-O 3.47Å; G451-H479 PolarHBondContact N-O 3.24Å; G451-H479 VanDerWaalsContact N-O 3.11Å; G451-H479 PolarHBondContact O-N 2.87Å; E477-H479 PolarHBondContact O-CD2 3.04Å; H479-H481 AromaticContact ND1-CD2 3.97Å; H479-H481 AromaticContact ND1-NE2 3.29Å; H479-H481 PolarHBondContact ND1-NE2 3.34Å; H479-E511 IonicContact CE1-OE1 3.51Å; H479-E511 IonicContact CE1-OE2 3.71Å; H479-E511 PolarHBondContact CE1-OE2 2.87Å; H479-E511 IonicContact ND1-OE2 3.29Å
480R95.4Very high95.7Very high28 Ų2839.5 Ų39.511%0.10624%0.237CC..EExtended strand (participates in β ladder)trans-15874.8171.2-164.3-172.1179.6-114.3-6.9111G48 V60 E66 M448 R449 V450G48-R480 PolarHBondContact O-NH2 3.23Å; V60-R480 HydrophobicContact CG2-CB 3.97Å; V60-R480 HydrophobicContact CG2-CG 3.99Å; E66-R480 IonicContact OE1-CZ 3.91Å; E66-R480 IonicContact OE1-NE 3.63Å; E66-R480 PolarHBondContact OE1-NE 3.21Å; E66-R480 IonicContact OE1-NH2 3.21Å; E66-R480 PolarHBondContact OE1-NH2 3.06Å; M448-R480 HydrophobicContact CE-CG 3.95Å; M448-R480 HydrophobicContact SD-CG 4.02Å; R449-R480 WeakPolarHBondContact O-CA 3.43Å; R449-R480 PolarHBondContact O-N 2.92Å; V450-R480 HydrophobicContact CG2-CG 4.46Å
481H94.6Very high96Very high4 Ų443.9 Ų43.92%0.01924%0.241CC..EExtended strand (participates in β ladder)trans-159.6173.9-177.762.374.2000113.1M448 R449 H479 E484 Q525M448-H481 WeakPolarHBondContact CG-O 3.36Å; R449-H481 WeakPolarHBondContact CB-O 3.33Å; R449-H481 PolarHBondContact N-O 3.2Å; R449-H481 PolarHBondContact O-N 2.99Å; R449-H481 VanDerWaalsContact O-N 3.08Å; H479-H481 AromaticContact ND1-CD2 3.97Å; H479-H481 AromaticContact ND1-NE2 3.29Å; H479-H481 PolarHBondContact ND1-NE2 3.34Å; H481-E484 IonicContact CE1-OE1 3.44Å; H481-E484 PolarHBondContact CE1-OE1 3.25Å; H481-E484 IonicContact CE1-OE2 2.66Å; H481-E484 IonicContact ND1-OE1 2.8Å; H481-Q525 PolarHBondContact CD2-O 2.81Å
482R93.8Very high96.3Very high102 Ų10248 Ų4839%0.38524%0.241SC..SBendtrans-125.5-26.2-179.8-66.5-177.761.21382.4114.2D435 M436 M448D435-R482 IonicContact OD1-NE 3.03Å; D435-R482 IonicContact OD2-NH2 2.57Å; M436-R482 PolarHBondContact N-O 3Å; M436-R482 VanDerWaalsContact N-O 3.08Å; M448-R482 HydrophobicContact CB-CG 4.21Å; M448-R482 HydrophobicContact CG-CG 4.02Å
483Y96.3Very high96.5Very high46 Ų4645.7 Ų45.718%0.1823%0.227CC..EExtended strand (participates in β ladder)trans-99.9139.5-171.4-64.4-87.3000111Q403 E423 M434 D435 Q525Q403-Y483 PolarHBondContact NE2-O 3.04Å; E423-Y483 HydrophobicContact CB-CD1 4.08Å; E423-Y483 HydrophobicContact CB-CD2 4.12Å; E423-Y483 HydrophobicContact CB-CE1 3.63Å; E423-Y483 HydrophobicContact CB-CE2 3.67Å; E423-Y483 HydrophobicContact CB-CG 4.33Å; E423-Y483 VanDerWaalsContact CB-CZ 3.4Å; E423-Y483 VanDerWaalsContact CD-CE2 3.46Å; E423-Y483 HydrophobicContact CG-CD2 4.26Å; E423-Y483 HydrophobicContact CG-CE1 4.34Å; E423-Y483 HydrophobicContact CG-CE2 3.54Å; E423-Y483 VanDerWaalsContact OE2-CD2 3.32Å; E423-Y483 WeakPolarHBondContact OE2-CD2 3.38Å; E423-Y483 WeakPolarHBondContact OE2-CE2 3.43Å; M434-Y483 WeakPolarHBondContact O-CA 3.39Å; D435-Y483 HydrophobicContact CB-CD1 3.97Å; D435-Y483 HydrophobicContact CB-CE1 3.69Å; Y483-Q525 PolarHBondContact O-NE2 3.04Å
484E97.7Very high96.6Very high1 Ų144.6 Ų44.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-128.2156.3-176.4-63.3-70.4-167.100111.4V433 M434 M436 H481 N486 R509 Q525V433-E484 CarbonylContact C-O 3.54Å; V433-E484 VanDerWaalsContact CA-O 3.32Å; V433-E484 WeakPolarHBondContact CA-O 3.49Å; M434-E484 PolarHBondContact N-O 3.33Å; M434-E484 PolarHBondContact O-N 3.34Å; M436-E484 HydrophobicContact CB-CB 3.94Å; M436-E484 HydrophobicContact CB-CG 3.78Å; M436-E484 HydrophobicContact CE-CB 4.36Å; M436-E484 HydrophobicContact CG-CG 4.44Å; M436-E484 HydrophobicContact SD-CB 4.24Å; M436-E484 HydrophobicContact SD-CG 4.24Å; H481-E484 IonicContact CE1-OE1 3.44Å; H481-E484 PolarHBondContact CE1-OE1 3.25Å; H481-E484 IonicContact CE1-OE2 2.66Å; H481-E484 IonicContact ND1-OE1 2.8Å; E484-N486 PolarHBondContact O-N 2.92Å; E484-R509 HydrophobicContact CG-CG 3.99Å; E484-R509 WeakPolarHBondContact OE1-CD 3.23Å; E484-R509 WeakPolarHBondContact OE1-CG 3.42Å; E484-R509 IonicContact OE1-NE 3.81Å; E484-R509 PolarHBondContact OE1-NE 3.23Å; E484-Q525 PolarHBondContact OE2-NE2 3.47Å
485V97.8Very high96.6Very high1 Ų151.1 Ų51.11%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-64.7130.4171.7-175.60000109.3M402 V406 A487 I490 F500 M510M402-V485 HydrophobicContact CE-CG2 4.21Å; V406-V485 HydrophobicContact CG1-CG1 4.16Å; V406-V485 HydrophobicContact CG1-CG2 4.42Å; V406-V485 HydrophobicContact CG2-CG2 3.96Å; V485-A487 PolarHBondContact O-N 3.01Å; V485-I490 HydrophobicContact CB-CD1 4.37Å; V485-I490 HydrophobicContact CG1-CD1 3.56Å; V485-F500 HydrophobicContact CG1-CE1 4.23Å; V485-F500 HydrophobicContact CG1-CZ 3.89Å; V485-F500 HydrophobicContact CG2-CE1 4.12Å; V485-M510 HydrophobicContact CB-CB 4.48Å
486N97.4Very high96.6Very high13 Ų1354.4 Ų54.47%0.0725%0.254CS..  trans-69115.3179.6-175.4-17.8000110.5P431 V432 M434 E484 N488 Y489P431-N486 WeakPolarHBondContact O-CB 3.3Å; P431-N486 PolarHBondContact O-ND2 3.1Å; V432-N486 PolarHBondContact O-N 2.89Å; M434-N486 HydrophobicContact CG-CB 4.11Å; M434-N486 HydrophobicContact SD-CB 3.88Å; M434-N486 VanDerWaalsContact SD-CG 3.52Å; E484-N486 PolarHBondContact O-N 2.92Å; N486-N488 PolarHBondContact O-N 3.36Å; N486-N488 WeakPolarHBondContact OD1-CB 3.29Å; N486-N488 PolarHBondContact OD1-N 3.4Å; N486-N488 VanDerWaalsContact OD1-N 3.11Å; N486-N488 PolarHBondContact OD1-ND2 3.4Å; N486-Y489 HydrophobicContact CB-CD2 3.96Å; N486-Y489 HydrophobicContact CB-CE2 4.46Å; N486-Y489 PolarHBondContact O-N 3.15Å
487A95.3Very high96.4Very high53 Ų5349.4 Ų49.444%0.43823%0.231SC..G310 helixtrans-53.6-27.1-177.200000113.7V485 Y489 I490V485-A487 PolarHBondContact O-N 3.01Å; A487-Y489 PolarHBondContact O-N 3.12Å; A487-I490 WeakPolarHBondContact O-CG1 3.35Å; A487-I490 PolarHBondContact O-N 2.87Å
488N96.3Very high96.4Very high136 Ų13649 Ų4973%0.72723%0.229SC*.G310 helixtrans-66.8-16.8-179.9-65.3-31.5000114.1N486N486-N488 PolarHBondContact O-N 3.36Å; N486-N488 WeakPolarHBondContact OD1-CB 3.29Å; N486-N488 PolarHBondContact OD1-N 3.4Å; N486-N488 VanDerWaalsContact OD1-N 3.11Å; N486-N488 PolarHBondContact OD1-ND2 3.4Å
489Y97.1Very high96.3Very high29 Ų2950.3 Ų50.311%0.11424%0.236CC..G310 helixtrans-101.8-12.5-178.6-69.2-93.7000113.7L416 H430 V432 N486 A487 E491 R492 F493L416-Y489 HydrophobicContact CD1-CD1 3.95Å; L416-Y489 HydrophobicContact CD1-CE1 3.81Å; H430-Y489 WeakPolarHBondContact CA-OH 3.49Å; V432-Y489 HydrophobicContact CG1-CD1 3.93Å; V432-Y489 HydrophobicContact CG1-CD2 4.32Å; V432-Y489 HydrophobicContact CG1-CE1 4.15Å; V432-Y489 HydrophobicContact CG1-CG 4.03Å; N486-Y489 HydrophobicContact CB-CD2 3.96Å; N486-Y489 HydrophobicContact CB-CE2 4.46Å; N486-Y489 PolarHBondContact O-N 3.15Å; A487-Y489 PolarHBondContact O-N 3.12Å; Y489-E491 VanDerWaalsContact C-N 3.35Å; Y489-E491 PolarHBondContact O-N 3.32Å; Y489-R492 WeakPolarHBondContact O-CB 3.39Å; Y489-R492 PolarHBondContact O-N 3.26Å; Y489-F493 VanDerWaalsContact O-CD2 3.27Å; Y489-F493 WeakPolarHBondContact O-CD2 3.33Å; Y489-F493 PolarHBondContact O-N 3.31Å
490I96.3Very high96.2Very high11 Ų1150.5 Ų50.56%0.05624%0.237CC..Hα-helixtrans-54.4-47.1-168.7-61.4-56.9000112.6V485 A487 R492 F493 E494 F500 M510V485-I490 HydrophobicContact CB-CD1 4.37Å; V485-I490 HydrophobicContact CG1-CD1 3.56Å; A487-I490 WeakPolarHBondContact O-CG1 3.35Å; A487-I490 PolarHBondContact O-N 2.87Å; I490-R492 PolarHBondContact O-N 2.94Å; I490-F493 WeakPolarHBondContact O-CB 3.28Å; I490-F493 PolarHBondContact O-N 3.41Å; I490-F493 VanDerWaalsContact O-N 3.08Å; I490-E494 HydrophobicContact CG2-CG 4.18Å; I490-E494 PolarHBondContact O-N 3.02Å; I490-F500 HydrophobicContact CD1-CD2 3.74Å; I490-F500 HydrophobicContact CD1-CE1 4.41Å; I490-F500 HydrophobicContact CD1-CE2 3.43Å; I490-F500 VanDerWaalsContact CD1-CE2 3.43Å; I490-F500 HydrophobicContact CD1-CG 4.31Å; I490-F500 HydrophobicContact CD1-CZ 3.8Å; I490-F500 HydrophobicContact CG2-CD2 3.84Å; I490-F500 HydrophobicContact CG2-CE2 4.32Å; I490-M510 HydrophobicContact CD1-CG 3.52Å; I490-M510 HydrophobicContact CD1-SD 4.31Å; I490-M510 HydrophobicContact CG1-CE 4.31Å; I490-M510 HydrophobicContact CG1-CG 4.27Å
