A0A5K4F3C9_SCHMA Loading...

RRM domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3C9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M32.2Very low49.4Very low246 Ų246142.9 Ų142.9100%1.21276%0.763SS**  096.10-68.5-178.3173.900108.8K3M1-K3 PolarHBondContact O-N 3.07Å
2T34.8Very low52.3Low138 Ų138141 Ų14185%0.84775%0.746SS**  trans-71.1118.8173.732.50000108.6T4T2-T4 PolarHBondContact O-N 2.9Å; T2-T4 VanDerWaalsContact O-N 3.14Å
3K37.6Very low55Low199 Ų199136.7 Ų136.787%0.86571%0.713SS**  trans-70.9106.4172.9-74.5-177.9176.6179.60107.8M1 V5M1-K3 PolarHBondContact O-N 3.07Å; K3-V5 PolarHBondContact O-N 3.5Å
4T39.9Very low57.5Low129 Ų129128.6 Ų128.679%0.79167%0.67SS**  trans-61.9106.2170.3-46.40000108.3T2 C6T2-T4 PolarHBondContact O-N 2.9Å; T2-T4 VanDerWaalsContact O-N 3.14Å; T4-C6 PolarHBondContact O-N 2.72Å
5V53.4Low59.7Low67 Ų67122.1 Ų122.141%0.40664%0.639SS.*  trans-75.6107.9171.6178.50000106.4K3 L7 P192K3-V5 PolarHBondContact O-N 3.5Å; V5-L7 VanDerWaalsContact C-N 3.33Å; V5-L7 HydrophobicContact CG1-CD2 4.12Å; V5-L7 PolarHBondContact O-N 2.99Å; V5-P192 HydrophobicContact CG2-CG 4.38Å
6C45.9Very low61.8Low113 Ų113117.5 Ų117.576%0.76461%0.611SS**  trans-66.394.9169.5-68.80000108.5T4 K8T4-C6 PolarHBondContact O-N 2.72Å; C6-K8 PolarHBondContact O-N 3.05Å
7L51.3Low63.6Low122 Ų122110.6 Ų110.664%0.63958%0.575SS**  trans-65.5118.9169-63.4173.5000107.5V5V5-L7 VanDerWaalsContact C-N 3.33Å; V5-L7 HydrophobicContact CG1-CD2 4.12Å; V5-L7 PolarHBondContact O-N 2.99Å
8K57.7Low65.2Low142 Ų142107.3 Ų107.362%0.61756%0.557SS**  trans-66.7144.7169-71.9176.4176.4-179.70108.1C6 S10 Q19C6-K8 PolarHBondContact O-N 3.05Å; K8-S10 PolarHBondContact O-N 3.23Å; K8-Q19 WeakPolarHBondContact CD-O 3.46Å
9N57.5Low66.6Low134 Ų134104.3 Ų104.372%0.71754%0.54SS*.  trans-29.8109.9-175.5-96.50.8000112.9H11 E12N9-H11 PolarHBondContact O-N 3.05Å; N9-E12 PolarHBondContact O-N 2.93Å
10S61.9Low67.9Low97 Ų97102 Ų10268%0.67852%0.524SS*.THydrogen-bonded Turntrans-63.4-10.3-176.351.60000114.1K8K8-S10 PolarHBondContact O-N 3.23Å
11H71.5Confident69Low185 Ų18598.1 Ų98.186%0.85651%0.509SS*.THydrogen-bonded Turntrans-95.7-7.6-178.8-67.4-43.5000114.6N9N9-H11 PolarHBondContact O-N 3.05Å
12E83.6Confident71.9Confident120 Ų12091.8 Ų91.856%0.56147%0.472SS*.SBendtrans-89.1126.8176.1-163.1178.9165.700110.8N9 H14 Y20N9-E12 PolarHBondContact O-N 2.93Å; E12-H14 VanDerWaalsContact CD-CE1 3.48Å; E12-H14 IonicContact OE1-CE1 3.99Å; E12-H14 IonicContact OE2-CE1 2.72Å; E12-Y20 WeakPolarHBondContact O-CE1 3.42Å
13W87.1Confident74.8Confident85 Ų8585.2 Ų85.232%0.32243%0.432SS..  trans-75.1131.5175.817784.6000110.8P15 F221 R222 R223W13-P15 HydrophobicContact CH2-CB 3.75Å; W13-P15 HydrophobicContact CH2-CG 4.3Å; W13-P15 HydrophobicContact CZ2-CB 4.17Å; W13-P15 HydrophobicContact CZ3-CB 4.35Å; W13-P15 HydrophobicContact CZ3-CG 4.42Å; W13-F221 HydrophobicContact CZ2-CB 4.35Å; W13-F221 WeakPolarHBondContact CZ2-O 3.25Å; W13-R222 VanDerWaalsContact CZ2-C 3.47Å; W13-R222 PolarHBondContact NE1-O 3.01Å; W13-R223 HydrophobicContact CD2-CB 4.42Å; W13-R223 HydrophobicContact CD2-CG 4.24Å; W13-R223 HydrophobicContact CE3-CG 4.42Å; W13-R223 HydrophobicContact CH2-CB 4.28Å; W13-R223 HydrophobicContact CZ2-CB 4.04Å
14H90.1Very high77.5Confident23 Ų2378 Ų7811%0.10640%0.403CS..  trans-128.1138.1174.9-62.2-46.7000111.3E12 Y16 Q19 Y20E12-H14 VanDerWaalsContact CD-CE1 3.48Å; E12-H14 IonicContact OE1-CE1 3.99Å; E12-H14 IonicContact OE2-CE1 2.72Å; H14-Y16 VanDerWaalsContact C-N 3.27Å; H14-Y16 PolarHBondContact O-N 3.43Å; H14-Q19 HydrophobicContact CB-CB 3.7Å; H14-Q19 HydrophobicContact CB-CG 4.4Å; H14-Y20 HydrophobicContact CB-CD2 4.3Å; H14-Y20 HydrophobicContact CB-CE1 4.39Å; H14-Y20 HydrophobicContact CB-CE2 3.75Å; H14-Y20 PolarHBondContact N-OH 3.45Å; H14-Y20 WeakPolarHBondContact O-CE2 3.33Å; H14-Y20 PolarHBondContact O-OH 3.44Å; H14-Y20 VanDerWaalsContact O-OH 3.09Å
15P90.5Very high80.2Confident31 Ų3172.2 Ų72.220%0.20137%0.368CS..SBendtrans-69.8-22.717826.6-33.6000113.3W13 P220 F221W13-P15 HydrophobicContact CH2-CB 3.75Å; W13-P15 HydrophobicContact CH2-CG 4.3Å; W13-P15 HydrophobicContact CZ2-CB 4.17Å; W13-P15 HydrophobicContact CZ3-CB 4.35Å; W13-P15 HydrophobicContact CZ3-CG 4.42Å; P15-P220 HydrophobicContact CB-CB 3.97Å; P15-P220 CarbonylContact O-C 3.52Å; P15-P220 WeakPolarHBondContact O-CA 3.27Å; P15-P220 WeakPolarHBondContact O-CB 3.48Å; P15-F221 PolarHBondContact O-N 3.35Å
16Y93Very high82.2Confident49 Ų4969.5 Ų69.519%0.19235%0.351CS..SBendtrans-118.2135.2-175.2-49.7-63.7000112.5H14 H18 Q19 G215 I217 P220H14-Y16 VanDerWaalsContact C-N 3.27Å; H14-Y16 PolarHBondContact O-N 3.43Å; Y16-H18 VanDerWaalsContact C-N 3.25Å; Y16-H18 PolarHBondContact O-N 3.04Å; Y16-Q19 WeakPolarHBondContact O-CB 3.43Å; Y16-Q19 PolarHBondContact O-N 2.95Å; Y16-Q19 VanDerWaalsContact O-N 3.08Å; Y16-G215 CarbonylContact C-O 3.6Å; Y16-G215 WeakPolarHBondContact CA-O 3.47Å; Y16-I217 HydrophobicContact CD1-CG1 4.49Å; Y16-I217 HydrophobicContact CE1-CG1 4.15Å; Y16-P220 HydrophobicContact CD1-CB 4.31Å; Y16-P220 HydrophobicContact CE1-CB 3.98Å
17V93.6Very high84.4Confident1 Ų166 Ų661%0.00633%0.327CS..Hα-helixtrans-58.7-36.4-175.169.40000112.6Q19 Y20 Y23 V28 L191 L203 G215 F221V17-Q19 PolarHBondContact O-N 3.3Å; V17-Q19 VanDerWaalsContact O-N 3.1Å; V17-Y20 PolarHBondContact O-N 3.44Å; V17-Y20 VanDerWaalsContact O-N 3.15Å; V17-Y23 HydrophobicContact CG2-CD2 4.12Å; V17-V28 HydrophobicContact CB-CG1 4.26Å; V17-V28 HydrophobicContact CG2-CG1 3.69Å; V17-L191 HydrophobicContact CG1-CD2 3.93Å; V17-L191 HydrophobicContact CG2-CD2 4.48Å; V17-L203 HydrophobicContact CG1-CD1 3.92Å; V17-L203 HydrophobicContact CG1-CD2 4.02Å; V17-G215 WeakPolarHBondContact CG1-O 3.35Å; V17-G215 PolarHBondContact N-O 2.88Å; V17-F221 HydrophobicContact CB-CE2 4.24Å
18H92.2Very high86.5Confident51 Ų5160.2 Ų60.224%0.23630%0.296CS..Hα-helixtrans-66-18.1-176.883.280000112.9Y16 G21 R152 F187Y16-H18 VanDerWaalsContact C-N 3.25Å; Y16-H18 PolarHBondContact O-N 3.04Å; H18-G21 PolarHBondContact O-N 3.39Å; H18-R152 PolarHBondContact CD2-NH2 3.06Å; H18-R152 PolarHBondContact CE1-NH1 3.26Å; H18-R152 PolarHBondContact NE2-NH1 3.39Å; H18-R152 PolarHBondContact NE2-NH2 3.47Å; H18-F187 HydrophobicContact CB-CD1 4.44Å; H18-F187 HydrophobicContact CB-CE1 3.55Å; H18-F187 HydrophobicContact CB-CZ 4.17Å
19Q91.7Very high88.2Confident50 Ų5053.6 Ų53.623%0.23427%0.269CS..Hα-helixtrans-75.1-30.1178.7-62.2176-77.700111.6K8 H14 Y16 V17 G21K8-Q19 WeakPolarHBondContact CD-O 3.46Å; H14-Q19 HydrophobicContact CB-CB 3.7Å; H14-Q19 HydrophobicContact CB-CG 4.4Å; Y16-Q19 WeakPolarHBondContact O-CB 3.43Å; Y16-Q19 PolarHBondContact O-N 2.95Å; Y16-Q19 VanDerWaalsContact O-N 3.08Å; V17-Q19 PolarHBondContact O-N 3.3Å; V17-Q19 VanDerWaalsContact O-N 3.1Å; Q19-G21 PolarHBondContact O-N 2.95Å
20Y91.8Very high89.9Confident58 Ų5847.3 Ų47.323%0.22724%0.235CC..Hα-helixtrans-71.6-18172.8-62.3-81.8000112.8E12 H14 V17 Y22 F221E12-Y20 WeakPolarHBondContact O-CE1 3.42Å; H14-Y20 HydrophobicContact CB-CD2 4.3Å; H14-Y20 HydrophobicContact CB-CE1 4.39Å; H14-Y20 HydrophobicContact CB-CE2 3.75Å; H14-Y20 PolarHBondContact N-OH 3.45Å; H14-Y20 WeakPolarHBondContact O-CE2 3.33Å; H14-Y20 PolarHBondContact O-OH 3.44Å; H14-Y20 VanDerWaalsContact O-OH 3.09Å; V17-Y20 PolarHBondContact O-N 3.44Å; V17-Y20 VanDerWaalsContact O-N 3.15Å; Y20-Y22 VanDerWaalsContact C-N 3.26Å; Y20-Y22 PolarHBondContact O-N 2.86Å; Y20-F221 HydrophobicContact CD2-CE2 4.46Å; Y20-F221 HydrophobicContact CE2-CD2 4.02Å; Y20-F221 AromaticContact CE2-CE2 3.92Å; Y20-F221 HydrophobicContact CE2-CE2 3.92Å
21G92.2Very high91.3Very high21 Ų2146 Ų4622%0.21622%0.22CC..SBendtrans81.1-5.1175.900000115.3H18 Q19 P192H18-G21 PolarHBondContact O-N 3.39Å; Q19-G21 PolarHBondContact O-N 2.95Å; G21-P192 WeakPolarHBondContact O-CD 3.48Å
22Y93.4Very high92.2Very high112 Ų11238.6 Ų38.644%0.43919%0.186SC..SBendtrans-139.9142.7175.6-172.1-93.5000110.7Y20 D24 P192Y20-Y22 VanDerWaalsContact C-N 3.26Å; Y20-Y22 PolarHBondContact O-N 2.86Å; Y22-D24 HydrophobicContact CD1-CB 4.34Å; Y22-D24 HydrophobicContact CE1-CB 4.33Å; Y22-P192 HydrophobicContact CD2-CB 3.79Å; Y22-P192 HydrophobicContact CE2-CB 4.14Å
23Y95Very high92.5Very high0 Ų033.8 Ų33.80%017%0.169CC..  trans-97.2112.2174.4-178.4-86.9000110.1V17 P25 V28 L191 P192 G193 W194 R195 G201 G202 L203V17-Y23 HydrophobicContact CG2-CD2 4.12Å; Y23-P25 HydrophobicContact CD1-CG 4.47Å; Y23-P25 HydrophobicContact CE1-CG 4.08Å; Y23-V28 HydrophobicContact CD2-CG1 4.01Å; Y23-V28 HydrophobicContact CE1-CG2 4.36Å; Y23-V28 HydrophobicContact CE2-CB 4.34Å; Y23-V28 HydrophobicContact CE2-CG1 3.7Å; Y23-V28 HydrophobicContact CE2-CG2 3.97Å; Y23-V28 WeakPolarHBondContact OH-CG2 3.48Å; Y23-L191 HydrophobicContact CD2-CD2 4.09Å; Y23-L191 HydrophobicContact CG-CD2 4.4Å; Y23-P192 WeakPolarHBondContact CB-O 3.39Å; Y23-P192 PolarHBondContact N-O 2.98Å; Y23-G193 WeakPolarHBondContact CD1-O 3.48Å; Y23-W194 AromaticContact CD2-CE3 3.54Å; Y23-W194 HydrophobicContact CD2-CE3 3.54Å; Y23-W194 AromaticContact CD2-CZ3 3.86Å; Y23-W194 HydrophobicContact CD2-CZ3 3.86Å; Y23-W194 AromaticContact CE2-CE3 3.65Å; Y23-W194 HydrophobicContact CE2-CE3 3.65Å; Y23-W194 AromaticContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CG-CE3 4.09Å; Y23-R195 HydrophobicContact CE1-CB 3.99Å; Y23-R195 HydrophobicContact CE1-CG 4.4Å; Y23-G201 VanDerWaalsContact OH-C 3.22Å; Y23-G201 WeakPolarHBondContact OH-CA 3.37Å; Y23-G202 PolarHBondContact OH-N 3.38Å; Y23-G202 PolarHBondContact OH-O 2.84Å; Y23-L203 HydrophobicContact CE2-CD2 4.01Å; Y23-L203 HydrophobicContact CE2-CG 4.44Å
24D94.5Very high92.6Very high47 Ų4733.5 Ų33.525%0.25118%0.177SC..  trans-107.5120.1168.9172.818.9000110Y22 V26 T27 V28Y22-D24 HydrophobicContact CD1-CB 4.34Å; Y22-D24 HydrophobicContact CE1-CB 4.33Å; D24-V26 PolarHBondContact O-N 3.33Å; D24-V26 VanDerWaalsContact O-N 3.13Å; D24-V26 PolarHBondContact OD1-N 3.29Å; D24-T27 HydrophobicContact CB-CG2 4.1Å; D24-T27 PolarHBondContact O-N 3.41Å; D24-T27 PolarHBondContact O-OG1 3.46Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.42Å; D24-V28 WeakPolarHBondContact O-CG2 3.29Å; D24-V28 PolarHBondContact O-N 2.89Å
25P95.7Very high92.6Very high8 Ų835.1 Ų35.15%0.05219%0.186CC..THydrogen-bonded Turntrans-50.1-32.4175-28.535.3000115.4Y23 V28 G29 I43 A46 L47 R195Y23-P25 HydrophobicContact CD1-CG 4.47Å; Y23-P25 HydrophobicContact CE1-CG 4.08Å; P25-V28 VanDerWaalsContact O-CG2 3.31Å; P25-V28 WeakPolarHBondContact O-CG2 3.17Å; P25-G29 PolarHBondContact O-N 3.46Å; P25-I43 HydrophobicContact CB-CG2 4.01Å; P25-A46 HydrophobicContact CB-CB 3.7Å; P25-A46 HydrophobicContact CG-CB 3.72Å; P25-L47 HydrophobicContact CB-CD2 4.27Å; P25-L47 HydrophobicContact CB-CG 4.34Å; P25-L47 HydrophobicContact CG-CD2 4.12Å; P25-L47 HydrophobicContact CG-CG 4.47Å; P25-R195 HydrophobicContact CG-CG 4.37Å
26V94.8Very high92.5Very high10 Ų1039.7 Ų39.76%0.06121%0.214CC..THydrogen-bonded Turntrans-73-52.6-178.9-173.70000110.2D24 V28 G29 S30 D35 I43 L47D24-V26 PolarHBondContact O-N 3.33Å; D24-V26 VanDerWaalsContact O-N 3.13Å; D24-V26 PolarHBondContact OD1-N 3.29Å; V26-V28 VanDerWaalsContact C-N 3.33Å; V26-V28 PolarHBondContact O-N 2.88Å; V26-G29 WeakPolarHBondContact O-CA 3.4Å; V26-G29 PolarHBondContact O-N 3.21Å; V26-S30 PolarHBondContact O-N 3.16Å; V26-D35 HydrophobicContact CG1-CB 4.25Å; V26-D35 WeakPolarHBondContact CG1-O 3.26Å; V26-I43 HydrophobicContact CB-CG2 4.48Å; V26-I43 HydrophobicContact CG2-CG2 3.86Å; V26-L47 HydrophobicContact CG2-CD1 3.85Å; V26-L47 HydrophobicContact CG2-CD2 4.16Å; V26-L47 HydrophobicContact CG2-CG 4.4Å
27T93.5Very high92.5Very high40 Ų4041.9 Ų41.925%0.24523%0.232CC..G310 helixtrans-54.5-46.8177.660.10000112.2D24 G29 S30 F221D24-T27 HydrophobicContact CB-CG2 4.1Å; D24-T27 PolarHBondContact O-N 3.41Å; D24-T27 PolarHBondContact O-OG1 3.46Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.42Å; T27-G29 PolarHBondContact O-N 3.4Å; T27-S30 WeakPolarHBondContact O-CB 3.42Å; T27-S30 PolarHBondContact O-N 2.97Å; T27-F221 VanDerWaalsContact O-CE1 3.31Å; T27-F221 WeakPolarHBondContact O-CE1 2.84Å
28V94.9Very high92.4Very high0 Ų044 Ų440%025%0.246CC..G310 helixtrans-69.5-17.2178.5-60.10000113V17 Y23 D24 P25 V26 S30 L203 R213 F214 F221V17-V28 HydrophobicContact CB-CG1 4.26Å; V17-V28 HydrophobicContact CG2-CG1 3.69Å; Y23-V28 HydrophobicContact CD2-CG1 4.01Å; Y23-V28 HydrophobicContact CE1-CG2 4.36Å; Y23-V28 HydrophobicContact CE2-CB 4.34Å; Y23-V28 HydrophobicContact CE2-CG1 3.7Å; Y23-V28 HydrophobicContact CE2-CG2 3.97Å; Y23-V28 WeakPolarHBondContact OH-CG2 3.48Å; D24-V28 WeakPolarHBondContact O-CG2 3.29Å; D24-V28 PolarHBondContact O-N 2.89Å; P25-V28 VanDerWaalsContact O-CG2 3.31Å; P25-V28 WeakPolarHBondContact O-CG2 3.17Å; V26-V28 VanDerWaalsContact C-N 3.33Å; V26-V28 PolarHBondContact O-N 2.88Å; V28-S30 VanDerWaalsContact C-N 3.32Å; V28-L203 HydrophobicContact CB-CD2 4.38Å; V28-L203 HydrophobicContact CG1-CD2 4.03Å; V28-R213 CarbonylContact O-C 3.39Å; V28-R213 WeakPolarHBondContact O-CA 3.45Å; V28-F214 PolarHBondContact O-N 3.17Å; V28-F221 HydrophobicContact CG1-CZ 4.16Å
29G94Very high92.3Very high4 Ų446.4 Ų46.44%0.04126%0.257CS..G310 helixtrans-68.2-37.8170.100000111.5P25 V26 T27 H39 F214P25-G29 PolarHBondContact O-N 3.46Å; V26-G29 WeakPolarHBondContact O-CA 3.4Å; V26-G29 PolarHBondContact O-N 3.21Å; T27-G29 PolarHBondContact O-N 3.4Å; G29-H39 VanDerWaalsContact C-CE1 3.43Å; G29-H39 PolarHBondContact O-CE1 3.06Å; G29-H39 VanDerWaalsContact O-CE1 3.28Å; G29-F214 WeakPolarHBondContact O-CD2 3.43Å; G29-F214 WeakPolarHBondContact O-CE2 3.48Å
30S93Very high92.3Very high2 Ų245.4 Ų45.41%0.01425%0.254CS..SBendtrans-74.9142.8-177-169.70000111.9V26 T27 V28 D32 G33 T34 D35 F214 F221V26-S30 PolarHBondContact O-N 3.16Å; T27-S30 WeakPolarHBondContact O-CB 3.42Å; T27-S30 PolarHBondContact O-N 2.97Å; V28-S30 VanDerWaalsContact C-N 3.32Å; S30-D32 VanDerWaalsContact C-N 3.28Å; S30-D32 PolarHBondContact O-N 3.42Å; S30-D32 PolarHBondContact OG-OD1 2.95Å; S30-G33 PolarHBondContact OG-N 3.46Å; S30-T34 PolarHBondContact OG-N 3.27Å; S30-D35 VanDerWaalsContact CB-OD1 3.26Å; S30-D35 WeakPolarHBondContact CB-OD1 3.47Å; S30-D35 PolarHBondContact OG-N 3.16Å; S30-D35 PolarHBondContact OG-OD1 3.24Å; S30-F214 VanDerWaalsContact C-CD2 3.47Å; S30-F214 WeakPolarHBondContact O-CB 3.33Å; S30-F214 WeakPolarHBondContact O-CD2 3.42Å; S30-F214 WeakPolarHBondContact O-CG 3.31Å; S30-F221 WeakPolarHBondContact O-CE1 3.22Å
