A0A077ZRA1_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZRA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M85.3Confident94.6Very high100 Ų10078.3 Ų78.349%0.49336%0.358SS..  071.80-62.7-173.3-64.800111.1Y5 L130 D134M1-Y5 WeakPolarHBondContact O-CB 3.46Å; M1-Y5 PolarHBondContact O-N 3.4Å; M1-L130 WeakPolarHBondContact CG-O 3.46Å; M1-L130 HydrophobicContact SD-CD2 4.24Å; M1-D134 VanDerWaalsContact C-CG 3.47Å; M1-D134 WeakPolarHBondContact CA-OD1 3.43Å; M1-D134 WeakPolarHBondContact CA-OD2 3.3Å; M1-D134 HydrophobicContact CB-CB 4.22Å; M1-D134 WeakPolarHBondContact CB-OD1 3.42Å; M1-D134 HydrophobicContact CG-CB 4.07Å
2R90Very high94.8Very high227 Ų22772.3 Ų72.386%0.85733%0.331SS*.Hα-helixtrans-78.9-37.5-177.5-71.9-178.5179.71720.1111.4K6 D134R2-K6 WeakPolarHBondContact O-CB 3.4Å; R2-K6 PolarHBondContact O-N 3Å; R2-K6 VanDerWaalsContact O-N 3.11Å; R2-D134 PolarHBondContact N-OD1 3.09Å; R2-D134 PolarHBondContact N-OD2 3.13Å
3Q93Very high94.9Very high92 Ų9275.8 Ų75.843%0.4335%0.345SS..Hα-helixtrans-71.1-45.9-177-56.7-171.779.100110.9K6 Y7 D134 K138Q3-K6 PolarHBondContact O-N 3.28Å; Q3-Y7 PolarHBondContact O-N 3.27Å; Q3-D134 PolarHBondContact N-OD1 3.35Å; Q3-D134 PolarHBondContact N-OD2 3.42Å; Q3-K138 HydrophobicContact CB-CD 3.93Å
4T94.6Very high95Very high5 Ų571.1 Ų71.13%0.03133%0.327CS..Hα-helixtrans-58.7-48.9174.5-64.50000111.2K6 Y7 I8 D134 V137 K138 L141T4-K6 VanDerWaalsContact C-N 3.33Å; T4-K6 PolarHBondContact O-N 2.7Å; T4-Y7 PolarHBondContact O-N 2.91Å; T4-Y7 VanDerWaalsContact O-N 3.16Å; T4-I8 HydrophobicContact CG2-CD1 3.68Å; T4-I8 HydrophobicContact CG2-CG1 4.3Å; T4-I8 WeakPolarHBondContact O-CG1 3.27Å; T4-I8 PolarHBondContact O-N 2.85Å; T4-D134 VanDerWaalsContact CB-OD1 3.22Å; T4-D134 WeakPolarHBondContact CB-OD1 3.35Å; T4-D134 PolarHBondContact N-OD1 3.22Å; T4-D134 PolarHBondContact OG1-O 3.12Å; T4-D134 PolarHBondContact OG1-OD1 3.46Å; T4-V137 HydrophobicContact CG2-CG1 3.76Å; T4-K138 PolarHBondContact OG1-N 3.28Å; T4-L141 HydrophobicContact CG2-CD1 4.02Å
5Y95Very high95.2Very high110 Ų11068.3 Ų68.343%0.43132%0.316SS..Hα-helixtrans-56.9-46.2178.3176.9-88.8000112.2M1 T9 V16 F182M1-Y5 WeakPolarHBondContact O-CB 3.46Å; M1-Y5 PolarHBondContact O-N 3.4Å; Y5-T9 HydrophobicContact CD1-CG2 4.49Å; Y5-T9 HydrophobicContact CE1-CG2 4.06Å; Y5-T9 HydrophobicContact CE2-CG2 4.1Å; Y5-T9 WeakPolarHBondContact O-CG2 3.27Å; Y5-T9 PolarHBondContact O-N 3.43Å; Y5-T9 PolarHBondContact O-OG1 3.05Å; Y5-V16 HydrophobicContact CE2-CG2 4.23Å; Y5-F182 HydrophobicContact CD2-CD2 4.1Å; Y5-F182 AromaticContact CD2-CE2 3.48Å; Y5-F182 HydrophobicContact CD2-CE2 3.48Å; Y5-F182 VanDerWaalsContact CD2-CE2 3.48Å; Y5-F182 HydrophobicContact CD2-CZ 4.18Å; Y5-F182 HydrophobicContact CE2-CD2 4.29Å; Y5-F182 AromaticContact CE2-CE2 3.68Å; Y5-F182 HydrophobicContact CE2-CE2 3.68Å
6K97Very high95.4Very high139 Ų13965.4 Ų65.460%0.60430%0.304SS*.Hα-helixtrans-60.4-48.5177.2-174.5178.1178.8-177.70110.3R2 Q3 T4 I8 T9 T10R2-K6 WeakPolarHBondContact O-CB 3.4Å; R2-K6 PolarHBondContact O-N 3Å; R2-K6 VanDerWaalsContact O-N 3.11Å; Q3-K6 PolarHBondContact O-N 3.28Å; T4-K6 VanDerWaalsContact C-N 3.33Å; T4-K6 PolarHBondContact O-N 2.7Å; K6-I8 PolarHBondContact O-N 3.08Å; K6-T9 PolarHBondContact O-N 3.11Å; K6-T9 PolarHBondContact O-OG1 3.2Å; K6-T10 HydrophobicContact CG-CG2 4.13Å; K6-T10 WeakPolarHBondContact O-CB 3.47Å; K6-T10 WeakPolarHBondContact O-CG2 3.38Å; K6-T10 PolarHBondContact O-N 2.97Å; K6-T10 PolarHBondContact O-OG1 2.88Å
7Y97.8Very high95.5Very high26 Ų2661.7 Ų61.710%0.10229%0.287CS..Hα-helixtrans-60-47.7-179.5-169.9-97.2000112.6Q3 T4 T9 V11 L12 K138 L141 K142Q3-Y7 PolarHBondContact O-N 3.27Å; T4-Y7 PolarHBondContact O-N 2.91Å; T4-Y7 VanDerWaalsContact O-N 3.16Å; Y7-T9 PolarHBondContact O-N 3.28Å; Y7-V11 HydrophobicContact CD2-CB 3.91Å; Y7-V11 HydrophobicContact CD2-CG1 4.41Å; Y7-V11 HydrophobicContact CD2-CG2 3.65Å; Y7-V11 HydrophobicContact CE1-CB 4.43Å; Y7-V11 HydrophobicContact CE1-CG1 4.45Å; Y7-V11 HydrophobicContact CE2-CB 3.72Å; Y7-V11 HydrophobicContact CE2-CG1 3.71Å; Y7-V11 HydrophobicContact CE2-CG2 3.69Å; Y7-V11 HydrophobicContact CG-CB 4.33Å; Y7-V11 HydrophobicContact CG-CG2 4.39Å; Y7-V11 WeakPolarHBondContact O-CA 3.45Å; Y7-V11 WeakPolarHBondContact O-CB 3.41Å; Y7-V11 PolarHBondContact O-N 2.74Å; Y7-L12 HydrophobicContact CD1-CD1 4.07Å; Y7-L12 HydrophobicContact CD1-CD2 4.44Å; Y7-L12 HydrophobicContact CD1-CG 3.93Å; Y7-L12 HydrophobicContact CE1-CD1 3.98Å; Y7-L12 HydrophobicContact CE1-CD2 3.68Å; Y7-L12 HydrophobicContact CE1-CG 3.67Å; Y7-L12 PolarHBondContact O-N 2.83Å; Y7-L12 VanDerWaalsContact O-N 3.14Å; Y7-K138 HydrophobicContact CD2-CG 4.41Å; Y7-K138 HydrophobicContact CG-CG 4.05Å; Y7-L141 HydrophobicContact CD1-CB 4.27Å; Y7-L141 HydrophobicContact CE1-CB 4.26Å; Y7-K142 HydrophobicContact CE1-CB 4.09Å; Y7-K142 HydrophobicContact CE2-CB 4.15Å; Y7-K142 HydrophobicContact CE2-CG 4.18Å; Y7-K142 WeakPolarHBondContact OH-CA 3.25Å
8I97.4Very high95.4Very high0 Ų063.1 Ų63.10%029%0.294CS..Hα-helixtrans-55.8-50.7176.5-70.5171000110.7T4 K6 L12 K13 G14 L141 V157 F182 S184T4-I8 HydrophobicContact CG2-CD1 3.68Å; T4-I8 HydrophobicContact CG2-CG1 4.3Å; T4-I8 WeakPolarHBondContact O-CG1 3.27Å; T4-I8 PolarHBondContact O-N 2.85Å; K6-I8 PolarHBondContact O-N 3.08Å; I8-L12 HydrophobicContact CG1-CD1 4.38Å; I8-L12 CarbonylContact O-C 3.49Å; I8-L12 WeakPolarHBondContact O-CB 3.45Å; I8-K13 PolarHBondContact O-N 3.05Å; I8-G14 PolarHBondContact O-N 3.31Å; I8-L141 HydrophobicContact CD1-CD1 3.91Å; I8-L141 HydrophobicContact CG1-CD1 3.73Å; I8-V157 HydrophobicContact CD1-CB 4.13Å; I8-V157 HydrophobicContact CD1-CG1 3.98Å; I8-V157 HydrophobicContact CD1-CG2 4.17Å; I8-F182 HydrophobicContact CD1-CE1 4.01Å; I8-F182 HydrophobicContact CD1-CZ 4.08Å; I8-F182 HydrophobicContact CG2-CZ 4.43Å; I8-S184 WeakPolarHBondContact CG2-OG 3.41Å
9T97Very high95.3Very high39 Ų3966.2 Ų66.224%0.23931%0.306CS..Hα-helixtrans-76.8-36.1-172.953.40000113.1Y5 K6 Y7 V16Y5-T9 HydrophobicContact CD1-CG2 4.49Å; Y5-T9 HydrophobicContact CE1-CG2 4.06Å; Y5-T9 HydrophobicContact CE2-CG2 4.1Å; Y5-T9 WeakPolarHBondContact O-CG2 3.27Å; Y5-T9 PolarHBondContact O-N 3.43Å; Y5-T9 PolarHBondContact O-OG1 3.05Å; K6-T9 PolarHBondContact O-N 3.11Å; K6-T9 PolarHBondContact O-OG1 3.2Å; Y7-T9 PolarHBondContact O-N 3.28Å; T9-V16 HydrophobicContact CG2-CG2 3.72Å
10T96.9Very high95.4Very high67 Ų6763 Ų6341%0.41129%0.291SS..Hα-helixtrans-94.9-38.4-173.767.90000113.9K6 K13K6-T10 HydrophobicContact CG-CG2 4.13Å; K6-T10 WeakPolarHBondContact O-CB 3.47Å; K6-T10 WeakPolarHBondContact O-CG2 3.38Å; K6-T10 PolarHBondContact O-N 2.97Å; K6-T10 PolarHBondContact O-OG1 2.88Å; T10-K13 WeakPolarHBondContact O-CD 3.33Å; T10-K13 VanDerWaalsContact O-CE 3.24Å; T10-K13 WeakPolarHBondContact O-CE 3.47Å; T10-K13 PolarHBondContact O-NZ 2.94Å
11V96.7Very high95.3Very high56 Ų5660.1 Ų60.134%0.33928%0.278SS..THydrogen-bonded Turntrans-95.3-59.5-176.5-176.40000110.1Y7 K13 Y145Y7-V11 HydrophobicContact CD2-CB 3.91Å; Y7-V11 HydrophobicContact CD2-CG1 4.41Å; Y7-V11 HydrophobicContact CD2-CG2 3.65Å; Y7-V11 HydrophobicContact CE1-CB 4.43Å; Y7-V11 HydrophobicContact CE1-CG1 4.45Å; Y7-V11 HydrophobicContact CE2-CB 3.72Å; Y7-V11 HydrophobicContact CE2-CG1 3.71Å; Y7-V11 HydrophobicContact CE2-CG2 3.69Å; Y7-V11 HydrophobicContact CG-CB 4.33Å; Y7-V11 HydrophobicContact CG-CG2 4.39Å; Y7-V11 WeakPolarHBondContact O-CA 3.45Å; Y7-V11 WeakPolarHBondContact O-CB 3.41Å; Y7-V11 PolarHBondContact O-N 2.74Å; V11-K13 PolarHBondContact O-N 2.71Å; V11-Y145 HydrophobicContact CG1-CD1 4.3Å; V11-Y145 HydrophobicContact CG1-CE1 4.11Å
12L96.6Very high95.7Very high7 Ų755.5 Ų55.54%0.03726%0.255CS..SBendtrans-71.3-12.6-179.7-54-176.1000112.9Y7 I8 G14 L141 Y145 L150 V186Y7-L12 HydrophobicContact CD1-CD1 4.07Å; Y7-L12 HydrophobicContact CD1-CD2 4.44Å; Y7-L12 HydrophobicContact CD1-CG 3.93Å; Y7-L12 HydrophobicContact CE1-CD1 3.98Å; Y7-L12 HydrophobicContact CE1-CD2 3.68Å; Y7-L12 HydrophobicContact CE1-CG 3.67Å; Y7-L12 PolarHBondContact O-N 2.83Å; Y7-L12 VanDerWaalsContact O-N 3.14Å; I8-L12 HydrophobicContact CG1-CD1 4.38Å; I8-L12 CarbonylContact O-C 3.49Å; I8-L12 WeakPolarHBondContact O-CB 3.45Å; L12-G14 PolarHBondContact O-N 3.4Å; L12-L141 HydrophobicContact CD1-CB 4.31Å; L12-L141 HydrophobicContact CD1-CD1 4.48Å; L12-Y145 HydrophobicContact CD2-CD1 4.36Å; L12-Y145 HydrophobicContact CD2-CD2 3.62Å; L12-Y145 HydrophobicContact CD2-CE2 4.4Å; L12-Y145 HydrophobicContact CD2-CG 3.59Å; L12-L150 HydrophobicContact CD1-CD1 4.43Å; L12-L150 HydrophobicContact CD2-CD1 3.88Å; L12-V186 HydrophobicContact CB-CG1 4.13Å; L12-V186 HydrophobicContact CB-CG2 3.88Å; L12-V186 HydrophobicContact CD1-CG2 4.28Å
13K96.1Very high95.8Very high118 Ų11845.3 Ų45.351%0.51322%0.217SC..  trans52.837.5-175-52.2-59.6-174.7-168.70111.4I8 T10 V11 R192I8-K13 PolarHBondContact O-N 3.05Å; T10-K13 WeakPolarHBondContact O-CD 3.33Å; T10-K13 VanDerWaalsContact O-CE 3.24Å; T10-K13 WeakPolarHBondContact O-CE 3.47Å; T10-K13 PolarHBondContact O-NZ 2.94Å; V11-K13 PolarHBondContact O-N 2.71Å; K13-R192 VanDerWaalsContact CB-NH1 3.33Å; K13-R192 PolarHBondContact O-NH2 2.89Å
14G97.3Very high95.7Very high9 Ų941.3 Ų41.39%0.09320%0.201CC..  trans-63.2137.2177.400000111I8 L12 V185I8-G14 PolarHBondContact O-N 3.31Å; L12-G14 PolarHBondContact O-N 3.4Å; G14-V185 WeakPolarHBondContact CA-O 3.28Å
15I98Very high95.1Very high30 Ų3045 Ų4515%0.15422%0.221CC..EExtended strand (participates in β ladder)trans-90115177-66.4163.4000107.6S184 V185 L202 K203I15-S184 CarbonylContact O-C 3.59Å; I15-S184 VanDerWaalsContact O-CA 3.26Å; I15-S184 WeakPolarHBondContact O-CA 3.3Å; I15-V185 PolarHBondContact N-O 2.85Å; I15-V185 PolarHBondContact O-N 2.95Å; I15-L202 HydrophobicContact CB-CD2 4.46Å; I15-L202 HydrophobicContact CB-CG 4.24Å; I15-L202 HydrophobicContact CD1-CB 4.17Å; I15-L202 HydrophobicContact CD1-CD2 3.66Å; I15-L202 HydrophobicContact CD1-CG 3.64Å; I15-L202 HydrophobicContact CG2-CG 4.17Å; I15-K203 HydrophobicContact CD1-CB 4.24Å