491E95.9Very high96.2Very high156 Ų15649.5 Ų49.573%0.72923%0.234SC*.Hα-helixtrans-58.5-36.9179.7-168.6-173.1168.200112.1Y489 K495Y489-E491 VanDerWaalsContact C-N 3.35Å; Y489-E491 PolarHBondContact O-N 3.32Å; E491-K495 VanDerWaalsContact O-CB 3.23Å; E491-K495 WeakPolarHBondContact O-CB 3.44Å; E491-K495 PolarHBondContact O-N 3.14Å
492R97.1Very high96.3Very high135 Ų13549.3 Ų49.351%0.50923%0.233SC..Hα-helixtrans-67.7-38.3178.4-59.6-174.5-176.9-170.92111.6L414 Y489 I490 N496L414-R492 HydrophobicContact CD1-CB 4.09Å; L414-R492 WeakPolarHBondContact CD2-O 3.44Å; Y489-R492 WeakPolarHBondContact O-CB 3.39Å; Y489-R492 PolarHBondContact O-N 3.26Å; I490-R492 PolarHBondContact O-N 2.94Å; R492-N496 PolarHBondContact O-N 3.36Å; R492-N496 PolarHBondContact O-ND2 2.78Å
493F97.5Very high96.5Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-67-52.1175.6-77.5-83.6000111.4V406 F409 A410 L414 V432 Y489 I490 K495 N496 G497 F498 F500V406-F493 HydrophobicContact CG1-CE1 4.01Å; V406-F493 HydrophobicContact CG1-CE2 4.15Å; V406-F493 HydrophobicContact CG1-CZ 3.53Å; V406-F493 WeakPolarHBondContact O-CE1 3.49Å; F409-F493 HydrophobicContact CB-CE1 4.11Å; F409-F493 AromaticContact CD1-CD1 3.52Å; F409-F493 HydrophobicContact CD1-CD1 3.52Å; F409-F493 AromaticContact CD1-CE1 3.77Å; F409-F493 HydrophobicContact CD1-CE1 3.77Å; F409-F493 HydrophobicContact CE1-CD1 4.14Å; F409-F493 HydrophobicContact CG-CD1 4.34Å; F409-F493 HydrophobicContact CG-CE1 4.37Å; A410-F493 HydrophobicContact CB-CE1 4.3Å; A410-F493 HydrophobicContact CB-CZ 3.88Å; L414-F493 HydrophobicContact CD1-CD1 4Å; L414-F493 HydrophobicContact CD1-CD2 4.12Å; L414-F493 HydrophobicContact CD1-CE1 3.98Å; L414-F493 HydrophobicContact CD1-CE2 4.1Å; L414-F493 HydrophobicContact CD1-CG 4.06Å; L414-F493 HydrophobicContact CD1-CZ 4.02Å; V432-F493 HydrophobicContact CG1-CZ 4.46Å; Y489-F493 VanDerWaalsContact O-CD2 3.27Å; Y489-F493 WeakPolarHBondContact O-CD2 3.33Å; Y489-F493 PolarHBondContact O-N 3.31Å; I490-F493 WeakPolarHBondContact O-CB 3.28Å; I490-F493 PolarHBondContact O-N 3.41Å; I490-F493 VanDerWaalsContact O-N 3.08Å; F493-K495 VanDerWaalsContact C-N 3.32Å; F493-K495 PolarHBondContact O-N 2.83Å; F493-N496 CarbonylContact O-C 3.3Å; F493-N496 WeakPolarHBondContact O-CA 3.43Å; F493-N496 PolarHBondContact O-N 3.32Å; F493-G497 PolarHBondContact O-N 2.88Å; F493-F498 CarbonylContact C-O 3.52Å; F493-F498 HydrophobicContact CB-CB 4.16Å; F493-F498 HydrophobicContact CB-CD1 4.35Å; F493-F498 HydrophobicContact CD1-CB 4.11Å; F493-F498 AromaticContact CD1-CD1 3.9Å; F493-F498 HydrophobicContact CD1-CD1 3.9Å; F493-F498 HydrophobicContact CD1-CG 4.06Å; F493-F498 HydrophobicContact CG-CD1 4.45Å; F493-F498 PolarHBondContact O-N 3.41Å; F493-F500 HydrophobicContact CB-CE2 3.67Å; F493-F500 HydrophobicContact CB-CZ 4.41Å; F493-F500 HydrophobicContact CD2-CE2 4.25Å; F493-F500 HydrophobicContact CD2-CZ 4.47Å; F493-F500 HydrophobicContact CG-CE2 4.02Å; F493-F500 HydrophobicContact CG-CZ 4.33Å
494E95.5Very high96.5Very high65 Ų6545.2 Ų45.230%0.30422%0.218SC..Hα-helixtrans-61.1-41.2-177.2-69-178.7161.100111.2I490 N496 G497 F498 F500 R503I490-E494 HydrophobicContact CG2-CG 4.18Å; I490-E494 PolarHBondContact O-N 3.02Å; E494-N496 PolarHBondContact O-N 3.45Å; E494-G497 PolarHBondContact O-N 2.75Å; E494-F498 WeakPolarHBondContact CA-O 3.28Å; E494-F498 PolarHBondContact N-O 3.12Å; E494-F500 HydrophobicContact CG-CD2 4.2Å; E494-R503 IonicContact OE1-NH2 3.16Å; E494-R503 PolarHBondContact OE1-NH2 3.33Å; E494-R503 VanDerWaalsContact OE1-NH2 3.09Å
495K95.9Very high96.4Very high170 Ų17049.3 Ų49.374%0.73924%0.243SC*.Hα-helixtrans-59-30.3175.1-173.8174.3-179.2177.20113.2E491 F493E491-K495 VanDerWaalsContact O-CB 3.23Å; E491-K495 WeakPolarHBondContact O-CB 3.44Å; E491-K495 PolarHBondContact O-N 3.14Å; F493-K495 VanDerWaalsContact C-N 3.32Å; F493-K495 PolarHBondContact O-N 2.83Å
496N96.7Very high96.2Very high78 Ų7854.9 Ų54.942%0.41727%0.273SS..THydrogen-bonded Turntrans-969.7178.2-71.5-78.6000113.1F409 V413 L414 R492 F493 E494F409-N496 HydrophobicContact CE1-CB 3.93Å; F409-N496 HydrophobicContact CZ-CB 3.98Å; V413-N496 HydrophobicContact CG1-CB 4.34Å; L414-N496 HydrophobicContact CD2-CB 3.89Å; L414-N496 WeakPolarHBondContact CD2-ND2 3.42Å; R492-N496 PolarHBondContact O-N 3.36Å; R492-N496 PolarHBondContact O-ND2 2.78Å; F493-N496 CarbonylContact O-C 3.3Å; F493-N496 WeakPolarHBondContact O-CA 3.43Å; F493-N496 PolarHBondContact O-N 3.32Å; E494-N496 PolarHBondContact O-N 3.45Å
497G94.9Very high96Very high1 Ų155.6 Ų55.61%0.0128%0.283CS..THydrogen-bonded Turntrans89.34172.900000115.4F493 E494 N499 R516F493-G497 PolarHBondContact O-N 2.88Å; E494-G497 PolarHBondContact O-N 2.75Å; G497-N499 PolarHBondContact O-N 2.88Å; G497-R516 WeakPolarHBondContact O-CB 3.46Å; G497-R516 PolarHBondContact O-N 2.81Å
498F96.5Very high95.9Very high0 Ų057.7 Ų57.70%029%0.287CS..EExtended strand (participates in β ladder)trans-90.293.6170.3-165.2-79.7000108.3A405 V406 F409 F493 E494 F500 C513 L515 Y521A405-F498 HydrophobicContact CB-CZ 4.44Å; V406-F498 HydrophobicContact CG2-CE1 3.9Å; V406-F498 HydrophobicContact CG2-CZ 4.08Å; F409-F498 HydrophobicContact CB-CD2 4.09Å; F409-F498 HydrophobicContact CB-CE2 4.28Å; F409-F498 HydrophobicContact CD1-CB 3.95Å; F409-F498 HydrophobicContact CD1-CD2 4.26Å; F409-F498 HydrophobicContact CD1-CG 4.26Å; F409-F498 HydrophobicContact CD2-CB 4.31Å; F409-F498 AromaticContact CD2-CD2 3.65Å; F409-F498 HydrophobicContact CD2-CD2 3.65Å; F409-F498 HydrophobicContact CD2-CE2 4.43Å; F409-F498 HydrophobicContact CD2-CG 4.36Å; F409-F498 HydrophobicContact CE1-CB 3.69Å; F409-F498 HydrophobicContact CE1-CG 4.47Å; F409-F498 HydrophobicContact CE2-CB 4.07Å; F409-F498 HydrophobicContact CE2-CD2 4.1Å; F409-F498 HydrophobicContact CG-CB 4.24Å; F409-F498 AromaticContact CG-CD2 3.73Å; F409-F498 HydrophobicContact CG-CD2 3.73Å; F409-F498 HydrophobicContact CG-CE2 4.4Å; F409-F498 HydrophobicContact CG-CG 4.19Å; F409-F498 HydrophobicContact CZ-CB 3.75Å; F493-F498 CarbonylContact C-O 3.52Å; F493-F498 HydrophobicContact CB-CB 4.16Å; F493-F498 HydrophobicContact CB-CD1 4.35Å; F493-F498 HydrophobicContact CD1-CB 4.11Å; F493-F498 AromaticContact CD1-CD1 3.9Å; F493-F498 HydrophobicContact CD1-CD1 3.9Å; F493-F498 HydrophobicContact CD1-CG 4.06Å; F493-F498 HydrophobicContact CG-CD1 4.45Å; F493-F498 PolarHBondContact O-N 3.41Å; E494-F498 WeakPolarHBondContact CA-O 3.28Å; E494-F498 PolarHBondContact N-O 3.12Å; F498-F500 HydrophobicContact CD1-CE1 4.38Å; F498-F500 HydrophobicContact CD1-CE2 4.21Å; F498-F500 AromaticContact CD1-CZ 3.96Å; F498-F500 HydrophobicContact CD1-CZ 3.96Å; F498-F500 AromaticContact CE1-CE1 3.99Å; F498-F500 HydrophobicContact CE1-CE1 3.99Å; F498-F500 AromaticContact CE1-CZ 3.9Å; F498-F500 HydrophobicContact CE1-CZ 3.9Å; F498-C513 HydrophobicContact CD1-CB 4.16Å; F498-C513 HydrophobicContact CE1-CB 3.43Å; F498-C513 VanDerWaalsContact CE1-CB 3.43Å; F498-C513 VanDerWaalsContact CE1-SG 3.57Å; F498-C513 HydrophobicContact CZ-CB 3.93Å; F498-C513 WeakPolarHBondContact CZ-SG 3.49Å; F498-L515 HydrophobicContact CB-CD1 4.41Å; F498-L515 HydrophobicContact CD2-CD1 4.23Å; F498-Y521 HydrophobicContact CE2-CE1 4.07Å
499N95.8Very high95.9Very high28 Ų2852.6 Ų52.615%0.1526%0.257CS..EExtended strand (participates in β ladder)trans-94.7137.9-167.6-60.3-43.4000111.5G497 V501 C513 E514G497-N499 PolarHBondContact O-N 2.88Å; N499-V501 HydrophobicContact CB-CG1 4.17Å; N499-C513 CarbonylContact O-C 3.6Å; N499-C513 WeakPolarHBondContact O-CA 3.47Å; N499-E514 PolarHBondContact N-O 2.85Å; N499-E514 PolarHBondContact O-N 3.29Å