31I91.3Very high92.4Very high68 Ų6853 Ų5335%0.34928%0.282SS..SBendtrans-65-32.7178.7-171164.4000112.7F214 F221 R222I31-F214 HydrophobicContact CB-CD1 4.48Å; I31-F214 HydrophobicContact CB-CD2 4.45Å; I31-F214 HydrophobicContact CB-CE1 4.12Å; I31-F214 HydrophobicContact CB-CE2 4.06Å; I31-F214 HydrophobicContact CB-CZ 3.89Å; I31-F214 HydrophobicContact CD1-CE1 4.18Å; I31-F214 HydrophobicContact CD1-CZ 4.3Å; I31-F214 HydrophobicContact CG1-CD1 4.11Å; I31-F214 HydrophobicContact CG1-CE1 3.68Å; I31-F214 HydrophobicContact CG1-CZ 3.91Å; I31-F221 CarbonylContact O-C 3.5Å; I31-F221 VanDerWaalsContact O-CA 3.31Å; I31-F221 WeakPolarHBondContact O-CA 3.49Å; I31-R222 HydrophobicContact CD1-CG 4.22Å; I31-R222 HydrophobicContact CG1-CB 4.24Å; I31-R222 HydrophobicContact CG1-CG 3.88Å; I31-R222 PolarHBondContact O-N 3.42Å
32D90.7Very high92.5Very high30 Ų3052.6 Ų52.616%0.1628%0.276CS..SBendtrans-112.3-3.1-178.362.23.5000113.3S30 T34 R222 P224S30-D32 VanDerWaalsContact C-N 3.28Å; S30-D32 PolarHBondContact O-N 3.42Å; S30-D32 PolarHBondContact OG-OD1 2.95Å; D32-T34 HydrophobicContact CB-CG2 4.48Å; D32-T34 VanDerWaalsContact CG-OG1 3.3Å; D32-T34 WeakPolarHBondContact OD1-CB 3.48Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.29Å; D32-T34 PolarHBondContact OD1-N 3.25Å; D32-T34 VanDerWaalsContact OD1-N 3.11Å; D32-T34 PolarHBondContact OD1-OG1 3.3Å; D32-T34 PolarHBondContact OD2-OG1 3.34Å; D32-R222 VanDerWaalsContact CA-O 3.24Å; D32-R222 WeakPolarHBondContact CA-O 3.29Å; D32-R222 VanDerWaalsContact CB-O 3.23Å; D32-R222 WeakPolarHBondContact CB-O 3.48Å; D32-P224 HydrophobicContact CB-CG 4.07Å
33G89.8Confident92.6Very high19 Ų1947.2 Ų47.220%0.19626%0.255CS..SBendtrans86.89.5178.200000114.2S30S30-G33 PolarHBondContact OG-N 3.46Å
34T89Confident92.6Very high79 Ų7952 Ų5249%0.48528%0.277SS..  trans-96.7-13.7-170.965.40000115S30 D32 T36 P224S30-T34 PolarHBondContact OG-N 3.27Å; D32-T34 HydrophobicContact CB-CG2 4.48Å; D32-T34 VanDerWaalsContact CG-OG1 3.3Å; D32-T34 WeakPolarHBondContact OD1-CB 3.48Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.29Å; D32-T34 PolarHBondContact OD1-N 3.25Å; D32-T34 VanDerWaalsContact OD1-N 3.11Å; D32-T34 PolarHBondContact OD1-OG1 3.3Å; D32-T34 PolarHBondContact OD2-OG1 3.34Å; T34-T36 PolarHBondContact O-N 3.1Å; T34-P224 HydrophobicContact CG2-CB 4.27Å; T34-P224 HydrophobicContact CG2-CG 3.84Å
35D89.3Confident92.7Very high57 Ų5755.3 Ų55.331%0.30529%0.287SS..  trans-59.5139.7-179.5-62.67.7000111V26 S30 H39V26-D35 HydrophobicContact CG1-CB 4.25Å; V26-D35 WeakPolarHBondContact CG1-O 3.26Å; S30-D35 VanDerWaalsContact CB-OD1 3.26Å; S30-D35 WeakPolarHBondContact CB-OD1 3.47Å; S30-D35 PolarHBondContact OG-N 3.16Å; S30-D35 PolarHBondContact OG-OD1 3.24Å; D35-H39 IonicContact OD2-CE1 2.87Å; D35-H39 IonicContact OD2-ND1 2.98Å; D35-H39 PolarHBondContact OD2-ND1 3.42Å
36T89.8Confident92.7Very high128 Ų12855 Ų5579%0.78528%0.284SS*.  trans-109.5-12.9175.155.10000112.6T34T34-T36 PolarHBondContact O-N 3.1Å
37T91.9Very high92.7Very high94 Ų9458.5 Ų58.558%0.57730%0.303SS*.SBendtrans-118.7140.5-177.560.90000110.9H39T37-H39 PolarHBondContact O-N 3.04Å
38P92.4Very high92.8Very high45 Ų4562.6 Ų62.629%0.29233%0.328SS..  trans-71.3117.3178.129.3-34.2000110.1I43 Q44 L47P38-I43 HydrophobicContact CB-CB 3.95Å; P38-I43 HydrophobicContact CB-CG2 3.57Å; P38-Q44 HydrophobicContact CB-CG 3.88Å; P38-Q44 HydrophobicContact CG-CG 3.9Å; P38-L47 HydrophobicContact CB-CD1 4.45Å
39H89.5Confident92.9Very high102 Ų10263.4 Ų63.447%0.47233%0.334SS..  trans-87.6-9.9179.361.1-101.4000114G29 D35 T37 I43G29-H39 VanDerWaalsContact C-CE1 3.43Å; G29-H39 PolarHBondContact O-CE1 3.06Å; G29-H39 VanDerWaalsContact O-CE1 3.28Å; D35-H39 IonicContact OD2-CE1 2.87Å; D35-H39 IonicContact OD2-ND1 2.98Å; D35-H39 PolarHBondContact OD2-ND1 3.42Å; T37-H39 PolarHBondContact O-N 3.04Å; H39-I43 WeakPolarHBondContact CE1-CD1 3.32Å
40D92.1Very high92.8Very high30 Ų3068.3 Ų68.316%0.1637%0.367CS..SBendtrans-136.1156.9177.178.442.9000113.4A42 I43 Q44 R213D40-A42 PolarHBondContact O-N 3.3Å; D40-A42 VanDerWaalsContact OD1-CA 3.22Å; D40-A42 WeakPolarHBondContact OD1-CA 3.47Å; D40-A42 VanDerWaalsContact OD1-CB 3.25Å; D40-A42 WeakPolarHBondContact OD1-CB 3.24Å; D40-A42 PolarHBondContact OD1-N 3.02Å; D40-I43 PolarHBondContact O-N 3.49Å; D40-I43 WeakPolarHBondContact OD1-CG1 3.33Å; D40-I43 PolarHBondContact OD1-N 3.21Å; D40-Q44 PolarHBondContact O-N 3.34Å; D40-R213 IonicContact OD1-CZ 3.48Å; D40-R213 IonicContact OD1-NH2 2.94Å; D40-R213 PolarHBondContact OD1-NH2 3.33Å; D40-R213 IonicContact OD2-CZ 3.18Å; D40-R213 VanDerWaalsContact OD2-CZ 3.23Å; D40-R213 IonicContact OD2-NH1 3.63Å; D40-R213 PolarHBondContact OD2-NH1 3.01Å; D40-R213 IonicContact OD2-NH2 3.66Å; D40-R213 PolarHBondContact OD2-NH2 3.38Å
41R93.9Very high92.7Very high217 Ų21771.1 Ų71.182%0.81938%0.378SS*.Hα-helixtrans-63.9-23.8178.6-71.3-172.1178.7159.40.3113.3R45R41-R45 WeakPolarHBondContact O-CB 3.37Å; R41-R45 PolarHBondContact O-N 3.45Å
42A94.7Very high92.6Very high12 Ų1276.7 Ų76.710%0.09940%0.399CS..Hα-helixtrans-74.5-34.5178.100000111.5D40 R45 A46 G200 Q211D40-A42 PolarHBondContact O-N 3.3Å; D40-A42 VanDerWaalsContact OD1-CA 3.22Å; D40-A42 WeakPolarHBondContact OD1-CA 3.47Å; D40-A42 VanDerWaalsContact OD1-CB 3.25Å; D40-A42 WeakPolarHBondContact OD1-CB 3.24Å; D40-A42 PolarHBondContact OD1-N 3.02Å; A42-R45 PolarHBondContact O-N 3.03Å; A42-A46 WeakPolarHBondContact O-CB 3.38Å; A42-A46 PolarHBondContact O-N 3.24Å; A42-G200 VanDerWaalsContact O-CA 3.29Å; A42-G200 WeakPolarHBondContact O-CA 3.1Å; A42-Q211 HydrophobicContact CB-CG 4.31Å
43I95Very high92.2Very high0 Ų076.7 Ų76.70%040%0.402CS..Hα-helixtrans-64.5-46.9171.2-63.6175.8000109.1P25 V26 P38 H39 D40 R45 A46 L47 R213P25-I43 HydrophobicContact CB-CG2 4.01Å; V26-I43 HydrophobicContact CB-CG2 4.48Å; V26-I43 HydrophobicContact CG2-CG2 3.86Å; P38-I43 HydrophobicContact CB-CB 3.95Å; P38-I43 HydrophobicContact CB-CG2 3.57Å; H39-I43 WeakPolarHBondContact CE1-CD1 3.32Å; D40-I43 PolarHBondContact O-N 3.49Å; D40-I43 WeakPolarHBondContact OD1-CG1 3.33Å; D40-I43 PolarHBondContact OD1-N 3.21Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.95Å; I43-A46 WeakPolarHBondContact O-CA 3.45Å; I43-A46 WeakPolarHBondContact O-CB 3.26Å; I43-A46 PolarHBondContact O-N 2.73Å; I43-L47 HydrophobicContact CG2-CD1 4.15Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 2.93Å; I43-R213 VanDerWaalsContact CG1-CZ 3.47Å; I43-R213 VanDerWaalsContact CG1-NH2 3.31Å
44Q95.6Very high91.5Very high99 Ų9984.6 Ų84.646%0.46343%0.431SS..Hα-helixtrans-56.3-45.7175.6-66.7179.1-26.900111.6P38 D40 A46 L47 T48P38-Q44 HydrophobicContact CB-CG 3.88Å; P38-Q44 HydrophobicContact CG-CG 3.9Å; D40-Q44 PolarHBondContact O-N 3.34Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 2.91Å; Q44-L47 PolarHBondContact O-N 3.3Å; Q44-T48 PolarHBondContact O-N 3.29Å; Q44-T48 VanDerWaalsContact O-N 3.1Å; Q44-T48 PolarHBondContact O-OG1 2.96Å
45R95.9Very high90.1Very high117 Ų11787.8 Ų87.844%0.44245%0.445SS..Hα-helixtrans-61.8-38173.9-175.6174.562.4-132.71.8112.6R41 A42 I43 T48 S49 L199R41-R45 WeakPolarHBondContact O-CB 3.37Å; R41-R45 PolarHBondContact O-N 3.45Å; A42-R45 PolarHBondContact O-N 3.03Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.95Å; R45-T48 PolarHBondContact O-OG1 3.43Å; R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 3.3Å; R45-S49 PolarHBondContact O-OG 3.47Å; R45-L199 CarbonylContact C-O 3.46Å
46A96Very high88.7Confident1 Ų186.6 Ų86.61%0.00844%0.438CS..Hα-helixtrans-66.8-40.3178.700000111.6P25 A42 I43 Q44 S49 R195 L199P25-A46 HydrophobicContact CB-CB 3.7Å; P25-A46 HydrophobicContact CG-CB 3.72Å; A42-A46 WeakPolarHBondContact O-CB 3.38Å; A42-A46 PolarHBondContact O-N 3.24Å; I43-A46 WeakPolarHBondContact O-CA 3.45Å; I43-A46 WeakPolarHBondContact O-CB 3.26Å; I43-A46 PolarHBondContact O-N 2.73Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 2.91Å; A46-S49 WeakPolarHBondContact CA-OG 3.3Å; A46-S49 PolarHBondContact O-N 3.3Å; A46-S49 PolarHBondContact O-OG 2.86Å; A46-R195 HydrophobicContact CB-CB 4.39Å; A46-R195 HydrophobicContact CB-CG 4.37Å; A46-L199 WeakPolarHBondContact CA-O 3.37Å; A46-L199 PolarHBondContact N-O 3.23Å; A46-L199 VanDerWaalsContact N-O 3.15Å
47L95.2Very high87.3Confident85 Ų8585.9 Ų85.945%0.44543%0.433SS..Hα-helixtrans-63.6-42.1176.4-70.9171000112.4P25 V26 P38 I43 Q44P25-L47 HydrophobicContact CB-CD2 4.27Å; P25-L47 HydrophobicContact CB-CG 4.34Å; P25-L47 HydrophobicContact CG-CD2 4.12Å; P25-L47 HydrophobicContact CG-CG 4.47Å; V26-L47 HydrophobicContact CG2-CD1 3.85Å; V26-L47 HydrophobicContact CG2-CD2 4.16Å; V26-L47 HydrophobicContact CG2-CG 4.4Å; P38-L47 HydrophobicContact CB-CD1 4.45Å; I43-L47 HydrophobicContact CG2-CD1 4.15Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 2.93Å; Q44-L47 PolarHBondContact O-N 3.3Å
48T95.6Very high85.9Confident125 Ų12585.9 Ų85.977%0.76743%0.425SS*.Hα-helixtrans-80.6-17.5178.759.10000113.4Q44 R45Q44-T48 PolarHBondContact O-N 3.29Å; Q44-T48 VanDerWaalsContact O-N 3.1Å; Q44-T48 PolarHBondContact O-OG1 2.96Å; R45-T48 PolarHBondContact O-OG1 3.43Å
49S95.3Very high84.7Confident18 Ų1885.2 Ų85.213%0.12642%0.419CS..  trans-79.5148.9179.472.60000113.1R45 A46 R195R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 3.3Å; R45-S49 PolarHBondContact O-OG 3.47Å; A46-S49 WeakPolarHBondContact CA-OG 3.3Å; A46-S49 PolarHBondContact O-N 3.3Å; A46-S49 PolarHBondContact O-OG 2.86Å; S49-R195 VanDerWaalsContact O-CZ 3.25Å; S49-R195 PolarHBondContact O-NE 3.06Å; S49-R195 PolarHBondContact O-NH2 3.29Å; S49-R195 WeakPolarHBondContact OG-CD 3.5Å; S49-R195 PolarHBondContact OG-NE 2.97Å
50S92.5Very high84Confident107 Ų10792.2 Ų92.275%0.74844%0.441SS*.  trans-106.7144.5164.167.90000110.1
51Y91.8Very high83.8Confident60 Ų6093.7 Ų93.724%0.23545%0.449CS..  trans-134.7128.9175.1177.8-110.2000109.6W194 P196 L199Y51-W194 WeakPolarHBondContact CD1-O 3.45Å; Y51-W194 AromaticContact CE1-CD1 3.84Å; Y51-P196 HydrophobicContact CD2-CG 3.8Å; Y51-P196 HydrophobicContact CE2-CG 3.93Å; Y51-P196 HydrophobicContact CG-CG 4.17Å; Y51-L199 HydrophobicContact CD2-CD1 4.27Å
52K87.6Confident83.6Confident185 Ų18584 Ų8480%0.80442%0.415SS*.  trans-116.8124.3169.1-170.8176.2179.3-178.50107.5
53S83.3Confident83.5Confident31 Ų3189 Ų8922%0.21744%0.435CS..PPolyproline II helixtrans-61.4140.2171.351.30000109.5G188S53-G188 VanDerWaalsContact CB-O 3.31Å; S53-G188 WeakPolarHBondContact CB-O 3.41Å; S53-G188 PolarHBondContact OG-O 2.99Å
54K75.6Confident83.4Confident184 Ų18489 Ų8980%0.844%0.435SS*.PPolyproline II helixtrans-74.3138.1165.6-67.3-174.1177.8-174.40107.6
55D59.2Low83.4Confident147 Ų14784.3 Ų84.379%0.78641%0.413SS*.PPolyproline II helixtrans-57.9145.6177.9-71.2-33.3000111.1V57D55-V57 PolarHBondContact O-N 2.98Å
56H60.9Low83.3Confident32 Ų3278.8 Ų78.815%0.14839%0.392CS..PPolyproline II helixtrans-71.2123.3-167.9-65.6-90.8000112.2F58 N59 A62 Y137 Y186H56-F58 PolarHBondContact O-N 3.36Å; H56-N59 WeakPolarHBondContact CB-O 3.19Å; H56-N59 VanDerWaalsContact CG-O 3.29Å; H56-A62 VanDerWaalsContact NE2-CA 3.27Å; H56-A62 WeakPolarHBondContact NE2-CA 3.36Å; H56-A62 WeakPolarHBondContact NE2-CB 3.31Å; H56-Y137 HydrophobicContact CB-CE1 4.35Å; H56-Y186 AromaticContact CE1-CD1 3.21Å; H56-Y186 WeakPolarHBondContact CE1-CD1 3.14Å; H56-Y186 AromaticContact CE1-CE1 3.03Å; H56-Y186 WeakPolarHBondContact CE1-CE1 3.4Å; H56-Y186 AromaticContact CE1-CZ 3.82Å; H56-Y186 AromaticContact NE2-CD1 3.83Å; H56-Y186 AromaticContact NE2-CE1 3.48Å; H56-Y186 WeakPolarHBondContact NE2-CE1 3.09Å
57V60.3Low83.3Confident112 Ų11281.4 Ų81.468%0.67940%0.404SS*.SBendtrans-57-36.2179.5-179.40000112.6D55D55-V57 PolarHBondContact O-N 2.98Å
58F61.9Low83.3Confident94 Ų9477.4 Ų77.441%0.41238%0.383SS..SBendtrans-117.1-21.9-168.8-64.4-75.7000116H56 H120 Y137H56-F58 PolarHBondContact O-N 3.36Å; F58-H120 HydrophobicContact CD2-CB 4.33Å; F58-H120 HydrophobicContact CE2-CB 3.9Å; F58-H120 AromaticContact CE2-ND1 3.86Å; F58-Y137 HydrophobicContact CB-CD1 3.91Å; F58-Y137 HydrophobicContact CB-CD2 3.73Å; F58-Y137 HydrophobicContact CB-CE1 4.05Å; F58-Y137 HydrophobicContact CB-CE2 3.92Å; F58-Y137 HydrophobicContact CB-CG 3.73Å; F58-Y137 AromaticContact CD2-CD2 3.86Å; F58-Y137 HydrophobicContact CD2-CD2 3.86Å; F58-Y137 AromaticContact CD2-CE2 3.37Å; F58-Y137 HydrophobicContact CD2-CE2 3.37Å; F58-Y137 AromaticContact CD2-CZ 3.77Å; F58-Y137 HydrophobicContact CE2-CE2 4.28Å; F58-Y137 HydrophobicContact CG-CD2 4.11Å; F58-Y137 HydrophobicContact CG-CE2 4.03Å
59N66.6Low83.2Confident32 Ų3271.5 Ų71.517%0.17135%0.347CS..  trans-149.6123.5177.9-170.7-20.9000110.6H56 N61 A64 Y137 F138H56-N59 WeakPolarHBondContact CB-O 3.19Å; H56-N59 VanDerWaalsContact CG-O 3.29Å; N59-N61 PolarHBondContact O-N 3.42Å; N59-N61 VanDerWaalsContact O-N 3.13Å; N59-N61 PolarHBondContact OD1-N 3.15Å; N59-A64 WeakPolarHBondContact ND2-CB 3.5Å; N59-Y137 HydrophobicContact CB-CD1 3.9Å; N59-F138 PolarHBondContact ND2-O 3.38Å
60R74.6Confident83.1Confident248 Ų24876.3 Ų76.394%0.93636%0.362SS*.SBendtrans-60.1-24179-60.6-177.7-172.9-170.31.9113
61N88.2Confident83.1Confident61 Ų6171.5 Ų71.533%0.32633%0.328SS..  trans-88.7109.8179.8-169.5-5000112N59 K63 A64N59-N61 PolarHBondContact O-N 3.42Å; N59-N61 VanDerWaalsContact O-N 3.13Å; N59-N61 PolarHBondContact OD1-N 3.15Å; N61-K63 PolarHBondContact O-N 2.94Å; N61-K63 WeakPolarHBondContact OD1-CB 3.43Å; N61-K63 PolarHBondContact OD1-N 3.42Å; N61-A64 HydrophobicContact CB-CB 4.24Å; N61-A64 PolarHBondContact O-N 2.94Å; N61-A64 VanDerWaalsContact O-N 3.17Å
62A90.4Very high83.2Confident13 Ų1369.6 Ų69.611%0.10732%0.323CS..G310 helixtrans-57.1-32.6175.400000113.8H56 A64 T65 Y186 T190H56-A62 VanDerWaalsContact NE2-CA 3.27Å; H56-A62 WeakPolarHBondContact NE2-CA 3.36Å; H56-A62 WeakPolarHBondContact NE2-CB 3.31Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A62-T65 WeakPolarHBondContact O-CB 3.46Å; A62-T65 PolarHBondContact O-N 3.03Å; A62-Y186 HydrophobicContact CB-CD1 4.19Å; A62-T190 HydrophobicContact CB-CG2 3.84Å; A62-T190 WeakPolarHBondContact O-CG2 3.16Å
63K92.3Very high83.4Confident117 Ų11768.9 Ų68.951%0.50932%0.316SS..G310 helixtrans-76.2-20.8-177.7-58.6-176.1177.2179.90113.6N61 T65 E141 T190N61-K63 PolarHBondContact O-N 2.94Å; N61-K63 WeakPolarHBondContact OD1-CB 3.43Å; N61-K63 PolarHBondContact OD1-N 3.42Å; K63-T65 PolarHBondContact O-N 3.4Å; K63-E141 HydrophobicContact CB-CB 4.31Å; K63-E141 HydrophobicContact CB-CG 3.77Å; K63-E141 HydrophobicContact CD-CG 4.24Å; K63-E141 WeakPolarHBondContact CD-OE1 3.46Å; K63-E141 VanDerWaalsContact CD-OE2 3.26Å; K63-E141 WeakPolarHBondContact CD-OE2 3.44Å; K63-E141 IonicContact NZ-OE1 3.77Å; K63-E141 PolarHBondContact NZ-OE1 2.65Å; K63-E141 IonicContact NZ-OE2 3.59Å; K63-T190 HydrophobicContact CB-CG2 4.29Å; K63-T190 HydrophobicContact CG-CG2 3.78Å