16V98Very high94.5Very high22 Ų2240.8 Ų40.813%0.13321%0.211CC..EExtended strand (participates in β ladder)trans-79.6133.8178.2-177.50000109.5Y5 T9 E18 F182 V183 G206Y5-V16 HydrophobicContact CE2-CG2 4.23Å; T9-V16 HydrophobicContact CG2-CG2 3.72Å; V16-E18 HydrophobicContact CB-CG 4.39Å; V16-E18 HydrophobicContact CG1-CG 4.05Å; V16-E18 PolarHBondContact O-N 2.91Å; V16-F182 HydrophobicContact CG1-CD2 4.25Å; V16-F182 HydrophobicContact CG1-CE2 3.98Å; V16-F182 HydrophobicContact CG2-CE2 3.91Å; V16-F182 HydrophobicContact CG2-CZ 4.41Å; V16-V183 WeakPolarHBondContact CA-O 2.99Å; V16-G206 WeakPolarHBondContact O-CA 3.41Å
17L97.5Very high94.2Very high2 Ų236.7 Ų36.71%0.0120%0.197CC..  trans-89.183.9172.7-52.3-175000109K19 Y20 V183 L202 L215 L240L17-K19 PolarHBondContact O-N 2.76Å; L17-Y20 HydrophobicContact CB-CD2 4.4Å; L17-Y20 HydrophobicContact CD1-CD2 3.78Å; L17-Y20 HydrophobicContact CD1-CE2 4.45Å; L17-Y20 WeakPolarHBondContact O-CB 3.17Å; L17-Y20 PolarHBondContact O-N 2.78Å; L17-Y20 VanDerWaalsContact O-N 3.13Å; L17-V183 HydrophobicContact CB-CB 4.21Å; L17-V183 HydrophobicContact CD1-CB 4.13Å; L17-V183 HydrophobicContact CD1-CG1 3.65Å; L17-V183 HydrophobicContact CG-CB 4.3Å; L17-V183 HydrophobicContact CG-CG1 4.13Å; L17-V183 PolarHBondContact N-O 3.2Å; L17-L202 HydrophobicContact CD2-CD1 4.43Å; L17-L215 HydrophobicContact CD1-CD2 4.45Å; L17-L240 HydrophobicContact CD1-CD1 3.78Å; L17-L240 HydrophobicContact CD1-CD2 4.31Å; L17-L240 HydrophobicContact CD2-CD1 4.32Å; L17-L240 HydrophobicContact CD2-CD2 4.37Å
18E94Very high94Very high87 Ų8736 Ų3641%0.40720%0.196SC..THydrogen-bonded Turntrans-68.4-20.4-170.3-65.6176.6-168.700113.7V16 N180 G206 K207V16-E18 HydrophobicContact CB-CG 4.39Å; V16-E18 HydrophobicContact CG1-CG 4.05Å; V16-E18 PolarHBondContact O-N 2.91Å; E18-N180 PolarHBondContact O-ND2 2.97Å; E18-N180 PolarHBondContact O-OD1 3.46Å; E18-G206 PolarHBondContact N-O 3.47Å; E18-K207 WeakPolarHBondContact OE1-CE 3.49Å; E18-K207 IonicContact OE1-NZ 2.71Å; E18-K207 PolarHBondContact OE1-NZ 2.9Å; E18-K207 WeakPolarHBondContact OE2-CD 3.22Å; E18-K207 WeakPolarHBondContact OE2-CE 3.21Å; E18-K207 IonicContact OE2-NZ 3.71Å; E18-K207 PolarHBondContact OE2-NZ 2.74Å
19K93.3Very high93.8Very high122 Ų12237 Ų3753%0.5320%0.204SC..THydrogen-bonded Turntrans-115.929.4175.6-56.5-173.7-176.1177.60111.8L17 K207 R208 T210L17-K19 PolarHBondContact O-N 2.76Å; K19-K207 WeakPolarHBondContact CD-O 3.22Å; K19-K207 WeakPolarHBondContact CE-O 3.38Å; K19-R208 WeakPolarHBondContact CB-O 3.32Å; K19-T210 PolarHBondContact O-N 3.09Å
20Y95.7Very high93.7Very high2 Ų235.3 Ų35.31%0.00819%0.194CC..BIsolated β-bridgetrans-65.9134.5169-169.9-83.9000110.2L17 N180 P181 V183 T210 T211 P212 L215L17-Y20 HydrophobicContact CB-CD2 4.4Å; L17-Y20 HydrophobicContact CD1-CD2 3.78Å; L17-Y20 HydrophobicContact CD1-CE2 4.45Å; L17-Y20 WeakPolarHBondContact O-CB 3.17Å; L17-Y20 PolarHBondContact O-N 2.78Å; L17-Y20 VanDerWaalsContact O-N 3.13Å; Y20-N180 PolarHBondContact O-ND2 3.12Å; Y20-P181 HydrophobicContact CD1-CG 3.55Å; Y20-P181 HydrophobicContact CE1-CG 3.76Å; Y20-V183 HydrophobicContact CD1-CG2 3.61Å; Y20-V183 HydrophobicContact CD2-CB 4.23Å; Y20-V183 HydrophobicContact CD2-CG1 4.46Å; Y20-V183 HydrophobicContact CD2-CG2 3.84Å; Y20-V183 HydrophobicContact CE1-CG2 3.74Å; Y20-V183 HydrophobicContact CE2-CG2 4.01Å; Y20-V183 HydrophobicContact CG-CB 4.21Å; Y20-V183 HydrophobicContact CG-CG2 3.6Å; Y20-T210 CarbonylContact C-O 3.2Å; Y20-T210 VanDerWaalsContact CA-O 3.3Å; Y20-T210 WeakPolarHBondContact CA-O 3.15Å; Y20-T210 WeakPolarHBondContact CA-OG1 3.43Å; Y20-T210 WeakPolarHBondContact CD2-OG1 3.24Å; Y20-T211 VanDerWaalsContact CE2-C 3.47Å; Y20-P212 HydrophobicContact CE1-CG 4.37Å; Y20-P212 VanDerWaalsContact OH-CA 3.26Å; Y20-P212 WeakPolarHBondContact OH-CA 3.42Å; Y20-P212 VanDerWaalsContact OH-CD 3.25Å; Y20-P212 WeakPolarHBondContact OH-CD 3.31Å; Y20-P212 WeakPolarHBondContact OH-CG 3.39Å; Y20-L215 HydrophobicContact CE2-CD1 3.54Å; Y20-L215 HydrophobicContact CE2-CG 4.01Å; Y20-L215 WeakPolarHBondContact OH-CD1 3.36Å
21N94.1Very high93.6Very high3 Ų333.6 Ų33.62%0.01618%0.182CC..  trans-125.2141.5-174.6-158.877000111.2L179 L209 T210 P212 I255 W259 P261N21-L179 WeakPolarHBondContact CA-O 3.43Å; N21-L209 HydrophobicContact CB-CD1 3.83Å; N21-T210 PolarHBondContact N-O 2.95Å; N21-P212 WeakPolarHBondContact O-CD 3.38Å; N21-I255 HydrophobicContact CB-CD1 4.11Å; N21-W259 PolarHBondContact ND2-O 3.03Å; N21-P261 WeakPolarHBondContact OD1-CD 3.34Å; N21-P261 VanDerWaalsContact OD1-CG 3.28Å; N21-P261 WeakPolarHBondContact OD1-CG 3.45Å
22I93.5Very high93.6Very high2 Ų231 Ų311%0.0117%0.166CC..  trans-68.1159.3170.967.8176.8000111.6L179 P181 W259I22-L179 HydrophobicContact CD1-CD2 3.45Å; I22-L179 VanDerWaalsContact CD1-CD2 3.45Å; I22-L179 HydrophobicContact CG1-CB 4.42Å; I22-L179 HydrophobicContact CG1-CD2 3.81Å; I22-L179 PolarHBondContact N-O 2.87Å; I22-L179 VanDerWaalsContact N-O 3.13Å; I22-P181 HydrophobicContact CG2-CG 3.86Å; I22-W259 HydrophobicContact CD1-CE3 3.8Å; I22-W259 HydrophobicContact CD1-CZ3 4.09Å; I22-W259 HydrophobicContact CG1-CE3 4.28Å
23L92.9Very high93.7Very high13 Ų1330.7 Ų30.77%0.06817%0.165CC..SBendtrans-108.4-5.1174-66.3170.1000113P33 T211 P212 F213 I255 W259L23-P33 HydrophobicContact CD1-CB 3.71Å; L23-P33 HydrophobicContact CD1-CG 3.86Å; L23-T211 HydrophobicContact CD2-CG2 4.12Å; L23-P212 HydrophobicContact CD1-CB 3.82Å; L23-P212 HydrophobicContact CD1-CG 3.75Å; L23-P212 HydrophobicContact CG-CG 4.08Å; L23-F213 HydrophobicContact CD1-CD1 4.49Å; L23-F213 HydrophobicContact CD1-CD2 3.51Å; L23-F213 HydrophobicContact CD1-CE1 4.42Å; L23-F213 HydrophobicContact CD1-CE2 3.41Å; L23-F213 VanDerWaalsContact CD1-CE2 3.41Å; L23-F213 HydrophobicContact CD1-CG 4.07Å; L23-F213 HydrophobicContact CD1-CZ 3.9Å; L23-F213 HydrophobicContact CD2-CD2 4.11Å; L23-F213 HydrophobicContact CD2-CE2 3.93Å; L23-F213 HydrophobicContact CG-CD2 4.47Å; L23-F213 HydrophobicContact CG-CE2 4.3Å; L23-I255 HydrophobicContact CD2-CG1 3.88Å; L23-W259 VanDerWaalsContact O-CD1 3.27Å
24G90Very high93.7Very high8 Ų826.1 Ų26.18%0.08215%0.146CC..SBendtrans177.2178.3-175.800000112.6A29 W259G24-A29 VanDerWaalsContact C-CB 3.41Å; G24-W259 VanDerWaalsContact CA-CE2 3.48Å
25D82.4Confident93.7Very high84 Ų8426.6 Ų26.645%0.44915%0.146SC..SBendtrans-77.2145.1178.2-161.510.2000112.3A29 R164 W259D25-A29 WeakPolarHBondContact O-CB 3.48Å; D25-R164 IonicContact OD1-CZ 2.6Å; D25-R164 IonicContact OD1-NE 3.61Å; D25-R164 IonicContact OD1-NH1 2.58Å; D25-R164 IonicContact OD1-NH2 2.89Å; D25-R164 PolarHBondContact OD1-NH2 3.31Å; D25-W259 HydrophobicContact CB-CH2 3.71Å; D25-W259 HydrophobicContact CB-CZ2 4.13Å
26G83.6Confident93.7Very high21 Ų2125.5 Ų25.522%0.21614%0.141CC..Hα-helixtrans71.1174.4176.100000116.3T28 A29 R164G26-T28 VanDerWaalsContact C-N 3.3Å; G26-T28 PolarHBondContact O-N 3.4Å; G26-A29 PolarHBondContact O-N 3.35Å; G26-R164 VanDerWaalsContact N-NH2 3.15Å
27T90.3Very high93.7Very high52 Ų5225 Ų2532%0.31914%0.14SC..Hα-helixtrans-61.7-36.8-177.3-41.50000112.5A29 A30 I31 T84 D160T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.27Å; T27-A30 PolarHBondContact O-N 2.71Å; T27-A30 VanDerWaalsContact O-N 3.07Å; T27-I31 HydrophobicContact CG2-CG1 3.71Å; T27-I31 WeakPolarHBondContact O-CB 3.44Å; T27-I31 WeakPolarHBondContact O-CG1 3.42Å; T27-I31 PolarHBondContact O-N 2.96Å; T27-T84 HydrophobicContact CG2-CG2 4.4Å; T27-T84 WeakPolarHBondContact CG2-OG1 3.45Å; T27-D160 WeakPolarHBondContact CA-OD2 3.24Å; T27-D160 WeakPolarHBondContact CB-OD2 3.27Å; T27-D160 HydrophobicContact CG2-CB 3.95Å; T27-D160 PolarHBondContact OG1-OD2 3.01Å
28T92.7Very high93.7Very high13 Ų1328.7 Ų28.78%0.0816%0.156CC..Hα-helixtrans-61.9-37.4-178-42.20000112.8G26 A30 I32 T84 R88 L89G26-T28 VanDerWaalsContact C-N 3.3Å; G26-T28 PolarHBondContact O-N 3.4Å; T28-A30 VanDerWaalsContact C-N 3.29Å; T28-A30 PolarHBondContact O-N 3.25Å; T28-I32 HydrophobicContact CG2-CD1 3.21Å; T28-I32 HydrophobicContact CG2-CG1 3.66Å; T28-I32 VanDerWaalsContact O-CB 3.3Å; T28-I32 WeakPolarHBondContact O-CB 3.46Å; T28-I32 WeakPolarHBondContact O-CG1 3.35Å; T28-I32 PolarHBondContact O-N 3.1Å; T28-T84 HydrophobicContact CG2-CG2 4.42Å; T28-T84 PolarHBondContact OG1-O 3.19Å; T28-R88 PolarHBondContact OG1-NE 2.87Å; T28-R88 VanDerWaalsContact OG1-NE 3.13Å; T28-L89 HydrophobicContact CG2-CD1 4.16Å
29A93.2Very high93.8Very high21 Ų2126.2 Ų26.217%0.17415%0.147CC..Hα-helixtrans-74.7-1817800000113.5G24 D25 G26 T27 P33G24-A29 VanDerWaalsContact C-CB 3.41Å; D25-A29 WeakPolarHBondContact O-CB 3.48Å; G26-A29 PolarHBondContact O-N 3.35Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.27Å; A29-P33 VanDerWaalsContact O-CD 3.25Å; A29-P33 WeakPolarHBondContact O-CD 3.49Å; A29-P33 VanDerWaalsContact O-CG 3.3Å; A29-P33 WeakPolarHBondContact O-CG 3.47Å
30A94.5Very high93.9Very high3 Ų322.8 Ų22.83%0.02513%0.133CC..Hα-helixtrans-86.6-44.9171.600000111.7T27 T28 L34 D160 P212T27-A30 PolarHBondContact O-N 2.71Å; T27-A30 VanDerWaalsContact O-N 3.07Å; T28-A30 VanDerWaalsContact C-N 3.29Å; T28-A30 PolarHBondContact O-N 3.25Å; A30-L34 WeakPolarHBondContact O-CB 3.4Å; A30-D160 HydrophobicContact CB-CB 4.23Å; A30-D160 WeakPolarHBondContact CB-O 3.45Å; A30-P212 WeakPolarHBondContact O-CB 3.36Å
31I95.6Very high93.7Very high30 Ų3029.9 Ų29.915%0.15417%0.17CC..Hα-helixtrans-85.6-38.1-168.3-63.9-57.8000112.8T27 L34 L35 T84 F85 M158T27-I31 HydrophobicContact CG2-CG1 3.71Å; T27-I31 WeakPolarHBondContact O-CB 3.44Å; T27-I31 WeakPolarHBondContact O-CG1 3.42Å; T27-I31 PolarHBondContact O-N 2.96Å; I31-L34 PolarHBondContact O-N 3.16Å; I31-L35 HydrophobicContact CG2-CD1 3.38Å; I31-L35 HydrophobicContact CG2-CG 4.16Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 VanDerWaalsContact O-CG 3.32Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 2.68Å; I31-T84 HydrophobicContact CB-CG2 3.91Å; I31-T84 HydrophobicContact CG1-CG2 4.49Å; I31-T84 HydrophobicContact CG2-CG2 3.94Å; I31-F85 HydrophobicContact CG2-CE2 4.23Å; I31-F85 HydrophobicContact CG2-CZ 4.09Å; I31-M158 HydrophobicContact CD1-CE 4.49Å