500F96.4Very high95.9Very high4 Ų451.4 Ų51.42%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-97.795.4172.4-63.5-81.5000110.2M402 V406 V485 I490 F493 E494 F498 M510 V512 C513M402-F500 HydrophobicContact CE-CD1 4.07Å; M402-F500 HydrophobicContact CE-CE1 3.92Å; V406-F500 HydrophobicContact CG2-CE1 4.27Å; V406-F500 HydrophobicContact CG2-CZ 4.29Å; V485-F500 HydrophobicContact CG1-CE1 4.23Å; V485-F500 HydrophobicContact CG1-CZ 3.89Å; V485-F500 HydrophobicContact CG2-CE1 4.12Å; I490-F500 HydrophobicContact CD1-CD2 3.74Å; I490-F500 HydrophobicContact CD1-CE1 4.41Å; I490-F500 HydrophobicContact CD1-CE2 3.43Å; I490-F500 VanDerWaalsContact CD1-CE2 3.43Å; I490-F500 HydrophobicContact CD1-CG 4.31Å; I490-F500 HydrophobicContact CD1-CZ 3.8Å; I490-F500 HydrophobicContact CG2-CD2 3.84Å; I490-F500 HydrophobicContact CG2-CE2 4.32Å; F493-F500 HydrophobicContact CB-CE2 3.67Å; F493-F500 HydrophobicContact CB-CZ 4.41Å; F493-F500 HydrophobicContact CD2-CE2 4.25Å; F493-F500 HydrophobicContact CD2-CZ 4.47Å; F493-F500 HydrophobicContact CG-CE2 4.02Å; F493-F500 HydrophobicContact CG-CZ 4.33Å; E494-F500 HydrophobicContact CG-CD2 4.2Å; F498-F500 HydrophobicContact CD1-CE1 4.38Å; F498-F500 HydrophobicContact CD1-CE2 4.21Å; F498-F500 AromaticContact CD1-CZ 3.96Å; F498-F500 HydrophobicContact CD1-CZ 3.96Å; F498-F500 AromaticContact CE1-CE1 3.99Å; F498-F500 HydrophobicContact CE1-CE1 3.99Å; F498-F500 AromaticContact CE1-CZ 3.9Å; F498-F500 HydrophobicContact CE1-CZ 3.9Å; F500-M510 HydrophobicContact CB-CB 4.1Å; F500-M510 HydrophobicContact CB-CG 3.99Å; F500-M510 HydrophobicContact CB-SD 3.65Å; F500-M510 HydrophobicContact CD1-CB 3.37Å; F500-M510 HydrophobicContact CD1-CG 3.75Å; F500-M510 HydrophobicContact CD2-CG 4.41Å; F500-M510 HydrophobicContact CE1-CB 3.93Å; F500-M510 HydrophobicContact CE1-CG 4.27Å; F500-M510 HydrophobicContact CG-CB 3.88Å; F500-M510 HydrophobicContact CG-CG 3.79Å; F500-M510 HydrophobicContact CG-SD 4.07Å; F500-V512 CarbonylContact C-O 3.55Å; F500-V512 WeakPolarHBondContact CA-O 3.44Å; F500-C513 HydrophobicContact CD1-CB 3.74Å; F500-C513 HydrophobicContact CE1-CB 3.91Å
501V96.2Very high96Very high6 Ų650.9 Ų50.94%0.03625%0.25CS..EExtended strand (participates in β ladder)trans-89.4-16.6-170.5-59.50000113.6F457 Q458 N499 V512 E514F457-V501 CarbonylContact C-O 3.3Å; F457-V501 WeakPolarHBondContact CA-O 3.37Å; Q458-V501 PolarHBondContact N-O 2.66Å; N499-V501 HydrophobicContact CB-CG1 4.17Å; V501-V512 HydrophobicContact CG2-CB 3.88Å; V501-V512 HydrophobicContact CG2-CG1 3.55Å; V501-V512 PolarHBondContact N-O 2.92Å; V501-E514 HydrophobicContact CG1-CB 4.4Å; V501-E514 HydrophobicContact CG1-CG 4.28Å; V501-E514 HydrophobicContact CG2-CG 3.83Å
502G96.4Very high96.1Very high0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-124.6133.4176.700000110.2E511 V512G502-E511 PolarHBondContact O-N 3.25Å; G502-V512 PolarHBondContact N-O 3.39Å; G502-V512 PolarHBondContact O-N 3.4Å
503R97Very high96.1Very high56 Ų5637.1 Ų37.121%0.21119%0.192CC..EExtended strand (participates in β ladder)trans-131.5158.7179-56.5-172.6-179.5-168.2-1111.1T455 I456 Q458 E494 R509 M510T455-R503 CarbonylContact C-O 3.51Å; T455-R503 WeakPolarHBondContact CA-O 3.39Å; I456-R503 PolarHBondContact N-O 3.36Å; I456-R503 PolarHBondContact O-N 3.4Å; Q458-R503 HydrophobicContact CG-CG 3.88Å; E494-R503 IonicContact OE1-NH2 3.16Å; E494-R503 PolarHBondContact OE1-NH2 3.33Å; E494-R503 VanDerWaalsContact OE1-NH2 3.09Å; R503-R509 CarbonylContact C-O 3.43Å; R503-R509 WeakPolarHBondContact CA-O 3.33Å; R503-R509 WeakPolarHBondContact CB-O 3.41Å; R503-M510 HydrophobicContact CG-CE 4.28Å; R503-M510 HydrophobicContact CG-SD 3.68Å; R503-M510 PolarHBondContact NE-SD 2.92Å; R503-M510 VanDerWaalsContact NE-SD 3.38Å
504D96.5Very high96.1Very high6 Ų638.2 Ų38.23%0.03220%0.197CC..EExtended strand (participates in β ladder)trans-66.4174171.279-24.7000111.9N506 G507 N508 R509 E511D504-N506 PolarHBondContact O-N 2.72Å; D504-G507 PolarHBondContact O-N 2.98Å; D504-G507 WeakPolarHBondContact OD1-CA 3.38Å; D504-G507 PolarHBondContact OD1-N 2.93Å; D504-N508 PolarHBondContact OD1-N 3.29Å; D504-R509 HydrophobicContact CB-CB 4.01Å; D504-R509 PolarHBondContact N-O 3.41Å; D504-R509 PolarHBondContact OD1-N 2.96Å; D504-R509 VanDerWaalsContact OD1-N 3.07Å; D504-R509 IonicContact OD2-NH1 3.49Å; D504-E511 HydrophobicContact CB-CG 4.45Å
505V95.7Very high96.2Very high88 Ų8836.4 Ų36.453%0.53319%0.189SC..THydrogen-bonded Turntrans-57.5-34.1-177.3179.60000112.8K454K454-V505 HydrophobicContact CB-CG2 3.92Å; K454-V505 HydrophobicContact CD-CG2 4.36Å; K454-V505 HydrophobicContact CG-CG2 4.34Å
506N93.7Very high96.1Very high118 Ų11836.8 Ų36.863%0.63119%0.186SC*.THydrogen-bonded Turntrans-87.8-8.4-179-63.3-31.5000112.9D504 N508D504-N506 PolarHBondContact O-N 2.72Å; N506-N508 PolarHBondContact O-N 3.17Å
507G93.5Very high95.9Very high28 Ų2836.5 Ų36.529%0.28920%0.201SC..SBendtrans73.69.3-177.100000114.8D504D504-G507 PolarHBondContact O-N 2.98Å; D504-G507 WeakPolarHBondContact OD1-CA 3.38Å; D504-G507 PolarHBondContact OD1-N 2.93Å
508N93Very high96Very high97 Ų9737.6 Ų37.652%0.51921%0.206SC..  trans-86.9-27.9-175.9-69.1-25000112.3D504 N506D504-N508 PolarHBondContact OD1-N 3.29Å; N506-N508 PolarHBondContact O-N 3.17Å
509R97Very high96Very high28 Ų2841.1 Ų41.111%0.10623%0.229CC..SBendtrans-112137.7-176.9-62.5169.1167.1116.9-0.3110.3M436 E484 R503 D504M436-R509 PolarHBondContact O-NH2 3.01Å; M436-R509 HydrophobicContact SD-CG 4.14Å; E484-R509 HydrophobicContact CG-CG 3.99Å; E484-R509 WeakPolarHBondContact OE1-CD 3.23Å; E484-R509 WeakPolarHBondContact OE1-CG 3.42Å; E484-R509 IonicContact OE1-NE 3.81Å; E484-R509 PolarHBondContact OE1-NE 3.23Å; R503-R509 CarbonylContact C-O 3.43Å; R503-R509 WeakPolarHBondContact CA-O 3.33Å; R503-R509 WeakPolarHBondContact CB-O 3.41Å; D504-R509 HydrophobicContact CB-CB 4.01Å; D504-R509 PolarHBondContact N-O 3.41Å; D504-R509 PolarHBondContact OD1-N 2.96Å; D504-R509 VanDerWaalsContact OD1-N 3.07Å; D504-R509 IonicContact OD2-NH1 3.49Å
510M97.2Very high96.1Very high5 Ų539.9 Ų39.93%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-97.1116.5177-54.3-58.7133.600109.3M402 V485 I490 F500 R503 Q525M402-M510 HydrophobicContact CE-CB 4.41Å; M402-M510 WeakPolarHBondContact CE-O 3.46Å; V485-M510 HydrophobicContact CB-CB 4.48Å; I490-M510 HydrophobicContact CD1-CG 3.52Å; I490-M510 HydrophobicContact CD1-SD 4.31Å; I490-M510 HydrophobicContact CG1-CE 4.31Å; I490-M510 HydrophobicContact CG1-CG 4.27Å; F500-M510 HydrophobicContact CB-CB 4.1Å; F500-M510 HydrophobicContact CB-CG 3.99Å; F500-M510 HydrophobicContact CB-SD 3.65Å; F500-M510 HydrophobicContact CD1-CB 3.37Å; F500-M510 HydrophobicContact CD1-CG 3.75Å; F500-M510 HydrophobicContact CD2-CG 4.41Å; F500-M510 HydrophobicContact CE1-CB 3.93Å; F500-M510 HydrophobicContact CE1-CG 4.27Å; F500-M510 HydrophobicContact CG-CB 3.88Å; F500-M510 HydrophobicContact CG-CG 3.79Å; F500-M510 HydrophobicContact CG-SD 4.07Å; R503-M510 HydrophobicContact CG-CE 4.28Å; R503-M510 HydrophobicContact CG-SD 3.68Å; R503-M510 PolarHBondContact NE-SD 2.92Å; R503-M510 VanDerWaalsContact NE-SD 3.38Å; M510-Q525 WeakPolarHBondContact O-CG 3.37Å
511E97.4Very high96.2Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-105.3-25.6-168.5-59.5-72.4-166.400112.6R449 T455 H479 G502 D504 V524 Q525R449-E511 IonicContact CZ-OE1 2.82Å; R449-E511 IonicContact NE-OE1 3.76Å; R449-E511 PolarHBondContact NE-OE1 2.96Å; R449-E511 IonicContact NH2-OE1 3.38Å; R449-E511 PolarHBondContact NH2-OE1 3.08Å; T455-E511 HydrophobicContact CG2-CB 3.69Å; T455-E511 HydrophobicContact CG2-CG 4.21Å; H479-E511 IonicContact CE1-OE1 3.51Å; H479-E511 IonicContact CE1-OE2 3.71Å; H479-E511 PolarHBondContact CE1-OE2 2.87Å; H479-E511 IonicContact ND1-OE2 3.29Å; G502-E511 PolarHBondContact O-N 3.25Å; D504-E511 HydrophobicContact CB-CG 4.45Å; E511-V524 CarbonylContact O-C 3.56Å; E511-V524 VanDerWaalsContact O-CA 3.32Å; E511-V524 WeakPolarHBondContact O-CA 3.46Å; E511-Q525 PolarHBondContact O-N 3.25Å; E511-Q525 WeakPolarHBondContact OE2-CB 3.36Å
512V97.8Very high96.3Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-137.9127.4179-173.10000109.6T455 F457 V465 F500 V501 G502 G523 V524 F526T455-V512 HydrophobicContact CG2-CG2 4.26Å; F457-V512 HydrophobicContact CE1-CG2 4.43Å; V465-V512 HydrophobicContact CB-CG1 4.17Å; V465-V512 HydrophobicContact CG1-CG1 4.27Å; V465-V512 HydrophobicContact CG2-CG1 3.95Å; F500-V512 CarbonylContact C-O 3.55Å; F500-V512 WeakPolarHBondContact CA-O 3.44Å; V501-V512 HydrophobicContact CG2-CB 3.88Å; V501-V512 HydrophobicContact CG2-CG1 3.55Å; V501-V512 PolarHBondContact N-O 2.92Å; G502-V512 PolarHBondContact N-O 3.39Å; G502-V512 PolarHBondContact O-N 3.4Å; V512-G523 CarbonylContact C-O 3.57Å; V512-G523 WeakPolarHBondContact CA-O 3.02Å; V512-V524 HydrophobicContact CG1-CG1 4.22Å; V512-V524 HydrophobicContact CG2-CG1 4.26Å; V512-F526 HydrophobicContact CG2-CE1 3.65Å; V512-F526 HydrophobicContact CG2-CZ 4.19Å