64A93.4Very high83.8Confident0 Ų073 Ų730%033%0.332CS..G310 helixtrans-84.715.1171.500000112.4N59 N61 A62 F138N59-A64 WeakPolarHBondContact ND2-CB 3.5Å; N61-A64 HydrophobicContact CB-CB 4.24Å; N61-A64 PolarHBondContact O-N 2.94Å; N61-A64 VanDerWaalsContact O-N 3.17Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A64-F138 PolarHBondContact O-N 2.82Å
65T94.1Very high84.5Confident2 Ų264.9 Ų64.91%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-118.5128.3179.6-52.60000110.5A62 K63 F135 A136 Y137 Y186A62-T65 WeakPolarHBondContact O-CB 3.46Å; A62-T65 PolarHBondContact O-N 3.03Å; K63-T65 PolarHBondContact O-N 3.4Å; T65-F135 HydrophobicContact CG2-CB 4.2Å; T65-F135 HydrophobicContact CG2-CD1 4.32Å; T65-A136 CarbonylContact C-O 3.6Å; T65-A136 WeakPolarHBondContact CA-O 3.49Å; T65-Y137 HydrophobicContact CG2-CD1 3.97Å; T65-Y137 HydrophobicContact CG2-CE1 3.86Å; T65-Y137 WeakPolarHBondContact OG1-CD1 3.26Å; T65-Y186 HydrophobicContact CG2-CG 4.18Å; T65-Y186 VanDerWaalsContact O-CB 3.24Å; T65-Y186 WeakPolarHBondContact O-CB 3.26Å; T65-Y186 PolarHBondContact O-N 3.32Å; T65-Y186 VanDerWaalsContact O-N 3.09Å
66I95.2Very high86Confident0 Ų060.9 Ų60.90%028%0.281CS..EExtended strand (participates in β ladder)trans-106.1134.7174.2-62.9-177.6000109F135 A136 F138 A144 V147 L148 L183 E184I66-F135 WeakPolarHBondContact O-CA 3.38Å; I66-A136 HydrophobicContact CB-CB 4.41Å; I66-A136 PolarHBondContact N-O 3.15Å; I66-A136 PolarHBondContact O-N 3.09Å; I66-F138 HydrophobicContact CB-CE2 4.19Å; I66-F138 HydrophobicContact CD1-CD2 4.12Å; I66-F138 HydrophobicContact CD1-CE2 3.42Å; I66-F138 VanDerWaalsContact CD1-CE2 3.42Å; I66-F138 HydrophobicContact CD1-CZ 3.95Å; I66-F138 HydrophobicContact CG1-CD2 4.18Å; I66-F138 HydrophobicContact CG1-CE2 3.78Å; I66-A144 HydrophobicContact CD1-CB 4.22Å; I66-A144 WeakPolarHBondContact CD1-O 3.27Å; I66-A144 HydrophobicContact CG1-CB 4.05Å; I66-V147 HydrophobicContact CD1-CB 3.82Å; I66-V147 HydrophobicContact CD1-CG1 3.66Å; I66-L148 HydrophobicContact CD1-CD1 4.49Å; I66-L148 HydrophobicContact CD1-CD2 4.17Å; I66-L148 HydrophobicContact CD1-CG 3.84Å; I66-L148 HydrophobicContact CG1-CD1 4.35Å; I66-L148 HydrophobicContact CG1-CD2 4.34Å; I66-L148 HydrophobicContact CG1-CG 4.16Å; I66-L148 HydrophobicContact CG2-CD2 4.17Å; I66-L183 HydrophobicContact CG2-CB 4.24Å; I66-L183 HydrophobicContact CG2-CD2 4.34Å; I66-E184 WeakPolarHBondContact CG2-O 3.47Å
67F95.1Very high87.4Confident57 Ų5763.1 Ų63.125%0.2529%0.291CS..EExtended strand (participates in β ladder)trans-84.2126.6167.3173.2-102.9000109.9Y133 F135 I182 L183 E184F67-Y133 HydrophobicContact CD2-CD2 4.43Å; F67-Y133 AromaticContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CG 4Å; F67-Y133 HydrophobicContact CZ-CG 4.49Å; F67-F135 HydrophobicContact CB-CE1 4.44Å; F67-F135 HydrophobicContact CD2-CD1 4.25Å; F67-F135 AromaticContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CZ 4.18Å; F67-F135 HydrophobicContact CE2-CE1 4.5Å; F67-I182 HydrophobicContact CE1-CD1 4.17Å; F67-I182 HydrophobicContact CE1-CG1 4.5Å; F67-L183 WeakPolarHBondContact O-CA 3.42Å; F67-E184 HydrophobicContact CD1-CB 4.32Å; F67-E184 PolarHBondContact N-O 3.43Å; F67-E184 PolarHBondContact O-N 3.05Å
68V95.3Very high88.8Confident0 Ų061.2 Ų61.20%028%0.276CS..EExtended strand (participates in β ladder)trans-108.7110.6173.2-172.50000107.7L71 L80 L84 Y133 A134 A136 V181 I182 L183V68-L71 HydrophobicContact CG1-CD1 4.11Å; V68-L80 HydrophobicContact CG1-CD1 4.14Å; V68-L80 HydrophobicContact CG1-CD2 4.38Å; V68-L84 HydrophobicContact CG2-CD1 4.37Å; V68-Y133 CarbonylContact O-C 3.55Å; V68-Y133 WeakPolarHBondContact O-CA 3Å; V68-Y133 VanDerWaalsContact O-CB 3.26Å; V68-Y133 WeakPolarHBondContact O-CB 3.43Å; V68-A134 HydrophobicContact CB-CB 4.21Å; V68-A134 PolarHBondContact N-O 3.22Å; V68-A134 PolarHBondContact O-N 3.09Å; V68-A136 HydrophobicContact CG2-CB 4.34Å; V68-V181 HydrophobicContact CG1-CG1 3.74Å; V68-I182 CarbonylContact C-O 3.52Å; V68-I182 WeakPolarHBondContact CA-O 3.36Å; V68-L183 HydrophobicContact CB-CD2 4.1Å; V68-L183 HydrophobicContact CG1-CD2 3.85Å; V68-L183 HydrophobicContact CG2-CD2 3.69Å
69G94Very high90.2Very high1 Ų158.3 Ų58.31%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-109.6166.7179.500000112.8L71 V181 I182G69-L71 PolarHBondContact O-N 3.36Å; G69-V181 WeakPolarHBondContact O-CA 3.21Å; G69-I182 VanDerWaalsContact CA-CG1 3.47Å; G69-I182 PolarHBondContact N-O 3.43Å; G69-I182 WeakPolarHBondContact O-CG1 3.31Å; G69-I182 PolarHBondContact O-N 3.46Å
70R92.6Very high91.4Very high119 Ų11956.8 Ų56.845%0.44926%0.259SS..SBendtrans54.935.9180-60.1178.6176.7-177.5-1.7112.4G132 K180 I182R70-G132 PolarHBondContact N-O 3.39Å; R70-G132 VanDerWaalsContact N-O 3.14Å; R70-K180 WeakPolarHBondContact CB-O 3.31Å; R70-K180 WeakPolarHBondContact CD-O 3.03Å; R70-I182 HydrophobicContact CG-CD1 4.41Å; R70-I182 HydrophobicContact CG-CG1 4.39Å
71L93.7Very high92.2Very high7 Ų745.1 Ų45.14%0.03722%0.215CC..  trans-71133.2177.7-16669.7000109.6V68 G69 T75 L80 I121 G132 A134 I175 V181V68-L71 HydrophobicContact CG1-CD1 4.11Å; G69-L71 PolarHBondContact O-N 3.36Å; L71-T75 HydrophobicContact CD1-CG2 3.93Å; L71-T75 HydrophobicContact CD2-CG2 4.42Å; L71-T75 HydrophobicContact CG-CG2 4.28Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L71-L80 HydrophobicContact CD1-CD2 4.15Å; L71-L80 HydrophobicContact CD2-CD2 4Å; L71-I121 HydrophobicContact CD2-CD1 4.42Å; L71-I121 HydrophobicContact CD2-CG1 4.36Å; L71-G132 PolarHBondContact N-O 3.41Å; L71-G132 VanDerWaalsContact O-CA 3.31Å; L71-G132 WeakPolarHBondContact O-CA 3.29Å; L71-A134 HydrophobicContact CD2-CB 4.22Å; L71-I175 HydrophobicContact CD1-CD1 3.74Å; L71-V181 HydrophobicContact CD1-CG2 4.37Å
72P92.7Very high92.3Very high20 Ų2046.7 Ų46.713%0.1322%0.219CC..  trans-57.9142.1169.7-23.233.9000111.6H74 T75 P176 N177P72-H74 PolarHBondContact O-N 3.05Å; P72-T75 WeakPolarHBondContact CB-OG1 3.43Å; P72-T75 WeakPolarHBondContact CD-OG1 3.37Å; P72-T75 WeakPolarHBondContact O-CB 3.44Å; P72-T75 PolarHBondContact O-N 2.97Å; P72-T75 VanDerWaalsContact O-N 3.17Å; P72-T75 PolarHBondContact O-OG1 3.36Å; P72-T75 VanDerWaalsContact O-OG1 3.12Å; P72-P176 WeakPolarHBondContact CG-O 3.18Å; P72-N177 HydrophobicContact CB-CB 4.29Å; P72-N177 HydrophobicContact CG-CB 3.84Å; P72-N177 VanDerWaalsContact CG-O 3.28Å; P72-N177 WeakPolarHBondContact CG-O 3.48Å
73Y92.8Very high92.3Very high170 Ų17046.3 Ų46.367%0.66722%0.215SC*.THydrogen-bonded Turntrans-67.3-20.5-176-58.5-53.4000113.9P130Y73-P130 HydrophobicContact CD1-CG 4.27Å; Y73-P130 VanDerWaalsContact CD1-O 3.23Å; Y73-P130 WeakPolarHBondContact CD1-O 3.43Å; Y73-P130 WeakPolarHBondContact CE1-O 3.36Å; Y73-P130 WeakPolarHBondContact O-CG 3.45Å
74H91Very high92.3Very high116 Ų11640.7 Ų40.754%0.53719%0.191SC..THydrogen-bonded Turntrans-91.41178.562.2-93000113.2P72 S76P72-H74 PolarHBondContact O-N 3.05Å; H74-S76 PolarHBondContact O-N 3.39Å
75T90.3Very high92.2Very high14 Ų1442.7 Ų42.79%0.08620%0.201CC..  trans-69.2123.8-177.4-56.40000111.2L71 P72 L80 I175L71-T75 HydrophobicContact CD1-CG2 3.93Å; L71-T75 HydrophobicContact CD2-CG2 4.42Å; L71-T75 HydrophobicContact CG-CG2 4.28Å; P72-T75 WeakPolarHBondContact CB-OG1 3.43Å; P72-T75 WeakPolarHBondContact CD-OG1 3.37Å; P72-T75 WeakPolarHBondContact O-CB 3.44Å; P72-T75 PolarHBondContact O-N 2.97Å; P72-T75 VanDerWaalsContact O-N 3.17Å; P72-T75 PolarHBondContact O-OG1 3.36Å; P72-T75 VanDerWaalsContact O-OG1 3.12Å; T75-L80 HydrophobicContact CG2-CB 4.18Å; T75-I175 HydrophobicContact CG2-CD1 3.85Å
76S90.7Very high91.9Very high63 Ų6347.8 Ų47.844%0.44122%0.224SC..  trans-80.3150.117571.10000112H74 I78 C79 L80H74-S76 PolarHBondContact O-N 3.39Å; S76-I78 PolarHBondContact O-N 3.36Å; S76-C79 PolarHBondContact O-N 2.97Å; S76-C79 VanDerWaalsContact O-N 3.15Å; S76-C79 VanDerWaalsContact OG-CB 3.27Å; S76-C79 WeakPolarHBondContact OG-CB 3.29Å; S76-C79 PolarHBondContact OG-N 3.45Å; S76-L80 PolarHBondContact O-N 3.27Å; S76-L80 VanDerWaalsContact O-N 3.1Å
77K91.1Very high91.6Very high79 Ų7948.4 Ų48.434%0.34323%0.227SC..Hα-helixtrans-50.6-43.4174-175.6-169.5168.8-167.80111.5L80 Q81 D113 I119 I121K77-L80 PolarHBondContact O-N 3.31Å; K77-Q81 VanDerWaalsContact O-CB 3.29Å; K77-Q81 WeakPolarHBondContact O-CB 3.29Å; K77-Q81 PolarHBondContact O-N 3.45Å; K77-D113 IonicContact NZ-OD1 3.23Å; K77-D113 PolarHBondContact NZ-OD1 3.44Å; K77-I119 WeakPolarHBondContact CE-O 2.96Å; K77-I119 HydrophobicContact CG-CB 3.85Å; K77-I119 HydrophobicContact CG-CG2 4.15Å; K77-I121 HydrophobicContact CB-CD1 4.38Å
78I89.8Confident91.3Very high72 Ų7246.9 Ų46.937%0.36922%0.222SC..Hα-helixtrans-65.3-43.4-178.1-60.4171000111.2S76 Q81 K82S76-I78 PolarHBondContact O-N 3.36Å; I78-Q81 PolarHBondContact O-N 3.03Å; I78-K82 HydrophobicContact CG2-CD 4.3Å; I78-K82 WeakPolarHBondContact O-CG 3.34Å; I78-K82 PolarHBondContact O-N 3.11Å
79C90.5Very high90.9Very high34 Ų3449 Ų4923%0.2323%0.233CC..Hα-helixtrans-63.2-46.3178.5-179.10000110.8S76 Q81 K82 A83 I175S76-C79 PolarHBondContact O-N 2.97Å; S76-C79 VanDerWaalsContact O-N 3.15Å; S76-C79 VanDerWaalsContact OG-CB 3.27Å; S76-C79 WeakPolarHBondContact OG-CB 3.29Å; S76-C79 PolarHBondContact OG-N 3.45Å; C79-Q81 PolarHBondContact O-N 3.22Å; C79-K82 PolarHBondContact O-N 3.03Å; C79-A83 PolarHBondContact O-N 3.07Å; C79-I175 WeakPolarHBondContact SG-CG2 3.22Å
80L91.9Very high90.2Very high0 Ų054.7 Ų54.70%026%0.258CS..Hα-helixtrans-64.3-39.1177-176.554.6000112.6V68 L71 T75 S76 K77 L84 I119 A134 L173V68-L80 HydrophobicContact CG1-CD1 4.14Å; V68-L80 HydrophobicContact CG1-CD2 4.38Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L71-L80 HydrophobicContact CD1-CD2 4.15Å; L71-L80 HydrophobicContact CD2-CD2 4Å; T75-L80 HydrophobicContact CG2-CB 4.18Å; S76-L80 PolarHBondContact O-N 3.27Å; S76-L80 VanDerWaalsContact O-N 3.1Å; K77-L80 PolarHBondContact O-N 3.31Å; L80-L84 HydrophobicContact CD1-CD1 3.95Å; L80-L84 HydrophobicContact CD1-CG 4.21Å; L80-L84 HydrophobicContact CG-CD1 4.08Å; L80-L84 WeakPolarHBondContact O-CB 3.39Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 2.73Å; L80-L84 VanDerWaalsContact O-N 3.09Å; L80-I119 HydrophobicContact CB-CG2 4.41Å; L80-I119 HydrophobicContact CD2-CG2 3.66Å; L80-I119 HydrophobicContact CG-CD1 4.44Å; L80-I119 HydrophobicContact CG-CG2 4.1Å; L80-A134 HydrophobicContact CD2-CB 3.78Å; L80-L173 HydrophobicContact CD1-CD2 3.45Å; L80-L173 VanDerWaalsContact CD1-CD2 3.45Å
81Q91.9Very high89.2Confident3 Ų354.7 Ų54.71%0.01426%0.262CS..Hα-helixtrans-62.8-45.9176-177.4177.413.400111.9K77 I78 C79 H85 C112 I115 P117 I119K77-Q81 VanDerWaalsContact O-CB 3.29Å; K77-Q81 WeakPolarHBondContact O-CB 3.29Å; K77-Q81 PolarHBondContact O-N 3.45Å; I78-Q81 PolarHBondContact O-N 3.03Å; C79-Q81 PolarHBondContact O-N 3.22Å; Q81-H85 VanDerWaalsContact O-CB 3.24Å; Q81-H85 WeakPolarHBondContact O-CB 3.47Å; Q81-H85 PolarHBondContact O-N 3.26Å; Q81-C112 PolarHBondContact NE2-O 2.9Å; Q81-I115 PolarHBondContact NE2-O 3.24Å; Q81-P117 WeakPolarHBondContact CG-O 3.39Å; Q81-I119 HydrophobicContact CB-CG1 3.83Å; Q81-I119 HydrophobicContact CG-CG1 4.44Å
82K89.7Confident88.1Confident94 Ų9458.5 Ų58.541%0.40928%0.282SS..Hα-helixtrans-60.3-51.1176.6-75.6178.2177.9-174.20111.6I78 C79 L84 H85 E86 Y103I78-K82 HydrophobicContact CG2-CD 4.3Å; I78-K82 WeakPolarHBondContact O-CG 3.34Å; I78-K82 PolarHBondContact O-N 3.11Å; C79-K82 PolarHBondContact O-N 3.03Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.12Å; K82-H85 WeakPolarHBondContact O-CB 3.35Å; K82-H85 PolarHBondContact O-N 3.19Å; K82-H85 VanDerWaalsContact O-N 3.15Å; K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.18Å; K82-Y103 HydrophobicContact CG-CE1 4.25Å; K82-Y103 VanDerWaalsContact CG-OH 3.3Å; K82-Y103 WeakPolarHBondContact CG-OH 3.39Å
83A90.8Very high86.4Confident4 Ų460 Ų603%0.03330%0.301CS..Hα-helixtrans-61.1-41-178.600000112.4C79 E86 L87 L173 I175C79-A83 PolarHBondContact O-N 3.07Å; A83-E86 PolarHBondContact O-N 2.94Å; A83-L87 WeakPolarHBondContact O-CG 3.43Å; A83-L87 PolarHBondContact O-N 2.99Å; A83-L173 HydrophobicContact CB-CD1 3.83Å; A83-L173 HydrophobicContact CB-CD2 4.02Å; A83-L173 HydrophobicContact CB-CG 3.77Å; A83-I175 HydrophobicContact CB-CG2 3.69Å
84L92.4Very high84.6Confident0 Ų058.8 Ų58.80%031%0.306CS..Hα-helixtrans-71.6-34.2176.4-70.9170.1000112.8V68 L80 K82 L87 L88 P117 I119 A136 F138 V147 L183V68-L84 HydrophobicContact CG2-CD1 4.37Å; L80-L84 HydrophobicContact CD1-CD1 3.95Å; L80-L84 HydrophobicContact CD1-CG 4.21Å; L80-L84 HydrophobicContact CG-CD1 4.08Å; L80-L84 WeakPolarHBondContact O-CB 3.39Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 2.73Å; L80-L84 VanDerWaalsContact O-N 3.09Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.12Å; L84-L87 HydrophobicContact CD2-CD1 4.27Å; L84-L87 PolarHBondContact O-N 3.06Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.17Å; L84-P117 HydrophobicContact CB-CG 3.73Å; L84-P117 HydrophobicContact CD1-CG 4.47Å; L84-I119 HydrophobicContact CD1-CD1 3.55Å; L84-A136 HydrophobicContact CD1-CB 3.52Å; L84-F138 HydrophobicContact CB-CZ 4.48Å; L84-V147 HydrophobicContact CD2-CG1 4.12Å; L84-L183 HydrophobicContact CD2-CD1 3.86Å; L84-L183 HydrophobicContact CD2-CD2 4.1Å
85H90.9Very high82.8Confident42 Ų4260.1 Ų60.119%0.19432%0.317CS..Hα-helixtrans-65.9-38.5173.7178.8-93.4000111.8Q81 K82 L88 N89 W116Q81-H85 VanDerWaalsContact O-CB 3.24Å; Q81-H85 WeakPolarHBondContact O-CB 3.47Å; Q81-H85 PolarHBondContact O-N 3.26Å; K82-H85 WeakPolarHBondContact O-CB 3.35Å; K82-H85 PolarHBondContact O-N 3.19Å; K82-H85 VanDerWaalsContact O-N 3.15Å; H85-L88 PolarHBondContact O-N 3.36Å; H85-N89 PolarHBondContact CE1-ND2 3.09Å; H85-N89 PolarHBondContact ND1-ND2 2.82Å; H85-N89 PolarHBondContact NE2-ND2 3.48Å; H85-N89 VanDerWaalsContact NE2-ND2 3.17Å; H85-N89 PolarHBondContact O-N 3.1Å; H85-N89 VanDerWaalsContact O-N 3.16Å; H85-N89 PolarHBondContact O-ND2 2.9Å; H85-W116 PolarHBondContact CD2-O 3.03Å
86E87.7Confident81.1Confident108 Ų10862.6 Ų62.651%0.50533%0.33SS..Hα-helixtrans-65-43.6173.2-73.6169.4-174.300111.6K82 A83 L88 N89 K90K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.18Å; A83-E86 PolarHBondContact O-N 2.94Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.88Å; E86-N89 PolarHBondContact O-N 3.08Å; E86-K90 PolarHBondContact O-N 2.87Å