32I97.2Very high93.8Very high1 Ų133.7 Ų33.71%0.00519%0.188CC..Hα-helixtrans-60.2-51.9177.3-71.2-175.1000111.3T28 L34 L35 T36 K38 E40 L43 Y59 F85 L89T28-I32 HydrophobicContact CG2-CD1 3.21Å; T28-I32 HydrophobicContact CG2-CG1 3.66Å; T28-I32 VanDerWaalsContact O-CB 3.3Å; T28-I32 WeakPolarHBondContact O-CB 3.46Å; T28-I32 WeakPolarHBondContact O-CG1 3.35Å; T28-I32 PolarHBondContact O-N 3.1Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 2.79Å; I32-L35 PolarHBondContact O-N 3.42Å; I32-T36 HydrophobicContact CG2-CG2 4.34Å; I32-T36 WeakPolarHBondContact O-CB 3.32Å; I32-T36 PolarHBondContact O-N 3.36Å; I32-T36 PolarHBondContact O-OG1 3.35Å; I32-K38 WeakPolarHBondContact CG2-O 3.42Å; I32-E40 HydrophobicContact CD1-CB 4.2Å; I32-E40 HydrophobicContact CD1-CG 4.36Å; I32-L43 HydrophobicContact CG2-CD1 3.44Å; I32-L43 VanDerWaalsContact CG2-CD1 3.44Å; I32-Y59 HydrophobicContact CD1-CE2 3.76Å; I32-Y59 HydrophobicContact CG1-CE2 4.44Å; I32-F85 HydrophobicContact CD1-CE1 4.32Å; I32-F85 HydrophobicContact CG1-CE1 3.74Å; I32-F85 HydrophobicContact CG1-CZ 4.37Å; I32-L89 HydrophobicContact CD1-CD1 4.14Å
33P97.9Very high93.9Very high2 Ų234.3 Ų34.31%0.01319%0.191CC..Hα-helixtrans-66.1-31.9-178.6-23.437000113.2L23 A29 G37 K38 P212 F213L23-P33 HydrophobicContact CD1-CB 3.71Å; L23-P33 HydrophobicContact CD1-CG 3.86Å; A29-P33 VanDerWaalsContact O-CD 3.25Å; A29-P33 WeakPolarHBondContact O-CD 3.49Å; A29-P33 VanDerWaalsContact O-CG 3.3Å; A29-P33 WeakPolarHBondContact O-CG 3.47Å; P33-G37 WeakPolarHBondContact O-CA 3.45Å; P33-G37 PolarHBondContact O-N 3.2Å; P33-K38 WeakPolarHBondContact CA-O 3.33Å; P33-K38 WeakPolarHBondContact CG-O 3.41Å; P33-P212 HydrophobicContact CB-CB 3.88Å; P33-F213 HydrophobicContact CB-CD1 3.86Å; P33-F213 HydrophobicContact CB-CE1 3.65Å; P33-F213 HydrophobicContact CB-CZ 4.2Å
34L97.1Very high94.1Very high21 Ų2136.8 Ų36.811%0.1121%0.208CC..Hα-helixtrans-64.3-41.8173.9-178.8149.1000112A30 I31 I32 M158 P212 L215 H216A30-L34 WeakPolarHBondContact O-CB 3.4Å; I31-L34 PolarHBondContact O-N 3.16Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 2.79Å; L34-M158 HydrophobicContact CD1-CE 3.94Å; L34-M158 HydrophobicContact CD1-SD 3.47Å; L34-M158 WeakPolarHBondContact CD1-SD 3.37Å; L34-P212 HydrophobicContact CB-CB 4.29Å; L34-L215 HydrophobicContact CD1-CB 4.07Å; L34-L215 HydrophobicContact CD1-CD1 3.63Å; L34-L215 HydrophobicContact CG-CB 4.29Å; L34-H216 WeakPolarHBondContact O-CB 3.45Å; L34-H216 PolarHBondContact O-ND1 3.13Å
35L97.4Very high94.4Very high20 Ų2040.3 Ų40.311%0.10523%0.228CC..Hα-helixtrans-90.3-21.9-174.3-64.7170.3000114I31 I32 F61 I62 W63 F85I31-L35 HydrophobicContact CG2-CD1 3.38Å; I31-L35 HydrophobicContact CG2-CG 4.16Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 VanDerWaalsContact O-CG 3.32Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 2.68Å; I32-L35 PolarHBondContact O-N 3.42Å; L35-F61 HydrophobicContact CB-CD1 3.93Å; L35-F61 HydrophobicContact CB-CE1 4.47Å; L35-F61 HydrophobicContact CD1-CD1 4.5Å; L35-F61 CarbonylContact O-C 3.55Å; L35-F61 WeakPolarHBondContact O-CA 3.35Å; L35-I62 HydrophobicContact CD2-CG2 4.36Å; L35-I62 WeakPolarHBondContact O-CB 3.43Å; L35-I62 PolarHBondContact O-N 3.39Å; L35-W63 HydrophobicContact CB-CZ3 4.36Å; L35-W63 HydrophobicContact CD1-CE3 4.37Å; L35-W63 HydrophobicContact CD1-CH2 3.78Å; L35-W63 HydrophobicContact CD1-CZ3 3.36Å; L35-W63 HydrophobicContact CD2-CE3 3.89Å; L35-W63 HydrophobicContact CD2-CZ3 3.67Å; L35-W63 HydrophobicContact CG-CZ3 4Å; L35-F85 HydrophobicContact CD1-CE2 4.13Å; L35-F85 HydrophobicContact CD1-CZ 3.92Å
36T97.9Very high95.1Very high7 Ų736.3 Ų36.34%0.04321%0.206CC..Hα-helixtrans-121.9-10.4-173.568.80000113.6I32 K38 L43 Y59 F61 H216I32-T36 HydrophobicContact CG2-CG2 4.34Å; I32-T36 WeakPolarHBondContact O-CB 3.32Å; I32-T36 PolarHBondContact O-N 3.36Å; I32-T36 PolarHBondContact O-OG1 3.35Å; T36-K38 PolarHBondContact O-N 3.16Å; T36-K38 PolarHBondContact OG1-N 2.92Å; T36-K38 PolarHBondContact OG1-O 2.91Å; T36-L43 HydrophobicContact CG2-CD1 4.35Å; T36-Y59 HydrophobicContact CG2-CD2 4.5Å; T36-F61 HydrophobicContact CG2-CD1 3.63Å; T36-F61 HydrophobicContact CG2-CE1 3.87Å; T36-F61 HydrophobicContact CG2-CG 4.36Å; T36-H216 VanDerWaalsContact C-CE1 3.42Å
37G97.7Very high95.7Very high12 Ų1238.2 Ų38.212%0.12421%0.211CC..SBendtrans68.49.6-173.200000113.5P33 F213 H216 R236P33-G37 WeakPolarHBondContact O-CA 3.45Å; P33-G37 PolarHBondContact O-N 3.2Å; G37-F213 WeakPolarHBondContact O-CD1 3.18Å; G37-F213 VanDerWaalsContact O-CE1 3.32Å; G37-F213 WeakPolarHBondContact O-CE1 3.4Å; G37-H216 WeakPolarHBondContact CA-CD2 3.44Å; G37-H216 VanDerWaalsContact CA-CG 3.5Å; G37-H216 PolarHBondContact N-CE1 3.32Å; G37-H216 VanDerWaalsContact N-CE1 3.26Å; G37-H216 PolarHBondContact N-ND1 3.05Å; G37-H216 PolarHBondContact N-NE2 3.41Å; G37-R236 PolarHBondContact O-NH2 3.25Å
38K97.9Very high95.9Very high79 Ų7941.1 Ų41.134%0.34322%0.219SC..SBendtrans-131.2154.6-172.8-71.2173.6175.8-73.80112.2I32 P33 T36 E42 L43 P60I32-K38 WeakPolarHBondContact CG2-O 3.42Å; P33-K38 WeakPolarHBondContact CA-O 3.33Å; P33-K38 WeakPolarHBondContact CG-O 3.41Å; T36-K38 PolarHBondContact O-N 3.16Å; T36-K38 PolarHBondContact OG1-N 2.92Å; T36-K38 PolarHBondContact OG1-O 2.91Å; K38-E42 WeakPolarHBondContact CA-OE2 3.38Å; K38-E42 HydrophobicContact CB-CB 4.08Å; K38-E42 HydrophobicContact CG-CB 4.42Å; K38-L43 HydrophobicContact CB-CD1 4.23Å; K38-L43 HydrophobicContact CB-CD2 4.04Å; K38-L43 HydrophobicContact CB-CG 3.95Å; K38-L43 HydrophobicContact CD-CD2 3.55Å; K38-L43 HydrophobicContact CD-CG 4.27Å; K38-L43 HydrophobicContact CG-CD2 4.44Å; K38-P60 HydrophobicContact CD-CG 4.08Å
39T96Very high95.9Very high35 Ų3544.6 Ų44.622%0.21526%0.258CS..  trans-77.7165.3166.473.10000110.4L41 E42 L43 F213T39-L41 PolarHBondContact O-N 3.32Å; T39-L41 PolarHBondContact OG1-N 3.49Å; T39-E42 PolarHBondContact N-OE2 2.91Å; T39-E42 PolarHBondContact O-N 2.67Å; T39-E42 VanDerWaalsContact O-N 3.16Å; T39-E42 WeakPolarHBondContact OG1-CG 3.5Å; T39-E42 PolarHBondContact OG1-N 2.95Å; T39-L43 WeakPolarHBondContact O-CD1 3.48Å; T39-L43 WeakPolarHBondContact O-CG 3.26Å; T39-F213 HydrophobicContact CG2-CZ 3.71Å
40E93.6Very high95.9Very high49 Ų4946.6 Ų46.623%0.22927%0.268CS..G310 helixtrans-59.6-35.7174.1-173.2-172.3-175.900112.4I32 E42 L43 R88 L89I32-E40 HydrophobicContact CD1-CB 4.2Å; I32-E40 HydrophobicContact CD1-CG 4.36Å; E40-E42 PolarHBondContact O-N 3.21Å; E40-L43 PolarHBondContact O-N 3.32Å; E40-L43 VanDerWaalsContact O-N 3.12Å; E40-R88 IonicContact OE1-CZ 3.87Å; E40-R88 IonicContact OE1-NH1 3.39Å; E40-R88 PolarHBondContact OE1-NH1 3.26Å; E40-R88 IonicContact OE1-NH2 3.13Å; E40-R88 IonicContact OE2-CZ 3.81Å; E40-R88 IonicContact OE2-NH1 3.94Å; E40-R88 PolarHBondContact OE2-NH1 2.82Å; E40-R88 IonicContact OE2-NH2 3.64Å; E40-R88 PolarHBondContact OE2-NH2 3.25Å; E40-L89 WeakPolarHBondContact OE1-CD2 3.37Å
41L92.3Very high95.7Very high151 Ų15155 Ų5579%0.79131%0.306SS*.G310 helixtrans-69.3-21.5179.2-62.9178.2000112.9T39 L43T39-L41 PolarHBondContact O-N 3.32Å; T39-L41 PolarHBondContact OG1-N 3.49Å; L41-L43 VanDerWaalsContact C-N 3.28Å
42E96Very high95.4Very high83 Ų8360.9 Ų60.939%0.38834%0.338SS..G310 helixtrans-85.8-1.3175-66.4-179.9133.600113.1K38 T39 E40 R236K38-E42 WeakPolarHBondContact CA-OE2 3.38Å; K38-E42 HydrophobicContact CB-CB 4.08Å; K38-E42 HydrophobicContact CG-CB 4.42Å; T39-E42 PolarHBondContact N-OE2 2.91Å; T39-E42 PolarHBondContact O-N 2.67Å; T39-E42 VanDerWaalsContact O-N 3.16Å; T39-E42 WeakPolarHBondContact OG1-CG 3.5Å; T39-E42 PolarHBondContact OG1-N 2.95Å; E40-E42 PolarHBondContact O-N 3.21Å; E42-R236 IonicContact OE1-CZ 3.02Å; E42-R236 IonicContact OE1-NH1 2.79Å; E42-R236 PolarHBondContact OE1-NH1 3.21Å; E42-R236 IonicContact OE1-NH2 2.71Å; E42-R236 IonicContact OE2-CZ 3.67Å; E42-R236 IonicContact OE2-NH1 3.94Å; E42-R236 PolarHBondContact OE2-NH1 2.85Å; E42-R236 IonicContact OE2-NH2 2.7Å; E42-R236 PolarHBondContact OE2-NH2 3.24Å
43L97Very high95.4Very high16 Ų1661.4 Ų61.48%0.08434%0.342CS..SBendtrans-114.8159.3-175.5-67.9168.8000110.8I32 T36 K38 T39 E40 L41 Y59 P60I32-L43 HydrophobicContact CG2-CD1 3.44Å; I32-L43 VanDerWaalsContact CG2-CD1 3.44Å; T36-L43 HydrophobicContact CG2-CD1 4.35Å; K38-L43 HydrophobicContact CB-CD1 4.23Å; K38-L43 HydrophobicContact CB-CD2 4.04Å; K38-L43 HydrophobicContact CB-CG 3.95Å; K38-L43 HydrophobicContact CD-CD2 3.55Å; K38-L43 HydrophobicContact CD-CG 4.27Å; K38-L43 HydrophobicContact CG-CD2 4.44Å; T39-L43 WeakPolarHBondContact O-CD1 3.48Å; T39-L43 WeakPolarHBondContact O-CG 3.26Å; E40-L43 PolarHBondContact O-N 3.32Å; E40-L43 VanDerWaalsContact O-N 3.12Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L43-Y59 HydrophobicContact CB-CD1 3.92Å; L43-Y59 HydrophobicContact CB-CE1 3.53Å; L43-Y59 HydrophobicContact CD1-CD1 4.01Å; L43-Y59 HydrophobicContact CD1-CD2 3.94Å; L43-Y59 HydrophobicContact CD1-CE1 4.01Å; L43-Y59 HydrophobicContact CD1-CE2 3.94Å; L43-Y59 HydrophobicContact CD1-CG 3.96Å; L43-Y59 HydrophobicContact CD2-CD1 4.13Å; L43-Y59 HydrophobicContact CD2-CG 4.43Å; L43-Y59 HydrophobicContact CG-CD1 4.26Å; L43-Y59 HydrophobicContact CG-CE1 4.25Å; L43-P60 VanDerWaalsContact CD2-CD 3.41Å; L43-P60 HydrophobicContact CD2-CG 4.07Å
44P96.7Very high95.3Very high64 Ų6463.6 Ų63.642%0.41636%0.358SS..  trans-55.2145.2173.8-24.834.7000111.5T46 V58 Y59P44-T46 WeakPolarHBondContact O-CG2 3.4Å; P44-T46 PolarHBondContact O-N 2.69Å; P44-V58 HydrophobicContact CB-CG2 3.8Å; P44-V58 HydrophobicContact CG-CB 4.46Å; P44-V58 HydrophobicContact CG-CG2 3.85Å; P44-Y59 WeakPolarHBondContact O-CE1 3.5Å
45V96.5Very high95.3Very high82 Ų8267.7 Ų67.750%0.49737%0.372SS..  trans-66.1125.4-179-176.30000110.1L47 V50 A53 S54V45-L47 HydrophobicContact CG1-CB 4.25Å; V45-L47 HydrophobicContact CG1-CD1 4.28Å; V45-L47 HydrophobicContact CG1-CG 4.36Å; V45-V50 HydrophobicContact CG1-CB 4.45Å; V45-V50 HydrophobicContact CG1-CG1 4.2Å; V45-V50 HydrophobicContact CG1-CG2 4.39Å; V45-A53 HydrophobicContact CG1-CB 4.07Å; V45-A53 CarbonylContact O-C 3.34Å; V45-A53 WeakPolarHBondContact O-CA 3.35Å; V45-A53 VanDerWaalsContact O-CB 3.27Å; V45-A53 WeakPolarHBondContact O-CB 3.24Å; V45-S54 PolarHBondContact O-N 3.42Å