513C97.2Very high96.4Very high1 Ų139.7 Ų39.71%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-119.9147171.666.70000112.9M402 F498 N499 F500 V522 G523M402-C513 HydrophobicContact CE-CB 4.05Å; F498-C513 HydrophobicContact CD1-CB 4.16Å; F498-C513 HydrophobicContact CE1-CB 3.43Å; F498-C513 VanDerWaalsContact CE1-CB 3.43Å; F498-C513 VanDerWaalsContact CE1-SG 3.57Å; F498-C513 HydrophobicContact CZ-CB 3.93Å; F498-C513 WeakPolarHBondContact CZ-SG 3.49Å; N499-C513 CarbonylContact O-C 3.6Å; N499-C513 WeakPolarHBondContact O-CA 3.47Å; F500-C513 HydrophobicContact CD1-CB 3.74Å; F500-C513 HydrophobicContact CE1-CB 3.91Å; C513-V522 WeakPolarHBondContact O-CA 3.41Å; C513-G523 PolarHBondContact N-O 3.48Å; C513-G523 PolarHBondContact O-N 3Å; C513-G523 VanDerWaalsContact SG-CA 3.5Å
514E97.4Very high96.5Very high24 Ų2437 Ų3711%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-135.2138178.2-62.5-176.1-178.700110.8S463 V464 V465 N499 V501 Y521 V522S463-E514 WeakPolarHBondContact CA-OE1 3.48Å; S463-E514 WeakPolarHBondContact CA-OE2 3.33Å; S463-E514 WeakPolarHBondContact CB-OE1 3.37Å; S463-E514 PolarHBondContact OG-OE1 3.29Å; V464-E514 HydrophobicContact CG1-CG 4.35Å; V464-E514 WeakPolarHBondContact CG1-OE1 3.39Å; V464-E514 PolarHBondContact N-OE1 3.27Å; V464-E514 PolarHBondContact N-OE2 2.85Å; V464-E514 VanDerWaalsContact N-OE2 3.09Å; V465-E514 WeakPolarHBondContact CG2-OE1 3.41Å; V465-E514 PolarHBondContact N-OE1 3.24Å; N499-E514 PolarHBondContact N-O 2.85Å; N499-E514 PolarHBondContact O-N 3.29Å; V501-E514 HydrophobicContact CG1-CB 4.4Å; V501-E514 HydrophobicContact CG1-CG 4.28Å; V501-E514 HydrophobicContact CG2-CG 3.83Å; E514-Y521 WeakPolarHBondContact CA-O 3.47Å; E514-V522 HydrophobicContact CG-CG2 4.37Å
515L96.9Very high96.6Very high26 Ų2636.7 Ų36.714%0.13621%0.209CC..EExtended strand (participates in β ladder)trans-92.8122.1174.4-174.861.3000112R389 F409 F498 G517 H518 Y521R389-L515 HydrophobicContact CG-CD2 3.65Å; F409-L515 HydrophobicContact CD2-CD1 4.32Å; F409-L515 HydrophobicContact CE2-CD1 3.61Å; F409-L515 HydrophobicContact CZ-CD1 4.3Å; F498-L515 HydrophobicContact CB-CD1 4.41Å; F498-L515 HydrophobicContact CD2-CD1 4.23Å; L515-G517 PolarHBondContact O-N 2.98Å; L515-H518 HydrophobicContact CB-CB 4.24Å; L515-H518 HydrophobicContact CD2-CB 4.12Å; L515-H518 HydrophobicContact CG-CB 4.26Å; L515-H518 PolarHBondContact O-N 3.26Å; L515-Y521 HydrophobicContact CB-CD1 3.97Å; L515-Y521 HydrophobicContact CB-CG 4.03Å; L515-Y521 HydrophobicContact CD2-CG 4.32Å; L515-Y521 PolarHBondContact N-O 2.85Å
516R94.7Very high96.7Very high179 Ų17932.5 Ų32.568%0.67518%0.184SC*.THydrogen-bonded Turntrans-63.2130.6175.8-173.4177.967.5-175.8-1.8111.3G497 H518G497-R516 WeakPolarHBondContact O-CB 3.46Å; G497-R516 PolarHBondContact O-N 2.81Å; R516-H518 VanDerWaalsContact C-N 3.34Å
517G93.5Very high96.9Very high71 Ų7127.5 Ų27.573%0.73216%0.156SC*.THydrogen-bonded Turntrans84.63.5174.200000115L515L515-G517 PolarHBondContact O-N 2.98Å
518H96.9Very high97.1Very high24 Ų2426.2 Ų26.211%0.11114%0.143CC..SBendtrans-98.7143.5173.4-167.4-79.5000110.8A388 K392 K393 L515 R516 Y520 Y521A388-H518 PolarHBondContact O-NE2 2.8Å; K392-H518 VanDerWaalsContact CA-NE2 3.33Å; K392-H518 WeakPolarHBondContact CA-NE2 3.47Å; K393-H518 PolarHBondContact O-CE1 3.05Å; K393-H518 PolarHBondContact O-NE2 3.44Å; L515-H518 HydrophobicContact CB-CB 4.24Å; L515-H518 HydrophobicContact CD2-CB 4.12Å; L515-H518 HydrophobicContact CG-CB 4.26Å; L515-H518 PolarHBondContact O-N 3.26Å; R516-H518 VanDerWaalsContact C-N 3.34Å; H518-Y520 VanDerWaalsContact C-N 3.34Å; H518-Y520 PolarHBondContact CE1-O 3.49Å; H518-Y520 PolarHBondContact ND1-N 3.36Å; H518-Y520 PolarHBondContact ND1-O 3.19Å; H518-Y520 PolarHBondContact O-N 2.87Å; H518-Y521 AromaticContact CE1-CD2 3.97Å; H518-Y521 WeakPolarHBondContact ND1-CB 3.38Å; H518-Y521 AromaticContact NE2-CD2 3.86Å
519P96Very high97.3Very high75 Ų7521.7 Ų21.749%0.48712%0.119SC..SBendtrans-55.1-45.7-178.3-27.634.4000113.8K392K392-P519 HydrophobicContact CB-CG 4.38Å
520Y98.3Very high97.3Very high2 Ų220.8 Ų20.81%0.00812%0.115CC..SBendtrans-158.6109.5170.7-170.5-96.4000108.7P394 F395 V464 L468 H518 V522 P540 L544 A547 L552P394-Y520 CarbonylContact C-O 3.55Å; P394-Y520 VanDerWaalsContact CA-O 3.3Å; P394-Y520 WeakPolarHBondContact CA-O 3.44Å; F395-Y520 PolarHBondContact N-O 3.38Å; F395-Y520 VanDerWaalsContact O-CD1 3.3Å; F395-Y520 WeakPolarHBondContact O-CD1 3.37Å; F395-Y520 WeakPolarHBondContact O-CE1 3.32Å; V464-Y520 HydrophobicContact CG1-CD2 4.25Å; V464-Y520 HydrophobicContact CG1-CE2 4.09Å; V464-Y520 HydrophobicContact CG2-CD2 4.25Å; V464-Y520 HydrophobicContact CG2-CE2 4.18Å; L468-Y520 HydrophobicContact CD1-CE2 3.99Å; H518-Y520 VanDerWaalsContact C-N 3.34Å; H518-Y520 PolarHBondContact CE1-O 3.49Å; H518-Y520 PolarHBondContact ND1-N 3.36Å; H518-Y520 PolarHBondContact ND1-O 3.19Å; H518-Y520 PolarHBondContact O-N 2.87Å; Y520-V522 HydrophobicContact CD1-CG2 4.25Å; Y520-V522 HydrophobicContact CD2-CG2 4.09Å; Y520-V522 HydrophobicContact CE1-CB 3.86Å; Y520-V522 HydrophobicContact CE1-CG2 3.78Å; Y520-V522 HydrophobicContact CE2-CG2 3.61Å; Y520-V522 HydrophobicContact CG-CG2 4.39Å; Y520-V522 VanDerWaalsContact CZ-CG2 3.42Å; Y520-P540 WeakPolarHBondContact OH-CA 3.49Å; Y520-P540 PolarHBondContact OH-O 2.81Å; Y520-L544 HydrophobicContact CD1-CB 4.36Å; Y520-L544 HydrophobicContact CD1-CD1 4.16Å; Y520-L544 HydrophobicContact CE1-CB 3.98Å; Y520-L544 HydrophobicContact CE1-CD1 4.4Å; Y520-A547 HydrophobicContact CD2-CB 4.47Å; Y520-A547 HydrophobicContact CG-CB 3.96Å; Y520-L552 HydrophobicContact CD2-CD2 3.57Å; Y520-L552 HydrophobicContact CE2-CD2 4.39Å; Y520-L552 HydrophobicContact CG-CD2 4.3Å
521Y98.5Very high97.3Very high5 Ų522.7 Ų22.72%0.0213%0.125CC..EExtended strand (participates in β ladder)trans-13793.9174.1-163.9-78.3000107.1C385 A388 R389 F395 A405 F498 E514 L515 H518C385-Y521 PolarHBondContact O-OH 3.09Å; C385-Y521 VanDerWaalsContact O-OH 3.04Å; A388-Y521 HydrophobicContact CB-CE2 4.28Å; R389-Y521 HydrophobicContact CB-CD2 4.35Å; R389-Y521 HydrophobicContact CB-CE2 3.72Å; F395-Y521 HydrophobicContact CB-CD2 3.61Å; F395-Y521 HydrophobicContact CB-CE2 3.92Å; F395-Y521 HydrophobicContact CB-CG 4.14Å; F395-Y521 AromaticContact CD1-CD1 3.79Å; F395-Y521 HydrophobicContact CD1-CD1 3.79Å; F395-Y521 AromaticContact CD1-CD2 3.84Å; F395-Y521 HydrophobicContact CD1-CD2 3.84Å; F395-Y521 AromaticContact CD1-CE1 3.65Å; F395-Y521 HydrophobicContact CD1-CE1 3.65Å; F395-Y521 AromaticContact CD1-CE2 3.71Å; F395-Y521 HydrophobicContact CD1-CE2 3.71Å; F395-Y521 AromaticContact CD1-CG 3.88Å; F395-Y521 HydrophobicContact CD1-CG 3.88Å; F395-Y521 AromaticContact CD1-CZ 3.62Å; F395-Y521 HydrophobicContact CE1-CD1 4.35Å; F395-Y521 AromaticContact CE1-CE1 3.85Å; F395-Y521 HydrophobicContact CE1-CE1 3.85Å; F395-Y521 HydrophobicContact CE1-CE2 4.38Å; F395-Y521 AromaticContact CE1-CZ 3.87Å; F395-Y521 AromaticContact CG-CD2 3.92Å; F395-Y521 HydrophobicContact CG-CD2 3.92Å; F395-Y521 AromaticContact CG-CE2 3.78Å; F395-Y521 HydrophobicContact CG-CE2 3.78Å; F395-Y521 HydrophobicContact CG-CG 4.36Å; A405-Y521 HydrophobicContact CB-CE1 3.93Å; F498-Y521 HydrophobicContact CE2-CE1 4.07Å; E514-Y521 WeakPolarHBondContact CA-O 3.47Å; L515-Y521 HydrophobicContact CB-CD1 3.97Å; L515-Y521 HydrophobicContact CB-CG 4.03Å; L515-Y521 HydrophobicContact CD2-CG 4.32Å; L515-Y521 PolarHBondContact N-O 2.85Å; H518-Y521 AromaticContact CE1-CD2 3.97Å; H518-Y521 WeakPolarHBondContact ND1-CB 3.38Å; H518-Y521 AromaticContact NE2-CD2 3.86Å