87L88.4Confident79.1Confident13 Ų1365.3 Ų65.37%0.06834%0.339CS..Hα-helixtrans-59.7-40.5173.8-74.6179.5000112.8A83 L84 N89 K90 V147 W151 L173 L183A83-L87 WeakPolarHBondContact O-CG 3.43Å; A83-L87 PolarHBondContact O-N 2.99Å; L84-L87 HydrophobicContact CD2-CD1 4.27Å; L84-L87 PolarHBondContact O-N 3.06Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.2Å; L87-K90 WeakPolarHBondContact O-CB 3.46Å; L87-K90 PolarHBondContact O-N 2.91Å; L87-V147 HydrophobicContact CB-CG1 4.28Å; L87-V147 HydrophobicContact CD1-CG1 4.42Å; L87-W151 HydrophobicContact CD1-CE3 4.25Å; L87-L173 HydrophobicContact CD1-CD1 3.33Å; L87-L173 HydrophobicContact CG-CD1 4.15Å; L87-L183 HydrophobicContact CD1-CD1 3.79Å
88L89.3Confident77.1Confident25 Ų2570.7 Ų70.713%0.13136%0.363CS..Hα-helixtrans-61.4-40.7177.2177.561.5000111.5L84 H85 E86 F138 D143 R146 V147L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.17Å; H85-L88 PolarHBondContact O-N 3.36Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.88Å; L88-F138 HydrophobicContact CD2-CD1 4.36Å; L88-F138 HydrophobicContact CD2-CE1 4.34Å; L88-D143 HydrophobicContact CD1-CB 3.67Å; L88-D143 WeakPolarHBondContact CD1-O 3.44Å; L88-D143 HydrophobicContact CD2-CB 4.45Å; L88-R146 HydrophobicContact CD1-CB 4.3Å; L88-V147 HydrophobicContact CB-CG2 3.67Å; L88-V147 HydrophobicContact CD1-CG2 3.93Å; L88-V147 HydrophobicContact CG-CG2 4.39Å
89N86.2Confident75.3Confident46 Ų4675.2 Ų75.225%0.24638%0.38CS..Hα-helixtrans-89.9-1.7-176.2-67.7-57.2000114.4H85 E86 L87 H91 L92H85-N89 PolarHBondContact CE1-ND2 3.09Å; H85-N89 PolarHBondContact ND1-ND2 2.82Å; H85-N89 PolarHBondContact NE2-ND2 3.48Å; H85-N89 VanDerWaalsContact NE2-ND2 3.17Å; H85-N89 PolarHBondContact O-N 3.1Å; H85-N89 VanDerWaalsContact O-N 3.16Å; H85-N89 PolarHBondContact O-ND2 2.9Å; E86-N89 PolarHBondContact O-N 3.08Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.2Å; N89-H91 PolarHBondContact O-N 2.85Å; N89-L92 PolarHBondContact O-N 3.02Å
90K81Confident73.4Confident120 Ų12076.6 Ų76.652%0.52239%0.39SS..THydrogen-bonded Turntrans-54.5-32.5-173.9-167.5172.3-170.8174.50114.3E86 L87 Q154E86-K90 PolarHBondContact O-N 2.87Å; L87-K90 WeakPolarHBondContact O-CB 3.46Å; L87-K90 PolarHBondContact O-N 2.91Å; K90-Q154 VanDerWaalsContact CD-NE2 3.33Å; K90-Q154 VanDerWaalsContact NZ-CG 3.3Å
91H71.5Confident71.3Confident118 Ų11886.2 Ų86.255%0.54643%0.426SS..THydrogen-bonded Turntrans-85.1-14.8179.6-69.7-73.2000114.3N89 G93N89-H91 PolarHBondContact O-N 2.85Å; H91-G93 PolarHBondContact O-N 3.48Å; H91-G93 VanDerWaalsContact O-N 3.07Å
92L69.6Low69.3Low87 Ų8795.4 Ų95.446%0.45547%0.466SS..SBendtrans-85.939.3-177.7-71.4157.9000111.6N89 L96N89-L92 PolarHBondContact O-N 3.02Å; L92-L96 HydrophobicContact CB-CD1 3.68Å; L92-L96 HydrophobicContact CB-CG 4.4Å; L92-L96 HydrophobicContact CD1-CD1 3.87Å; L92-L96 HydrophobicContact CG-CD1 4.3Å
93G58.2Low67.4Low51 Ų5194.5 Ų94.553%0.52646%0.461SS..THydrogen-bonded Turntrans-39.4138.2-167.800000115.6H91 D95H91-G93 PolarHBondContact O-N 3.48Å; H91-G93 VanDerWaalsContact O-N 3.07Å; G93-D95 PolarHBondContact O-N 3.09Å
94N53.5Low65.4Low145 Ų14597 Ų9778%0.77548%0.477SS*.THydrogen-bonded Turntrans50.2-25.3170.1-67.8-13.9000120.5L96N94-L96 PolarHBondContact O-N 2.92Å
95D54.8Low63.3Low144 Ų144107.9 Ų107.977%0.7752%0.518SS*.G310 helixtrans-77-23.1-178.1-89.8-32.1000113.4G93G93-D95 PolarHBondContact O-N 3.09Å
96L53.8Low61.4Low66 Ų66108.5 Ų108.535%0.34653%0.527SS..G310 helixtrans-81.7-11.5176.9-72.1179.7000114.6L92 N94 K98 K99 S100L92-L96 HydrophobicContact CB-CD1 3.68Å; L92-L96 HydrophobicContact CB-CG 4.4Å; L92-L96 HydrophobicContact CD1-CD1 3.87Å; L92-L96 HydrophobicContact CG-CD1 4.3Å; N94-L96 PolarHBondContact O-N 2.92Å; L96-K98 PolarHBondContact O-N 2.85Å; L96-K99 PolarHBondContact O-N 3.41Å; L96-S100 PolarHBondContact O-N 3.39Å
97N49.4Very low59.9Low120 Ų120115.4 Ų115.464%0.64255%0.549SS*.G310 helixtrans-62.6-14.8174.7-91.3-20.6000112.7
98K48.9Very low58.4Low192 Ų192117.3 Ų117.384%0.83556%0.563SS**G310 helixtrans-84.8-22.1169.6-81.4178.7177.7172.60114.8L96L96-K98 PolarHBondContact O-N 2.85Å
99K50.7Low56.8Low168 Ų168121.1 Ų121.173%0.7359%0.589SS**THydrogen-bonded Turntrans-106.3-15.3-178.2-73.1-176.1179.21750114.5L96 R101L96-K99 PolarHBondContact O-N 3.41Å; K99-R101 VanDerWaalsContact C-N 3.28Å; K99-R101 PolarHBondContact O-N 2.78Å
100S50.4Low55.1Low63 Ų63127.3 Ų127.344%0.44161%0.614SS.*G310 helixtrans-74.7-3.2-174.9-1620000115.8L96 K102 Y103L96-S100 PolarHBondContact O-N 3.39Å; S100-K102 PolarHBondContact O-N 2.94Å; S100-Y103 PolarHBondContact O-N 2.74Å
101R47.9Very low53.9Low201 Ų201123.5 Ų123.576%0.75860%0.603SS**G310 helixtrans-69.91.9173.4-67-171.3-168.5131.5-0.7114.4K99 Y103K99-R101 VanDerWaalsContact C-N 3.28Å; K99-R101 PolarHBondContact O-N 2.78Å; R101-Y103 VanDerWaalsContact C-N 3.28Å
102K50.2Low53Low197 Ų197119.5 Ų119.586%0.85759%0.588SS**G310 helixtrans-85.510.6171.9-85.9-170.3177.2-177.30114S100 C104S100-K102 PolarHBondContact O-N 2.94Å; K102-C104 PolarHBondContact O-N 3.3Å
103Y49.7Very low52.5Low75 Ų75119.8 Ų119.829%0.29459%0.59SS.*SBendtrans-70.394.2166.6-140.7-84.4000109.4K82 S100 R101 I115K82-Y103 HydrophobicContact CG-CE1 4.25Å; K82-Y103 VanDerWaalsContact CG-OH 3.3Å; K82-Y103 WeakPolarHBondContact CG-OH 3.39Å; S100-Y103 PolarHBondContact O-N 2.74Å; R101-Y103 VanDerWaalsContact C-N 3.28Å; Y103-I115 HydrophobicContact CD1-CD1 4.39Å; Y103-I115 HydrophobicContact CD2-CD1 3.81Å; Y103-I115 HydrophobicContact CE1-CD1 4.25Å; Y103-I115 HydrophobicContact CE2-CD1 3.66Å; Y103-I115 HydrophobicContact CE2-CG2 4.23Å; Y103-I115 HydrophobicContact CG-CD1 4.18Å
104C49.9Very low52.9Low56 Ų56126 Ų12638%0.37861%0.605SS.*  trans34.589.2165.7-116.70000116.4K102 S106 S111K102-C104 PolarHBondContact O-N 3.3Å; C104-S106 PolarHBondContact O-N 2.99Å; C104-S111 PolarHBondContact SG-OG 3.35Å; C104-S111 VanDerWaalsContact SG-OG 3.4Å
105R47.2Very low54.1Low228 Ų228120.9 Ų120.986%0.8658%0.578SS**  trans-76.4-1.5158.4-94.6-173.1166.7117.6-5.5113.2R107R105-R107 PolarHBondContact O-N 3.35Å
106S50.6Low55.5Low56 Ų56117.9 Ų117.939%0.39256%0.556SS.*  trans-65.8122174.9167.20000109.6C104 S108 S111C104-S106 PolarHBondContact O-N 2.99Å; S106-S108 PolarHBondContact O-N 3.37Å; S106-S108 VanDerWaalsContact OG-CB 3.26Å; S106-S108 WeakPolarHBondContact OG-CB 3.23Å; S106-S108 PolarHBondContact OG-N 3.23Å; S106-S111 WeakPolarHBondContact CB-OG 3.31Å; S106-S111 WeakPolarHBondContact OG-CB 3.24Å; S106-S111 PolarHBondContact OG-OG 2.71Å
107R56.2Low57.3Low252 Ų252114.8 Ų114.895%0.95154%0.539SS*.  trans-71.3-3.4167.5-74.1-179.9169.2175-3.7112.2R105 P109R105-R107 PolarHBondContact O-N 3.35Å; R107-P109 WeakPolarHBondContact O-CD 3.32Å
108S57.7Low59.2Low54 Ų54112.9 Ų112.938%0.37853%0.525SS..  trans-78.7119.2177.5179.30000110.4S106 F110 S111S106-S108 PolarHBondContact O-N 3.37Å; S106-S108 VanDerWaalsContact OG-CB 3.26Å; S106-S108 WeakPolarHBondContact OG-CB 3.23Å; S106-S108 PolarHBondContact OG-N 3.23Å; S108-F110 PolarHBondContact O-N 2.8Å; S108-F110 PolarHBondContact OG-N 2.95Å; S108-S111 PolarHBondContact O-N 3.18Å; S108-S111 PolarHBondContact O-OG 2.85Å
109P55.2Low61.3Low104 Ų104104.1 Ų104.168%0.67549%0.488SS*.THydrogen-bonded Turntrans-58.5-17.5172.1-16.728.8000112.9R107R107-P109 WeakPolarHBondContact O-CD 3.32Å
110F51.4Low63.3Low176 Ų17699.5 Ų99.577%0.77247%0.468SS*.THydrogen-bonded Turntrans-93.5-0.5-172.3-59.1-78.6000114.6S108S108-F110 PolarHBondContact O-N 2.8Å; S108-F110 PolarHBondContact OG-N 2.95Å
111S55.2Low65.3Low41 Ų4197.5 Ų97.529%0.28745%0.452SS..  trans-98.112.6-171.660.60000116C104 S106 S108 D113C104-S111 PolarHBondContact SG-OG 3.35Å; C104-S111 VanDerWaalsContact SG-OG 3.4Å; S106-S111 WeakPolarHBondContact CB-OG 3.31Å; S106-S111 WeakPolarHBondContact OG-CB 3.24Å; S106-S111 PolarHBondContact OG-OG 2.71Å; S108-S111 PolarHBondContact O-N 3.18Å; S108-S111 PolarHBondContact O-OG 2.85Å; S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.46Å
112C53.4Low67.5Low34 Ų3488.9 Ų88.923%0.2342%0.422CS..G310 helixtrans-82.11.5-173.861.90000115.6Q81 E114Q81-C112 PolarHBondContact NE2-O 2.9Å; C112-E114 PolarHBondContact O-N 3.23Å
113D57.7Low69.6Low92 Ų9284 Ų8449%0.49240%0.402SS..G310 helixtrans-83.9-8-168-75.9-35.6000115.8K77 S111K77-D113 IonicContact NZ-OD1 3.23Å; K77-D113 PolarHBondContact NZ-OD1 3.44Å; S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.46Å
114E66.4Low71.6Confident181 Ų18183.6 Ų83.685%0.84641%0.405SS*.G310 helixtrans-88.1-11.7-176.3-68.9-174178.400114.6C112C112-E114 PolarHBondContact O-N 3.23Å
115I80Confident73.7Confident38 Ų3889.1 Ų89.120%0.19543%0.429CS..SBendtrans-92.7123.1-176.3-56.3175.6000109.4Q81 Y103Q81-I115 PolarHBondContact NE2-O 3.24Å; Y103-I115 HydrophobicContact CD1-CD1 4.39Å; Y103-I115 HydrophobicContact CD2-CD1 3.81Å; Y103-I115 HydrophobicContact CE1-CD1 4.25Å; Y103-I115 HydrophobicContact CE2-CD1 3.66Å; Y103-I115 HydrophobicContact CE2-CG2 4.23Å; Y103-I115 HydrophobicContact CG-CD1 4.18Å
116W84.4Confident75.9Confident82 Ų8284.6 Ų84.631%0.31143%0.427SS..SBendtrans-75142170-72.491.3000110.3H85 K118 Y137 F138H85-W116 PolarHBondContact CD2-O 3.03Å; W116-K118 HydrophobicContact CD2-CG 4.37Å; W116-K118 HydrophobicContact CE3-CB 4.41Å; W116-K118 HydrophobicContact CE3-CG 4.02Å; W116-K118 HydrophobicContact CH2-CD 3.88Å; W116-K118 HydrophobicContact CH2-CG 4.24Å; W116-K118 HydrophobicContact CZ2-CD 4.17Å; W116-K118 HydrophobicContact CZ3-CB 4.22Å; W116-K118 HydrophobicContact CZ3-CD 4.07Å; W116-K118 HydrophobicContact CZ3-CG 3.95Å; W116-Y137 WeakPolarHBondContact CZ3-O 3.45Å; W116-F138 VanDerWaalsContact CE3-C 3.43Å; W116-F138 VanDerWaalsContact CZ3-C 3.41Å; W116-F138 WeakPolarHBondContact CZ3-O 3.45Å
117P90.7Very high78.1Confident0 Ų085.6 Ų85.60%043%0.43CS..SBendcis-83.2148.58.930.5-32.9000115Q81 L84 I119 Y137 F138Q81-P117 WeakPolarHBondContact CG-O 3.39Å; L84-P117 HydrophobicContact CB-CG 3.73Å; L84-P117 HydrophobicContact CD1-CG 4.47Å; P117-I119 HydrophobicContact CB-CD1 4.24Å; P117-I119 HydrophobicContact CG-CD1 4.11Å; P117-Y137 CarbonylContact C-O 3.53Å; P117-Y137 VanDerWaalsContact CA-O 3.29Å; P117-Y137 WeakPolarHBondContact CA-O 3.45Å; P117-Y137 VanDerWaalsContact CB-O 3.29Å; P117-Y137 WeakPolarHBondContact CB-O 3.27Å; P117-F138 HydrophobicContact CB-CD1 3.97Å; P117-F138 HydrophobicContact CB-CD2 4.42Å; P117-F138 HydrophobicContact CB-CE1 3.68Å; P117-F138 HydrophobicContact CB-CE2 4.14Å; P117-F138 HydrophobicContact CB-CG 4.33Å; P117-F138 HydrophobicContact CB-CZ 3.78Å; P117-F138 HydrophobicContact CG-CE1 3.94Å; P117-F138 HydrophobicContact CG-CZ 4Å
118K90.1Very high79.8Confident80 Ų8075.9 Ų75.935%0.34841%0.409SS..EExtended strand (participates in β ladder)trans-80.9129.2170.9-67.4-176.7-179.9-177.30109.6W116 Y137W116-K118 HydrophobicContact CD2-CG 4.37Å; W116-K118 HydrophobicContact CE3-CB 4.41Å; W116-K118 HydrophobicContact CE3-CG 4.02Å; W116-K118 HydrophobicContact CH2-CD 3.88Å; W116-K118 HydrophobicContact CH2-CG 4.24Å; W116-K118 HydrophobicContact CZ2-CD 4.17Å; W116-K118 HydrophobicContact CZ3-CB 4.22Å; W116-K118 HydrophobicContact CZ3-CD 4.07Å; W116-K118 HydrophobicContact CZ3-CG 3.95Å; K118-Y137 PolarHBondContact N-O 2.63Å; K118-Y137 WeakPolarHBondContact O-CD2 3.28Å; K118-Y137 PolarHBondContact O-N 3.2Å
119I92.2Very high81.5Confident9 Ų981.7 Ų81.75%0.04642%0.424CS..EExtended strand (participates in β ladder)trans-111.5131.9-174.2-55.1-55.6000111K77 L80 Q81 L84 P117 I121 A136K77-I119 WeakPolarHBondContact CE-O 2.96Å; K77-I119 HydrophobicContact CG-CB 3.85Å; K77-I119 HydrophobicContact CG-CG2 4.15Å; L80-I119 HydrophobicContact CB-CG2 4.41Å; L80-I119 HydrophobicContact CD2-CG2 3.66Å; L80-I119 HydrophobicContact CG-CD1 4.44Å; L80-I119 HydrophobicContact CG-CG2 4.1Å; Q81-I119 HydrophobicContact CB-CG1 3.83Å; Q81-I119 HydrophobicContact CG-CG1 4.44Å; L84-I119 HydrophobicContact CD1-CD1 3.55Å; P117-I119 HydrophobicContact CB-CD1 4.24Å; P117-I119 HydrophobicContact CG-CD1 4.11Å; I119-I121 HydrophobicContact CG2-CG1 4.15Å; I119-A136 HydrophobicContact CD1-CB 3.53Å
120H92Very high83.4Confident70 Ų7078.2 Ų78.232%0.32440%0.402SS..EExtended strand (participates in β ladder)trans-121.3103.2171.4-179.172.3000110.3F58 A134 F135 Y137F58-H120 HydrophobicContact CD2-CB 4.33Å; F58-H120 HydrophobicContact CE2-CB 3.9Å; F58-H120 AromaticContact CE2-ND1 3.86Å; H120-A134 CarbonylContact O-C 3.57Å; H120-A134 WeakPolarHBondContact O-CA 3.18Å; H120-A134 WeakPolarHBondContact O-CB 3.47Å; H120-F135 PolarHBondContact N-O 3.13Å; H120-F135 PolarHBondContact O-N 2.92Å; H120-Y137 HydrophobicContact CB-CE2 3.87Å
121I93.7Very high85.4Confident21 Ų2172.4 Ų72.411%0.10838%0.382CS..EExtended strand (participates in β ladder)trans-80.1129.4172.8-60.6174.8000108.3L71 K77 I119 H123 P130 A134L71-I121 HydrophobicContact CD2-CD1 4.42Å; L71-I121 HydrophobicContact CD2-CG1 4.36Å; K77-I121 HydrophobicContact CB-CD1 4.38Å; I119-I121 HydrophobicContact CG2-CG1 4.15Å; I121-H123 PolarHBondContact O-CE1 3.12Å; I121-H123 VanDerWaalsContact O-CE1 3.27Å; I121-H123 PolarHBondContact O-ND1 2.97Å; I121-P130 HydrophobicContact CG2-CB 4.14Å; I121-A134 HydrophobicContact CB-CB 4.42Å; I121-A134 HydrophobicContact CG1-CB 4Å
122V93.3Very high87.3Confident21 Ų2171 Ų7113%0.12737%0.373CS..EExtended strand (participates in β ladder)trans-86.9130.2180-176.10000110C131 Y133 F135V122-C131 PolarHBondContact O-N 2.92Å; V122-Y133 HydrophobicContact CB-CD2 4.07Å; V122-Y133 HydrophobicContact CB-CE1 4.11Å; V122-Y133 HydrophobicContact CB-CE2 3.62Å; V122-Y133 HydrophobicContact CG1-CE1 4.14Å; V122-Y133 HydrophobicContact CG1-CE2 3.98Å; V122-Y133 WeakPolarHBondContact CG1-OH 3.12Å; V122-Y133 HydrophobicContact CG2-CD2 3.86Å; V122-Y133 HydrophobicContact CG2-CE2 3.42Å; V122-Y133 VanDerWaalsContact CG2-CE2 3.42Å; V122-Y133 PolarHBondContact N-O 2.98Å; V122-F135 HydrophobicContact CG2-CD2 3.87Å; V122-F135 HydrophobicContact CG2-CE2 3.75Å
123H94.3Very high89.2Confident93 Ų9373 Ų7343%0.43138%0.377SS..EExtended strand (participates in β ladder)trans-111.4153.5179.2-58.981.5000110.1I121 I125 G128 Y129I121-H123 PolarHBondContact O-CE1 3.12Å; I121-H123 VanDerWaalsContact O-CE1 3.27Å; I121-H123 PolarHBondContact O-ND1 2.97Å; H123-I125 PolarHBondContact O-N 3.17Å; H123-G128 PolarHBondContact CD2-O 3.41Å; H123-Y129 CarbonylContact C-O 3.4Å; H123-Y129 WeakPolarHBondContact CA-O 3.24Å
124N93.3Very high91Very high67 Ų6768.6 Ų68.636%0.35835%0.353SS..  trans-67.1124.8169.3-177.3-29.5000107.8V126 T127 G128 Y129 C131N124-V126 PolarHBondContact O-N 3.23Å; N124-V126 PolarHBondContact OD1-N 3.1Å; N124-T127 VanDerWaalsContact CB-OG1 3.31Å; N124-T127 WeakPolarHBondContact CB-OG1 3.06Å; N124-T127 PolarHBondContact OD1-N 3.15Å; N124-G128 WeakPolarHBondContact O-CA 3.21Å; N124-G128 PolarHBondContact O-N 3.32Å; N124-Y129 PolarHBondContact N-O 3.25Å; N124-C131 PolarHBondContact N-SG 3.06Å