46T96.8Very high95.3Very high0 Ų066.7 Ų66.70%037%0.368CS..  trans-125.818.917767.80000113P44 S54 V56 V58 Y59 L89 K90P44-T46 WeakPolarHBondContact O-CG2 3.4Å; P44-T46 PolarHBondContact O-N 2.69Å; T46-S54 VanDerWaalsContact CA-O 3.23Å; T46-S54 WeakPolarHBondContact CA-O 3.43Å; T46-S54 WeakPolarHBondContact CB-O 3.46Å; T46-S54 WeakPolarHBondContact CG2-O 3.17Å; T46-V56 HydrophobicContact CG2-CG1 4.07Å; T46-V56 WeakPolarHBondContact OG1-CG1 3.48Å; T46-V58 HydrophobicContact CG2-CG2 4.2Å; T46-Y59 HydrophobicContact CG2-CD1 4.34Å; T46-Y59 HydrophobicContact CG2-CE1 3.51Å; T46-Y59 PolarHBondContact OG1-OH 3.06Å; T46-L89 CarbonylContact O-C 3.55Å; T46-L89 WeakPolarHBondContact O-CA 3.4Å; T46-K90 PolarHBondContact O-N 2.78Å
47L95.7Very high95.3Very high62 Ų6268.6 Ų68.633%0.32538%0.377SS..BIsolated β-bridgetrans-66142.3-180-71.3165.5000111.5V45 V50 A53 L89V45-L47 HydrophobicContact CG1-CB 4.25Å; V45-L47 HydrophobicContact CG1-CD1 4.28Å; V45-L47 HydrophobicContact CG1-CG 4.36Å; L47-V50 HydrophobicContact CB-CG2 3.95Å; L47-A53 WeakPolarHBondContact O-CB 3.22Å; L47-L89 HydrophobicContact CD2-CD2 3.83Å; L47-L89 HydrophobicContact CG-CD2 4.35Å
48K94.1Very high95.3Very high113 Ų11371.4 Ų71.449%0.49139%0.392SS..THydrogen-bonded Turntrans-66.5144.9167.9-69-177.8-177.4170.20110V50 T86 Y87 R88 L89 K90K48-V50 PolarHBondContact O-N 2.96Å; K48-T86 WeakPolarHBondContact CE-O 3.3Å; K48-T86 PolarHBondContact NZ-O 3.45Å; K48-Y87 WeakPolarHBondContact CD-O 3.19Å; K48-Y87 VanDerWaalsContact CE-O 3.27Å; K48-Y87 WeakPolarHBondContact CE-O 3.23Å; K48-Y87 PolarHBondContact NZ-O 2.85Å; K48-R88 PolarHBondContact N-O 2.99Å; K48-L89 WeakPolarHBondContact CE-O 3.41Å; K48-K90 HydrophobicContact CG-CG 4.46Å
49G92Very high95.3Very high86 Ų8667.8 Ų67.889%0.88738%0.376SS*.THydrogen-bonded Turntrans83.2-10.2179.500000114.8
50V94.4Very high95.3Very high62 Ų6269.3 Ų69.338%0.37639%0.386SS..  trans-87122.5168178.60000108.4V45 L47 K48 A53 K90V45-V50 HydrophobicContact CG1-CB 4.45Å; V45-V50 HydrophobicContact CG1-CG1 4.2Å; V45-V50 HydrophobicContact CG1-CG2 4.39Å; L47-V50 HydrophobicContact CB-CG2 3.95Å; K48-V50 PolarHBondContact O-N 2.96Å; V50-A53 HydrophobicContact CB-CB 3.72Å; V50-A53 HydrophobicContact CG1-CB 3.86Å; V50-A53 WeakPolarHBondContact O-CB 3.27Å; V50-A53 PolarHBondContact O-N 3Å; V50-K90 WeakPolarHBondContact O-CE 3.25Å; V50-K90 PolarHBondContact O-NZ 3.03Å
51E89Confident95.5Very high180 Ų18067.1 Ų67.184%0.84138%0.376SS*.THydrogen-bonded Turntrans-57.4-57.1-172.5-166.8166.7-174.700111.2A53 K90E51-A53 VanDerWaalsContact C-N 3.29Å; E51-A53 PolarHBondContact O-N 3.12Å; E51-K90 PolarHBondContact O-NZ 3.12Å
52D91.3Very high95.8Very high154 Ų15460.5 Ų60.582%0.82434%0.342SS*.THydrogen-bonded Turntrans-84.29-177.6-61-45.3000115.1
53A95.5Very high95.8Very high11 Ų1157.3 Ų57.39%0.09133%0.326CS..PPolyproline II helixtrans-68.5141.2178.900000112V45 L47 V50 E51 K90V45-A53 HydrophobicContact CG1-CB 4.07Å; V45-A53 CarbonylContact O-C 3.34Å; V45-A53 WeakPolarHBondContact O-CA 3.35Å; V45-A53 VanDerWaalsContact O-CB 3.27Å; V45-A53 WeakPolarHBondContact O-CB 3.24Å; L47-A53 WeakPolarHBondContact O-CB 3.22Å; V50-A53 HydrophobicContact CB-CB 3.72Å; V50-A53 HydrophobicContact CG1-CB 3.86Å; V50-A53 WeakPolarHBondContact O-CB 3.27Å; V50-A53 PolarHBondContact O-N 3Å; E51-A53 VanDerWaalsContact C-N 3.29Å; E51-A53 PolarHBondContact O-N 3.12Å; A53-K90 HydrophobicContact CB-CD 4.23Å; A53-K90 WeakPolarHBondContact O-CD 3.2Å; A53-K90 WeakPolarHBondContact O-CE 3.04Å; A53-K90 PolarHBondContact O-NZ 3.22Å
54S96.7Very high95.7Very high48 Ų4859.2 Ų59.234%0.33634%0.336SS..PPolyproline II helixtrans-81.4165.5176.8-70.50000112.2V45 T46V45-S54 PolarHBondContact O-N 3.42Å; T46-S54 VanDerWaalsContact CA-O 3.23Å; T46-S54 WeakPolarHBondContact CA-O 3.43Å; T46-S54 WeakPolarHBondContact CB-O 3.46Å; T46-S54 WeakPolarHBondContact CG2-O 3.17Å
55Y97.4Very high95.6Very high107 Ų10760.3 Ų60.342%0.4234%0.336SS..PPolyproline II helixtrans-71.6158.3159.5-70.3-95.2000109.6D57 V58 K90 G91 K93Y55-D57 WeakPolarHBondContact CB-OD2 3.47Å; Y55-D57 PolarHBondContact O-N 3.34Å; Y55-V58 WeakPolarHBondContact O-CG2 3.24Å; Y55-V58 PolarHBondContact O-N 3.26Å; Y55-K90 HydrophobicContact CD1-CB 4.04Å; Y55-K90 WeakPolarHBondContact CD1-O 3.49Å; Y55-K90 HydrophobicContact CE1-CB 4.41Å; Y55-K90 HydrophobicContact CG-CB 4.41Å; Y55-G91 WeakPolarHBondContact CB-O 3.41Å; Y55-G91 WeakPolarHBondContact CD1-O 3.36Å; Y55-K93 HydrophobicContact CD1-CB 3.88Å; Y55-K93 HydrophobicContact CD2-CB 4Å; Y55-K93 HydrophobicContact CD2-CD 3.93Å; Y55-K93 HydrophobicContact CD2-CG 4.36Å; Y55-K93 HydrophobicContact CE1-CB 4.33Å; Y55-K93 HydrophobicContact CE2-CB 4.43Å; Y55-K93 HydrophobicContact CE2-CD 3.96Å; Y55-K93 HydrophobicContact CE2-CG 4.38Å; Y55-K93 HydrophobicContact CG-CB 3.7Å
56V96.9Very high95.5Very high0 Ų058.7 Ų58.70%032%0.324CS..G310 helixtrans-67.2-7.7-176.2-62.50000113.8T46 V58 Y59 F61 F85 L89 G91 F92T46-V56 HydrophobicContact CG2-CG1 4.07Å; T46-V56 WeakPolarHBondContact OG1-CG1 3.48Å; V56-V58 PolarHBondContact O-N 2.92Å; V56-Y59 HydrophobicContact CB-CD2 4.15Å; V56-Y59 HydrophobicContact CB-CE2 4.24Å; V56-Y59 HydrophobicContact CG1-CD2 4.41Å; V56-Y59 HydrophobicContact CG1-CE2 3.99Å; V56-Y59 WeakPolarHBondContact O-CB 3.24Å; V56-Y59 PolarHBondContact O-N 2.95Å; V56-F61 HydrophobicContact CB-CZ 4.39Å; V56-F61 VanDerWaalsContact O-CE2 3.26Å; V56-F61 WeakPolarHBondContact O-CE2 3.46Å; V56-F85 HydrophobicContact CB-CD1 4.39Å; V56-F85 HydrophobicContact CG1-CB 4.47Å; V56-F85 HydrophobicContact CG1-CD1 4.15Å; V56-F85 HydrophobicContact CG2-CB 4.04Å; V56-F85 HydrophobicContact CG2-CD1 4.3Å; V56-F85 HydrophobicContact CG2-CG 4.33Å; V56-L89 HydrophobicContact CG1-CB 3.95Å; V56-L89 HydrophobicContact CG1-CD1 3.92Å; V56-G91 VanDerWaalsContact CG2-C 3.43Å; V56-G91 VanDerWaalsContact CG2-O 3.24Å; V56-G91 WeakPolarHBondContact CG2-O 3.42Å; V56-G91 PolarHBondContact N-O 3.16Å; V56-F92 HydrophobicContact CG2-CB 4.47Å; V56-F92 HydrophobicContact CG2-CD1 3.41Å; V56-F92 VanDerWaalsContact CG2-CD1 3.41Å; V56-F92 HydrophobicContact CG2-CD2 3.93Å; V56-F92 HydrophobicContact CG2-CE1 3.44Å; V56-F92 VanDerWaalsContact CG2-CE1 3.44Å; V56-F92 HydrophobicContact CG2-CE2 3.94Å; V56-F92 HydrophobicContact CG2-CG 3.67Å; V56-F92 HydrophobicContact CG2-CZ 3.71Å
57D97.2Very high95.4Very high47 Ų4763.5 Ų63.525%0.25135%0.345SS..G310 helixtrans-50.6-23.2172.5-53.7-128.7000113.8Y55 Y59 F92 K93 R94Y55-D57 WeakPolarHBondContact CB-OD2 3.47Å; Y55-D57 PolarHBondContact O-N 3.34Å; D57-Y59 VanDerWaalsContact C-N 3.29Å; D57-F92 WeakPolarHBondContact OD2-CA 3.45Å; D57-K93 PolarHBondContact OD1-N 3.29Å; D57-K93 PolarHBondContact OD2-N 2.95Å; D57-R94 WeakPolarHBondContact OD1-CB 3.3Å; D57-R94 PolarHBondContact OD1-N 2.75Å
58V97.4Very high95.3Very high71 Ų7167.7 Ų67.743%0.4336%0.36SS..G310 helixtrans-78.3-9.6178.4-580000113.8P44 T46 Y55 V56P44-V58 HydrophobicContact CB-CG2 3.8Å; P44-V58 HydrophobicContact CG-CB 4.46Å; P44-V58 HydrophobicContact CG-CG2 3.85Å; T46-V58 HydrophobicContact CG2-CG2 4.2Å; Y55-V58 WeakPolarHBondContact O-CG2 3.24Å; Y55-V58 PolarHBondContact O-N 3.26Å; V56-V58 PolarHBondContact O-N 2.92Å
59Y98Very high95.2Very high3 Ų367.4 Ų67.41%0.01236%0.364CS..SBendtrans-74.5142.7179.4-68.8-2000111.4I32 T36 L43 P44 T46 V56 D57 F61 F85 L89I32-Y59 HydrophobicContact CD1-CE2 3.76Å; I32-Y59 HydrophobicContact CG1-CE2 4.44Å; T36-Y59 HydrophobicContact CG2-CD2 4.5Å; L43-Y59 HydrophobicContact CB-CD1 3.92Å; L43-Y59 HydrophobicContact CB-CE1 3.53Å; L43-Y59 HydrophobicContact CD1-CD1 4.01Å; L43-Y59 HydrophobicContact CD1-CD2 3.94Å; L43-Y59 HydrophobicContact CD1-CE1 4.01Å; L43-Y59 HydrophobicContact CD1-CE2 3.94Å; L43-Y59 HydrophobicContact CD1-CG 3.96Å; L43-Y59 HydrophobicContact CD2-CD1 4.13Å; L43-Y59 HydrophobicContact CD2-CG 4.43Å; L43-Y59 HydrophobicContact CG-CD1 4.26Å; L43-Y59 HydrophobicContact CG-CE1 4.25Å; P44-Y59 WeakPolarHBondContact O-CE1 3.5Å; T46-Y59 HydrophobicContact CG2-CD1 4.34Å; T46-Y59 HydrophobicContact CG2-CE1 3.51Å; T46-Y59 PolarHBondContact OG1-OH 3.06Å; V56-Y59 HydrophobicContact CB-CD2 4.15Å; V56-Y59 HydrophobicContact CB-CE2 4.24Å; V56-Y59 HydrophobicContact CG1-CD2 4.41Å; V56-Y59 HydrophobicContact CG1-CE2 3.99Å; V56-Y59 WeakPolarHBondContact O-CB 3.24Å; V56-Y59 PolarHBondContact O-N 2.95Å; D57-Y59 VanDerWaalsContact C-N 3.29Å; Y59-F61 HydrophobicContact CD2-CE1 4.13Å; Y59-F61 HydrophobicContact CD2-CE2 4.32Å; Y59-F61 AromaticContact CD2-CZ 3.68Å; Y59-F61 HydrophobicContact CD2-CZ 3.68Å; Y59-F61 HydrophobicContact CG-CE2 4.33Å; Y59-F61 HydrophobicContact CG-CZ 4.12Å; Y59-F61 WeakPolarHBondContact O-CD2 3.36Å; Y59-F61 PolarHBondContact O-N 2.8Å; Y59-F85 HydrophobicContact CD2-CE1 4.49Å; Y59-L89 HydrophobicContact CE2-CD1 4.47Å
60P97.5Very high95.3Very high66 Ų6666.5 Ų66.543%0.42935%0.354SS..  trans-8165.6-179.935.2-35.3000110.6K38 L43K38-P60 HydrophobicContact CD-CG 4.08Å; L43-P60 VanDerWaalsContact CD2-CD 3.41Å; L43-P60 HydrophobicContact CD2-CG 4.07Å