522V98.5Very high97.3Very high0 Ų022.8 Ų22.80%013%0.126CC..EExtended strand (participates in β ladder)trans-117.1133.4-173.4172.90000108.6F395 L396 G397 V464 V465 C513 E514 Y520 V524F395-V522 PolarHBondContact O-N 2.95Å; L396-V522 CarbonylContact C-O 3.38Å; L396-V522 VanDerWaalsContact CA-O 3.31Å; L396-V522 WeakPolarHBondContact CA-O 3.35Å; L396-V522 HydrophobicContact CD1-CB 4.2Å; L396-V522 HydrophobicContact CD1-CG1 3.96Å; G397-V522 PolarHBondContact N-O 2.58Å; V464-V522 HydrophobicContact CG1-CG2 3.86Å; V465-V522 HydrophobicContact CG2-CB 4.26Å; V465-V522 HydrophobicContact CG2-CG1 3.46Å; V465-V522 VanDerWaalsContact CG2-CG1 3.46Å; V465-V522 HydrophobicContact CG2-CG2 3.72Å; C513-V522 WeakPolarHBondContact O-CA 3.41Å; E514-V522 HydrophobicContact CG-CG2 4.37Å; Y520-V522 HydrophobicContact CD1-CG2 4.25Å; Y520-V522 HydrophobicContact CD2-CG2 4.09Å; Y520-V522 HydrophobicContact CE1-CB 3.86Å; Y520-V522 HydrophobicContact CE1-CG2 3.78Å; Y520-V522 HydrophobicContact CE2-CG2 3.61Å; Y520-V522 HydrophobicContact CG-CG2 4.39Å; Y520-V522 VanDerWaalsContact CZ-CG2 3.42Å; V522-V524 HydrophobicContact CG1-CG1 3.99Å
523G98.5Very high97.1Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-117.9137.3164.700000109.3G397 V512 C513G397-G523 CarbonylContact O-C 3.52Å; G397-G523 WeakPolarHBondContact O-CA 3.42Å; V512-G523 CarbonylContact C-O 3.57Å; V512-G523 WeakPolarHBondContact CA-O 3.02Å; C513-G523 PolarHBondContact N-O 3.48Å; C513-G523 PolarHBondContact O-N 3Å; C513-G523 VanDerWaalsContact SG-CA 3.5Å
524V98.6Very high96.8Very high0 Ų024.5 Ų24.50%014%0.137CC..EExtended strand (participates in β ladder)trans-128.6140.7174.2-63.50000110.1L396 G397 I398 C399 M402 E511 V512 V522 F526 P528L396-V524 HydrophobicContact CD1-CG2 4.43Å; G397-V524 PolarHBondContact O-N 2.94Å; I398-V524 CarbonylContact C-O 3.57Å; I398-V524 HydrophobicContact CG1-CG2 4.39Å; C399-V524 PolarHBondContact N-O 2.85Å; M402-V524 VanDerWaalsContact SD-C 3.55Å; E511-V524 CarbonylContact O-C 3.56Å; E511-V524 VanDerWaalsContact O-CA 3.32Å; E511-V524 WeakPolarHBondContact O-CA 3.46Å; V512-V524 HydrophobicContact CG1-CG1 4.22Å; V512-V524 HydrophobicContact CG2-CG1 4.26Å; V522-V524 HydrophobicContact CG1-CG1 3.99Å; V524-F526 HydrophobicContact CB-CD1 4.23Å; V524-F526 HydrophobicContact CB-CD2 4.19Å; V524-F526 HydrophobicContact CB-CE1 3.93Å; V524-F526 HydrophobicContact CB-CE2 3.88Å; V524-F526 HydrophobicContact CB-CG 4.35Å; V524-F526 HydrophobicContact CB-CZ 3.74Å; V524-F526 HydrophobicContact CG1-CE1 3.98Å; V524-F526 HydrophobicContact CG1-CE2 3.94Å; V524-F526 HydrophobicContact CG1-CZ 3.51Å; V524-F526 HydrophobicContact CG2-CD2 4.26Å; V524-F526 HydrophobicContact CG2-CE2 4.08Å; V524-F526 HydrophobicContact CG2-CZ 4.44Å; V524-P528 HydrophobicContact CG2-CG 3.87Å
525Q98Very high96.5Very high0 Ų026.7 Ų26.70%015%0.149CC..SBendtrans-82.5-31.3175.4-88.4-72.248.600112.6M402 H481 Y483 E484 M510 E511M402-Q525 HydrophobicContact CE-CG 4.26Å; M402-Q525 HydrophobicContact SD-CB 4.34Å; M402-Q525 HydrophobicContact SD-CG 3.75Å; H481-Q525 PolarHBondContact CD2-O 2.81Å; Y483-Q525 PolarHBondContact O-NE2 3.04Å; E484-Q525 PolarHBondContact OE2-NE2 3.47Å; M510-Q525 WeakPolarHBondContact O-CG 3.37Å; E511-Q525 PolarHBondContact O-N 3.25Å; E511-Q525 WeakPolarHBondContact OE2-CB 3.36Å
526F98.3Very high96.3Very high0 Ų027.5 Ų27.50%016%0.159CC..SBendtrans-71.1170.2172.252.7-96.2000111.7I475 E477 R478 V512 V524 P528 P540I475-F526 HydrophobicContact CD1-CE1 3.92Å; I475-F526 HydrophobicContact CD1-CZ 3.8Å; E477-F526 HydrophobicContact CB-CB 3.55Å; E477-F526 HydrophobicContact CB-CD1 4.01Å; E477-F526 HydrophobicContact CB-CD2 3.5Å; E477-F526 VanDerWaalsContact CB-CD2 3.5Å; E477-F526 HydrophobicContact CB-CE2 4.15Å; E477-F526 HydrophobicContact CB-CG 3.42Å; E477-F526 VanDerWaalsContact CB-CG 3.42Å; E477-F526 HydrophobicContact CG-CD1 4.3Å; E477-F526 HydrophobicContact CG-CD2 3.55Å; E477-F526 HydrophobicContact CG-CE1 4.39Å; E477-F526 HydrophobicContact CG-CE2 3.67Å; E477-F526 HydrophobicContact CG-CG 3.9Å; E477-F526 HydrophobicContact CG-CZ 4.1Å; R478-F526 WeakPolarHBondContact O-CA 3.41Å; R478-F526 WeakPolarHBondContact O-CB 3.41Å; V512-F526 HydrophobicContact CG2-CE1 3.65Å; V512-F526 HydrophobicContact CG2-CZ 4.19Å; V524-F526 HydrophobicContact CB-CD1 4.23Å; V524-F526 HydrophobicContact CB-CD2 4.19Å; V524-F526 HydrophobicContact CB-CE1 3.93Å; V524-F526 HydrophobicContact CB-CE2 3.88Å; V524-F526 HydrophobicContact CB-CG 4.35Å; V524-F526 HydrophobicContact CB-CZ 3.74Å; V524-F526 HydrophobicContact CG1-CE1 3.98Å; V524-F526 HydrophobicContact CG1-CE2 3.94Å; V524-F526 HydrophobicContact CG1-CZ 3.51Å; V524-F526 HydrophobicContact CG2-CD2 4.26Å; V524-F526 HydrophobicContact CG2-CE2 4.08Å; V524-F526 HydrophobicContact CG2-CZ 4.44Å; F526-P528 HydrophobicContact CD2-CB 4.18Å; F526-P528 HydrophobicContact CD2-CG 4.32Å; F526-P528 HydrophobicContact CE2-CB 4Å; F526-P528 HydrophobicContact CE2-CG 4.27Å; F526-P528 WeakPolarHBondContact O-CD 3.48Å; F526-P540 HydrophobicContact CE2-CG 4.41Å
527H98.1Very high96.3Very high13 Ų1319.2 Ų19.26%0.0613%0.128CC..  trans-103.486.8176.4-75.2-97.2000110.4C399 R478 E529 Y530C399-H527 WeakPolarHBondContact CB-NE2 3.21Å; R478-H527 PolarHBondContact O-N 3.18Å; H527-E529 WeakPolarHBondContact CA-OE2 3.33Å; H527-E529 HydrophobicContact CB-CG 4.46Å; H527-E529 IonicContact CE1-OE1 3.76Å; H527-E529 IonicContact CG-OE1 3.88Å; H527-E529 IonicContact ND1-OE1 2.91Å; H527-E529 PolarHBondContact ND1-OE1 3.35Å; H527-E529 IonicContact ND1-OE2 3.83Å; H527-E529 PolarHBondContact O-N 3.24Å; H527-E529 VanDerWaalsContact O-N 3.08Å; H527-Y530 HydrophobicContact CB-CD2 3.31Å; H527-Y530 HydrophobicContact CB-CE2 3.26Å; H527-Y530 HydrophobicContact CB-CG 4.24Å; H527-Y530 AromaticContact CG-CE2 3.56Å; H527-Y530 PolarHBondContact O-N 3.16Å
528P97.9Very high96.5Very high0 Ų016 Ų160%010%0.095CC..THydrogen-bonded Turntrans-61.4-14.8-179.220.9-29.8000114.5I398 V524 F526 S538 P540 Y541I398-P528 HydrophobicContact CD1-CG 4.3Å; I398-P528 HydrophobicContact CG1-CG 4.34Å; V524-P528 HydrophobicContact CG2-CG 3.87Å; F526-P528 HydrophobicContact CD2-CB 4.18Å; F526-P528 HydrophobicContact CD2-CG 4.32Å; F526-P528 HydrophobicContact CE2-CB 4Å; F526-P528 HydrophobicContact CE2-CG 4.27Å; F526-P528 WeakPolarHBondContact O-CD 3.48Å; P528-S538 VanDerWaalsContact CB-OG 3.23Å; P528-S538 WeakPolarHBondContact CB-OG 3.33Å; P528-S538 WeakPolarHBondContact O-CB 3.5Å; P528-S538 PolarHBondContact O-OG 3.14Å; P528-P540 HydrophobicContact CB-CB 4.41Å; P528-P540 HydrophobicContact CB-CG 4.09Å; P528-P540 HydrophobicContact CG-CB 4.43Å; P528-P540 HydrophobicContact CG-CG 4.46Å; P528-Y541 HydrophobicContact CB-CD2 4.18Å; P528-Y541 HydrophobicContact CB-CE2 3.99Å; P528-Y541 HydrophobicContact CG-CD2 4.24Å; P528-Y541 HydrophobicContact CG-CE2 3.74Å
529E97.4Very high96.6Very high3 Ų315.3 Ų15.31%0.0149%0.093CC..THydrogen-bonded Turntrans-71-28-179.860.4-88.2-146.300113.8V317 A320 H527 S532 Y541V317-E529 HydrophobicContact CG2-CG 4.26Å; A320-E529 HydrophobicContact CB-CB 4Å; H527-E529 WeakPolarHBondContact CA-OE2 3.33Å; H527-E529 HydrophobicContact CB-CG 4.46Å; H527-E529 IonicContact CE1-OE1 3.76Å; H527-E529 IonicContact CG-OE1 3.88Å; H527-E529 IonicContact ND1-OE1 2.91Å; H527-E529 PolarHBondContact ND1-OE1 3.35Å; H527-E529 IonicContact ND1-OE2 3.83Å; H527-E529 PolarHBondContact O-N 3.24Å; H527-E529 VanDerWaalsContact O-N 3.08Å; E529-S532 PolarHBondContact O-N 2.9Å; E529-Y541 HydrophobicContact CB-CE2 4.09Å
530Y96.6Very high96.7Very high8 Ų811.8 Ų11.83%0.0317%0.07CC..THydrogen-bonded Turntrans-72.9-35-175.5-64.1-42000112.4E57 V58 F59 V60 R478 H527E57-Y530 VanDerWaalsContact OE1-CE1 3.31Å; E57-Y530 WeakPolarHBondContact OE1-CE1 3.3Å; V58-Y530 PolarHBondContact O-OH 3.17Å; F59-Y530 AromaticContact CD2-CD1 3.48Å; F59-Y530 HydrophobicContact CD2-CD1 3.48Å; F59-Y530 VanDerWaalsContact CD2-CD1 3.48Å; F59-Y530 AromaticContact CD2-CE1 3.93Å; F59-Y530 HydrophobicContact CD2-CE1 3.93Å; F59-Y530 HydrophobicContact CD2-CG 4.47Å; F59-Y530 AromaticContact CE2-CD1 3.58Å; F59-Y530 HydrophobicContact CE2-CD1 3.58Å; F59-Y530 HydrophobicContact CE2-CE1 4.46Å; F59-Y530 HydrophobicContact CE2-CG 4.27Å; F59-Y530 HydrophobicContact CG-CD1 4.23Å; F59-Y530 HydrophobicContact CG-CE1 4.47Å; F59-Y530 HydrophobicContact CZ-CD1 4.39Å; V60-Y530 HydrophobicContact CB-CD2 3.99Å; V60-Y530 HydrophobicContact CB-CE2 3.71Å; V60-Y530 HydrophobicContact CG2-CE2 3.77Å; R478-Y530 HydrophobicContact CB-CD2 3.92Å; H527-Y530 HydrophobicContact CB-CD2 3.31Å; H527-Y530 HydrophobicContact CB-CE2 3.26Å; H527-Y530 HydrophobicContact CB-CG 4.24Å; H527-Y530 AromaticContact CG-CE2 3.56Å; H527-Y530 PolarHBondContact O-N 3.16Å