125I92.4Very high92.3Very high172 Ų17261.7 Ų61.788%0.88232%0.321SS*.THydrogen-bonded Turntrans-60.3-33.8-175.1-59.7168000111.2H123H123-I125 PolarHBondContact O-N 3.17Å
126V94.8Very high93Very high134 Ų13459.9 Ų59.981%0.81231%0.311SS*.THydrogen-bonded Turntrans-84.7-49.2-176.6-1770000111.1N124N124-V126 PolarHBondContact O-N 3.23Å; N124-V126 PolarHBondContact OD1-N 3.1Å
127T95.3Very high93.5Very high76 Ų7656.5 Ų56.547%0.46630%0.299SS..THydrogen-bonded Turntrans-93.8-11.4-170.668.50000114.1N124 Y129N124-T127 VanDerWaalsContact CB-OG1 3.31Å; N124-T127 WeakPolarHBondContact CB-OG1 3.06Å; N124-T127 PolarHBondContact OD1-N 3.15Å; T127-Y129 PolarHBondContact O-N 3.2Å; T127-Y129 PolarHBondContact OG1-N 3.27Å
128G93.1Very high93.6Very high49 Ų4956.6 Ų56.651%0.50530%0.299SS..  trans70.1-14.3-17400000115.2H123 N124H123-G128 PolarHBondContact CD2-O 3.41Å; N124-G128 WeakPolarHBondContact O-CA 3.21Å; N124-G128 PolarHBondContact O-N 3.32Å
129Y93.7Very high93.6Very high175 Ų17556.4 Ų56.469%0.68631%0.308SS*.  trans-64.6144.4177.5-71.1-65.4000112.9H123 N124 T127 C131H123-Y129 CarbonylContact C-O 3.4Å; H123-Y129 WeakPolarHBondContact CA-O 3.24Å; N124-Y129 PolarHBondContact N-O 3.25Å; T127-Y129 PolarHBondContact O-N 3.2Å; T127-Y129 PolarHBondContact OG1-N 3.27Å; Y129-C131 PolarHBondContact O-N 3.3Å
130P94.3Very high93.5Very high32 Ų3258.1 Ų58.121%0.20832%0.321CS..EExtended strand (participates in β ladder)trans-65.2135.1177.924.7-30.6000111.3Y73 I121 G132Y73-P130 HydrophobicContact CD1-CG 4.27Å; Y73-P130 VanDerWaalsContact CD1-O 3.23Å; Y73-P130 WeakPolarHBondContact CD1-O 3.43Å; Y73-P130 WeakPolarHBondContact CE1-O 3.36Å; Y73-P130 WeakPolarHBondContact O-CG 3.45Å; I121-P130 HydrophobicContact CG2-CB 4.14Å; P130-G132 PolarHBondContact O-N 3.32Å
131C93.6Very high93.6Very high54 Ų5458 Ų5837%0.36532%0.32SS..EExtended strand (participates in β ladder)trans-76.9-2.1-180-650000114V122 N124 Y129 Y133V122-C131 PolarHBondContact O-N 2.92Å; N124-C131 PolarHBondContact N-SG 3.06Å; Y129-C131 PolarHBondContact O-N 3.3Å; C131-Y133 HydrophobicContact CB-CD1 3.64Å; C131-Y133 HydrophobicContact CB-CE1 3.37Å
132G93.7Very high93.6Very high10 Ų1060 Ų6010%0.10334%0.336CS..EExtended strand (participates in β ladder)trans79.224.5-177.400000114.4R70 L71 P130R70-G132 PolarHBondContact N-O 3.39Å; R70-G132 VanDerWaalsContact N-O 3.14Å; L71-G132 PolarHBondContact N-O 3.41Å; L71-G132 VanDerWaalsContact O-CA 3.31Å; L71-G132 WeakPolarHBondContact O-CA 3.29Å; P130-G132 PolarHBondContact O-N 3.32Å
133Y95Very high93.6Very high77 Ų7760.9 Ų60.930%0.30234%0.34SS..EExtended strand (participates in β ladder)trans-147.9158.1169.169.7-83.2000111.7F67 V68 V122 C131 F135F67-Y133 HydrophobicContact CD2-CD2 4.43Å; F67-Y133 AromaticContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CG 4Å; F67-Y133 HydrophobicContact CZ-CG 4.49Å; V68-Y133 CarbonylContact O-C 3.55Å; V68-Y133 WeakPolarHBondContact O-CA 3Å; V68-Y133 VanDerWaalsContact O-CB 3.26Å; V68-Y133 WeakPolarHBondContact O-CB 3.43Å; V122-Y133 HydrophobicContact CB-CD2 4.07Å; V122-Y133 HydrophobicContact CB-CE1 4.11Å; V122-Y133 HydrophobicContact CB-CE2 3.62Å; V122-Y133 HydrophobicContact CG1-CE1 4.14Å; V122-Y133 HydrophobicContact CG1-CE2 3.98Å; V122-Y133 WeakPolarHBondContact CG1-OH 3.12Å; V122-Y133 HydrophobicContact CG2-CD2 3.86Å; V122-Y133 HydrophobicContact CG2-CE2 3.42Å; V122-Y133 VanDerWaalsContact CG2-CE2 3.42Å; V122-Y133 PolarHBondContact N-O 2.98Å; C131-Y133 HydrophobicContact CB-CD1 3.64Å; C131-Y133 HydrophobicContact CB-CE1 3.37Å; Y133-F135 HydrophobicContact CD2-CE2 4.12Å; Y133-F135 HydrophobicContact CD2-CZ 4.26Å; Y133-F135 AromaticContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CZ 4.01Å
134A95Very high93.6Very high0 Ų056.4 Ų56.40%032%0.319CS..EExtended strand (participates in β ladder)trans-143.1162.9-179.400000111.2V68 L71 L80 H120 I121V68-A134 HydrophobicContact CB-CB 4.21Å; V68-A134 PolarHBondContact N-O 3.22Å; V68-A134 PolarHBondContact O-N 3.09Å; L71-A134 HydrophobicContact CD2-CB 4.22Å; L80-A134 HydrophobicContact CD2-CB 3.78Å; H120-A134 CarbonylContact O-C 3.57Å; H120-A134 WeakPolarHBondContact O-CA 3.18Å; H120-A134 WeakPolarHBondContact O-CB 3.47Å; I121-A134 HydrophobicContact CB-CB 4.42Å; I121-A134 HydrophobicContact CG1-CB 4Å
135F94.4Very high93.6Very high36 Ų3658.2 Ų58.216%0.15833%0.326CS..EExtended strand (participates in β ladder)trans-115.3127168.9-61.9-76.4000109T65 I66 F67 H120 V122 Y133 Y137 Y186T65-F135 HydrophobicContact CG2-CB 4.2Å; T65-F135 HydrophobicContact CG2-CD1 4.32Å; I66-F135 WeakPolarHBondContact O-CA 3.38Å; F67-F135 HydrophobicContact CB-CE1 4.44Å; F67-F135 HydrophobicContact CD2-CD1 4.25Å; F67-F135 AromaticContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CZ 4.18Å; F67-F135 HydrophobicContact CE2-CE1 4.5Å; H120-F135 PolarHBondContact N-O 3.13Å; H120-F135 PolarHBondContact O-N 2.92Å; V122-F135 HydrophobicContact CG2-CD2 3.87Å; V122-F135 HydrophobicContact CG2-CE2 3.75Å; Y133-F135 HydrophobicContact CD2-CE2 4.12Å; Y133-F135 HydrophobicContact CD2-CZ 4.26Å; Y133-F135 AromaticContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CZ 4.01Å; F135-Y137 HydrophobicContact CB-CE2 3.97Å; F135-Y186 AromaticContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CE2 4.13Å; F135-Y186 AromaticContact CE1-CD2 3.46Å; F135-Y186 HydrophobicContact CE1-CD2 3.46Å; F135-Y186 VanDerWaalsContact CE1-CD2 3.46Å; F135-Y186 AromaticContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CZ-CD2 4.45Å; F135-Y186 HydrophobicContact CZ-CE2 4.12Å
136A94.4Very high93.6Very high0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-104.9121.4175.200000109.2T65 I66 V68 L84 I119 F138T65-A136 CarbonylContact C-O 3.6Å; T65-A136 WeakPolarHBondContact CA-O 3.49Å; I66-A136 HydrophobicContact CB-CB 4.41Å; I66-A136 PolarHBondContact N-O 3.15Å; I66-A136 PolarHBondContact O-N 3.09Å; V68-A136 HydrophobicContact CG2-CB 4.34Å; L84-A136 HydrophobicContact CD1-CB 3.52Å; I119-A136 HydrophobicContact CD1-CB 3.53Å; A136-F138 HydrophobicContact CB-CE2 3.93Å
137Y93.7Very high93.6Very high11 Ų1149 Ų494%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-99.9131.4178.4-56.3-91.1000108.8H56 F58 N59 T65 W116 P117 K118 H120 F135H56-Y137 HydrophobicContact CB-CE1 4.35Å; F58-Y137 HydrophobicContact CB-CD1 3.91Å; F58-Y137 HydrophobicContact CB-CD2 3.73Å; F58-Y137 HydrophobicContact CB-CE1 4.05Å; F58-Y137 HydrophobicContact CB-CE2 3.92Å; F58-Y137 HydrophobicContact CB-CG 3.73Å; F58-Y137 AromaticContact CD2-CD2 3.86Å; F58-Y137 HydrophobicContact CD2-CD2 3.86Å; F58-Y137 AromaticContact CD2-CE2 3.37Å; F58-Y137 HydrophobicContact CD2-CE2 3.37Å; F58-Y137 AromaticContact CD2-CZ 3.77Å; F58-Y137 HydrophobicContact CE2-CE2 4.28Å; F58-Y137 HydrophobicContact CG-CD2 4.11Å; F58-Y137 HydrophobicContact CG-CE2 4.03Å; N59-Y137 HydrophobicContact CB-CD1 3.9Å; T65-Y137 HydrophobicContact CG2-CD1 3.97Å; T65-Y137 HydrophobicContact CG2-CE1 3.86Å; T65-Y137 WeakPolarHBondContact OG1-CD1 3.26Å; W116-Y137 WeakPolarHBondContact CZ3-O 3.45Å; P117-Y137 CarbonylContact C-O 3.53Å; P117-Y137 VanDerWaalsContact CA-O 3.29Å; P117-Y137 WeakPolarHBondContact CA-O 3.45Å; P117-Y137 VanDerWaalsContact CB-O 3.29Å; P117-Y137 WeakPolarHBondContact CB-O 3.27Å; K118-Y137 PolarHBondContact N-O 2.63Å; K118-Y137 WeakPolarHBondContact O-CD2 3.28Å; K118-Y137 PolarHBondContact O-N 3.2Å; H120-Y137 HydrophobicContact CB-CE2 3.87Å; F135-Y137 HydrophobicContact CB-CE2 3.97Å
138F92.8Very high93.5Very high1 Ų146.4 Ų46.40%0.00425%0.248CC..  trans-106.7160.6175.9-69.9-94.3000110.2N59 A64 I66 L84 L88 W116 P117 A136 D143 A144 V147N59-F138 PolarHBondContact ND2-O 3.38Å; A64-F138 PolarHBondContact O-N 2.82Å; I66-F138 HydrophobicContact CB-CE2 4.19Å; I66-F138 HydrophobicContact CD1-CD2 4.12Å; I66-F138 HydrophobicContact CD1-CE2 3.42Å; I66-F138 VanDerWaalsContact CD1-CE2 3.42Å; I66-F138 HydrophobicContact CD1-CZ 3.95Å; I66-F138 HydrophobicContact CG1-CD2 4.18Å; I66-F138 HydrophobicContact CG1-CE2 3.78Å; L84-F138 HydrophobicContact CB-CZ 4.48Å; L88-F138 HydrophobicContact CD2-CD1 4.36Å; L88-F138 HydrophobicContact CD2-CE1 4.34Å; W116-F138 VanDerWaalsContact CE3-C 3.43Å; W116-F138 VanDerWaalsContact CZ3-C 3.41Å; W116-F138 WeakPolarHBondContact CZ3-O 3.45Å; P117-F138 HydrophobicContact CB-CD1 3.97Å; P117-F138 HydrophobicContact CB-CD2 4.42Å; P117-F138 HydrophobicContact CB-CE1 3.68Å; P117-F138 HydrophobicContact CB-CE2 4.14Å; P117-F138 HydrophobicContact CB-CG 4.33Å; P117-F138 HydrophobicContact CB-CZ 3.78Å; P117-F138 HydrophobicContact CG-CE1 3.94Å; P117-F138 HydrophobicContact CG-CZ 4Å; A136-F138 HydrophobicContact CB-CE2 3.93Å; F138-D143 HydrophobicContact CB-CB 4.14Å; F138-D143 HydrophobicContact CD1-CB 4Å; F138-D143 HydrophobicContact CG-CB 4.4Å; F138-A144 HydrophobicContact CB-CB 4.2Å; F138-A144 HydrophobicContact CD2-CB 3.89Å; F138-A144 HydrophobicContact CG-CB 4.11Å; F138-V147 HydrophobicContact CE1-CG2 3.66Å; F138-V147 HydrophobicContact CZ-CB 4.26Å; F138-V147 HydrophobicContact CZ-CG1 4.3Å; F138-V147 HydrophobicContact CZ-CG2 3.79Å
139S89.8Confident93.4Very high76 Ų7649 Ų4953%0.53124%0.243SC..SBendtrans-66.5-42.6176.5-171.80000110.7
140S91.2Very high93.2Very high46 Ų4640.8 Ų40.832%0.32221%0.211SC..SBendtrans-123.7153.5179.7-178.80000112.7S142 D143 A144S140-S142 PolarHBondContact O-N 2.8Å; S140-S142 PolarHBondContact OG-N 2.79Å; S140-D143 PolarHBondContact O-N 2.86Å; S140-A144 PolarHBondContact O-N 3.19Å
141E93.8Very high92.9Very high68 Ų6839.3 Ų39.332%0.31820%0.201SC..Hα-helixtrans-57.7-39.7167.7170.3175.917300111.1K63 D143 A144 E145K63-E141 HydrophobicContact CB-CB 4.31Å; K63-E141 HydrophobicContact CB-CG 3.77Å; K63-E141 HydrophobicContact CD-CG 4.24Å; K63-E141 WeakPolarHBondContact CD-OE1 3.46Å; K63-E141 VanDerWaalsContact CD-OE2 3.26Å; K63-E141 WeakPolarHBondContact CD-OE2 3.44Å; K63-E141 IonicContact NZ-OE1 3.77Å; K63-E141 PolarHBondContact NZ-OE1 2.65Å; K63-E141 IonicContact NZ-OE2 3.59Å; E141-D143 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 2.84Å; E141-A144 PolarHBondContact O-N 3.09Å; E141-E145 PolarHBondContact O-N 3.24Å
142S93.4Very high92.5Very high63 Ų6339.4 Ų39.444%0.44119%0.194SC..Hα-helixtrans-63.9-32.9179.8-52.30000112.5S140 R146S140-S142 PolarHBondContact O-N 2.8Å; S140-S142 PolarHBondContact OG-N 2.79Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 WeakPolarHBondContact O-CD 3.4Å; S142-R146 WeakPolarHBondContact O-CG 3.47Å; S142-R146 PolarHBondContact O-N 2.89Å
143D93.7Very high91.9Very high38 Ų3842.8 Ų42.820%0.20321%0.21CC..Hα-helixtrans-70.5-43.7176.3-66.7-23.8000110.9L88 F138 S140 E141 E145 R146 V147L88-D143 HydrophobicContact CD1-CB 3.67Å; L88-D143 WeakPolarHBondContact CD1-O 3.44Å; L88-D143 HydrophobicContact CD2-CB 4.45Å; F138-D143 HydrophobicContact CB-CB 4.14Å; F138-D143 HydrophobicContact CD1-CB 4Å; F138-D143 HydrophobicContact CG-CB 4.4Å; S140-D143 PolarHBondContact O-N 2.86Å; E141-D143 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 2.84Å; D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact O-N 3.36Å; D143-R146 WeakPolarHBondContact O-CB 3.24Å; D143-R146 PolarHBondContact O-N 3.39Å; D143-V147 WeakPolarHBondContact O-CG2 3.25Å; D143-V147 PolarHBondContact O-N 2.84Å
144A94.3Very high91Very high0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-60.6-43.9174.500000111.3I66 F138 S140 E141 V147 L148I66-A144 HydrophobicContact CD1-CB 4.22Å; I66-A144 WeakPolarHBondContact CD1-O 3.27Å; I66-A144 HydrophobicContact CG1-CB 4.05Å; F138-A144 HydrophobicContact CB-CB 4.2Å; F138-A144 HydrophobicContact CD2-CB 3.89Å; F138-A144 HydrophobicContact CG-CB 4.11Å; S140-A144 PolarHBondContact O-N 3.19Å; E141-A144 PolarHBondContact O-N 3.09Å; A144-V147 PolarHBondContact O-N 2.82Å; A144-L148 WeakPolarHBondContact O-CG 2.82Å; A144-L148 PolarHBondContact O-N 2.72Å
145E93.8Very high89.4Confident105 Ų10541.2 Ų41.249%0.49121%0.206SC..Hα-helixtrans-64.1-40.9177-166.8-168.7165.800112.2E141 D143 V147 L148 R149E141-E145 PolarHBondContact O-N 3.24Å; D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact O-N 3.36Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.67Å; E145-L148 PolarHBondContact O-N 3.49Å; E145-R149 WeakPolarHBondContact O-CB 3.47Å; E145-R149 PolarHBondContact O-N 2.95Å; E145-R149 IonicContact OE1-NH1 3.34Å
146R92.8Very high87.7Confident113 Ų11344.6 Ų44.643%0.42623%0.23SC..Hα-helixtrans-57.3-45.2174.5-78.5166.8-176.9-163.50.9111.3L88 S142 D143 R149 A150L88-R146 HydrophobicContact CD1-CB 4.3Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 WeakPolarHBondContact O-CD 3.4Å; S142-R146 WeakPolarHBondContact O-CG 3.47Å; S142-R146 PolarHBondContact O-N 2.89Å; D143-R146 WeakPolarHBondContact O-CB 3.24Å; D143-R146 PolarHBondContact O-N 3.39Å; R146-R149 PolarHBondContact O-N 3.24Å; R146-A150 VanDerWaalsContact O-CB 3.27Å; R146-A150 WeakPolarHBondContact O-CB 3.45Å; R146-A150 PolarHBondContact O-N 2.87Å
147V93.7Very high85.7Confident0 Ų050.4 Ų50.40%027%0.265CS..Hα-helixtrans-63.7-47177.4170.90000111.3I66 L84 L87 L88 F138 D143 A144 E145 R149 A150 W151 L183I66-V147 HydrophobicContact CD1-CB 3.82Å; I66-V147 HydrophobicContact CD1-CG1 3.66Å; L84-V147 HydrophobicContact CD2-CG1 4.12Å; L87-V147 HydrophobicContact CB-CG1 4.28Å; L87-V147 HydrophobicContact CD1-CG1 4.42Å; L88-V147 HydrophobicContact CB-CG2 3.67Å; L88-V147 HydrophobicContact CD1-CG2 3.93Å; L88-V147 HydrophobicContact CG-CG2 4.39Å; F138-V147 HydrophobicContact CE1-CG2 3.66Å; F138-V147 HydrophobicContact CZ-CB 4.26Å; F138-V147 HydrophobicContact CZ-CG1 4.3Å; F138-V147 HydrophobicContact CZ-CG2 3.79Å; D143-V147 WeakPolarHBondContact O-CG2 3.25Å; D143-V147 PolarHBondContact O-N 2.84Å; A144-V147 PolarHBondContact O-N 2.82Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.67Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.85Å; V147-A150 PolarHBondContact O-N 3.25Å; V147-W151 VanDerWaalsContact O-CB 3.26Å; V147-W151 WeakPolarHBondContact O-CB 3.42Å; V147-W151 PolarHBondContact O-N 3.17Å; V147-L183 HydrophobicContact CG1-CD1 4.39Å