61F97.9Very high95.2Very high4 Ų469.8 Ų69.82%0.01836%0.361CS..  trans-65.9136.5-179.2-64.3-72000112.4L35 T36 V56 Y59 W63 N64 F85 F92L35-F61 HydrophobicContact CB-CD1 3.93Å; L35-F61 HydrophobicContact CB-CE1 4.47Å; L35-F61 HydrophobicContact CD1-CD1 4.5Å; L35-F61 CarbonylContact O-C 3.55Å; L35-F61 WeakPolarHBondContact O-CA 3.35Å; T36-F61 HydrophobicContact CG2-CD1 3.63Å; T36-F61 HydrophobicContact CG2-CE1 3.87Å; T36-F61 HydrophobicContact CG2-CG 4.36Å; V56-F61 HydrophobicContact CB-CZ 4.39Å; V56-F61 VanDerWaalsContact O-CE2 3.26Å; V56-F61 WeakPolarHBondContact O-CE2 3.46Å; Y59-F61 HydrophobicContact CD2-CE1 4.13Å; Y59-F61 HydrophobicContact CD2-CE2 4.32Å; Y59-F61 AromaticContact CD2-CZ 3.68Å; Y59-F61 HydrophobicContact CD2-CZ 3.68Å; Y59-F61 HydrophobicContact CG-CE2 4.33Å; Y59-F61 HydrophobicContact CG-CZ 4.12Å; Y59-F61 WeakPolarHBondContact O-CD2 3.36Å; Y59-F61 PolarHBondContact O-N 2.8Å; F61-W63 HydrophobicContact CB-CD2 3.64Å; F61-W63 HydrophobicContact CB-CE3 4.33Å; F61-W63 HydrophobicContact CB-CG 4.02Å; F61-W63 HydrophobicContact CB-CH2 4.26Å; F61-W63 HydrophobicContact CB-CZ2 3.56Å; F61-W63 VanDerWaalsContact CB-NE1 3.34Å; F61-W63 AromaticContact CD1-CE2 3.93Å; F61-W63 AromaticContact CD1-CH2 3.39Å; F61-W63 HydrophobicContact CD1-CH2 3.39Å; F61-W63 AromaticContact CD1-CZ2 3.3Å; F61-W63 HydrophobicContact CD1-CZ2 3.3Å; F61-W63 HydrophobicContact CD1-CZ3 4.09Å; F61-W63 AromaticContact CD2-CE2 3.77Å; F61-W63 HydrophobicContact CD2-CH2 4.29Å; F61-W63 AromaticContact CD2-CZ2 3.38Å; F61-W63 HydrophobicContact CD2-CZ2 3.38Å; F61-W63 AromaticContact CD2-NE1 3.9Å; F61-W63 AromaticContact CE1-CH2 3.62Å; F61-W63 HydrophobicContact CE1-CH2 3.62Å; F61-W63 AromaticContact CE1-CZ2 3.69Å; F61-W63 HydrophobicContact CE1-CZ2 3.69Å; F61-W63 HydrophobicContact CE2-CH2 4.45Å; F61-W63 AromaticContact CE2-CZ2 3.74Å; F61-W63 HydrophobicContact CE2-CZ2 3.74Å; F61-W63 HydrophobicContact CG-CD2 4.18Å; F61-W63 AromaticContact CG-CE2 3.39Å; F61-W63 AromaticContact CG-CH2 3.75Å; F61-W63 HydrophobicContact CG-CH2 3.75Å; F61-W63 AromaticContact CG-CZ2 3.12Å; F61-W63 HydrophobicContact CG-CZ2 3.12Å; F61-W63 AromaticContact CG-NE1 3.79Å; F61-W63 HydrophobicContact CZ-CH2 4.14Å; F61-W63 AromaticContact CZ-CZ2 3.88Å; F61-W63 HydrophobicContact CZ-CZ2 3.88Å; F61-W63 PolarHBondContact O-N 3.03Å; F61-N64 VanDerWaalsContact O-CB 3.27Å; F61-N64 WeakPolarHBondContact O-CB 3.43Å; F61-N64 PolarHBondContact O-N 2.95Å; F61-F85 AromaticContact CE1-CE1 3.74Å; F61-F85 HydrophobicContact CE1-CE1 3.74Å; F61-F85 HydrophobicContact CE1-CE2 4.34Å; F61-F85 AromaticContact CE1-CZ 3.57Å; F61-F85 HydrophobicContact CE1-CZ 3.57Å; F61-F85 HydrophobicContact CZ-CD1 4.33Å; F61-F85 AromaticContact CZ-CE1 3.82Å; F61-F85 HydrophobicContact CZ-CE1 3.82Å; F61-F85 AromaticContact CZ-CZ 4Å; F61-F85 HydrophobicContact CZ-CZ 4Å; F61-F92 HydrophobicContact CD2-CE1 4.3Å; F61-F92 AromaticContact CE2-CE1 3.46Å; F61-F92 HydrophobicContact CE2-CE1 3.46Å; F61-F92 VanDerWaalsContact CE2-CE1 3.46Å; F61-F92 HydrophobicContact CE2-CZ 4.04Å; F61-F92 AromaticContact CZ-CE1 3.75Å; F61-F92 HydrophobicContact CZ-CE1 3.75Å; F61-F92 AromaticContact CZ-CZ 3.85Å; F61-F92 HydrophobicContact CZ-CZ 3.85Å
62I96.9Very high95.4Very high12 Ų1265.3 Ų65.36%0.06236%0.355CS..Hα-helixtrans-60.6-28.7-179.3-16763000112.9L35 N64 E65 L66 L219 E220 L223L35-I62 HydrophobicContact CD2-CG2 4.36Å; L35-I62 WeakPolarHBondContact O-CB 3.43Å; L35-I62 PolarHBondContact O-N 3.39Å; I62-N64 PolarHBondContact O-N 2.68Å; I62-E65 PolarHBondContact O-N 3.03Å; I62-E65 VanDerWaalsContact O-N 3.11Å; I62-L66 PolarHBondContact O-N 3.27Å; I62-L66 VanDerWaalsContact O-N 3.08Å; I62-L219 HydrophobicContact CG1-CB 4.31Å; I62-L219 HydrophobicContact CG2-CD1 4.21Å; I62-E220 HydrophobicContact CD1-CG 3.94Å; I62-L223 HydrophobicContact CD1-CD1 4.13Å
63W95.9Very high95.7Very high16 Ų1658.4 Ų58.46%0.06132%0.318CS..Hα-helixtrans-65.2-23.5175.358.465.7000113.1L35 F61 E65 L66 K67 T73 Y75 F85 F92 P96 T97L35-W63 HydrophobicContact CB-CZ3 4.36Å; L35-W63 HydrophobicContact CD1-CE3 4.37Å; L35-W63 HydrophobicContact CD1-CH2 3.78Å; L35-W63 HydrophobicContact CD1-CZ3 3.36Å; L35-W63 HydrophobicContact CD2-CE3 3.89Å; L35-W63 HydrophobicContact CD2-CZ3 3.67Å; L35-W63 HydrophobicContact CG-CZ3 4Å; F61-W63 HydrophobicContact CB-CD2 3.64Å; F61-W63 HydrophobicContact CB-CE3 4.33Å; F61-W63 HydrophobicContact CB-CG 4.02Å; F61-W63 HydrophobicContact CB-CH2 4.26Å; F61-W63 HydrophobicContact CB-CZ2 3.56Å; F61-W63 VanDerWaalsContact CB-NE1 3.34Å; F61-W63 AromaticContact CD1-CE2 3.93Å; F61-W63 AromaticContact CD1-CH2 3.39Å; F61-W63 HydrophobicContact CD1-CH2 3.39Å; F61-W63 AromaticContact CD1-CZ2 3.3Å; F61-W63 HydrophobicContact CD1-CZ2 3.3Å; F61-W63 HydrophobicContact CD1-CZ3 4.09Å; F61-W63 AromaticContact CD2-CE2 3.77Å; F61-W63 HydrophobicContact CD2-CH2 4.29Å; F61-W63 AromaticContact CD2-CZ2 3.38Å; F61-W63 HydrophobicContact CD2-CZ2 3.38Å; F61-W63 AromaticContact CD2-NE1 3.9Å; F61-W63 AromaticContact CE1-CH2 3.62Å; F61-W63 HydrophobicContact CE1-CH2 3.62Å; F61-W63 AromaticContact CE1-CZ2 3.69Å; F61-W63 HydrophobicContact CE1-CZ2 3.69Å; F61-W63 HydrophobicContact CE2-CH2 4.45Å; F61-W63 AromaticContact CE2-CZ2 3.74Å; F61-W63 HydrophobicContact CE2-CZ2 3.74Å; F61-W63 HydrophobicContact CG-CD2 4.18Å; F61-W63 AromaticContact CG-CE2 3.39Å; F61-W63 AromaticContact CG-CH2 3.75Å; F61-W63 HydrophobicContact CG-CH2 3.75Å; F61-W63 AromaticContact CG-CZ2 3.12Å; F61-W63 HydrophobicContact CG-CZ2 3.12Å; F61-W63 AromaticContact CG-NE1 3.79Å; F61-W63 HydrophobicContact CZ-CH2 4.14Å; F61-W63 AromaticContact CZ-CZ2 3.88Å; F61-W63 HydrophobicContact CZ-CZ2 3.88Å; F61-W63 PolarHBondContact O-N 3.03Å; W63-E65 VanDerWaalsContact C-N 3.29Å; W63-L66 PolarHBondContact O-N 2.86Å; W63-K67 VanDerWaalsContact O-CB 3.27Å; W63-K67 WeakPolarHBondContact O-CB 3.34Å; W63-K67 PolarHBondContact O-N 2.85Å; W63-T73 HydrophobicContact CB-CG2 3.99Å; W63-Y75 HydrophobicContact CZ3-CD2 4.25Å; W63-F85 HydrophobicContact CH2-CE2 4.37Å; W63-F92 HydrophobicContact CH2-CZ 4.16Å; W63-F92 HydrophobicContact CZ2-CE1 4.03Å; W63-F92 AromaticContact CZ2-CZ 3.95Å; W63-F92 HydrophobicContact CZ2-CZ 3.95Å; W63-P96 HydrophobicContact CZ2-CB 4.01Å; W63-P96 PolarHBondContact NE1-O 3.39Å; W63-T97 HydrophobicContact CB-CG2 4.31Å; W63-T97 HydrophobicContact CD2-CG2 3.95Å; W63-T97 HydrophobicContact CE3-CG2 4.36Å; W63-T97 HydrophobicContact CG-CG2 3.91Å
64N95.9Very high95.6Very high56 Ų5663.9 Ų63.930%0.29935%0.345SS..Hα-helixtrans-66.5-37.2174.3-65.5-31.1000110.6F61 I62 K68F61-N64 VanDerWaalsContact O-CB 3.27Å; F61-N64 WeakPolarHBondContact O-CB 3.43Å; F61-N64 PolarHBondContact O-N 2.95Å; I62-N64 PolarHBondContact O-N 2.68Å; N64-K68 VanDerWaalsContact O-CG 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.41Å; N64-K68 PolarHBondContact O-N 3.15Å; N64-K68 VanDerWaalsContact O-N 3.12Å
65E94.5Very high95.5Very high87 Ų8762.8 Ų62.841%0.40733%0.334SS..Hα-helixtrans-71.8-42.5175-60.2-52.2124.500111.4I62 W63 K67 K68 L69 L223I62-E65 PolarHBondContact O-N 3.03Å; I62-E65 VanDerWaalsContact O-N 3.11Å; W63-E65 VanDerWaalsContact C-N 3.29Å; E65-K67 VanDerWaalsContact C-N 3.32Å; E65-K67 PolarHBondContact O-N 3.14Å; E65-K68 PolarHBondContact O-N 3.4Å; E65-K68 IonicContact OE1-NZ 3.62Å; E65-K68 PolarHBondContact OE1-NZ 3.03Å; E65-K68 IonicContact OE2-NZ 3.46Å; E65-L69 WeakPolarHBondContact O-CG 3.2Å; E65-L69 PolarHBondContact O-N 2.66Å; E65-L69 VanDerWaalsContact O-N 3.09Å; E65-L223 HydrophobicContact CB-CD1 4.29Å
66L93.6Very high95.1Very high47 Ų4759.4 Ų59.425%0.24633%0.332CS..Hα-helixtrans-56.8-45.7173-74.3161000111.6I62 W63 K68 L69 G70 Y71 T73 L223I62-L66 PolarHBondContact O-N 3.27Å; I62-L66 VanDerWaalsContact O-N 3.08Å; W63-L66 PolarHBondContact O-N 2.86Å; L66-K68 PolarHBondContact O-N 2.85Å; L66-L69 CarbonylContact O-C 3.58Å; L66-L69 PolarHBondContact O-N 2.87Å; L66-L69 VanDerWaalsContact O-N 3.13Å; L66-G70 PolarHBondContact O-N 3.05Å; L66-Y71 HydrophobicContact CB-CD2 4.47Å; L66-Y71 HydrophobicContact CD2-CD2 3.86Å; L66-Y71 HydrophobicContact CD2-CE2 4.35Å; L66-Y71 HydrophobicContact CD2-CG 4.12Å; L66-Y71 WeakPolarHBondContact O-CB 3.34Å; L66-Y71 WeakPolarHBondContact O-CD2 3.49Å; L66-Y71 PolarHBondContact O-N 3.12Å; L66-T73 HydrophobicContact CB-CG2 4.17Å; L66-L223 HydrophobicContact CD2-CD2 3.67Å; L66-L223 HydrophobicContact CG-CD2 4.48Å
67K95.1Very high94.5Very high101 Ų10160.7 Ų60.744%0.43934%0.338SS..Hα-helixtrans-62.8-40.9177.9-179.7163.9179.9150.50112.4W63 E65 L69 G70 T73 D98W63-K67 VanDerWaalsContact O-CB 3.27Å; W63-K67 WeakPolarHBondContact O-CB 3.34Å; W63-K67 PolarHBondContact O-N 2.85Å; E65-K67 VanDerWaalsContact C-N 3.32Å; E65-K67 PolarHBondContact O-N 3.14Å; K67-L69 PolarHBondContact O-N 3.36Å; K67-G70 PolarHBondContact O-N 3.3Å; K67-T73 HydrophobicContact CB-CG2 4.3Å; K67-D98 WeakPolarHBondContact CE-OD1 3.39Å; K67-D98 IonicContact NZ-OD1 3.35Å; K67-D98 PolarHBondContact NZ-OD1 3.35Å
68K94.7Very high93.6Very high150 Ų15062.6 Ų62.665%0.65235%0.348SS*.Hα-helixtrans-61.3-32.9174.6-73.4169.1-172.71700112.5N64 E65 L66 G70N64-K68 VanDerWaalsContact O-CG 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.41Å; N64-K68 PolarHBondContact O-N 3.15Å; N64-K68 VanDerWaalsContact O-N 3.12Å; E65-K68 PolarHBondContact O-N 3.4Å; E65-K68 IonicContact OE1-NZ 3.62Å; E65-K68 PolarHBondContact OE1-NZ 3.03Å; E65-K68 IonicContact OE2-NZ 3.46Å; L66-K68 PolarHBondContact O-N 2.85Å; K68-G70 PolarHBondContact O-N 2.92Å
69L92.3Very high92.7Very high107 Ų10759.6 Ų59.656%0.5633%0.332SS*.THydrogen-bonded Turntrans-80.41.8175.5-66.4171.2000113.3E65 L66 K67 Y71 L223E65-L69 WeakPolarHBondContact O-CG 3.2Å; E65-L69 PolarHBondContact O-N 2.66Å; E65-L69 VanDerWaalsContact O-N 3.09Å; L66-L69 CarbonylContact O-C 3.58Å; L66-L69 PolarHBondContact O-N 2.87Å; L66-L69 VanDerWaalsContact O-N 3.13Å; K67-L69 PolarHBondContact O-N 3.36Å; L69-Y71 HydrophobicContact CB-CD2 3.81Å; L69-Y71 HydrophobicContact CB-CE2 3.86Å; L69-Y71 HydrophobicContact CD1-CE2 4.48Å; L69-L223 HydrophobicContact CD1-CB 4.39Å; L69-L223 HydrophobicContact CD1-CD1 4.2Å; L69-L223 HydrophobicContact CD1-CD2 3.69Å; L69-L223 HydrophobicContact CD1-CG 4.31Å
70G92.8Very high92Very high67 Ų6759.8 Ų59.869%0.69133%0.334SS*.THydrogen-bonded Turntrans88.38.2175.800000115L66 K67 K68L66-G70 PolarHBondContact O-N 3.05Å; K67-G70 PolarHBondContact O-N 3.3Å; K68-G70 PolarHBondContact O-N 2.92Å
71Y92.3Very high91.2Very high132 Ų13263.3 Ų63.352%0.51834%0.342SS..  trans-75.2138.5174.6-66.4-85.4000111.1L66 L69 L223L66-Y71 HydrophobicContact CB-CD2 4.47Å; L66-Y71 HydrophobicContact CD2-CD2 3.86Å; L66-Y71 HydrophobicContact CD2-CE2 4.35Å; L66-Y71 HydrophobicContact CD2-CG 4.12Å; L66-Y71 WeakPolarHBondContact O-CB 3.34Å; L66-Y71 WeakPolarHBondContact O-CD2 3.49Å; L66-Y71 PolarHBondContact O-N 3.12Å; L69-Y71 HydrophobicContact CB-CD2 3.81Å; L69-Y71 HydrophobicContact CB-CE2 3.86Å; L69-Y71 HydrophobicContact CD1-CE2 4.48Å; Y71-L223 HydrophobicContact CE2-CD2 4.49Å
72A94Very high90.6Very high85 Ų8568.6 Ų68.670%0.70237%0.369SS*.  trans-69.3135.9166.700000110