531L96.2Very high96.7Very high46 Ų4611.7 Ų11.724%0.2417%0.069CC..THydrogen-bonded Turntrans-91.20.5178.6-60.2-171.4000113.6L452 E477 R478 T533L452-L531 HydrophobicContact CD1-CD1 4.33Å; E477-L531 WeakPolarHBondContact OE2-CD1 3.28Å; R478-L531 HydrophobicContact CG-CD2 4.32Å; R478-L531 HydrophobicContact CG-CG 4.5Å; L531-T533 PolarHBondContact O-N 3.17Å
532S96.8Very high96.7Very high1 Ų111.4 Ų11.41%0.0077%0.068CC..  trans-75123.9178.3-1690000111.3R76 H323 E529 S538R76-S532 WeakPolarHBondContact CG-O 3.4Å; H323-S532 PolarHBondContact CE1-O 3.49Å; H323-S532 PolarHBondContact ND1-O 3.21Å; H323-S532 PolarHBondContact ND1-OG 3.22Å; H323-S532 VanDerWaalsContact ND1-OG 3.07Å; E529-S532 PolarHBondContact O-N 2.9Å; S532-S538 PolarHBondContact OG-N 3.12Å
533T94.9Very high96.7Very high28 Ų2811.4 Ų11.417%0.1727%0.068CC..  trans-119.9161.3171.978.30000111.1H323 L531 L535 A536 P537H323-T533 VanDerWaalsContact ND1-C 3.29Å; H323-T533 PolarHBondContact ND1-O 3.04Å; L531-T533 PolarHBondContact O-N 3.17Å; T533-L535 PolarHBondContact O-N 3.25Å; T533-A536 PolarHBondContact N-O 3.15Å; T533-A536 VanDerWaalsContact N-O 3.1Å; T533-A536 CarbonylContact O-C 3.49Å; T533-A536 PolarHBondContact O-N 3.35Å; T533-A536 PolarHBondContact OG1-N 2.98Å; T533-P537 WeakPolarHBondContact O-CA 3.4Å
534P91.5Very high96.7Very high10 Ų1011.4 Ų11.47%0.0657%0.068CC..SBendtrans-61.3-27.3178.1-20.730.4000113.8R76 F251 L288R76-P534 WeakPolarHBondContact O-CD 3.16Å; F251-P534 HydrophobicContact CE1-CB 3.93Å; F251-P534 HydrophobicContact CE1-CG 3.6Å; F251-P534 HydrophobicContact CZ-CB 4.04Å; F251-P534 HydrophobicContact CZ-CG 4.02Å; L288-P534 HydrophobicContact CD1-CB 3.95Å; L288-P534 HydrophobicContact CD2-CB 3.48Å; L288-P534 VanDerWaalsContact CD2-CB 3.48Å; L288-P534 HydrophobicContact CD2-CG 4.32Å; L288-P534 HydrophobicContact CG-CB 4.34Å
535L90Very high96.7Very high69 Ų6911.5 Ų11.536%0.3617%0.068SC..SBendtrans-94-20.6179.4-60.6178.5000113D284 T533 I570D284-L535 HydrophobicContact CB-CD1 4.43Å; D284-L535 HydrophobicContact CB-CD2 4.01Å; T533-L535 PolarHBondContact O-N 3.25Å; L535-I570 HydrophobicContact CD2-CD1 3.94Å
536A92.2Very high96.7Very high43 Ų4311.9 Ų11.936%0.3557%0.071SC..SBendtrans-135.477.5177.200000109T533T533-A536 PolarHBondContact N-O 3.15Å; T533-A536 VanDerWaalsContact N-O 3.1Å; T533-A536 CarbonylContact O-C 3.49Å; T533-A536 PolarHBondContact O-N 3.35Å; T533-A536 PolarHBondContact OG1-N 2.98Å
537P96.4Very high96.7Very high5 Ų512.4 Ų12.43%0.0328%0.075CC..  trans-64.6148-178.630-38.9000110.9H323 A327 T533 V542H323-P537 HydrophobicContact CB-CB 3.95Å; A327-P537 HydrophobicContact CB-CB 4.39Å; A327-P537 HydrophobicContact CB-CG 3.69Å; T533-P537 WeakPolarHBondContact O-CA 3.4Å; P537-V542 HydrophobicContact CB-CG2 3.79Å; P537-V542 HydrophobicContact CG-CG2 3.74Å
538S97.7Very high96.7Very high4 Ų412.5 Ų12.53%0.0288%0.078CC..  trans-64.4129.8-177.81780000112.9P528 S532 Y541 V542P528-S538 VanDerWaalsContact CB-OG 3.23Å; P528-S538 WeakPolarHBondContact CB-OG 3.33Å; P528-S538 WeakPolarHBondContact O-CB 3.5Å; P528-S538 PolarHBondContact O-OG 3.14Å; S532-S538 PolarHBondContact OG-N 3.12Å; S538-Y541 WeakPolarHBondContact O-CB 3.46Å; S538-Y541 PolarHBondContact O-N 2.72Å; S538-Y541 VanDerWaalsContact O-N 3.15Å; S538-V542 WeakPolarHBondContact O-CG2 3.49Å; S538-V542 PolarHBondContact O-N 3.28Å
539P97.6Very high96.6Very high10 Ų1013.9 Ų13.97%0.0659%0.086CC..Hα-helixtrans-62.2-42.4-172.4-17.526.8000115L468 Y469 Y541 V542 G543 V565L468-P539 HydrophobicContact CB-CB 3.83Å; Y469-P539 HydrophobicContact CD1-CB 4.39Å; Y469-P539 HydrophobicContact CD1-CG 3.65Å; Y469-P539 HydrophobicContact CD2-CB 4.08Å; Y469-P539 HydrophobicContact CD2-CG 4.21Å; Y469-P539 HydrophobicContact CE1-CB 4.37Å; Y469-P539 HydrophobicContact CE1-CG 3.53Å; Y469-P539 HydrophobicContact CE2-CB 4.02Å; Y469-P539 HydrophobicContact CE2-CG 4.06Å; Y469-P539 HydrophobicContact CG-CB 4.25Å; Y469-P539 HydrophobicContact CG-CG 3.99Å; P539-Y541 VanDerWaalsContact C-N 3.29Å; P539-Y541 PolarHBondContact O-N 2.74Å; P539-V542 PolarHBondContact O-N 3.03Å; P539-G543 PolarHBondContact O-N 3.43Å; P539-V565 HydrophobicContact CB-CG1 4.28Å; P539-V565 HydrophobicContact CG-CG1 3.64Å
540P98.2Very high96.6Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-57.4-39.4173.3-28.336.8000113.5L396 Y469 Y520 F526 P528 G543 L544L396-P540 HydrophobicContact CD1-CB 3.95Å; L396-P540 HydrophobicContact CD2-CB 4.15Å; Y469-P540 HydrophobicContact CE2-CG 4.12Å; Y520-P540 WeakPolarHBondContact OH-CA 3.49Å; Y520-P540 PolarHBondContact OH-O 2.81Å; F526-P540 HydrophobicContact CE2-CG 4.41Å; P528-P540 HydrophobicContact CB-CB 4.41Å; P528-P540 HydrophobicContact CB-CG 4.09Å; P528-P540 HydrophobicContact CG-CB 4.43Å; P528-P540 HydrophobicContact CG-CG 4.46Å; P540-G543 PolarHBondContact O-N 3.43Å; P540-L544 PolarHBondContact O-N 3.25Å
541Y98.7Very high96.5Very high0 Ų025.5 Ų25.50%014%0.141CC..Hα-helixtrans-68.4-42.1176.4-76.3-91.3000112.5V317 A320 L321 L368 L396 I398 P528 E529 S538 P539 G543 L544 V545V317-Y541 HydrophobicContact CG1-CE1 4.23Å; A320-Y541 HydrophobicContact CB-CD1 4.04Å; A320-Y541 HydrophobicContact CB-CD2 3.89Å; A320-Y541 HydrophobicContact CB-CE1 3.9Å; A320-Y541 HydrophobicContact CB-CE2 3.7Å; A320-Y541 HydrophobicContact CB-CG 4.02Å; L321-Y541 HydrophobicContact CD2-CD1 3.67Å; L321-Y541 HydrophobicContact CD2-CE1 4.03Å; L321-Y541 HydrophobicContact CG-CD1 3.75Å; L321-Y541 HydrophobicContact CG-CE1 3.75Å; L368-Y541 HydrophobicContact CD1-CD1 4.14Å; L368-Y541 HydrophobicContact CD1-CE1 3.42Å; L368-Y541 VanDerWaalsContact CD1-CE1 3.42Å; L396-Y541 HydrophobicContact CD2-CD1 4.28Å; L396-Y541 HydrophobicContact CD2-CD2 4.28Å; L396-Y541 HydrophobicContact CD2-CE1 4.38Å; L396-Y541 HydrophobicContact CD2-CE2 4.41Å; L396-Y541 HydrophobicContact CD2-CG 4.24Å; I398-Y541 HydrophobicContact CD1-CE1 4.41Å; I398-Y541 HydrophobicContact CD1-CE2 4.09Å; I398-Y541 WeakPolarHBondContact CD1-OH 3.15Å; P528-Y541 HydrophobicContact CB-CD2 4.18Å; P528-Y541 HydrophobicContact CB-CE2 3.99Å; P528-Y541 HydrophobicContact CG-CD2 4.24Å; P528-Y541 HydrophobicContact CG-CE2 3.74Å; E529-Y541 HydrophobicContact CB-CE2 4.09Å; S538-Y541 WeakPolarHBondContact O-CB 3.46Å; S538-Y541 PolarHBondContact O-N 2.72Å; S538-Y541 VanDerWaalsContact O-N 3.15Å; P539-Y541 VanDerWaalsContact C-N 3.29Å; P539-Y541 PolarHBondContact O-N 2.74Å; Y541-G543 VanDerWaalsContact C-N 3.28Å; Y541-G543 PolarHBondContact O-N 2.9Å; Y541-L544 PolarHBondContact O-N 3.49Å; Y541-V545 WeakPolarHBondContact O-CG2 3.37Å; Y541-V545 PolarHBondContact O-N 2.95Å
542V98.3Very high96.5Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-59.3-42.8173.2172.40000110.5A324 P537 S538 P539 L544 V545 L546 P564 V565A324-V542 HydrophobicContact CB-CG2 3.99Å; P537-V542 HydrophobicContact CB-CG2 3.79Å; P537-V542 HydrophobicContact CG-CG2 3.74Å; S538-V542 WeakPolarHBondContact O-CG2 3.49Å; S538-V542 PolarHBondContact O-N 3.28Å; P539-V542 PolarHBondContact O-N 3.03Å; V542-L544 PolarHBondContact O-N 3.18Å; V542-V545 PolarHBondContact O-N 3.18Å; V542-L546 HydrophobicContact CG1-CD1 3.65Å; V542-L546 HydrophobicContact CG1-CG 4.12Å; V542-L546 WeakPolarHBondContact O-CB 3.43Å; V542-L546 VanDerWaalsContact O-CG 3.28Å; V542-L546 WeakPolarHBondContact O-CG 3.47Å; V542-L546 PolarHBondContact O-N 2.82Å; V542-P564 HydrophobicContact CG1-CG 4.07Å; V542-V565 HydrophobicContact CB-CG2 4.46Å; V542-V565 HydrophobicContact CG1-CG2 4.33Å; V542-V565 HydrophobicContact CG2-CG2 4.28Å
543G98.1Very high96.3Very high0 Ų026.9 Ų26.90%016%0.157CC..Hα-helixtrans-57.7-45.9175.300000113P539 P540 Y541 A547P539-G543 PolarHBondContact O-N 3.43Å; P540-G543 PolarHBondContact O-N 3.43Å; Y541-G543 VanDerWaalsContact C-N 3.28Å; Y541-G543 PolarHBondContact O-N 2.9Å; G543-A547 VanDerWaalsContact O-CB 3.28Å; G543-A547 WeakPolarHBondContact O-CB 3.41Å; G543-A547 PolarHBondContact O-N 3.34Å