148L92.9Very high83.7Confident20 Ų2053.2 Ų53.211%0.10529%0.286CS..Hα-helixtrans-62.2-39.5178.3-71.6169.5000112.4I66 A144 E145 R152 L183 P185I66-L148 HydrophobicContact CD1-CD1 4.49Å; I66-L148 HydrophobicContact CD1-CD2 4.17Å; I66-L148 HydrophobicContact CD1-CG 3.84Å; I66-L148 HydrophobicContact CG1-CD1 4.35Å; I66-L148 HydrophobicContact CG1-CD2 4.34Å; I66-L148 HydrophobicContact CG1-CG 4.16Å; I66-L148 HydrophobicContact CG2-CD2 4.17Å; A144-L148 WeakPolarHBondContact O-CG 2.82Å; A144-L148 PolarHBondContact O-N 2.72Å; E145-L148 PolarHBondContact O-N 3.49Å; L148-R152 VanDerWaalsContact O-CG 3.29Å; L148-R152 WeakPolarHBondContact O-CG 3.44Å; L148-R152 PolarHBondContact O-N 3.28Å; L148-L183 HydrophobicContact CD2-CB 4.42Å; L148-P185 HydrophobicContact CD1-CB 4.32Å; L148-P185 HydrophobicContact CD1-CG 3.85Å
149R90.7Very high81.5Confident104 Ų10454.2 Ų54.239%0.39229%0.292SS..Hα-helixtrans-67.4-46.5175.5-179171.558-1180.7111.5E145 R146 V147 W151 R152 N153E145-R149 WeakPolarHBondContact O-CB 3.47Å; E145-R149 PolarHBondContact O-N 2.95Å; E145-R149 IonicContact OE1-NH1 3.34Å; R146-R149 PolarHBondContact O-N 3.24Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.85Å; R149-W151 VanDerWaalsContact C-N 3.26Å; R149-W151 PolarHBondContact O-N 3.22Å; R149-R152 PolarHBondContact O-N 3.14Å; R149-N153 WeakPolarHBondContact O-CB 3.42Å; R149-N153 PolarHBondContact O-N 3.45Å; R149-N153 PolarHBondContact O-ND2 3.24Å; R149-N153 PolarHBondContact O-OD1 2.83Å
150A89.4Confident79.4Confident2 Ų260.8 Ų60.82%0.01731%0.311CS..Hα-helixtrans-60.4-38.1176.200000111.8R146 V147 Q154R146-A150 VanDerWaalsContact O-CB 3.27Å; R146-A150 WeakPolarHBondContact O-CB 3.45Å; R146-A150 PolarHBondContact O-N 2.87Å; V147-A150 PolarHBondContact O-N 3.25Å; A150-Q154 VanDerWaalsContact O-CG 3.29Å; A150-Q154 WeakPolarHBondContact O-CG 3.48Å; A150-Q154 PolarHBondContact O-N 3.36Å; A150-Q154 PolarHBondContact O-NE2 2.9Å
151W88.7Confident77.2Confident1 Ų162.3 Ų62.30%0.00432%0.316CS..Hα-helixtrans-63.8-50.5174.2175.7-106.4000112.2L87 V147 R149 N153 Q154 T155 H170 C171 L173 V181 L183L87-W151 HydrophobicContact CD1-CE3 4.25Å; V147-W151 VanDerWaalsContact O-CB 3.26Å; V147-W151 WeakPolarHBondContact O-CB 3.42Å; V147-W151 PolarHBondContact O-N 3.17Å; R149-W151 VanDerWaalsContact C-N 3.26Å; R149-W151 PolarHBondContact O-N 3.22Å; W151-N153 VanDerWaalsContact C-N 3.33Å; W151-N153 PolarHBondContact O-N 3.16Å; W151-Q154 WeakPolarHBondContact O-CB 3.45Å; W151-Q154 PolarHBondContact O-N 3.2Å; W151-Q154 VanDerWaalsContact O-N 3.16Å; W151-T155 PolarHBondContact O-N 3.17Å; W151-H170 HydrophobicContact CZ2-CB 4.46Å; W151-C171 WeakPolarHBondContact CH2-O 3.26Å; W151-C171 VanDerWaalsContact CZ3-O 3.32Å; W151-C171 WeakPolarHBondContact CZ3-O 3.42Å; W151-L173 HydrophobicContact CZ3-CB 4.23Å; W151-V181 WeakPolarHBondContact CZ2-O 3.46Å; W151-L183 HydrophobicContact CB-CD1 4.14Å; W151-L183 HydrophobicContact CD2-CB 4.09Å; W151-L183 HydrophobicContact CD2-CD1 3.66Å; W151-L183 HydrophobicContact CD2-CG 3.9Å; W151-L183 HydrophobicContact CE3-CD1 3.71Å; W151-L183 HydrophobicContact CE3-CG 4.23Å; W151-L183 HydrophobicContact CG-CB 3.92Å; W151-L183 HydrophobicContact CG-CD1 3.86Å; W151-L183 HydrophobicContact CG-CG 4.19Å; W151-L183 HydrophobicContact CZ2-CG 4.45Å; W151-L183 HydrophobicContact CZ3-CD1 4.38Å
152R84.5Confident74.8Confident57 Ų5769.1 Ų69.122%0.21535%0.347CS..Hα-helixtrans-60.5-42178.1-73.2170.6-175.6-162-3.9112.5H18 L148 R149 Q154 T155 T156H18-R152 PolarHBondContact CD2-NH2 3.06Å; H18-R152 PolarHBondContact CE1-NH1 3.26Å; H18-R152 PolarHBondContact NE2-NH1 3.39Å; H18-R152 PolarHBondContact NE2-NH2 3.47Å; L148-R152 VanDerWaalsContact O-CG 3.29Å; L148-R152 WeakPolarHBondContact O-CG 3.44Å; L148-R152 PolarHBondContact O-N 3.28Å; R149-R152 PolarHBondContact O-N 3.14Å; R152-Q154 PolarHBondContact O-N 3.14Å; R152-T155 WeakPolarHBondContact O-CB 3.46Å; R152-T155 PolarHBondContact O-N 3.45Å; R152-T155 VanDerWaalsContact O-N 3.1Å; R152-T156 PolarHBondContact O-N 3.47Å; R152-T156 PolarHBondContact O-OG1 3.37Å
153N82.2Confident72.7Confident81 Ų8170.7 Ų70.743%0.43336%0.357SS..Hα-helixtrans-63.9-31.4178.9-68.8-10.1000112.1R149 W151 T155 V157R149-N153 WeakPolarHBondContact O-CB 3.42Å; R149-N153 PolarHBondContact O-N 3.45Å; R149-N153 PolarHBondContact O-ND2 3.24Å; R149-N153 PolarHBondContact O-OD1 2.83Å; W151-N153 VanDerWaalsContact C-N 3.33Å; W151-N153 PolarHBondContact O-N 3.16Å; N153-T155 VanDerWaalsContact C-N 3.35Å; N153-V157 WeakPolarHBondContact O-CG2 3.41Å
154Q75.4Confident70.3Confident28 Ų2872.4 Ų72.413%0.13138%0.383CS..Hα-helixtrans-67.7-36.8173.8-73169.534.100112.2K90 A150 W151 R152 C171K90-Q154 VanDerWaalsContact CD-NE2 3.33Å; K90-Q154 VanDerWaalsContact NZ-CG 3.3Å; A150-Q154 VanDerWaalsContact O-CG 3.29Å; A150-Q154 WeakPolarHBondContact O-CG 3.48Å; A150-Q154 PolarHBondContact O-N 3.36Å; A150-Q154 PolarHBondContact O-NE2 2.9Å; W151-Q154 WeakPolarHBondContact O-CB 3.45Å; W151-Q154 PolarHBondContact O-N 3.2Å; W151-Q154 VanDerWaalsContact O-N 3.16Å; R152-Q154 PolarHBondContact O-N 3.14Å; Q154-C171 HydrophobicContact CB-CB 4.25Å; Q154-C171 PolarHBondContact O-SG 3.06Å
155T62.6Low67.9Low15 Ų1578 Ų789%0.09241%0.413CS..Hα-helixtrans-64.9-38.3177.7-63.30000112.5W151 R152 N153 V157 H170W151-T155 PolarHBondContact O-N 3.17Å; R152-T155 WeakPolarHBondContact O-CB 3.46Å; R152-T155 PolarHBondContact O-N 3.45Å; R152-T155 VanDerWaalsContact O-N 3.1Å; N153-T155 VanDerWaalsContact C-N 3.35Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 3.37Å; T155-H170 WeakPolarHBondContact CG2-CD2 3.47Å
156T57.1Low65.6Low107 Ų10780.4 Ų80.466%0.65642%0.422SS*.Hα-helixtrans-70.3-25.5-175-51.50000113.7R152R152-T156 PolarHBondContact O-N 3.47Å; R152-T156 PolarHBondContact O-OG1 3.37Å
157V53.5Low63.4Low123 Ų12378.2 Ų78.275%0.74542%0.419SS*.Hα-helixtrans-79.3-26.4-170.8175.80000113.2N153 T155 T159N153-V157 WeakPolarHBondContact O-CG2 3.41Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 3.37Å; V157-T159 VanDerWaalsContact C-N 3.35Å; V157-T159 PolarHBondContact O-N 3.18Å
158S51.2Low61.4Low69 Ų6983.4 Ų83.448%0.48344%0.443SS..THydrogen-bonded Turntrans-84.15.2-167-63.80000116.4C171S158-C171 PolarHBondContact OG-SG 3.11Å
159T47.7Very low59.5Low22 Ų2290.5 Ų90.514%0.13547%0.468CS..  trans-130.132.7-160670000115.6V157 L161 D167V157-T159 VanDerWaalsContact C-N 3.35Å; V157-T159 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact C-N 3.3Å; T159-L161 PolarHBondContact O-N 3.31Å; T159-D167 WeakPolarHBondContact CB-O 3.25Å; T159-D167 WeakPolarHBondContact CG2-O 3.11Å
160K45.5Very low57.9Low214 Ų21487.3 Ų87.393%0.9346%0.458SS*.  trans-86.175.8153.8-77.4-173179.9178.90109.4
161L44.2Very low56.6Low79 Ų7989.3 Ų89.341%0.41447%0.471SS..  trans-74.3140.1163.7-73.8167.5000109.2T159 C163 G164 D167T159-L161 VanDerWaalsContact C-N 3.3Å; T159-L161 PolarHBondContact O-N 3.31Å; L161-C163 PolarHBondContact O-N 2.82Å; L161-G164 PolarHBondContact O-N 3.03Å; L161-D167 HydrophobicContact CD1-CB 3.75Å
162H43.5Very low55.9Low211 Ų21190.1 Ų90.198%0.97748%0.48SS*.THydrogen-bonded Turntrans-62.9-0.1-178.9-86.7-49.4000115.3
163C48.6Very low55.7Low95 Ų9587.8 Ų87.864%0.64247%0.472SS*.THydrogen-bonded Turntrans-109.310.6-176.560.50000115L161 L165L161-C163 PolarHBondContact O-N 2.82Å; C163-L165 PolarHBondContact O-N 3.23Å
164G43.3Very low55.6Low74 Ų7490.2 Ų90.276%0.76349%0.485SS*.SBendtrans69-5.5179.600000115L161L161-G164 PolarHBondContact O-N 3.03Å
165L45.6Very low55.9Low118 Ų11889.6 Ų89.662%0.61848%0.482SS*.  trans-87.8107.4173.2-160.669.2000108.8C163 D167C163-L165 PolarHBondContact O-N 3.23Å; L165-D167 PolarHBondContact O-N 3.3Å
166K45.8Very low56.5Low155 Ų15592.3 Ų92.367%0.67450%0.5SS*.  trans-74.190.8173.6-64.4-178.8-178.1-179.60108.9E168K166-E168 VanDerWaalsContact C-N 3.34Å; K166-E168 PolarHBondContact O-N 3.13Å
167D45.2Very low57.7Low68 Ų6892.8 Ų92.836%0.36450%0.498SS..  trans-69.996.2160.7-102.4-1.1000107.1T159 L161 L165 R169T159-D167 WeakPolarHBondContact CB-O 3.25Å; T159-D167 WeakPolarHBondContact CG2-O 3.11Å; L161-D167 HydrophobicContact CD1-CB 3.75Å; L165-D167 PolarHBondContact O-N 3.3Å; D167-R169 HydrophobicContact CB-CG 4.39Å; D167-R169 PolarHBondContact O-N 3.34Å; D167-R169 IonicContact OD2-CZ 2.69Å; D167-R169 IonicContact OD2-NE 3.94Å; D167-R169 PolarHBondContact OD2-NE 2.66Å; D167-R169 IonicContact OD2-NH2 2.93Å; D167-R169 PolarHBondContact OD2-NH2 2.73Å
168E52.3Low59Low109 Ų10987 Ų8751%0.50946%0.463SS..  trans-67.763.5172.9-66.6-177.7171.900111K166 H170K166-E168 VanDerWaalsContact C-N 3.34Å; K166-E168 PolarHBondContact O-N 3.13Å; E168-H170 PolarHBondContact O-N 2.85Å
169R53.2Low60.4Low168 Ų16889.5 Ų89.563%0.63447%0.471SS*.  trans-82.2113.1173.3-76.2-170.8-100.8166.2-6.2108.5D167 C171D167-R169 HydrophobicContact CB-CG 4.39Å; D167-R169 PolarHBondContact O-N 3.34Å; D167-R169 IonicContact OD2-CZ 2.69Å; D167-R169 IonicContact OD2-NE 3.94Å; D167-R169 PolarHBondContact OD2-NE 2.66Å; D167-R169 IonicContact OD2-NH2 2.93Å; D167-R169 PolarHBondContact OD2-NH2 2.73Å; R169-C171 PolarHBondContact O-N 3.28Å
170H56.9Low62.2Low38 Ų3895.6 Ų95.618%0.17650%0.496CS..PPolyproline II helixtrans-61.7136174-56.3164.1000108.9W151 T155 E168 G172 I217W151-H170 HydrophobicContact CZ2-CB 4.46Å; T155-H170 WeakPolarHBondContact CG2-CD2 3.47Å; E168-H170 PolarHBondContact O-N 2.85Å; H170-G172 PolarHBondContact O-N 3.27Å; H170-I217 WeakPolarHBondContact CE1-CG2 3.41Å; H170-I217 PolarHBondContact CE1-O 3.31Å; H170-I217 PolarHBondContact NE2-O 3.02Å
171C62.4Low64.4Low43 Ų4385.4 Ų85.429%0.29145%0.452SS..PPolyproline II helixtrans-60.7123.1160.1-57.30000106.4W151 Q154 S158 R169W151-C171 WeakPolarHBondContact CH2-O 3.26Å; W151-C171 VanDerWaalsContact CZ3-O 3.32Å; W151-C171 WeakPolarHBondContact CZ3-O 3.42Å; Q154-C171 HydrophobicContact CB-CB 4.25Å; Q154-C171 PolarHBondContact O-SG 3.06Å; S158-C171 PolarHBondContact OG-SG 3.11Å; R169-C171 PolarHBondContact O-N 3.28Å
172G73.1Confident66.7Low19 Ų1982.7 Ų82.720%0.19644%0.438CS..PPolyproline II helixtrans-56.3163.2176.600000112.4H170 G178H170-G172 PolarHBondContact O-N 3.27Å; G172-G178 WeakPolarHBondContact CA-O 3.48Å
173L80.7Confident69.1Low8 Ų872.7 Ų72.74%0.04239%0.391CS..PPolyproline II helixtrans-67.4143.2162.6-173.165.2000108.3L80 A83 L87 W151 I175 G178 V181L80-L173 HydrophobicContact CD1-CD2 3.45Å; L80-L173 VanDerWaalsContact CD1-CD2 3.45Å; A83-L173 HydrophobicContact CB-CD1 3.83Å; A83-L173 HydrophobicContact CB-CD2 4.02Å; A83-L173 HydrophobicContact CB-CG 3.77Å; L87-L173 HydrophobicContact CD1-CD1 3.33Å; L87-L173 HydrophobicContact CG-CD1 4.15Å; W151-L173 HydrophobicContact CZ3-CB 4.23Å; L173-I175 HydrophobicContact CB-CG1 4.29Å; L173-I175 HydrophobicContact CD2-CD1 4.27Å; L173-I175 HydrophobicContact CD2-CG1 4.47Å; L173-I175 HydrophobicContact CD2-CG2 4.06Å; L173-I175 HydrophobicContact CG-CG1 4.46Å; L173-I175 HydrophobicContact CG-CG2 4.12Å; L173-I175 PolarHBondContact O-N 2.98Å; L173-G178 PolarHBondContact N-O 3.5Å; L173-G178 VanDerWaalsContact N-O 3.11Å; L173-G178 WeakPolarHBondContact O-CA 3.14Å; L173-V181 HydrophobicContact CB-CB 4.09Å; L173-V181 HydrophobicContact CB-CG1 4.05Å; L173-V181 HydrophobicContact CB-CG2 4.41Å; L173-V181 HydrophobicContact CD2-CG1 4.26Å
174D80.1Confident71.3Confident132 Ų13268.5 Ų68.571%0.70636%0.362SS*.SBendtrans-72.171.2178.3-168.415000111.5
175I80.6Confident73.7Confident14 Ų1466 Ų667%0.07233%0.333CS..SBendtrans-140.8156.9175.465.1169.1000108L71 T75 C79 A83 L173 N177 G178 V181L71-I175 HydrophobicContact CD1-CD1 3.74Å; T75-I175 HydrophobicContact CG2-CD1 3.85Å; C79-I175 WeakPolarHBondContact SG-CG2 3.22Å; A83-I175 HydrophobicContact CB-CG2 3.69Å; L173-I175 HydrophobicContact CB-CG1 4.29Å; L173-I175 HydrophobicContact CD2-CD1 4.27Å; L173-I175 HydrophobicContact CD2-CG1 4.47Å; L173-I175 HydrophobicContact CD2-CG2 4.06Å; L173-I175 HydrophobicContact CG-CG1 4.46Å; L173-I175 HydrophobicContact CG-CG2 4.12Å; L173-I175 PolarHBondContact O-N 2.98Å; I175-N177 PolarHBondContact O-N 2.89Å; I175-G178 VanDerWaalsContact CG1-CA 3.44Å; I175-G178 WeakPolarHBondContact O-CA 3.38Å; I175-G178 PolarHBondContact O-N 3.27Å; I175-V181 HydrophobicContact CD1-CG2 3.9Å
176P76.8Confident76Confident73 Ų7361.6 Ų61.647%0.47431%0.308SS..THydrogen-bonded Turntrans-53.7126173-26.435.8000111.2P72 G178P72-P176 WeakPolarHBondContact CG-O 3.18Å; P176-G178 PolarHBondContact O-N 2.84Å
177N80.7Confident78.3Confident116 Ų11654.8 Ų54.862%0.6228%0.278SS*.THydrogen-bonded Turntrans57.227.5-175.3-605.7000114.4P72 I175 D179P72-N177 HydrophobicContact CB-CB 4.29Å; P72-N177 HydrophobicContact CG-CB 3.84Å; P72-N177 VanDerWaalsContact CG-O 3.28Å; P72-N177 WeakPolarHBondContact CG-O 3.48Å; I175-N177 PolarHBondContact O-N 2.89Å; N177-D179 PolarHBondContact O-N 3.37Å
178G81.7Confident80.5Confident1 Ų152.2 Ų52.21%0.0127%0.267CS..G310 helixtrans-71.8-5.5-17800000115.8G172 L173 I175 P176 K180 V181G172-G178 WeakPolarHBondContact CA-O 3.48Å; L173-G178 PolarHBondContact N-O 3.5Å; L173-G178 VanDerWaalsContact N-O 3.11Å; L173-G178 WeakPolarHBondContact O-CA 3.14Å; I175-G178 VanDerWaalsContact CG1-CA 3.44Å; I175-G178 WeakPolarHBondContact O-CA 3.38Å; I175-G178 PolarHBondContact O-N 3.27Å; P176-G178 PolarHBondContact O-N 2.84Å; G178-K180 PolarHBondContact O-N 3.16Å; G178-K180 VanDerWaalsContact O-N 3.07Å; G178-V181 VanDerWaalsContact O-CB 3.31Å; G178-V181 WeakPolarHBondContact O-CB 3.26Å; G178-V181 WeakPolarHBondContact O-CG2 3.48Å; G178-V181 PolarHBondContact O-N 3.14Å
179D81.4Confident82.2Confident122 Ų12248.7 Ų48.765%0.65226%0.261SS*.G310 helixtrans-54.7-31-175.7-56.2-31.8000114.3N177N177-D179 PolarHBondContact O-N 3.37Å
180K85.6Confident84.1Confident151 Ų15143 Ų4366%0.65724%0.244SC*.G310 helixtrans-99.5-3.3-175.5-64179.1-175.4171.70113.1R70 G178R70-K180 WeakPolarHBondContact CB-O 3.31Å; R70-K180 WeakPolarHBondContact CD-O 3.03Å; G178-K180 PolarHBondContact O-N 3.16Å; G178-K180 VanDerWaalsContact O-N 3.07Å
181V91.4Very high85.8Confident0 Ų041.7 Ų41.70%024%0.239CC..  trans-61.5142.3-178174.70000109.7V68 G69 L71 W151 L173 I175 G178 L183V68-V181 HydrophobicContact CG1-CG1 3.74Å; G69-V181 WeakPolarHBondContact O-CA 3.21Å; L71-V181 HydrophobicContact CD1-CG2 4.37Å; W151-V181 WeakPolarHBondContact CZ2-O 3.46Å; L173-V181 HydrophobicContact CB-CB 4.09Å; L173-V181 HydrophobicContact CB-CG1 4.05Å; L173-V181 HydrophobicContact CB-CG2 4.41Å; L173-V181 HydrophobicContact CD2-CG1 4.26Å; I175-V181 HydrophobicContact CD1-CG2 3.9Å; G178-V181 VanDerWaalsContact O-CB 3.31Å; G178-V181 WeakPolarHBondContact O-CB 3.26Å; G178-V181 WeakPolarHBondContact O-CG2 3.48Å; G178-V181 PolarHBondContact O-N 3.14Å; V181-L183 HydrophobicContact CG1-CD2 4.27Å