73T96.4Very high90.2Very high9 Ų968 Ų686%0.05537%0.367CS..  trans-119.7136.9-17657.70000111.3W63 L66 K67 T97 D98 H99W63-T73 HydrophobicContact CB-CG2 3.99Å; L66-T73 HydrophobicContact CB-CG2 4.17Å; K67-T73 HydrophobicContact CB-CG2 4.3Å; T73-T97 WeakPolarHBondContact OG1-CA 3.28Å; T73-T97 WeakPolarHBondContact OG1-CB 3.43Å; T73-D98 PolarHBondContact N-OD2 3.39Å; T73-D98 WeakPolarHBondContact O-CB 3.42Å; T73-D98 PolarHBondContact O-N 3.08Å; T73-D98 PolarHBondContact OG1-N 3.18Å; T73-D98 PolarHBondContact OG1-OD2 3.19Å; T73-H99 PolarHBondContact O-N 2.95Å
74L94.7Very high90.1Very high127 Ų12767.7 Ų67.767%0.66537%0.367SS*.EExtended strand (participates in β ladder)trans-130136.3175.7-176.6149.7000110H99L74-H99 WeakPolarHBondContact CA-O 3.28Å; L74-H99 HydrophobicContact CB-CB 4.03Å; L74-H99 HydrophobicContact CD1-CB 3.72Å; L74-H99 HydrophobicContact CG-CB 3.8Å
75Y93.8Very high90Very high24 Ų2465 Ų659%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-130126.7170-176.7-122.2000109.5W63 E77 F85 F92 T97 H99 Y100 M101W63-Y75 HydrophobicContact CZ3-CD2 4.25Å; Y75-E77 HydrophobicContact CE1-CG 3.74Å; Y75-E77 WeakPolarHBondContact CE1-OE2 3.48Å; Y75-E77 HydrophobicContact CE2-CG 3.98Å; Y75-E77 VanDerWaalsContact CZ-CD 3.46Å; Y75-E77 WeakPolarHBondContact OH-CG 3.44Å; Y75-E77 PolarHBondContact OH-OE1 3.15Å; Y75-E77 PolarHBondContact OH-OE2 3.21Å; Y75-F85 AromaticContact CE1-CD2 3.94Å; Y75-F85 HydrophobicContact CE1-CD2 3.94Å; Y75-F85 HydrophobicContact CE1-CE2 4.17Å; Y75-F85 HydrophobicContact CE2-CE2 4.4Å; Y75-F85 AromaticContact CZ-CD2 3.8Å; Y75-F85 AromaticContact CZ-CE2 3.67Å; Y75-F85 WeakPolarHBondContact OH-CD2 3.31Å; Y75-F85 WeakPolarHBondContact OH-CE2 3.16Å; Y75-F92 HydrophobicContact CE1-CE2 4.15Å; Y75-T97 WeakPolarHBondContact CB-OG1 3.4Å; Y75-T97 PolarHBondContact N-OG1 2.67Å; Y75-H99 PolarHBondContact N-O 2.98Å; Y75-Y100 AromaticContact CD1-CD2 3.83Å; Y75-Y100 HydrophobicContact CD1-CD2 3.83Å; Y75-Y100 AromaticContact CD1-CE2 3.44Å; Y75-Y100 HydrophobicContact CD1-CE2 3.44Å; Y75-Y100 VanDerWaalsContact CD1-CE2 3.44Å; Y75-Y100 AromaticContact CE1-CE2 3.94Å; Y75-Y100 HydrophobicContact CE1-CE2 3.94Å; Y75-Y100 WeakPolarHBondContact O-CA 3.29Å; Y75-Y100 WeakPolarHBondContact O-CD2 3.49Å; Y75-M101 PolarHBondContact O-N 2.9Å
76G89.3Confident89.9Confident37 Ų3761.5 Ų61.538%0.38134%0.337SS..  trans-135.9130.6179.500000110
77E85.4Confident89.8Confident27 Ų2766.6 Ų66.613%0.12635%0.354CS..  trans-130.5155.6174.7-68.5-163.591.800109.8Y75 G79 T84 Y105Y75-E77 HydrophobicContact CE1-CG 3.74Å; Y75-E77 WeakPolarHBondContact CE1-OE2 3.48Å; Y75-E77 HydrophobicContact CE2-CG 3.98Å; Y75-E77 VanDerWaalsContact CZ-CD 3.46Å; Y75-E77 WeakPolarHBondContact OH-CG 3.44Å; Y75-E77 PolarHBondContact OH-OE1 3.15Å; Y75-E77 PolarHBondContact OH-OE2 3.21Å; E77-G79 PolarHBondContact O-N 3.28Å; E77-T84 WeakPolarHBondContact OE1-CA 3.22Å; E77-T84 WeakPolarHBondContact OE1-CB 3.48Å; E77-T84 PolarHBondContact OE1-N 2.93Å; E77-T84 PolarHBondContact OE1-OG1 3.21Å; E77-T84 PolarHBondContact OE2-N 3.22Å; E77-Y105 WeakPolarHBondContact O-CD2 3.41Å; E77-Y105 WeakPolarHBondContact O-CE2 3.34Å
78D77.2Confident89.8Confident87 Ų8765.6 Ų65.647%0.46535%0.347SS..SBendtrans-87.889.6-172.784.1-67.5000108.6H127D78-H127 WeakPolarHBondContact CB-CE1 3.47Å; D78-H127 WeakPolarHBondContact CB-NE2 3.3Å; D78-H127 IonicContact OD2-CD2 3.46Å; D78-H127 IonicContact OD2-CE1 2.76Å; D78-H127 IonicContact OD2-NE2 3.23Å; D78-H127 PolarHBondContact OD2-NE2 2.86Å
79G79.3Confident89.8Confident8 Ų858.4 Ų58.48%0.08232%0.316CS..  trans100.2135.7-179.300000114.9E77 E109E77-G79 PolarHBondContact O-N 3.28Å; G79-E109 VanDerWaalsContact C-OE1 3.27Å; G79-E109 WeakPolarHBondContact CA-OE1 3.34Å
80A82Confident89.9Confident7 Ų756.2 Ų56.26%0.05830%0.302CS..SBendtrans-82.1-30-175.200000113.3T86 R102 R106 E109A80-T86 WeakPolarHBondContact O-CB 3.4Å; A80-T86 PolarHBondContact O-OG1 2.89Å; A80-R102 HydrophobicContact CB-CG 4.05Å; A80-R106 HydrophobicContact CB-CB 4.38Å; A80-R106 HydrophobicContact CB-CG 3.47Å; A80-R106 VanDerWaalsContact CB-CG 3.47Å; A80-E109 PolarHBondContact N-OE1 2.94Å
81K81.2Confident90Very high139 Ų13953.2 Ų53.260%0.60427%0.271SS*.SBendtrans-86.3-27.4-178.2-75.6171.2-172.7173.40114.4E109K81-E109 VanDerWaalsContact CG-OE2 3.28Å; K81-E109 WeakPolarHBondContact CG-OE2 3.37Å; K81-E109 PolarHBondContact N-OE2 3.01Å
82I85.4Confident90.1Very high115 Ų11548.1 Ų48.159%0.5925%0.252SS*.SBendtrans-11611.1-17360169.9000114.1Y87I82-Y87 HydrophobicContact CB-CD2 4.45Å; I82-Y87 HydrophobicContact CG2-CD2 4.05Å; I82-Y87 HydrophobicContact CG2-CE2 4.36Å
83G88.9Confident90.1Very high1 Ų151.4 Ų51.41%0.0125%0.25CS..SBendtrans-64.6160.5177.900000113.8F85 T86 Y87G83-F85 PolarHBondContact O-N 3.47Å; G83-F85 VanDerWaalsContact O-N 3.1Å; G83-T86 PolarHBondContact N-OG1 2.64Å; G83-T86 PolarHBondContact O-N 2.81Å; G83-Y87 WeakPolarHBondContact O-CB 3.32Å; G83-Y87 PolarHBondContact O-N 2.87Å
84T92.7Very high90.1Very high9 Ų960.3 Ų60.36%0.05528%0.283CS..THydrogen-bonded Turntrans-46.4-44.1-177.9-60.60000112.7T27 T28 I31 E77T27-T84 HydrophobicContact CG2-CG2 4.4Å; T27-T84 WeakPolarHBondContact CG2-OG1 3.45Å; T28-T84 HydrophobicContact CG2-CG2 4.42Å; T28-T84 PolarHBondContact OG1-O 3.19Å; I31-T84 HydrophobicContact CB-CG2 3.91Å; I31-T84 HydrophobicContact CG1-CG2 4.49Å; I31-T84 HydrophobicContact CG2-CG2 3.94Å; E77-T84 WeakPolarHBondContact OE1-CA 3.22Å; E77-T84 WeakPolarHBondContact OE1-CB 3.48Å; E77-T84 PolarHBondContact OE1-N 2.93Å; E77-T84 PolarHBondContact OE1-OG1 3.21Å; E77-T84 PolarHBondContact OE2-N 3.22Å
85F94.8Very high90Very high0 Ų059.8 Ų59.80%028%0.277CS..THydrogen-bonded Turntrans-101.6-9.9-177.2-58.5-72.1000113.8I31 I32 L35 V56 Y59 F61 W63 Y75 G83 L89 G91 F92I31-F85 HydrophobicContact CG2-CE2 4.23Å; I31-F85 HydrophobicContact CG2-CZ 4.09Å; I32-F85 HydrophobicContact CD1-CE1 4.32Å; I32-F85 HydrophobicContact CG1-CE1 3.74Å; I32-F85 HydrophobicContact CG1-CZ 4.37Å; L35-F85 HydrophobicContact CD1-CE2 4.13Å; L35-F85 HydrophobicContact CD1-CZ 3.92Å; V56-F85 HydrophobicContact CB-CD1 4.39Å; V56-F85 HydrophobicContact CG1-CB 4.47Å; V56-F85 HydrophobicContact CG1-CD1 4.15Å; V56-F85 HydrophobicContact CG2-CB 4.04Å; V56-F85 HydrophobicContact CG2-CD1 4.3Å; V56-F85 HydrophobicContact CG2-CG 4.33Å; Y59-F85 HydrophobicContact CD2-CE1 4.49Å; F61-F85 AromaticContact CE1-CE1 3.74Å; F61-F85 HydrophobicContact CE1-CE1 3.74Å; F61-F85 HydrophobicContact CE1-CE2 4.34Å; F61-F85 AromaticContact CE1-CZ 3.57Å; F61-F85 HydrophobicContact CE1-CZ 3.57Å; F61-F85 HydrophobicContact CZ-CD1 4.33Å; F61-F85 AromaticContact CZ-CE1 3.82Å; F61-F85 HydrophobicContact CZ-CE1 3.82Å; F61-F85 AromaticContact CZ-CZ 4Å; F61-F85 HydrophobicContact CZ-CZ 4Å; W63-F85 HydrophobicContact CH2-CE2 4.37Å; Y75-F85 AromaticContact CE1-CD2 3.94Å; Y75-F85 HydrophobicContact CE1-CD2 3.94Å; Y75-F85 HydrophobicContact CE1-CE2 4.17Å; Y75-F85 HydrophobicContact CE2-CE2 4.4Å; Y75-F85 AromaticContact CZ-CD2 3.8Å; Y75-F85 AromaticContact CZ-CE2 3.67Å; Y75-F85 WeakPolarHBondContact OH-CD2 3.31Å; Y75-F85 WeakPolarHBondContact OH-CE2 3.16Å; G83-F85 PolarHBondContact O-N 3.47Å; G83-F85 VanDerWaalsContact O-N 3.1Å; F85-L89 HydrophobicContact CD1-CD1 4.14Å; F85-L89 CarbonylContact O-C 3.48Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.44Å; F85-G91 WeakPolarHBondContact O-CA 3.43Å; F85-G91 PolarHBondContact O-N 2.81Å; F85-F92 HydrophobicContact CB-CD2 4.37Å; F85-F92 HydrophobicContact CB-CE2 3.76Å; F85-F92 HydrophobicContact CB-CZ 4.31Å; F85-F92 AromaticContact CD2-CE2 3.61Å; F85-F92 HydrophobicContact CD2-CE2 3.61Å; F85-F92 AromaticContact CD2-CZ 3.74Å; F85-F92 HydrophobicContact CD2-CZ 3.74Å; F85-F92 HydrophobicContact CE2-CE2 4.44Å; F85-F92 HydrophobicContact CE2-CZ 4.18Å; F85-F92 AromaticContact CG-CE2 3.82Å; F85-F92 HydrophobicContact CG-CE2 3.82Å; F85-F92 AromaticContact CG-CZ 3.96Å; F85-F92 HydrophobicContact CG-CZ 3.96Å
86T91.7Very high90.1Very high13 Ų1359.4 Ų59.48%0.0828%0.277CS..THydrogen-bonded Turntrans-110.8-15.4-173.559.40000113.7K48 A80 G83K48-T86 WeakPolarHBondContact CE-O 3.3Å; K48-T86 PolarHBondContact NZ-O 3.45Å; A80-T86 WeakPolarHBondContact O-CB 3.4Å; A80-T86 PolarHBondContact O-OG1 2.89Å; G83-T86 PolarHBondContact N-OG1 2.64Å; G83-T86 PolarHBondContact O-N 2.81Å
87Y92.1Very high90.5Very high153 Ų15357.7 Ų57.760%0.626%0.26SS*.SBendtrans-72.5-70.5179.5-176.7-125.3000112K48 I82 G83K48-Y87 WeakPolarHBondContact CD-O 3.19Å; K48-Y87 VanDerWaalsContact CE-O 3.27Å; K48-Y87 WeakPolarHBondContact CE-O 3.23Å; K48-Y87 PolarHBondContact NZ-O 2.85Å; I82-Y87 HydrophobicContact CB-CD2 4.45Å; I82-Y87 HydrophobicContact CG2-CD2 4.05Å; I82-Y87 HydrophobicContact CG2-CE2 4.36Å; G83-Y87 WeakPolarHBondContact O-CB 3.32Å; G83-Y87 PolarHBondContact O-N 2.87Å
88R94.2Very high91Very high80 Ų8059.1 Ų59.130%0.30227%0.268SS..SBendtrans-96.5-20.2-178.568.3-172.3-172.586.5-12.2114.1T28 E40 K48T28-R88 PolarHBondContact OG1-NE 2.87Å; T28-R88 VanDerWaalsContact OG1-NE 3.13Å; E40-R88 IonicContact OE1-CZ 3.87Å; E40-R88 IonicContact OE1-NH1 3.39Å; E40-R88 PolarHBondContact OE1-NH1 3.26Å; E40-R88 IonicContact OE1-NH2 3.13Å; E40-R88 IonicContact OE2-CZ 3.81Å; E40-R88 IonicContact OE2-NH1 3.94Å; E40-R88 PolarHBondContact OE2-NH1 2.82Å; E40-R88 IonicContact OE2-NH2 3.64Å; E40-R88 PolarHBondContact OE2-NH2 3.25Å; K48-R88 PolarHBondContact N-O 2.99Å
89L95.2Very high91.8Very high0 Ų060.3 Ų60.30%027%0.27CS..BIsolated β-bridgetrans-98.5158.8178.1-49-178.4000110.7T28 I32 E40 T46 L47 K48 V56 Y59 F85 G91T28-L89 HydrophobicContact CG2-CD1 4.16Å; I32-L89 HydrophobicContact CD1-CD1 4.14Å; E40-L89 WeakPolarHBondContact OE1-CD2 3.37Å; T46-L89 CarbonylContact O-C 3.55Å; T46-L89 WeakPolarHBondContact O-CA 3.4Å; L47-L89 HydrophobicContact CD2-CD2 3.83Å; L47-L89 HydrophobicContact CG-CD2 4.35Å; K48-L89 WeakPolarHBondContact CE-O 3.41Å; V56-L89 HydrophobicContact CG1-CB 3.95Å; V56-L89 HydrophobicContact CG1-CD1 3.92Å; Y59-L89 HydrophobicContact CE2-CD1 4.47Å; F85-L89 HydrophobicContact CD1-CD1 4.14Å; F85-L89 CarbonylContact O-C 3.48Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.44Å; L89-G91 PolarHBondContact O-N 3.3Å