544L98.7Very high96Very high0 Ų026.7 Ų26.70%016%0.161CC..Hα-helixtrans-60.3-48.8176.8179.666.5000111.7I301 L321 L368 P394 L396 Y520 P540 Y541 V542 A547 A548I301-L544 HydrophobicContact CD1-CG 4.42Å; I301-L544 HydrophobicContact CG2-CD2 3.99Å; L321-L544 HydrophobicContact CD2-CD2 4.21Å; L368-L544 HydrophobicContact CB-CD2 4.29Å; L368-L544 HydrophobicContact CD1-CD2 4.23Å; P394-L544 HydrophobicContact CB-CD1 3.89Å; L396-L544 HydrophobicContact CB-CB 4.47Å; L396-L544 HydrophobicContact CB-CD1 4.31Å; L396-L544 HydrophobicContact CB-CD2 3.95Å; L396-L544 HydrophobicContact CB-CG 4.48Å; Y520-L544 HydrophobicContact CD1-CB 4.36Å; Y520-L544 HydrophobicContact CD1-CD1 4.16Å; Y520-L544 HydrophobicContact CE1-CB 3.98Å; Y520-L544 HydrophobicContact CE1-CD1 4.4Å; P540-L544 PolarHBondContact O-N 3.25Å; Y541-L544 PolarHBondContact O-N 3.49Å; V542-L544 PolarHBondContact O-N 3.18Å; L544-A547 PolarHBondContact O-N 2.86Å; L544-A548 WeakPolarHBondContact O-CB 3.24Å; L544-A548 PolarHBondContact O-N 3.02Å
545V98.5Very high95.9Very high1 Ų126.4 Ų26.41%0.00616%0.159CC..Hα-helixtrans-64.7-48.3-179.2173.40000111V299 A324 C328 Y541 V542 A547 A548 V549V299-V545 HydrophobicContact CG1-CG1 4.25Å; A324-V545 HydrophobicContact CB-CG2 3.96Å; C328-V545 HydrophobicContact CB-CG1 3.77Å; Y541-V545 WeakPolarHBondContact O-CG2 3.37Å; Y541-V545 PolarHBondContact O-N 2.95Å; V542-V545 PolarHBondContact O-N 3.18Å; V545-A547 PolarHBondContact O-N 3.07Å; V545-A548 WeakPolarHBondContact O-CB 3.42Å; V545-A548 PolarHBondContact O-N 2.73Å; V545-A548 VanDerWaalsContact O-N 3.1Å; V545-V549 WeakPolarHBondContact O-CG2 3.47Å; V545-V549 PolarHBondContact O-N 2.99Å
546L98.1Very high95.8Very high9 Ų925.4 Ų25.45%0.04715%0.154CC..Hα-helixtrans-59.7-35177.9-73.3174.1000112C328 V542 E550 E551 L552 A555 L563C328-L546 HydrophobicContact CB-CD2 4.43Å; V542-L546 HydrophobicContact CG1-CD1 3.65Å; V542-L546 HydrophobicContact CG1-CG 4.12Å; V542-L546 WeakPolarHBondContact O-CB 3.43Å; V542-L546 VanDerWaalsContact O-CG 3.28Å; V542-L546 WeakPolarHBondContact O-CG 3.47Å; V542-L546 PolarHBondContact O-N 2.82Å; L546-E550 PolarHBondContact O-N 3.06Å; L546-E551 HydrophobicContact CD2-CB 4.14Å; L546-E551 PolarHBondContact O-N 3.1Å; L546-L552 HydrophobicContact CB-CB 3.94Å; L546-L552 HydrophobicContact CB-CD1 4.15Å; L546-L552 HydrophobicContact CD1-CD1 4.35Å; L546-L552 PolarHBondContact O-N 3.1Å; L546-A555 HydrophobicContact CD1-CB 3.77Å; L546-L563 HydrophobicContact CD1-CD2 4.38Å
547A98.1Very high95.3Very high10 Ų1031.2 Ų31.28%0.08317%0.171CC..Hα-helixtrans-71.5-40.3175.600000112P394 Y520 G543 L544 V545 V549 E550 L552P394-A547 HydrophobicContact CB-CB 3.77Å; P394-A547 HydrophobicContact CG-CB 3.74Å; Y520-A547 HydrophobicContact CD2-CB 4.47Å; Y520-A547 HydrophobicContact CG-CB 3.96Å; G543-A547 VanDerWaalsContact O-CB 3.28Å; G543-A547 WeakPolarHBondContact O-CB 3.41Å; G543-A547 PolarHBondContact O-N 3.34Å; L544-A547 PolarHBondContact O-N 2.86Å; V545-A547 PolarHBondContact O-N 3.07Å; A547-V549 PolarHBondContact O-N 2.8Å; A547-E550 PolarHBondContact O-N 3.22Å; A547-E550 VanDerWaalsContact O-N 3.1Å; A547-L552 HydrophobicContact CB-CB 4.25Å; A547-L552 HydrophobicContact CB-CD2 3.89Å
548A98.1Very high94Very high15 Ų1533.6 Ų33.612%0.12420%0.197CC..Hα-helixtrans-61.7-30.4177.300000112.6V299 I301 D365 L544 V545V299-A548 HydrophobicContact CG2-CB 3.79Å; I301-A548 HydrophobicContact CD1-CB 3.87Å; D365-A548 HydrophobicContact CB-CB 3.83Å; L544-A548 WeakPolarHBondContact O-CB 3.24Å; L544-A548 PolarHBondContact O-N 3.02Å; V545-A548 WeakPolarHBondContact O-CB 3.42Å; V545-A548 PolarHBondContact O-N 2.73Å; V545-A548 VanDerWaalsContact O-N 3.1Å
549V97.1Very high91.5Very high29 Ų2938.8 Ų38.818%0.17623%0.228CC..THydrogen-bonded Turntrans-100.513175.4-54.60000114V299 R330 V545 A547 E551V299-V549 HydrophobicContact CB-CG1 4.16Å; V299-V549 HydrophobicContact CG2-CG1 3.93Å; R330-V549 HydrophobicContact CG-CG1 4.12Å; V545-V549 WeakPolarHBondContact O-CG2 3.47Å; V545-V549 PolarHBondContact O-N 2.99Å; A547-V549 PolarHBondContact O-N 2.8Å; V549-E551 HydrophobicContact CG2-CB 4.03Å; V549-E551 HydrophobicContact CG2-CG 3.96Å; V549-E551 PolarHBondContact O-N 3.19Å
550E96.2Very high89Confident181 Ų18139.8 Ų39.885%0.84624%0.237SC*.THydrogen-bonded Turntrans59.821.6178.3-53.6-174.6169.600115.7L546 A547L546-E550 PolarHBondContact O-N 3.06Å; A547-E550 PolarHBondContact O-N 3.22Å; A547-E550 VanDerWaalsContact O-N 3.1Å
551E95.9Very high86.2Confident75 Ų7541.2 Ų41.235%0.3525%0.252SS..  trans-100-10.3-179.1-69.1-178.2-171.200113.7R330 L546 V549 A553 G554 A555R330-E551 IonicContact CZ-OE1 2.74Å; R330-E551 IonicContact NH2-OE1 3.18Å; R330-E551 PolarHBondContact NH2-OE1 2.93Å; L546-E551 HydrophobicContact CD2-CB 4.14Å; L546-E551 PolarHBondContact O-N 3.1Å; V549-E551 HydrophobicContact CG2-CB 4.03Å; V549-E551 HydrophobicContact CG2-CG 3.96Å; V549-E551 PolarHBondContact O-N 3.19Å; E551-A553 PolarHBondContact O-N 2.85Å; E551-G554 PolarHBondContact O-N 2.97Å; E551-G554 VanDerWaalsContact O-N 3.07Å; E551-A555 PolarHBondContact O-N 3.45Å
552L95.3Very high83.5Confident11 Ų1143.6 Ų43.66%0.05827%0.269CS..Hα-helixtrans-54.9-45.9-175.5179.163.1000113.4V464 L468 Y520 L546 A547 G554 A555 L556V464-L552 HydrophobicContact CG2-CD1 4.4Å; V464-L552 HydrophobicContact CG2-CD2 4.13Å; L468-L552 HydrophobicContact CD2-CD1 4.15Å; Y520-L552 HydrophobicContact CD2-CD2 3.57Å; Y520-L552 HydrophobicContact CE2-CD2 4.39Å; Y520-L552 HydrophobicContact CG-CD2 4.3Å; L546-L552 HydrophobicContact CB-CB 3.94Å; L546-L552 HydrophobicContact CB-CD1 4.15Å; L546-L552 HydrophobicContact CD1-CD1 4.35Å; L546-L552 PolarHBondContact O-N 3.1Å; A547-L552 HydrophobicContact CB-CB 4.25Å; A547-L552 HydrophobicContact CB-CD2 3.89Å; L552-G554 VanDerWaalsContact C-N 3.26Å; L552-G554 PolarHBondContact O-N 2.88Å; L552-A555 PolarHBondContact O-N 3.46Å; L552-L556 HydrophobicContact CD1-CD1 3.95Å; L552-L556 HydrophobicContact CD1-CD2 4.28Å; L552-L556 HydrophobicContact CD1-CG 3.9Å; L552-L556 HydrophobicContact CG-CD1 3.89Å; L552-L556 HydrophobicContact CG-CG 4.26Å; L552-L556 VanDerWaalsContact O-CG 3.29Å; L552-L556 WeakPolarHBondContact O-CG 3.21Å; L552-L556 PolarHBondContact O-N 3.12Å
553A91.7Very high81.2Confident65 Ų6545.4 Ų45.454%0.53728%0.279SS..Hα-helixtrans-62.7-34.5-17900000112.5E551 K557E551-A553 PolarHBondContact O-N 2.85Å; A553-K557 WeakPolarHBondContact O-CG 3.36Å; A553-K557 PolarHBondContact O-N 3.43Å
554G89.5Confident78.8Confident23 Ų2347.1 Ų47.124%0.23729%0.29CS..Hα-helixtrans-73.3-3817600000112.6E551 L552 K557 G558 T559 A560E551-G554 PolarHBondContact O-N 2.97Å; E551-G554 VanDerWaalsContact O-N 3.07Å; L552-G554 VanDerWaalsContact C-N 3.26Å; L552-G554 PolarHBondContact O-N 2.88Å; G554-K557 PolarHBondContact O-N 3.47Å; G554-G558 PolarHBondContact O-N 3Å; G554-T559 PolarHBondContact O-N 3.46Å; G554-T559 VanDerWaalsContact O-N 3.1Å; G554-T559 PolarHBondContact O-OG1 3.29Å; G554-A560 PolarHBondContact O-N 3.07Å; G554-A560 VanDerWaalsContact O-N 3.15Å
555A89.1Confident76.2Confident5 Ų548.3 Ų48.34%0.04130%0.297CS..Hα-helixtrans-65.8-44176.400000112L546 E551 L552 K557 G558 L563L546-A555 HydrophobicContact CD1-CB 3.77Å; E551-A555 PolarHBondContact O-N 3.45Å; L552-A555 PolarHBondContact O-N 3.46Å; A555-K557 VanDerWaalsContact C-N 3.25Å; A555-K557 PolarHBondContact O-N 2.94Å; A555-G558 PolarHBondContact O-N 3.31Å; A555-G558 VanDerWaalsContact O-N 3.12Å; A555-L563 HydrophobicContact CB-CD2 3.86Å
556L87.8Confident73.2Confident48 Ų4857 Ų5725%0.25133%0.329SS..Hα-helixtrans-67.5-22.4178.9-65.6173.9000113.9V464 K467 L468 L552V464-L556 HydrophobicContact CG2-CD1 3.74Å; V464-L556 HydrophobicContact CG2-CD2 4.34Å; K467-L556 HydrophobicContact CB-CD2 3.69Å; K467-L556 HydrophobicContact CD-CD2 4.25Å; L468-L556 HydrophobicContact CD2-CD2 4.21Å; L468-L556 HydrophobicContact CG-CD2 4.3Å; L552-L556 HydrophobicContact CD1-CD1 3.95Å; L552-L556 HydrophobicContact CD1-CD2 4.28Å; L552-L556 HydrophobicContact CD1-CG 3.9Å; L552-L556 HydrophobicContact CG-CD1 3.89Å; L552-L556 HydrophobicContact CG-CG 4.26Å; L552-L556 VanDerWaalsContact O-CG 3.29Å; L552-L556 WeakPolarHBondContact O-CG 3.21Å; L552-L556 PolarHBondContact O-N 3.12Å