182I91.8Very high87.2Confident22 Ų2242.1 Ų42.111%0.11324%0.241CC..EExtended strand (participates in β ladder)trans-121.3134.8174.858.1172.5000109.3F67 V68 G69 R70 A218F67-I182 HydrophobicContact CE1-CD1 4.17Å; F67-I182 HydrophobicContact CE1-CG1 4.5Å; V68-I182 CarbonylContact C-O 3.52Å; V68-I182 WeakPolarHBondContact CA-O 3.36Å; G69-I182 VanDerWaalsContact CA-CG1 3.47Å; G69-I182 PolarHBondContact N-O 3.43Å; G69-I182 WeakPolarHBondContact O-CG1 3.31Å; G69-I182 PolarHBondContact O-N 3.46Å; R70-I182 HydrophobicContact CG-CD1 4.41Å; R70-I182 HydrophobicContact CG-CG1 4.39Å; I182-A218 HydrophobicContact CG2-CB 4.35Å
183L94.4Very high88.2Confident0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-113.7119.5172.4-58.1-176.4000109.3I66 F67 V68 L84 L87 V147 L148 W151 V181 I217I66-L183 HydrophobicContact CG2-CB 4.24Å; I66-L183 HydrophobicContact CG2-CD2 4.34Å; F67-L183 WeakPolarHBondContact O-CA 3.42Å; V68-L183 HydrophobicContact CB-CD2 4.1Å; V68-L183 HydrophobicContact CG1-CD2 3.85Å; V68-L183 HydrophobicContact CG2-CD2 3.69Å; L84-L183 HydrophobicContact CD2-CD1 3.86Å; L84-L183 HydrophobicContact CD2-CD2 4.1Å; L87-L183 HydrophobicContact CD1-CD1 3.79Å; V147-L183 HydrophobicContact CG1-CD1 4.39Å; L148-L183 HydrophobicContact CD2-CB 4.42Å; W151-L183 HydrophobicContact CB-CD1 4.14Å; W151-L183 HydrophobicContact CD2-CB 4.09Å; W151-L183 HydrophobicContact CD2-CD1 3.66Å; W151-L183 HydrophobicContact CD2-CG 3.9Å; W151-L183 HydrophobicContact CE3-CD1 3.71Å; W151-L183 HydrophobicContact CE3-CG 4.23Å; W151-L183 HydrophobicContact CG-CB 3.92Å; W151-L183 HydrophobicContact CG-CD1 3.86Å; W151-L183 HydrophobicContact CG-CG 4.19Å; W151-L183 HydrophobicContact CZ2-CG 4.45Å; W151-L183 HydrophobicContact CZ3-CD1 4.38Å; V181-L183 HydrophobicContact CG1-CD2 4.27Å; L183-I217 WeakPolarHBondContact O-CD1 3.49Å
184E93.9Very high88.9Confident8 Ų843.5 Ų43.54%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-132157.1179.7-75.4-80.4-157.500110.7I66 F67 F187 I217I66-E184 WeakPolarHBondContact CG2-O 3.47Å; F67-E184 HydrophobicContact CD1-CB 4.32Å; F67-E184 PolarHBondContact N-O 3.43Å; F67-E184 PolarHBondContact O-N 3.05Å; E184-F187 HydrophobicContact CB-CE2 3.93Å; E184-F187 HydrophobicContact CB-CZ 4.23Å; E184-F187 HydrophobicContact CG-CE2 4.16Å; E184-F187 WeakPolarHBondContact OE2-CZ 3.48Å; E184-I217 HydrophobicContact CG-CB 4.41Å; E184-I217 HydrophobicContact CG-CD1 3.96Å; E184-I217 HydrophobicContact CG-CG1 4.43Å; E184-I217 VanDerWaalsContact OE1-CB 3.24Å; E184-I217 WeakPolarHBondContact OE1-CB 3.4Å; E184-I217 WeakPolarHBondContact OE1-CG1 3.39Å; E184-I217 PolarHBondContact OE1-N 3.29Å; E184-I217 WeakPolarHBondContact OE2-CD1 3.31Å
185P94.4Very high89.6Confident22 Ų2239.5 Ų39.514%0.14322%0.22CC..EExtended strand (participates in β ladder)trans-54.2149.5165-1929.3000111.5L148 F187L148-P185 HydrophobicContact CD1-CB 4.32Å; L148-P185 HydrophobicContact CD1-CG 3.85Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 HydrophobicContact CB-CD1 4.16Å; P185-F187 HydrophobicContact CB-CE1 3.81Å; P185-F187 HydrophobicContact CB-CZ 4.46Å; P185-F187 HydrophobicContact CG-CE1 3.8Å; P185-F187 HydrophobicContact CG-CZ 4.19Å; P185-F187 PolarHBondContact O-N 3.25Å
186Y93.9Very high90.3Very high25 Ų2539.4 Ų39.410%0.09822%0.221CC..  trans-68.288170.8176.1-108.1000111.4H56 A62 T65 F135 G188 G189 T190H56-Y186 AromaticContact CE1-CD1 3.21Å; H56-Y186 WeakPolarHBondContact CE1-CD1 3.14Å; H56-Y186 AromaticContact CE1-CE1 3.03Å; H56-Y186 WeakPolarHBondContact CE1-CE1 3.4Å; H56-Y186 AromaticContact CE1-CZ 3.82Å; H56-Y186 AromaticContact NE2-CD1 3.83Å; H56-Y186 AromaticContact NE2-CE1 3.48Å; H56-Y186 WeakPolarHBondContact NE2-CE1 3.09Å; A62-Y186 HydrophobicContact CB-CD1 4.19Å; T65-Y186 HydrophobicContact CG2-CG 4.18Å; T65-Y186 VanDerWaalsContact O-CB 3.24Å; T65-Y186 WeakPolarHBondContact O-CB 3.26Å; T65-Y186 PolarHBondContact O-N 3.32Å; T65-Y186 VanDerWaalsContact O-N 3.09Å; F135-Y186 AromaticContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CE2 4.13Å; F135-Y186 AromaticContact CE1-CD2 3.46Å; F135-Y186 HydrophobicContact CE1-CD2 3.46Å; F135-Y186 VanDerWaalsContact CE1-CD2 3.46Å; F135-Y186 AromaticContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CZ-CD2 4.45Å; F135-Y186 HydrophobicContact CZ-CE2 4.12Å; Y186-G188 PolarHBondContact O-N 3.33Å; Y186-G189 VanDerWaalsContact CD1-N 3.28Å; Y186-G189 PolarHBondContact O-N 2.9Å; Y186-T190 VanDerWaalsContact C-OG1 3.26Å; Y186-T190 WeakPolarHBondContact O-CB 3.16Å; Y186-T190 WeakPolarHBondContact O-CG2 3.31Å; Y186-T190 PolarHBondContact O-N 2.92Å; Y186-T190 VanDerWaalsContact O-N 3.16Å; Y186-T190 PolarHBondContact O-OG1 3.25Å
187F93.7Very high91.1Very high12 Ų1239.8 Ų39.85%0.05321%0.213CC..Hα-helixtrans-63.7-24.8-176.6-62.7-45.8000114H18 E184 P185 G189 T190 L191 W194 L203H18-F187 HydrophobicContact CB-CD1 4.44Å; H18-F187 HydrophobicContact CB-CE1 3.55Å; H18-F187 HydrophobicContact CB-CZ 4.17Å; E184-F187 HydrophobicContact CB-CE2 3.93Å; E184-F187 HydrophobicContact CB-CZ 4.23Å; E184-F187 HydrophobicContact CG-CE2 4.16Å; E184-F187 WeakPolarHBondContact OE2-CZ 3.48Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 HydrophobicContact CB-CD1 4.16Å; P185-F187 HydrophobicContact CB-CE1 3.81Å; P185-F187 HydrophobicContact CB-CZ 4.46Å; P185-F187 HydrophobicContact CG-CE1 3.8Å; P185-F187 HydrophobicContact CG-CZ 4.19Å; P185-F187 PolarHBondContact O-N 3.25Å; F187-G189 PolarHBondContact O-N 2.77Å; F187-T190 PolarHBondContact O-N 2.74Å; F187-L191 HydrophobicContact CB-CB 3.98Å; F187-L191 HydrophobicContact CB-CD2 4.35Å; F187-L191 HydrophobicContact CD1-CB 3.85Å; F187-L191 HydrophobicContact CD1-CD2 3.83Å; F187-L191 HydrophobicContact CD1-CG 4.47Å; F187-L191 HydrophobicContact CE1-CD2 4.36Å; F187-L191 HydrophobicContact CG-CB 4.29Å; F187-L191 HydrophobicContact CG-CD2 4.11Å; F187-L191 PolarHBondContact O-N 2.69Å; F187-W194 HydrophobicContact CB-CD2 3.5Å; F187-W194 HydrophobicContact CB-CE3 3.47Å; F187-W194 VanDerWaalsContact CB-CE3 3.47Å; F187-W194 HydrophobicContact CB-CG 4.02Å; F187-W194 HydrophobicContact CB-CH2 4.14Å; F187-W194 HydrophobicContact CB-CZ2 4.18Å; F187-W194 HydrophobicContact CB-CZ3 3.79Å; F187-W194 HydrophobicContact CD2-CE3 4.17Å; F187-W194 AromaticContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CZ2 4.43Å; F187-W194 AromaticContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CG-CE3 4.06Å; F187-W194 HydrophobicContact CG-CH2 4.38Å; F187-W194 AromaticContact CG-CZ3 3.97Å; F187-W194 HydrophobicContact CG-CZ3 3.97Å; F187-W194 WeakPolarHBondContact O-CB 3.43Å; F187-L203 HydrophobicContact CD2-CD1 3.85Å; F187-L203 HydrophobicContact CE2-CD1 3.46Å; F187-L203 VanDerWaalsContact CE2-CD1 3.46Å; F187-L203 HydrophobicContact CZ-CD1 4.32Å
188G91.5Very high91.7Very high13 Ų1342.7 Ų42.713%0.13422%0.215CC..Hα-helixtrans-55.2-35.6179.200000114.1S53 Y186S53-G188 VanDerWaalsContact CB-O 3.31Å; S53-G188 WeakPolarHBondContact CB-O 3.41Å; S53-G188 PolarHBondContact OG-O 2.99Å; Y186-G188 PolarHBondContact O-N 3.33Å
189G88.5Confident92.3Very high36 Ų3644.7 Ų44.737%0.37123%0.225SC..Hα-helixtrans-117.2-8.1-179.700000114.4Y186 F187Y186-G189 VanDerWaalsContact CD1-N 3.28Å; Y186-G189 PolarHBondContact O-N 2.9Å; F187-G189 PolarHBondContact O-N 2.77Å
190T91.7Very high93Very high47 Ų4738.9 Ų38.929%0.28819%0.194SC..Hα-helixtrans-108.5-25.9-177.260.80000114.3A62 K63 Y186 F187 P192A62-T190 HydrophobicContact CB-CG2 3.84Å; A62-T190 WeakPolarHBondContact O-CG2 3.16Å; K63-T190 HydrophobicContact CB-CG2 4.29Å; K63-T190 HydrophobicContact CG-CG2 3.78Å; Y186-T190 VanDerWaalsContact C-OG1 3.26Å; Y186-T190 WeakPolarHBondContact O-CB 3.16Å; Y186-T190 WeakPolarHBondContact O-CG2 3.31Å; Y186-T190 PolarHBondContact O-N 2.92Å; Y186-T190 VanDerWaalsContact O-N 3.16Å; Y186-T190 PolarHBondContact O-OG1 3.25Å; F187-T190 PolarHBondContact O-N 2.74Å; T190-P192 WeakPolarHBondContact O-CD 3.38Å
191L93.1Very high93.4Very high11 Ų1131.7 Ų31.76%0.05816%0.163CC..SBendtrans-110.5107.3-175.2-172.760.6000110.3V17 Y23 F187 W194V17-L191 HydrophobicContact CG1-CD2 3.93Å; V17-L191 HydrophobicContact CG2-CD2 4.48Å; Y23-L191 HydrophobicContact CD2-CD2 4.09Å; Y23-L191 HydrophobicContact CG-CD2 4.4Å; F187-L191 HydrophobicContact CB-CB 3.98Å; F187-L191 HydrophobicContact CB-CD2 4.35Å; F187-L191 HydrophobicContact CD1-CB 3.85Å; F187-L191 HydrophobicContact CD1-CD2 3.83Å; F187-L191 HydrophobicContact CD1-CG 4.47Å; F187-L191 HydrophobicContact CE1-CD2 4.36Å; F187-L191 HydrophobicContact CG-CB 4.29Å; F187-L191 HydrophobicContact CG-CD2 4.11Å; F187-L191 PolarHBondContact O-N 2.69Å; L191-W194 HydrophobicContact CD2-CE3 4.25Å; L191-W194 VanDerWaalsContact O-CB 3.26Å; L191-W194 WeakPolarHBondContact O-CB 3.23Å; L191-W194 PolarHBondContact O-N 3.02Å
192P93.1Very high93.6Very high53 Ų5331.9 Ų31.934%0.34417%0.165SC..THydrogen-bonded Turntrans-53.8142.2174.2-26.235.1000111.8V5 G21 Y22 Y23 T190 W194V5-P192 HydrophobicContact CG2-CG 4.38Å; G21-P192 WeakPolarHBondContact O-CD 3.48Å; Y22-P192 HydrophobicContact CD2-CB 3.79Å; Y22-P192 HydrophobicContact CE2-CB 4.14Å; Y23-P192 WeakPolarHBondContact CB-O 3.39Å; Y23-P192 PolarHBondContact N-O 2.98Å; T190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-W194 PolarHBondContact O-N 2.87Å
193G93.7Very high93.8Very high17 Ų1732.8 Ų32.818%0.17517%0.17CC..THydrogen-bonded Turntrans81.9-8.6-178.200000114.8Y23 R195Y23-G193 WeakPolarHBondContact CD1-O 3.48Å; G193-R195 PolarHBondContact O-N 3.1Å; G193-R195 PolarHBondContact O-NH1 3.1Å
194W95.1Very high93.7Very high39 Ų3933 Ų3315%0.14817%0.171CC..  trans-50132.1-175.6176.8-103000113Y23 Y51 F187 L191 P192 L203Y23-W194 AromaticContact CD2-CE3 3.54Å; Y23-W194 HydrophobicContact CD2-CE3 3.54Å; Y23-W194 AromaticContact CD2-CZ3 3.86Å; Y23-W194 HydrophobicContact CD2-CZ3 3.86Å; Y23-W194 AromaticContact CE2-CE3 3.65Å; Y23-W194 HydrophobicContact CE2-CE3 3.65Å; Y23-W194 AromaticContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CG-CE3 4.09Å; Y51-W194 WeakPolarHBondContact CD1-O 3.45Å; Y51-W194 AromaticContact CE1-CD1 3.84Å; F187-W194 HydrophobicContact CB-CD2 3.5Å; F187-W194 HydrophobicContact CB-CE3 3.47Å; F187-W194 VanDerWaalsContact CB-CE3 3.47Å; F187-W194 HydrophobicContact CB-CG 4.02Å; F187-W194 HydrophobicContact CB-CH2 4.14Å; F187-W194 HydrophobicContact CB-CZ2 4.18Å; F187-W194 HydrophobicContact CB-CZ3 3.79Å; F187-W194 HydrophobicContact CD2-CE3 4.17Å; F187-W194 AromaticContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CZ2 4.43Å; F187-W194 AromaticContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CG-CE3 4.06Å; F187-W194 HydrophobicContact CG-CH2 4.38Å; F187-W194 AromaticContact CG-CZ3 3.97Å; F187-W194 HydrophobicContact CG-CZ3 3.97Å; F187-W194 WeakPolarHBondContact O-CB 3.43Å; L191-W194 HydrophobicContact CD2-CE3 4.25Å; L191-W194 VanDerWaalsContact O-CB 3.26Å; L191-W194 WeakPolarHBondContact O-CB 3.23Å; L191-W194 PolarHBondContact O-N 3.02Å; P192-W194 PolarHBondContact O-N 2.87Å; W194-L203 HydrophobicContact CH2-CD1 4.02Å; W194-L203 HydrophobicContact CH2-CG 3.92Å; W194-L203 HydrophobicContact CZ3-CD1 3.75Å; W194-L203 HydrophobicContact CZ3-CG 3.75Å
195R95.4Very high93.5Very high47 Ų4733.7 Ų33.718%0.17718%0.181CC..  trans-123.2124.1172.3-64.1-60.9-178.6-103.21.6109.7Y23 P25 A46 S49 G193 G201 G202Y23-R195 HydrophobicContact CE1-CB 3.99Å; Y23-R195 HydrophobicContact CE1-CG 4.4Å; P25-R195 HydrophobicContact CG-CG 4.37Å; A46-R195 HydrophobicContact CB-CB 4.39Å; A46-R195 HydrophobicContact CB-CG 4.37Å; S49-R195 VanDerWaalsContact O-CZ 3.25Å; S49-R195 PolarHBondContact O-NE 3.06Å; S49-R195 PolarHBondContact O-NH2 3.29Å; S49-R195 WeakPolarHBondContact OG-CD 3.5Å; S49-R195 PolarHBondContact OG-NE 2.97Å; G193-R195 PolarHBondContact O-N 3.1Å; G193-R195 PolarHBondContact O-NH1 3.1Å; R195-G201 CarbonylContact O-C 3.51Å; R195-G201 WeakPolarHBondContact O-CA 3.34Å; R195-G202 PolarHBondContact O-N 3.44Å
196P94.5Very high93.2Very high13 Ų1340.8 Ų40.88%0.08421%0.205CC..  trans-68.4162175.629.9-36.6000111.5Y51 R198 L199 G201Y51-P196 HydrophobicContact CD2-CG 3.8Å; Y51-P196 HydrophobicContact CE2-CG 3.93Å; Y51-P196 HydrophobicContact CG-CG 4.17Å; P196-R198 VanDerWaalsContact C-N 3.28Å; P196-R198 HydrophobicContact CB-CG 4.44Å; P196-R198 HydrophobicContact CG-CG 4.17Å; P196-R198 PolarHBondContact O-N 3.17Å; P196-R198 VanDerWaalsContact O-N 3.17Å; P196-L199 HydrophobicContact CG-CD1 4.06Å; P196-L199 HydrophobicContact CG-CG 4.13Å; P196-L199 PolarHBondContact O-N 3.36Å; P196-G201 PolarHBondContact O-N 2.8Å
197R94Very high92.8Very high80 Ų8047.6 Ų47.630%0.30224%0.235SC..G310 helixtrans-54.3-39.3-175.6-172.357.8173.4-151.4-10.3114.6L199 G200 G201 Q211R197-L199 PolarHBondContact O-N 2.67Å; R197-G200 WeakPolarHBondContact O-CA 3.39Å; R197-G200 PolarHBondContact O-N 3.45Å; R197-G201 WeakPolarHBondContact CD-O 3.12Å; R197-Q211 VanDerWaalsContact CZ-OE1 3.25Å; R197-Q211 PolarHBondContact NH1-O 2.86Å; R197-Q211 VanDerWaalsContact NH2-CG 3.35Å; R197-Q211 PolarHBondContact NH2-O 3.49Å
198R93.4Very high92.5Very high178 Ų17854.9 Ų54.967%0.67227%0.269SS*.G310 helixtrans-60.2-27178.266179.8177.2-99.40.1113.9P196 G200P196-R198 VanDerWaalsContact C-N 3.28Å; P196-R198 HydrophobicContact CB-CG 4.44Å; P196-R198 HydrophobicContact CG-CG 4.17Å; P196-R198 PolarHBondContact O-N 3.17Å; P196-R198 VanDerWaalsContact O-N 3.17Å; R198-G200 VanDerWaalsContact C-N 3.32Å
199L94.9Very high92.3Very high43 Ų4357.6 Ų57.623%0.22529%0.29CS..G310 helixtrans-91.84.9175.9-60.6-177.9000112.3R45 A46 Y51 P196 R197R45-L199 CarbonylContact C-O 3.46Å; A46-L199 WeakPolarHBondContact CA-O 3.37Å; A46-L199 PolarHBondContact N-O 3.23Å; A46-L199 VanDerWaalsContact N-O 3.15Å; Y51-L199 HydrophobicContact CD2-CD1 4.27Å; P196-L199 HydrophobicContact CG-CD1 4.06Å; P196-L199 HydrophobicContact CG-CG 4.13Å; P196-L199 PolarHBondContact O-N 3.36Å; R197-L199 PolarHBondContact O-N 2.67Å
200G94.3Very high92.2Very high0 Ų059.1 Ų59.10%031%0.306CS..THydrogen-bonded Turntrans97.9-7.6177.700000115.6A42 R197 R198 Q211 R213A42-G200 VanDerWaalsContact O-CA 3.29Å; A42-G200 WeakPolarHBondContact O-CA 3.1Å; R197-G200 WeakPolarHBondContact O-CA 3.39Å; R197-G200 PolarHBondContact O-N 3.45Å; R198-G200 VanDerWaalsContact C-N 3.32Å; G200-Q211 PolarHBondContact O-NE2 3.28Å; G200-Q211 VanDerWaalsContact O-NE2 3.1Å; G200-R213 PolarHBondContact O-NE 2.9Å; G200-R213 VanDerWaalsContact O-NE 3.1Å; G200-R213 PolarHBondContact O-NH2 2.82Å
201G95.7Very high92.1Very high0 Ų058.5 Ų58.50%030%0.3CS..  trans-84.4-129.817200000113.3Y23 R195 P196 R197Y23-G201 VanDerWaalsContact OH-C 3.22Å; Y23-G201 WeakPolarHBondContact OH-CA 3.37Å; R195-G201 CarbonylContact O-C 3.51Å; R195-G201 WeakPolarHBondContact O-CA 3.34Å; P196-G201 PolarHBondContact O-N 2.8Å; R197-G201 WeakPolarHBondContact CD-O 3.12Å