90K95.2Very high92.4Very high60 Ų6061.5 Ų61.526%0.26127%0.273SS..  trans-62.5-10.3-178.3-73.8-171.3177.1178.90113.7T46 K48 V50 E51 A53 Y55T46-K90 PolarHBondContact O-N 2.78Å; K48-K90 HydrophobicContact CG-CG 4.46Å; V50-K90 WeakPolarHBondContact O-CE 3.25Å; V50-K90 PolarHBondContact O-NZ 3.03Å; E51-K90 PolarHBondContact O-NZ 3.12Å; A53-K90 HydrophobicContact CB-CD 4.23Å; A53-K90 WeakPolarHBondContact O-CD 3.2Å; A53-K90 WeakPolarHBondContact O-CE 3.04Å; A53-K90 PolarHBondContact O-NZ 3.22Å; Y55-K90 HydrophobicContact CD1-CB 4.04Å; Y55-K90 WeakPolarHBondContact CD1-O 3.49Å; Y55-K90 HydrophobicContact CE1-CB 4.41Å; Y55-K90 HydrophobicContact CG-CB 4.41Å
91G94.2Very high92.7Very high4 Ų465 Ų654%0.04129%0.289CS..  trans74.5-169.4-17700000112.4Y55 V56 F85 L89Y55-G91 WeakPolarHBondContact CB-O 3.41Å; Y55-G91 WeakPolarHBondContact CD1-O 3.36Å; V56-G91 VanDerWaalsContact CG2-C 3.43Å; V56-G91 VanDerWaalsContact CG2-O 3.24Å; V56-G91 WeakPolarHBondContact CG2-O 3.42Å; V56-G91 PolarHBondContact N-O 3.16Å; F85-G91 WeakPolarHBondContact O-CA 3.43Å; F85-G91 PolarHBondContact O-N 2.81Å; L89-G91 PolarHBondContact O-N 3.3Å
92F94.9Very high93Very high25 Ų2562 Ų6211%0.1127%0.274CS..  trans-90.9132.9178.7-61.1-85.1000110.7V56 D57 F61 W63 Y75 F85 R94 P96 Y100V56-F92 HydrophobicContact CG2-CB 4.47Å; V56-F92 HydrophobicContact CG2-CD1 3.41Å; V56-F92 VanDerWaalsContact CG2-CD1 3.41Å; V56-F92 HydrophobicContact CG2-CD2 3.93Å; V56-F92 HydrophobicContact CG2-CE1 3.44Å; V56-F92 VanDerWaalsContact CG2-CE1 3.44Å; V56-F92 HydrophobicContact CG2-CE2 3.94Å; V56-F92 HydrophobicContact CG2-CG 3.67Å; V56-F92 HydrophobicContact CG2-CZ 3.71Å; D57-F92 WeakPolarHBondContact OD2-CA 3.45Å; F61-F92 HydrophobicContact CD2-CE1 4.3Å; F61-F92 AromaticContact CE2-CE1 3.46Å; F61-F92 HydrophobicContact CE2-CE1 3.46Å; F61-F92 VanDerWaalsContact CE2-CE1 3.46Å; F61-F92 HydrophobicContact CE2-CZ 4.04Å; F61-F92 AromaticContact CZ-CE1 3.75Å; F61-F92 HydrophobicContact CZ-CE1 3.75Å; F61-F92 AromaticContact CZ-CZ 3.85Å; F61-F92 HydrophobicContact CZ-CZ 3.85Å; W63-F92 HydrophobicContact CH2-CZ 4.16Å; W63-F92 HydrophobicContact CZ2-CE1 4.03Å; W63-F92 AromaticContact CZ2-CZ 3.95Å; W63-F92 HydrophobicContact CZ2-CZ 3.95Å; Y75-F92 HydrophobicContact CE1-CE2 4.15Å; F85-F92 HydrophobicContact CB-CD2 4.37Å; F85-F92 HydrophobicContact CB-CE2 3.76Å; F85-F92 HydrophobicContact CB-CZ 4.31Å; F85-F92 AromaticContact CD2-CE2 3.61Å; F85-F92 HydrophobicContact CD2-CE2 3.61Å; F85-F92 AromaticContact CD2-CZ 3.74Å; F85-F92 HydrophobicContact CD2-CZ 3.74Å; F85-F92 HydrophobicContact CE2-CE2 4.44Å; F85-F92 HydrophobicContact CE2-CZ 4.18Å; F85-F92 AromaticContact CG-CE2 3.82Å; F85-F92 HydrophobicContact CG-CE2 3.82Å; F85-F92 AromaticContact CG-CZ 3.96Å; F85-F92 HydrophobicContact CG-CZ 3.96Å; F92-R94 VanDerWaalsContact CB-O 3.31Å; F92-R94 WeakPolarHBondContact CB-O 3.07Å; F92-P96 HydrophobicContact CD1-CB 3.61Å; F92-P96 HydrophobicContact CD1-CG 3.96Å; F92-P96 HydrophobicContact CD2-CG 4.03Å; F92-P96 HydrophobicContact CE1-CB 3.51Å; F92-P96 HydrophobicContact CE1-CG 4Å; F92-P96 HydrophobicContact CE2-CB 4.48Å; F92-P96 HydrophobicContact CE2-CG 4.09Å; F92-P96 HydrophobicContact CG-CB 4.14Å; F92-P96 HydrophobicContact CG-CG 3.97Å; F92-P96 HydrophobicContact CZ-CB 3.98Å; F92-P96 HydrophobicContact CZ-CG 4.08Å; F92-Y100 HydrophobicContact CD2-CE1 4.46Å
93K94.5Very high92.9Very high154 Ų15460.9 Ų60.967%0.6727%0.272SS*.SBendtrans-80.3-39170.8-169173-175.91760111Y55 D57Y55-K93 HydrophobicContact CD1-CB 3.88Å; Y55-K93 HydrophobicContact CD2-CB 4Å; Y55-K93 HydrophobicContact CD2-CD 3.93Å; Y55-K93 HydrophobicContact CD2-CG 4.36Å; Y55-K93 HydrophobicContact CE1-CB 4.33Å; Y55-K93 HydrophobicContact CE2-CB 4.43Å; Y55-K93 HydrophobicContact CE2-CD 3.96Å; Y55-K93 HydrophobicContact CE2-CG 4.38Å; Y55-K93 HydrophobicContact CG-CB 3.7Å; D57-K93 PolarHBondContact OD1-N 3.29Å; D57-K93 PolarHBondContact OD2-N 2.95Å
94R94.7Very high92.6Very high196 Ų19665.5 Ų65.574%0.7429%0.292SS*.SBendtrans-111.3159.5175.6-56.9-178.8-129.1-167.60.8110.3D57 F92 P96D57-R94 WeakPolarHBondContact OD1-CB 3.3Å; D57-R94 PolarHBondContact OD1-N 2.75Å; F92-R94 VanDerWaalsContact CB-O 3.31Å; F92-R94 WeakPolarHBondContact CB-O 3.07Å; R94-P96 WeakPolarHBondContact O-CD 3.14Å
95Q94Very high92.1Very high117 Ų11766.2 Ų66.255%0.54729%0.294SS..  trans-63.9123.3175.9-168.6177.7-55.800110.1T97 D98 Y100Q95-T97 WeakPolarHBondContact CG-O 3.14Å; Q95-T97 PolarHBondContact NE2-O 3.3Å; Q95-D98 PolarHBondContact NE2-O 2.88Å; Q95-Y100 HydrophobicContact CG-CD1 4.23Å; Q95-Y100 HydrophobicContact CG-CG 4.44Å
96P95.3Very high91.5Very high15 Ų1573.5 Ų73.510%0.09732%0.321CS..  trans-78.7-27.9-17128.5-34.2000114.4W63 F92 R94 Y100W63-P96 HydrophobicContact CZ2-CB 4.01Å; W63-P96 PolarHBondContact NE1-O 3.39Å; F92-P96 HydrophobicContact CD1-CB 3.61Å; F92-P96 HydrophobicContact CD1-CG 3.96Å; F92-P96 HydrophobicContact CD2-CG 4.03Å; F92-P96 HydrophobicContact CE1-CB 3.51Å; F92-P96 HydrophobicContact CE1-CG 4Å; F92-P96 HydrophobicContact CE2-CB 4.48Å; F92-P96 HydrophobicContact CE2-CG 4.09Å; F92-P96 HydrophobicContact CG-CB 4.14Å; F92-P96 HydrophobicContact CG-CG 3.97Å; F92-P96 HydrophobicContact CZ-CB 3.98Å; F92-P96 HydrophobicContact CZ-CG 4.08Å; R94-P96 WeakPolarHBondContact O-CD 3.14Å; P96-Y100 HydrophobicContact CG-CD1 4.21Å; P96-Y100 HydrophobicContact CG-CD2 4.31Å; P96-Y100 HydrophobicContact CG-CE1 4.26Å; P96-Y100 HydrophobicContact CG-CE2 4.43Å; P96-Y100 HydrophobicContact CG-CG 4.22Å
97T96.6Very high90.9Very high2 Ų278.6 Ų78.61%0.01235%0.346CS..SBendtrans-133.7167.1-174.2510000110.1W63 T73 Y75 Q95 H99W63-T97 HydrophobicContact CB-CG2 4.31Å; W63-T97 HydrophobicContact CD2-CG2 3.95Å; W63-T97 HydrophobicContact CE3-CG2 4.36Å; W63-T97 HydrophobicContact CG-CG2 3.91Å; T73-T97 WeakPolarHBondContact OG1-CA 3.28Å; T73-T97 WeakPolarHBondContact OG1-CB 3.43Å; Y75-T97 WeakPolarHBondContact CB-OG1 3.4Å; Y75-T97 PolarHBondContact N-OG1 2.67Å; Q95-T97 WeakPolarHBondContact CG-O 3.14Å; Q95-T97 PolarHBondContact NE2-O 3.3Å; T97-H99 VanDerWaalsContact C-N 3.28Å; T97-H99 PolarHBondContact O-N 3Å; T97-H99 PolarHBondContact OG1-O 3.23Å
98D95.8Very high90Very high56 Ų5672.2 Ų72.230%0.29932%0.322SS..SBendtrans-63.9-36.1179.8-54-58.9000112.2K67 T73 Q95K67-D98 WeakPolarHBondContact CE-OD1 3.39Å; K67-D98 IonicContact NZ-OD1 3.35Å; K67-D98 PolarHBondContact NZ-OD1 3.35Å; T73-D98 PolarHBondContact N-OD2 3.39Å; T73-D98 WeakPolarHBondContact O-CB 3.42Å; T73-D98 PolarHBondContact O-N 3.08Å; T73-D98 PolarHBondContact OG1-N 3.18Å; T73-D98 PolarHBondContact OG1-OD2 3.19Å; Q95-D98 PolarHBondContact NE2-O 2.88Å
99H94.3Very high89.1Confident112 Ų11271.1 Ų71.152%0.51932%0.321SS..EExtended strand (participates in β ladder)trans-118.4122.2171.8-55.9-75.6000109.8T73 L74 Y75 T97T73-H99 PolarHBondContact O-N 2.95Å; L74-H99 WeakPolarHBondContact CA-O 3.28Å; L74-H99 HydrophobicContact CB-CB 4.03Å; L74-H99 HydrophobicContact CD1-CB 3.72Å; L74-H99 HydrophobicContact CG-CB 3.8Å; Y75-H99 PolarHBondContact N-O 2.98Å; T97-H99 VanDerWaalsContact C-N 3.28Å; T97-H99 PolarHBondContact O-N 3Å; T97-H99 PolarHBondContact OG1-O 3.23Å
100Y92.9Very high87.9Confident33 Ų3373.9 Ų73.913%0.12935%0.349CS..EExtended strand (participates in β ladder)trans-128.2108.8179.3-174.7-150.6000111.5Y75 F92 Q95 P96 R102Y75-Y100 AromaticContact CD1-CD2 3.83Å; Y75-Y100 HydrophobicContact CD1-CD2 3.83Å; Y75-Y100 AromaticContact CD1-CE2 3.44Å; Y75-Y100 HydrophobicContact CD1-CE2 3.44Å; Y75-Y100 VanDerWaalsContact CD1-CE2 3.44Å; Y75-Y100 AromaticContact CE1-CE2 3.94Å; Y75-Y100 HydrophobicContact CE1-CE2 3.94Å; Y75-Y100 WeakPolarHBondContact O-CA 3.29Å; Y75-Y100 WeakPolarHBondContact O-CD2 3.49Å; F92-Y100 HydrophobicContact CD2-CE1 4.46Å; Q95-Y100 HydrophobicContact CG-CD1 4.23Å; Q95-Y100 HydrophobicContact CG-CG 4.44Å; P96-Y100 HydrophobicContact CG-CD1 4.21Å; P96-Y100 HydrophobicContact CG-CD2 4.31Å; P96-Y100 HydrophobicContact CG-CE1 4.26Å; P96-Y100 HydrophobicContact CG-CE2 4.43Å; P96-Y100 HydrophobicContact CG-CG 4.22Å; Y100-R102 HydrophobicContact CD1-CB 3.89Å; Y100-R102 HydrophobicContact CD2-CB 4.05Å; Y100-R102 HydrophobicContact CE1-CB 3.5Å; Y100-R102 HydrophobicContact CE1-CG 4.15Å; Y100-R102 HydrophobicContact CE2-CB 3.63Å; Y100-R102 HydrophobicContact CG-CB 4.17Å; Y100-R102 PolarHBondContact O-N 2.99Å; Y100-R102 WeakPolarHBondContact OH-CD 3.44Å
101M88.7Confident86.4Confident82 Ų8273.5 Ų73.540%0.40435%0.354SS..THydrogen-bonded Turntrans-68.8-9.2-171.2-160.2171.7174.400114Y75 V103 F104 Y105Y75-M101 PolarHBondContact O-N 2.9Å; M101-V103 PolarHBondContact O-N 3.44Å; M101-V103 VanDerWaalsContact O-N 3.12Å; M101-F104 HydrophobicContact CE-CD1 3.95Å; M101-F104 HydrophobicContact CE-CE1 4.22Å; M101-F104 HydrophobicContact CG-CB 4.33Å; M101-F104 WeakPolarHBondContact O-CB 3.35Å; M101-F104 PolarHBondContact O-N 3.34Å; M101-Y105 HydrophobicContact CE-CE2 3.65Å; M101-Y105 HydrophobicContact CG-CD2 4.04Å; M101-Y105 HydrophobicContact CG-CE2 3.8Å; M101-Y105 PolarHBondContact O-N 3Å; M101-Y105 HydrophobicContact SD-CE2 3.74Å
102R86.6Confident84.6Confident76 Ų7681.3 Ų81.329%0.28740%0.395SS..Hα-helixtrans-56.2-31.8-179.7178.9170.7178.9-93.33.5113.7A80 Y100 F104 Y105 R106A80-R102 HydrophobicContact CB-CG 4.05Å; Y100-R102 HydrophobicContact CD1-CB 3.89Å; Y100-R102 HydrophobicContact CD2-CB 4.05Å; Y100-R102 HydrophobicContact CE1-CB 3.5Å; Y100-R102 HydrophobicContact CE1-CG 4.15Å; Y100-R102 HydrophobicContact CE2-CB 3.63Å; Y100-R102 HydrophobicContact CG-CB 4.17Å; Y100-R102 PolarHBondContact O-N 2.99Å; Y100-R102 WeakPolarHBondContact OH-CD 3.44Å; R102-F104 VanDerWaalsContact C-N 3.32Å; R102-F104 PolarHBondContact O-N 2.66Å; R102-Y105 PolarHBondContact O-N 2.89Å; R102-R106 HydrophobicContact CG-CG 4.17Å; R102-R106 WeakPolarHBondContact O-CG 3.36Å; R102-R106 PolarHBondContact O-N 3.1Å
103V83.4Confident82.6Confident90 Ų9083.4 Ų83.455%0.54542%0.424SS..Hα-helixtrans-60.6-44.3178.1177.80000110.7M101 R106 M107M101-V103 PolarHBondContact O-N 3.44Å; M101-V103 VanDerWaalsContact O-N 3.12Å; V103-R106 PolarHBondContact O-N 3.43Å; V103-M107 HydrophobicContact CG1-CE 4.35Å; V103-M107 PolarHBondContact O-N 3.21Å