557K82.6Confident70.2Confident165 Ų16560.7 Ų60.772%0.71737%0.369SS*.THydrogen-bonded Turntrans-87.9-5.1175.6-71176.2-177.3179.10113.2A553 G554 A555 T559A553-K557 WeakPolarHBondContact O-CG 3.36Å; A553-K557 PolarHBondContact O-N 3.43Å; G554-K557 PolarHBondContact O-N 3.47Å; A555-K557 VanDerWaalsContact C-N 3.25Å; A555-K557 PolarHBondContact O-N 2.94Å; K557-T559 HydrophobicContact CB-CG2 4.16Å; K557-T559 PolarHBondContact O-N 3.21Å
558G69.7Low66.8Low55 Ų5564 Ų6457%0.56739%0.389SS*.THydrogen-bonded Turntrans68.815.2-17300000114.1G554 A555 A560G554-G558 PolarHBondContact O-N 3Å; A555-G558 PolarHBondContact O-N 3.31Å; A555-G558 VanDerWaalsContact O-N 3.12Å; G558-A560 CarbonylContact C-O 3.27Å; G558-A560 VanDerWaalsContact C-O 3.27Å
559T44.4Very low63.5Low112 Ų11267.6 Ų67.669%0.68741%0.411SS*.  trans-90.2-27.4-179.752.40000113.1G554 K557G554-T559 PolarHBondContact O-N 3.46Å; G554-T559 VanDerWaalsContact O-N 3.1Å; G554-T559 PolarHBondContact O-OG1 3.29Å; K557-T559 HydrophobicContact CB-CG2 4.16Å; K557-T559 PolarHBondContact O-N 3.21Å
560A44Very low60.6Low31 Ų3169 Ų6926%0.25642%0.416SS..SBendtrans-81.2143.1152.700000106.1G554 G558G554-A560 PolarHBondContact O-N 3.07Å; G554-A560 VanDerWaalsContact O-N 3.15Å; G558-A560 CarbonylContact C-O 3.27Å; G558-A560 VanDerWaalsContact C-O 3.27Å
561G39.7Very low57.5Low30 Ų3066 Ų6631%0.30941%0.406SS..SBendtrans-41.7147.8-178.700000112.7L563 F573G561-L563 PolarHBondContact O-N 2.99Å; G561-F573 WeakPolarHBondContact O-CZ 3.29Å
562S42.8Very low54.3Low51 Ų5164.6 Ų64.636%0.35741%0.405SS..SBendtrans-30.2128.6-174.2570000113.2S572 F573S562-S572 PolarHBondContact OG-OG 3.15Å; S562-F573 WeakPolarHBondContact O-CE2 3.34Å
563L50.2Low51.3Low38 Ų3867.1 Ų67.120%0.19942%0.415CS..  trans-38128.6174.8-80.1162.1000109.7L468 L546 A555 G561 V565L468-L563 HydrophobicContact CD2-CD2 3.9Å; L546-L563 HydrophobicContact CD1-CD2 4.38Å; A555-L563 HydrophobicContact CB-CD2 3.86Å; G561-L563 PolarHBondContact O-N 2.99Å; L563-V565 PolarHBondContact O-N 3.1Å
564P48.4Very low48.3Very low36 Ų3669.8 Ų69.823%0.23443%0.425CS..SBendtrans-69.120.2-172.325.5-33000114.1A327 V542 F573A327-P564 HydrophobicContact CB-CB 4.25Å; A327-P564 HydrophobicContact CB-CG 4.34Å; V542-P564 HydrophobicContact CG1-CG 4.07Å; P564-F573 HydrophobicContact CB-CE2 4.43Å
565V42.8Very low45.2Very low25 Ų2577.6 Ų77.615%0.15246%0.455CS..  trans-117.7120.9-168.7-164.90000111.8P539 V542 L563P539-V565 HydrophobicContact CB-CG1 4.28Å; P539-V565 HydrophobicContact CG-CG1 3.64Å; V542-V565 HydrophobicContact CB-CG2 4.46Å; V542-V565 HydrophobicContact CG1-CG2 4.33Å; V542-V565 HydrophobicContact CG2-CG2 4.28Å; L563-V565 PolarHBondContact O-N 3.1Å
566R35.5Very low42.2Very low183 Ų18387 Ų8769%0.69150%0.495SS*.SBendtrans69106.8178.5-77.4-172.6175.7-172.4-0.2117.1V568R566-V568 PolarHBondContact O-N 3.28Å
567G34.3Very low39.2Very low86 Ų8695.6 Ų95.689%0.88752%0.524SS*.SBendtrans82.20.915400000116.9
568V27.9Very low36.6Very low80 Ų8092.8 Ų92.849%0.48553%0.532SS..SBendtrans-97.5124.7170.5-1720000107.7R566 I570R566-V568 PolarHBondContact O-N 3.28Å; V568-I570 PolarHBondContact O-N 3.18Å
569P29.2Very low34.6Very low91 Ų91100.7 Ų100.759%0.59155%0.545SS*.  trans-52.9140.9171.9-13.422.6000108.3N571P569-N571 PolarHBondContact O-N 3.47Å
570I36.5Very low33.7Very low57 Ų57100 Ų10029%0.29255%0.545SS..SBendtrans-62.317.8-173.7-68.1168.3000113.6R291 L535 V568R291-I570 PolarHBondContact NH2-O 3.1Å; L535-I570 HydrophobicContact CD2-CD1 3.94Å; V568-I570 PolarHBondContact O-N 3.18Å
571N31.3Very low33.1Very low118 Ų118104.3 Ų104.363%0.63157%0.569SS**THydrogen-bonded Turntrans-91.810.4-178.6-81.5-13.5000116.2P569P569-N571 PolarHBondContact O-N 3.47Å
572S28Very low32.7Very low46 Ų46109.1 Ų109.132%0.32259%0.593SS.*THydrogen-bonded Turntrans-90.5-0.1176.460.40000115.5S562S562-S572 PolarHBondContact OG-OG 3.15Å
573F32.4Very low32.1Very low64 Ų64110.6 Ų110.628%0.28161%0.608SS.*SBendtrans-119.152.3-176.1-75-85.9000114G561 S562 P564G561-F573 WeakPolarHBondContact O-CZ 3.29Å; S562-F573 WeakPolarHBondContact O-CE2 3.34Å; P564-F573 HydrophobicContact CB-CE2 4.43Å
574V28.8Very low31.1Very low122 Ų122120.4 Ų120.474%0.73964%0.642SS**  trans-143.873.4159.2-172.60000108.4
575Q24.8Very low30.1Very low187 Ų187124.6 Ų124.687%0.87467%0.667SS**  trans-167.6115.7155.2-109.2169.832.100110.4
576K25.8Very low29.7Very low201 Ų201128.3 Ų128.387%0.87469%0.694SS**SBendtrans112.682.1165.7-64.6177.7180177.30115.2
577R25.2Very low29.3Very low230 Ų230126.6 Ų126.687%0.86870%0.699SS**  -171.564.4127.9-100.9173.3-174.7-170.34.6109.1R579R577-R579 VanDerWaalsContact C-N 3.31Å; R577-R579 PolarHBondContact O-N 3.36Å; R577-R579 VanDerWaalsContact O-N 3.1Å
578A26.1Very low29.3Very low106 Ų106128.5 Ų128.588%0.87669%0.693SS**  trans-71.298.6152.700000106S580A578-S580 PolarHBondContact O-N 3.2Å
579R27.7Very low29.4Very low221 Ų221130.7 Ų130.783%0.83471%0.706SS**  trans-61.5118.2165.2-80.4-177.5173.4176.50.2106.6R577R577-R579 VanDerWaalsContact C-N 3.31Å; R577-R579 PolarHBondContact O-N 3.36Å; R577-R579 VanDerWaalsContact O-N 3.1Å
580S26.4Very low29.5Very low98 Ų98133.6 Ų133.669%0.68572%0.717SS**  trans-40.8129163.2165.50000109.7A578 V582A578-S580 PolarHBondContact O-N 3.2Å; S580-V582 PolarHBondContact O-N 3.2Å
581P31.6Very low29.3Very low120 Ų120134.2 Ų134.278%0.77974%0.737SS**  trans-68.4109.6171.322.4-20000107.7A583P581-A583 PolarHBondContact O-N 3.05Å
582V31.4Very low29.3Very low132 Ų132134.2 Ų134.280%0.875%0.746SS**  trans-51122.9166.1173.30000107.8S580 R584S580-V582 PolarHBondContact O-N 3.2Å; V582-R584 PolarHBondContact O-N 3.17Å; V582-R584 VanDerWaalsContact O-N 3.17Å
583A29Very low29.5Very low82 Ų82137.3 Ų137.368%0.67877%0.767SS**  trans-50.2117.8178.600000110.7P581 V585P581-A583 PolarHBondContact O-N 3.05Å; A583-V585 PolarHBondContact O-N 3.13Å; A583-V585 VanDerWaalsContact O-N 3.13Å
584R30.1Very low29.6Very low243 Ų243140.5 Ų140.592%0.91779%0.792SS**  trans-68.8104.3157.2-85.7-175.5176.6-175.8-0.3107.1V582 S586V582-R584 PolarHBondContact O-N 3.17Å; V582-R584 VanDerWaalsContact O-N 3.17Å; R584-S586 VanDerWaalsContact C-N 3.32Å; R584-S586 PolarHBondContact O-N 3.01Å
585V28.4Very low29.9Very low125 Ų125142.7 Ų142.776%0.75880%0.798SS**  trans-64.296161.3178.40000106.9A583A583-V585 PolarHBondContact O-N 3.13Å; A583-V585 VanDerWaalsContact O-N 3.13Å
586S33.6Very low30.3Very low102 Ų102138.2 Ų138.271%0.71379%0.788SS**  trans-93.4105.8160.752.90000107.8R584 V588R584-S586 VanDerWaalsContact C-N 3.32Å; R584-S586 PolarHBondContact O-N 3.01Å; S586-V588 PolarHBondContact O-N 3.09Å; S586-V588 VanDerWaalsContact O-N 3.09Å
587N27.3Very low30.7Very low147 Ų147136.7 Ų136.779%0.78679%0.789SS**  trans-56106.7163.1-74.5-31.2000109.2
588V33.7Very low31.1Very low126 Ų126137.2 Ų137.276%0.76479%0.791SS**  trans-132.9105.6150.3-179.40000106.6S586 N590S586-V588 PolarHBondContact O-N 3.09Å; S586-V588 VanDerWaalsContact O-N 3.09Å; V588-N590 PolarHBondContact O-N 3.44Å
589V30.5Very low31.5Very low126 Ų126137.7 Ų137.776%0.76479%0.788SS**  trans-60.4122.2169.5173.70000108
590N31.2Very low32Very low153 Ų153140.3 Ų140.382%0.81881%0.81SS**  trans-161.6102.3143.5-91.4-20.6000108.3V588V588-N590 PolarHBondContact O-N 3.44Å
591G31.2Very low32.3Very low70 Ų70142.4 Ų142.472%0.72282%0.816SS**  trans-61.1159.5150.400000108.9
592S32.9Very low32.3Very low118 Ų118143.6 Ų143.683%0.82582%0.818SS**  cis-165.9146.732.444.10000110.4
593C32.1Very low32.4Very low111 Ų111144.2 Ų144.275%0.7582%0.819SS**  trans7.4128.9152.8-68.50000122.4
594T34Very low32.6Very low131 Ų131147.9 Ų147.980%0.80483%0.827SS**  63.6112.4126.862.40000121.5
595L35.1Very low32.7Very low167 Ų167141.9 Ų141.987%0.87482%0.821SS**  trans-1.6111.4145.5-71.9157000118.6
596S32.4Very low33Very low94 Ų94143.1 Ų143.166%0.65783%0.826SS**  trans38.8119.1130.664.90000120.7
597D35.5Very low33Very low168 Ų168146 Ų14690%0.89883%0.834SS**  -147.3148.1121.1-105.7-27.1000111.9
598R32Very low33.4Very low241 Ų241145.9 Ų145.991%0.90984%0.837SS**  trans-77.9146.7-164.5-67.1167.5166.5177.9-4.6114.4
599S34.9Very low33.4Very low116 Ų116147.6 Ų147.681%0.81184%0.844SS**  trans-163.1128.6142.555.10000111
600E38.3Very low33.6Very low276 Ų276149.5 Ų149.5100%1.2985%0.851SS**  trans75.40172.1-64.3-174.8169.700119.9

Retrieved 600 of 600 residues in 644.7 ms (Link to these results)

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