202G95.2Very high92Very high4 Ų459.7 Ų59.74%0.04131%0.306CS..  trans77.9-171.1-172.200000112.8Y23 R195 R213Y23-G202 PolarHBondContact OH-N 3.38Å; Y23-G202 PolarHBondContact OH-O 2.84Å; R195-G202 PolarHBondContact O-N 3.44Å; G202-R213 WeakPolarHBondContact O-CB 3.42Å
203L94.9Very high92.2Very high41 Ų4157.1 Ų57.122%0.21529%0.289CS..SBendtrans-133.8153.8176.8-64.4171.3000109.7V17 Y23 V28 F187 W194 F214V17-L203 HydrophobicContact CG1-CD1 3.92Å; V17-L203 HydrophobicContact CG1-CD2 4.02Å; Y23-L203 HydrophobicContact CE2-CD2 4.01Å; Y23-L203 HydrophobicContact CE2-CG 4.44Å; V28-L203 HydrophobicContact CB-CD2 4.38Å; V28-L203 HydrophobicContact CG1-CD2 4.03Å; F187-L203 HydrophobicContact CD2-CD1 3.85Å; F187-L203 HydrophobicContact CE2-CD1 3.46Å; F187-L203 VanDerWaalsContact CE2-CD1 3.46Å; F187-L203 HydrophobicContact CZ-CD1 4.32Å; W194-L203 HydrophobicContact CH2-CD1 4.02Å; W194-L203 HydrophobicContact CH2-CG 3.92Å; W194-L203 HydrophobicContact CZ3-CD1 3.75Å; W194-L203 HydrophobicContact CZ3-CG 3.75Å; L203-F214 WeakPolarHBondContact CD2-O 3.4Å
204G92.6Very high92.2Very high3 Ų357.2 Ų57.23%0.03129%0.285CS..BIsolated β-bridgetrans73.2-144.8-178.800000113.5R213G204-R213 CarbonylContact C-O 3.46Å; G204-R213 WeakPolarHBondContact CA-O 3.19Å; G204-R213 PolarHBondContact N-O 3.07Å; G204-R213 PolarHBondContact O-N 3.35Å
205G89.6Confident92.1Very high23 Ų2355.4 Ų55.424%0.23728%0.278CS..  trans112.3163.1-17300000112.7L212 R219G205-L212 WeakPolarHBondContact O-CD2 3.47Å; G205-R219 PolarHBondContact O-NH1 3.26Å
206R87.5Confident91.9Very high172 Ų17253.3 Ų53.365%0.64927%0.271SS*.  trans-98145.9174.8-64.5-174.3-176.7173.42.2109.5E208 A209 L212R206-E208 PolarHBondContact O-N 3.24Å; R206-A209 PolarHBondContact O-N 3.36Å; R206-A209 VanDerWaalsContact O-N 3.14Å; R206-L212 VanDerWaalsContact C-CD2 3.46Å; R206-L212 WeakPolarHBondContact O-CD2 3.38Å
207K85.5Confident91.6Very high168 Ų16853 Ų5373%0.7327%0.269SS*.G310 helixtrans-61.8-37.8-179.1-173.8-179.4176.5-174.40110.4A209 G210 L212K207-A209 PolarHBondContact O-N 3.21Å; K207-G210 PolarHBondContact O-N 2.96Å; K207-L212 HydrophobicContact CB-CD1 4.35Å; K207-L212 HydrophobicContact CG-CD1 4.42Å
208E88.8Confident91.3Very high165 Ų16550.6 Ų50.677%0.77127%0.266SS*.G310 helixtrans-60.6-26.6177.7-52.9114.7-125.800113.7R206 G210R206-E208 PolarHBondContact O-N 3.24Å; E208-G210 PolarHBondContact O-N 3.48Å
209A87.3Confident91.1Very high69 Ų6945.6 Ų45.657%0.5725%0.247SC*.G310 helixtrans-81.1-1.5-176.800000113.5R206 K207 Q211R206-A209 PolarHBondContact O-N 3.36Å; R206-A209 VanDerWaalsContact O-N 3.14Å; K207-A209 PolarHBondContact O-N 3.21Å; A209-Q211 PolarHBondContact O-N 2.89Å; A209-Q211 VanDerWaalsContact O-N 3.07Å
210G86.4Confident91Very high68 Ų6844.9 Ų44.970%0.70125%0.245SC*.THydrogen-bonded Turntrans68.93.8177.100000115.9K207 E208K207-G210 PolarHBondContact O-N 2.96Å; E208-G210 PolarHBondContact O-N 3.48Å
211Q88.3Confident90.9Very high34 Ų3445.2 Ų45.216%0.15925%0.246CC..  trans-134.1106179.4-173.8-167.32.900108.7A42 R197 G200 A209A42-Q211 HydrophobicContact CB-CG 4.31Å; R197-Q211 VanDerWaalsContact CZ-OE1 3.25Å; R197-Q211 PolarHBondContact NH1-O 2.86Å; R197-Q211 VanDerWaalsContact NH2-CG 3.35Å; R197-Q211 PolarHBondContact NH2-O 3.49Å; G200-Q211 PolarHBondContact O-NE2 3.28Å; G200-Q211 VanDerWaalsContact O-NE2 3.1Å; A209-Q211 PolarHBondContact O-N 2.89Å; A209-Q211 VanDerWaalsContact O-N 3.07Å
212L92.8Very high90.7Very high36 Ų3653.4 Ų53.419%0.18828%0.277CS..  trans-111.6140.4177.9-68.2-174.8000110.6G205 R206 K207 F214G205-L212 WeakPolarHBondContact O-CD2 3.47Å; R206-L212 VanDerWaalsContact C-CD2 3.46Å; R206-L212 WeakPolarHBondContact O-CD2 3.38Å; K207-L212 HydrophobicContact CB-CD1 4.35Å; K207-L212 HydrophobicContact CG-CD1 4.42Å; L212-F214 HydrophobicContact CB-CE2 4.11Å; L212-F214 HydrophobicContact CB-CZ 4.24Å; L212-F214 HydrophobicContact CD1-CZ 4.32Å
213R95.4Very high90.3Very high0 Ų061.8 Ų61.80%031%0.307CS..BIsolated β-bridgetrans-134.2141.3172.6-56.9-67.4174.1-113.94.1109.2V28 D40 I43 G200 G202 G204V28-R213 CarbonylContact O-C 3.39Å; V28-R213 WeakPolarHBondContact O-CA 3.45Å; D40-R213 IonicContact OD1-CZ 3.48Å; D40-R213 IonicContact OD1-NH2 2.94Å; D40-R213 PolarHBondContact OD1-NH2 3.33Å; D40-R213 IonicContact OD2-CZ 3.18Å; D40-R213 VanDerWaalsContact OD2-CZ 3.23Å; D40-R213 IonicContact OD2-NH1 3.63Å; D40-R213 PolarHBondContact OD2-NH1 3.01Å; D40-R213 IonicContact OD2-NH2 3.66Å; D40-R213 PolarHBondContact OD2-NH2 3.38Å; I43-R213 VanDerWaalsContact CG1-CZ 3.47Å; I43-R213 VanDerWaalsContact CG1-NH2 3.31Å; G200-R213 PolarHBondContact O-NE 2.9Å; G200-R213 VanDerWaalsContact O-NE 3.1Å; G200-R213 PolarHBondContact O-NH2 2.82Å; G202-R213 WeakPolarHBondContact O-CB 3.42Å; G204-R213 CarbonylContact C-O 3.46Å; G204-R213 WeakPolarHBondContact CA-O 3.19Å; G204-R213 PolarHBondContact N-O 3.07Å; G204-R213 PolarHBondContact O-N 3.35Å
214F94.2Very high89.8Confident19 Ų1961.8 Ų61.88%0.08331%0.31CS..  trans-117.2174.9-174.6-58-89.3000110.7V28 G29 S30 I31 L203 L212 R219 F221V28-F214 PolarHBondContact O-N 3.17Å; G29-F214 WeakPolarHBondContact O-CD2 3.43Å; G29-F214 WeakPolarHBondContact O-CE2 3.48Å; S30-F214 VanDerWaalsContact C-CD2 3.47Å; S30-F214 WeakPolarHBondContact O-CB 3.33Å; S30-F214 WeakPolarHBondContact O-CD2 3.42Å; S30-F214 WeakPolarHBondContact O-CG 3.31Å; I31-F214 HydrophobicContact CB-CD1 4.48Å; I31-F214 HydrophobicContact CB-CD2 4.45Å; I31-F214 HydrophobicContact CB-CE1 4.12Å; I31-F214 HydrophobicContact CB-CE2 4.06Å; I31-F214 HydrophobicContact CB-CZ 3.89Å; I31-F214 HydrophobicContact CD1-CE1 4.18Å; I31-F214 HydrophobicContact CD1-CZ 4.3Å; I31-F214 HydrophobicContact CG1-CD1 4.11Å; I31-F214 HydrophobicContact CG1-CE1 3.68Å; I31-F214 HydrophobicContact CG1-CZ 3.91Å; L203-F214 WeakPolarHBondContact CD2-O 3.4Å; L212-F214 HydrophobicContact CB-CE2 4.11Å; L212-F214 HydrophobicContact CB-CZ 4.24Å; L212-F214 HydrophobicContact CD1-CZ 4.32Å; F214-R219 CarbonylContact C-O 2.89Å; F214-R219 VanDerWaalsContact CA-O 3.25Å; F214-R219 WeakPolarHBondContact CA-O 3.39Å; F214-R219 HydrophobicContact CD1-CB 4.04Å; F214-F221 HydrophobicContact CB-CD1 3.57Å; F214-F221 HydrophobicContact CB-CE1 3.65Å
215G92.4Very high89.2Confident1 Ų170.9 Ų70.91%0.0135%0.349CS..SBendtrans83.57.9-17600000114.5Y16 V17 R219 F221Y16-G215 CarbonylContact C-O 3.6Å; Y16-G215 WeakPolarHBondContact CA-O 3.47Å; V17-G215 WeakPolarHBondContact CG1-O 3.35Å; V17-G215 PolarHBondContact N-O 2.88Å; G215-R219 PolarHBondContact N-O 2.82Å; G215-F221 VanDerWaalsContact CA-CE2 3.47Å
216G92Very high88.1Confident2 Ų274.1 Ų74.12%0.02137%0.368CS..BIsolated β-bridgetrans-105165.5170.700000111.6A218 R219 P220G216-A218 PolarHBondContact O-N 3.43Å; G216-R219 PolarHBondContact N-O 3.24Å; G216-R219 CarbonylContact O-C 3.57Å; G216-R219 PolarHBondContact O-N 3.15Å; G216-R219 VanDerWaalsContact O-O 3.08Å; G216-P220 WeakPolarHBondContact O-CA 3.18Å
217I89Confident86.9Confident7 Ų772.2 Ų72.24%0.03638%0.375CS..THydrogen-bonded Turntrans-53.9-39.7177.5-79.8169.6000111.7Y16 H170 L183 E184 R219Y16-I217 HydrophobicContact CD1-CG1 4.49Å; Y16-I217 HydrophobicContact CE1-CG1 4.15Å; H170-I217 WeakPolarHBondContact CE1-CG2 3.41Å; H170-I217 PolarHBondContact CE1-O 3.31Å; H170-I217 PolarHBondContact NE2-O 3.02Å; L183-I217 WeakPolarHBondContact O-CD1 3.49Å; E184-I217 HydrophobicContact CG-CB 4.41Å; E184-I217 HydrophobicContact CG-CD1 3.96Å; E184-I217 HydrophobicContact CG-CG1 4.43Å; E184-I217 VanDerWaalsContact OE1-CB 3.24Å; E184-I217 WeakPolarHBondContact OE1-CB 3.4Å; E184-I217 WeakPolarHBondContact OE1-CG1 3.39Å; E184-I217 PolarHBondContact OE1-N 3.29Å; E184-I217 WeakPolarHBondContact OE2-CD1 3.31Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.68Å
218A87.2Confident85.3Confident29 Ų2971.5 Ų71.524%0.2438%0.38CS..THydrogen-bonded Turntrans-70.3-24.6178.200000114.9I182 G216I182-A218 HydrophobicContact CG2-CB 4.35Å; G216-A218 PolarHBondContact O-N 3.43Å
219R90.1Very high83.2Confident74 Ų7468.6 Ų68.628%0.27937%0.369SS..BIsolated β-bridgetrans-151.581.1-179.5-64.3-164.899.2128.71.8107.7G205 F214 G215 G216 I217G205-R219 PolarHBondContact O-NH1 3.26Å; F214-R219 CarbonylContact C-O 2.89Å; F214-R219 VanDerWaalsContact CA-O 3.25Å; F214-R219 WeakPolarHBondContact CA-O 3.39Å; F214-R219 HydrophobicContact CD1-CB 4.04Å; G215-R219 PolarHBondContact N-O 2.82Å; G216-R219 PolarHBondContact N-O 3.24Å; G216-R219 CarbonylContact O-C 3.57Å; G216-R219 PolarHBondContact O-N 3.15Å; G216-R219 VanDerWaalsContact O-O 3.08Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.68Å
220P92.3Very high81.5Confident28 Ų2869.5 Ų69.518%0.18238%0.377CS..PPolyproline II helixtrans-63.5160.1175.825.9-32.8000109.6P15 Y16 G216P15-P220 HydrophobicContact CB-CB 3.97Å; P15-P220 CarbonylContact O-C 3.52Å; P15-P220 WeakPolarHBondContact O-CA 3.27Å; P15-P220 WeakPolarHBondContact O-CB 3.48Å; Y16-P220 HydrophobicContact CD1-CB 4.31Å; Y16-P220 HydrophobicContact CE1-CB 3.98Å; G216-P220 WeakPolarHBondContact O-CA 3.18Å
221F92.3Very high79.9Confident6 Ų669.1 Ų69.13%0.02636%0.363CS..PPolyproline II helixtrans-58.7145.9165.8-67.4-59.1000109.4W13 P15 V17 Y20 T27 V28 S30 I31 F214 G215W13-F221 HydrophobicContact CZ2-CB 4.35Å; W13-F221 WeakPolarHBondContact CZ2-O 3.25Å; P15-F221 PolarHBondContact O-N 3.35Å; V17-F221 HydrophobicContact CB-CE2 4.24Å; Y20-F221 HydrophobicContact CD2-CE2 4.46Å; Y20-F221 HydrophobicContact CE2-CD2 4.02Å; Y20-F221 AromaticContact CE2-CE2 3.92Å; Y20-F221 HydrophobicContact CE2-CE2 3.92Å; T27-F221 VanDerWaalsContact O-CE1 3.31Å; T27-F221 WeakPolarHBondContact O-CE1 2.84Å; V28-F221 HydrophobicContact CG1-CZ 4.16Å; S30-F221 WeakPolarHBondContact O-CE1 3.22Å; I31-F221 CarbonylContact O-C 3.5Å; I31-F221 VanDerWaalsContact O-CA 3.31Å; I31-F221 WeakPolarHBondContact O-CA 3.49Å; F214-F221 HydrophobicContact CB-CD1 3.57Å; F214-F221 HydrophobicContact CB-CE1 3.65Å; G215-F221 VanDerWaalsContact CA-CE2 3.47Å
222R90.4Very high78.2Confident172 Ų17273.3 Ų73.365%0.64939%0.386SS*.PPolyproline II helixtrans-84.7151.7165.5-68.7-168.8177.9178.4-4.1109.1W13 I31 D32 P224W13-R222 VanDerWaalsContact CZ2-C 3.47Å; W13-R222 PolarHBondContact NE1-O 3.01Å; I31-R222 HydrophobicContact CD1-CG 4.22Å; I31-R222 HydrophobicContact CG1-CB 4.24Å; I31-R222 HydrophobicContact CG1-CG 3.88Å; I31-R222 PolarHBondContact O-N 3.42Å; D32-R222 VanDerWaalsContact CA-O 3.24Å; D32-R222 WeakPolarHBondContact CA-O 3.29Å; D32-R222 VanDerWaalsContact CB-O 3.23Å; D32-R222 WeakPolarHBondContact CB-O 3.48Å; R222-P224 WeakPolarHBondContact O-CD 3.17Å
223R87.1Confident76Confident180 Ų18079.1 Ų79.168%0.67941%0.414SS*.PPolyproline II helixtrans-68.5128.5174.8-167177.1-175.7-139.31.1109W13W13-R223 HydrophobicContact CD2-CB 4.42Å; W13-R223 HydrophobicContact CD2-CG 4.24Å; W13-R223 HydrophobicContact CE3-CG 4.42Å; W13-R223 HydrophobicContact CH2-CB 4.28Å; W13-R223 HydrophobicContact CZ2-CB 4.04Å
224P85.1Confident73.9Confident41 Ų4185.9 Ų85.927%0.26645%0.446SS..PPolyproline II helixtrans-56.2145.8174.2-24.530.6000111D32 T34 R222 S226D32-P224 HydrophobicContact CB-CG 4.07Å; T34-P224 HydrophobicContact CG2-CB 4.27Å; T34-P224 HydrophobicContact CG2-CG 3.84Å; R222-P224 WeakPolarHBondContact O-CD 3.17Å; P224-S226 PolarHBondContact O-N 2.9Å
225F79.6Confident72Confident194 Ų19492.3 Ų92.385%0.85147%0.474SS*.PPolyproline II helixtrans-73.4119.6173.3-62.4-78.7000109.4V227F225-V227 PolarHBondContact O-N 3.23Å
226S66.3Low70.2Confident91 Ų91100.7 Ų100.764%0.63651%0.51SS*.  trans-71.1111.7169.1-57.30000108.8P224 N228P224-S226 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact O-N 3.49Å
227V61.8Low68.3Low133 Ų133104.6 Ų104.681%0.80653%0.533SS*.  trans-77.122.8-178-149.20000113F225 N229F225-V227 PolarHBondContact O-N 3.23Å; V227-N229 PolarHBondContact O-N 2.97Å; V227-N229 VanDerWaalsContact O-N 3.09Å
228N52.4Low66.7Low153 Ų153112.4 Ų112.482%0.81857%0.567SS**  trans-86.136-179.8-75.14.5000113.2S226S226-N228 PolarHBondContact O-N 3.49Å
229N45.9Very low65.2Low104 Ų104120.2 Ų120.256%0.55660%0.596SS**  trans-107.891173.9-86.7-1.7000109.2V227 S231 L232V227-N229 PolarHBondContact O-N 2.97Å; V227-N229 VanDerWaalsContact O-N 3.09Å; N229-S231 WeakPolarHBondContact CB-OG 3.43Å; N229-S231 PolarHBondContact O-N 3.24Å; N229-L232 PolarHBondContact O-N 3.26Å
230A50.4Low63.7Low87 Ų87125.1 Ų125.172%0.71962%0.622SS**G310 helixtrans-46.4-23.4158.900000112.1L232 M233A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.1Å; A230-M233 PolarHBondContact O-N 2.87Å
231S53.5Low61.7Low60 Ų60133 Ų13342%0.4265%0.648SS.*G310 helixtrans-70.1-1417760.10000116.2N229N229-S231 WeakPolarHBondContact CB-OG 3.43Å; N229-S231 PolarHBondContact O-N 3.24Å
232L52.6Low60.1Low123 Ų123144.4 Ų144.464%0.64471%0.709SS**G310 helixtrans-86.9-22.4175.8-138.978.8000113.1N229 A230N229-L232 PolarHBondContact O-N 3.26Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.1Å
233M46.8Very low58.5Low157 Ų157143 Ų14377%0.77371%0.712SS**Hα-helixtrans-77.8-37.2176.4-71.8-162.7158.300112.2A230 K235 K236A230-M233 PolarHBondContact O-N 2.87Å; M233-K235 VanDerWaalsContact C-N 3.26Å; M233-K235 PolarHBondContact O-N 3.25Å; M233-K236 PolarHBondContact O-N 2.98Å
234E51.8Low57Low143 Ų143141.1 Ų141.167%0.66871%0.714SS**Hα-helixtrans-63.8-27.5176.7-89.8-175.6151.900114.1T237E234-T237 PolarHBondContact O-OG1 2.96Å; E234-T237 VanDerWaalsContact O-OG1 3.12Å
235K53.4Low55.5Low154 Ų154146.6 Ų146.667%0.6774%0.738SS**Hα-helixtrans-76.7-23178.4-73.9-176.2178.4-1800113.2M233M233-K235 VanDerWaalsContact C-N 3.26Å; M233-K235 PolarHBondContact O-N 3.25Å
236K53.6Low54.1Low176 Ų176143.8 Ų143.877%0.76573%0.732SS**Hα-helixtrans-79.1-25.8175.9-77.3-172173.9-176.50112.9M233M233-K236 PolarHBondContact O-N 2.98Å
237T53.5Low53.3Low84 Ų84147.1 Ų147.152%0.51574%0.738SS.*THydrogen-bonded Turntrans-85.7-6.1-178.752.20000114.5E234E234-T237 PolarHBondContact O-OG1 2.96Å; E234-T237 VanDerWaalsContact O-OG1 3.12Å
238K55.1Low52.8Low172 Ų172148.1 Ų148.175%0.74873%0.733SS**THydrogen-bonded Turntrans-90.2-10.4177.1-83.7-173.6175.7179.80114.7
239F56.7Low52.8Low192 Ų192147.7 Ų147.784%0.84273%0.727SS**SBendtrans-10119.2179.3-84.4-80.8000113.9
240H57Low53.3Low178 Ų178151.1 Ų151.182%0.82474%0.74SS**SBendtrans-132.326.6179.6-123.447.9000113.9
241R51.6Low53.6Low194 Ų194156.4 Ų156.473%0.73274%0.742SS**  trans-131.387.8169.6-78-174.5-91.1-172.4-7.5107.1
242D57.2Low53.6Low244 Ų244165.2 Ų165.2100%1.30577%0.772SS**  trans-178.50143.4-79.9-20.8000108.4

Retrieved 242 of 242 residues in 265.5 ms (Link to these results)