104F83.8Confident80.6Confident98 Ų9881 Ų8143%0.4341%0.411SS..Hα-helixtrans-58.1-53.4174.9172.8-94.7000111M101 R102 R106 M107 T108M101-F104 HydrophobicContact CE-CD1 3.95Å; M101-F104 HydrophobicContact CE-CE1 4.22Å; M101-F104 HydrophobicContact CG-CB 4.33Å; M101-F104 WeakPolarHBondContact O-CB 3.35Å; M101-F104 PolarHBondContact O-N 3.34Å; R102-F104 VanDerWaalsContact C-N 3.32Å; R102-F104 PolarHBondContact O-N 2.66Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 3.37Å; F104-M107 WeakPolarHBondContact O-CB 3.11Å; F104-M107 PolarHBondContact O-N 3.06Å; F104-T108 HydrophobicContact CD1-CG2 4.37Å; F104-T108 HydrophobicContact CE1-CG2 3.97Å; F104-T108 HydrophobicContact CE2-CG2 4.24Å; F104-T108 HydrophobicContact CZ-CG2 3.9Å; F104-T108 PolarHBondContact O-N 2.6Å; F104-T108 VanDerWaalsContact O-N 3.1Å
105Y82Confident78.9Confident25 Ų2581.9 Ų81.910%0.09842%0.415CS..Hα-helixtrans-64.8-30.6-178-76.7-74.9000114E77 M101 R102 M107 T108 E109 H127E77-Y105 WeakPolarHBondContact O-CD2 3.41Å; E77-Y105 WeakPolarHBondContact O-CE2 3.34Å; M101-Y105 HydrophobicContact CE-CE2 3.65Å; M101-Y105 HydrophobicContact CG-CD2 4.04Å; M101-Y105 HydrophobicContact CG-CE2 3.8Å; M101-Y105 PolarHBondContact O-N 3Å; M101-Y105 HydrophobicContact SD-CE2 3.74Å; R102-Y105 PolarHBondContact O-N 2.89Å; Y105-M107 VanDerWaalsContact C-N 3.33Å; Y105-T108 WeakPolarHBondContact CA-OG1 3.32Å; Y105-T108 PolarHBondContact O-OG1 3.12Å; Y105-E109 VanDerWaalsContact O-CB 3.27Å; Y105-E109 WeakPolarHBondContact O-CB 3.19Å; Y105-E109 VanDerWaalsContact O-CG 3.24Å; Y105-E109 WeakPolarHBondContact O-CG 3.39Å; Y105-E109 PolarHBondContact O-N 2.71Å; Y105-H127 AromaticContact CE1-CE1 3.94Å
106R81.2Confident77.7Confident152 Ų15282.9 Ų82.957%0.57442%0.423SS*.Hα-helixtrans-65-38.6173.1-77.6-17471.4-164.20.3112.2A80 R102 V103 F104 G110A80-R106 HydrophobicContact CB-CB 4.38Å; A80-R106 HydrophobicContact CB-CG 3.47Å; A80-R106 VanDerWaalsContact CB-CG 3.47Å; R102-R106 HydrophobicContact CG-CG 4.17Å; R102-R106 WeakPolarHBondContact O-CG 3.36Å; R102-R106 PolarHBondContact O-N 3.1Å; V103-R106 PolarHBondContact O-N 3.43Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 3.37Å; R106-G110 PolarHBondContact O-N 3.36Å
107M78.5Confident76.5Confident121 Ų12184 Ų8460%0.59643%0.431SS*.Hα-helixtrans-69.5-41178.6-68.4-168.6-67.500111.3V103 F104 Y105 S111V103-M107 HydrophobicContact CG1-CE 4.35Å; V103-M107 PolarHBondContact O-N 3.21Å; F104-M107 WeakPolarHBondContact O-CB 3.11Å; F104-M107 PolarHBondContact O-N 3.06Å; Y105-M107 VanDerWaalsContact C-N 3.33Å; M107-S111 PolarHBondContact O-OG 3.07Å
108T74.5Confident75.2Confident18 Ų1886 Ų8611%0.1144%0.439CS..Hα-helixtrans-69.2-38.8177.960.50000112.3F104 Y105 Y118F104-T108 HydrophobicContact CD1-CG2 4.37Å; F104-T108 HydrophobicContact CE1-CG2 3.97Å; F104-T108 HydrophobicContact CE2-CG2 4.24Å; F104-T108 HydrophobicContact CZ-CG2 3.9Å; F104-T108 PolarHBondContact O-N 2.6Å; F104-T108 VanDerWaalsContact O-N 3.1Å; Y105-T108 WeakPolarHBondContact CA-OG1 3.32Å; Y105-T108 PolarHBondContact O-OG1 3.12Å; T108-Y118 HydrophobicContact CG2-CD1 3.84Å; T108-Y118 HydrophobicContact CG2-CE1 3.88Å
109E75.1Confident74.1Confident57 Ų5785.6 Ų85.627%0.26645%0.447SS..Hα-helixtrans-78.8-26.7179.6-73178.8-177.700114.7G79 A80 K81 Y105G79-E109 VanDerWaalsContact C-OE1 3.27Å; G79-E109 WeakPolarHBondContact CA-OE1 3.34Å; A80-E109 PolarHBondContact N-OE1 2.94Å; K81-E109 VanDerWaalsContact CG-OE2 3.28Å; K81-E109 WeakPolarHBondContact CG-OE2 3.37Å; K81-E109 PolarHBondContact N-OE2 3.01Å; Y105-E109 VanDerWaalsContact O-CB 3.27Å; Y105-E109 WeakPolarHBondContact O-CB 3.19Å; Y105-E109 VanDerWaalsContact O-CG 3.24Å; Y105-E109 WeakPolarHBondContact O-CG 3.39Å; Y105-E109 PolarHBondContact O-N 2.71Å
110G69.9Low73.2Confident58 Ų5886.2 Ų86.260%0.59846%0.464SS*.Hα-helixtrans-79-20.7-178.400000113.7R106 N112R106-G110 PolarHBondContact O-N 3.36Å; G110-N112 PolarHBondContact O-N 2.9Å
111S62.4Low72.2Confident52 Ų5290.3 Ų90.336%0.36449%0.485SS..SBendtrans-84.3108.5-179.2-61.60000109.7M107 G113 Y114M107-S111 PolarHBondContact O-OG 3.07Å; S111-G113 PolarHBondContact O-N 3.27Å; S111-Y114 PolarHBondContact O-N 2.83Å
112N57.1Low71.4Confident168 Ų16888.5 Ų88.590%0.89848%0.479SS*.THydrogen-bonded Turntrans-49.1-25.7-178.8-89.2-15000114.3G110G110-N112 PolarHBondContact O-N 2.9Å
113G52.9Low70.6Confident70 Ų7086.5 Ų86.572%0.72247%0.473SS*.THydrogen-bonded Turntrans-82.5-16.1-179.700000116.2S111S111-G113 PolarHBondContact O-N 3.27Å
114Y52.3Low69.9Low103 Ų10386.7 Ų86.740%0.40447%0.47SS..  trans-104.68.9-172.8-70.6-57.8000114.1S111 L116 C117 Q123S111-Y114 PolarHBondContact O-N 2.83Å; Y114-L116 PolarHBondContact O-N 2.65Å; Y114-C117 CarbonylContact C-O 3.54Å; Y114-C117 WeakPolarHBondContact CA-O 3.5Å; Y114-C117 WeakPolarHBondContact CB-O 3.27Å; Y114-C117 WeakPolarHBondContact CD1-O 3.45Å; Y114-C117 PolarHBondContact O-N 3.02Å; Y114-Q123 PolarHBondContact O-NE2 3.27Å
115R59.9Low68.9Low214 Ų21487.7 Ų87.781%0.80848%0.476SS*.SBendtrans-61-13.9-180-156.1172.5172.9157.5-3.1113.6Q123R115-Q123 PolarHBondContact O-OE1 3.1Å
116L68.7Low68.1Low138 Ų13889.7 Ų89.772%0.72349%0.49SS*.SBendtrans-124.2-13.4177-62.4176.2000114.3Y114 P122 Q123Y114-L116 PolarHBondContact O-N 2.65Å; L116-P122 CarbonylContact O-C 3.34Å; L116-P122 WeakPolarHBondContact O-CA 3.49Å; L116-Q123 PolarHBondContact O-N 3.35Å
117C69.5Low67.2Low39 Ų3985.2 Ų85.226%0.26448%0.476SS..EExtended strand (participates in β ladder)trans-137.7148.7-178.5-59.20000112Y114 E121Y114-C117 CarbonylContact C-O 3.54Å; Y114-C117 WeakPolarHBondContact CA-O 3.5Å; Y114-C117 WeakPolarHBondContact CB-O 3.27Å; Y114-C117 WeakPolarHBondContact CD1-O 3.45Å; Y114-C117 PolarHBondContact O-N 3.02Å; C117-E121 CarbonylContact C-O 3.56Å; C117-E121 WeakPolarHBondContact CA-O 3.4Å; C117-E121 VanDerWaalsContact CB-O 3.31Å; C117-E121 WeakPolarHBondContact CB-O 3.33Å
118Y68.6Low66.4Low45 Ų4585.1 Ų85.118%0.17648%0.477CS..EExtended strand (participates in β ladder)trans-99.3106.3159.9-65.6-62.1000108.1T108 S120 E121 Q123 V126 H127T108-Y118 HydrophobicContact CG2-CD1 3.84Å; T108-Y118 HydrophobicContact CG2-CE1 3.88Å; Y118-S120 PolarHBondContact O-N 3.28Å; Y118-S120 VanDerWaalsContact O-N 3.14Å; Y118-E121 PolarHBondContact N-O 3.41Å; Y118-E121 PolarHBondContact O-N 2.92Å; Y118-E121 VanDerWaalsContact O-N 3.09Å; Y118-Q123 HydrophobicContact CD1-CG 4.48Å; Y118-Q123 HydrophobicContact CD2-CG 3.88Å; Y118-Q123 HydrophobicContact CE1-CG 4.35Å; Y118-Q123 HydrophobicContact CE2-CB 4.36Å; Y118-Q123 HydrophobicContact CE2-CG 3.75Å; Y118-Q123 HydrophobicContact CG-CG 4.25Å; Y118-V126 HydrophobicContact CD2-CB 3.96Å; Y118-V126 HydrophobicContact CD2-CG1 3.88Å; Y118-V126 HydrophobicContact CD2-CG2 4.1Å; Y118-V126 HydrophobicContact CE2-CB 4.14Å; Y118-V126 HydrophobicContact CE2-CG1 3.94Å; Y118-H127 PolarHBondContact OH-ND1 3.44Å
119G72.7Confident65.9Low46 Ų4689 Ų8947%0.47450%0.495SS..THydrogen-bonded Turntrans60.7-119.8-169.700000110.5
120S75.3Confident65.6Low126 Ų12692.1 Ų92.188%0.88151%0.513SS*.THydrogen-bonded Turntrans-91.6-6.6178.5-55.80000114.3Y118Y118-S120 PolarHBondContact O-N 3.28Å; Y118-S120 VanDerWaalsContact O-N 3.14Å
121E72.1Confident65.6Low119 Ų11993.4 Ų93.456%0.55651%0.513SS*.EExtended strand (participates in β ladder)trans-98.9128.9-174.9-70.1-177179.800111.8C117 Y118 Q123 V126C117-E121 CarbonylContact C-O 3.56Å; C117-E121 WeakPolarHBondContact CA-O 3.4Å; C117-E121 VanDerWaalsContact CB-O 3.31Å; C117-E121 WeakPolarHBondContact CB-O 3.33Å; Y118-E121 PolarHBondContact N-O 3.41Å; Y118-E121 PolarHBondContact O-N 2.92Å; Y118-E121 VanDerWaalsContact O-N 3.09Å; E121-Q123 PolarHBondContact O-N 3.48Å; E121-V126 HydrophobicContact CB-CG2 4.22Å
122P73.6Confident66.2Low43 Ų4394.9 Ų94.928%0.27952%0.516SS..EExtended strand (participates in β ladder)trans-60.7130.5175.7-23.433.5000112.6L116 I124 Q125 V126L116-P122 CarbonylContact O-C 3.34Å; L116-P122 WeakPolarHBondContact O-CA 3.49Å; P122-I124 HydrophobicContact CB-CG2 4.04Å; P122-I124 PolarHBondContact O-N 3.05Å; P122-Q125 HydrophobicContact CB-CG 4.31Å; P122-Q125 WeakPolarHBondContact O-CB 3.5Å; P122-Q125 PolarHBondContact O-N 2.78Å; P122-V126 PolarHBondContact O-N 2.95Å
123Q69.7Low67.3Low35 Ų3588.1 Ų88.116%0.16448%0.483CS..Hα-helixtrans-54.4-30.6175.9-74-165.9-6.100112.4Y114 R115 L116 Y118 E121 Q125 V126 H127Y114-Q123 PolarHBondContact O-NE2 3.27Å; R115-Q123 PolarHBondContact O-OE1 3.1Å; L116-Q123 PolarHBondContact O-N 3.35Å; Y118-Q123 HydrophobicContact CD1-CG 4.48Å; Y118-Q123 HydrophobicContact CD2-CG 3.88Å; Y118-Q123 HydrophobicContact CE1-CG 4.35Å; Y118-Q123 HydrophobicContact CE2-CB 4.36Å; Y118-Q123 HydrophobicContact CE2-CG 3.75Å; Y118-Q123 HydrophobicContact CG-CG 4.25Å; E121-Q123 PolarHBondContact O-N 3.48Å; Q123-Q125 VanDerWaalsContact C-N 3.27Å; Q123-Q125 PolarHBondContact O-N 3.02Å; Q123-V126 PolarHBondContact O-N 2.91Å; Q123-V126 VanDerWaalsContact O-N 3.16Å; Q123-H127 WeakPolarHBondContact O-CA 3.45Å; Q123-H127 VanDerWaalsContact O-CB 3.22Å; Q123-H127 WeakPolarHBondContact O-CB 3.31Å; Q123-H127 PolarHBondContact O-N 3.3Å
124I67Low69Low93 Ų9385.4 Ų85.448%0.47745%0.453SS..Iπ-helixtrans-65.4-31.2177.9-164.9162.6000113.1P122 L128P122-I124 HydrophobicContact CB-CG2 4.04Å; P122-I124 PolarHBondContact O-N 3.05Å; I124-L128 HydrophobicContact CG1-CB 4.07Å
125Q63.7Low70.8Confident120 Ų12083.6 Ų83.656%0.56145%0.448SS*.Iπ-helixtrans-73.6-33.3174-67.8-176.3-11.500110.9P122 Q123P122-Q125 HydrophobicContact CB-CG 4.31Å; P122-Q125 WeakPolarHBondContact O-CB 3.5Å; P122-Q125 PolarHBondContact O-N 2.78Å; Q123-Q125 VanDerWaalsContact C-N 3.27Å; Q123-Q125 PolarHBondContact O-N 3.02Å
126V64.3Low72.1Confident67 Ų6778 Ų7841%0.40643%0.434SS..Iπ-helixtrans-86-35.5-175.6-175.90000112.9Y118 E121 P122 Q123Y118-V126 HydrophobicContact CD2-CB 3.96Å; Y118-V126 HydrophobicContact CD2-CG1 3.88Å; Y118-V126 HydrophobicContact CD2-CG2 4.1Å; Y118-V126 HydrophobicContact CE2-CB 4.14Å; Y118-V126 HydrophobicContact CE2-CG1 3.94Å; E121-V126 HydrophobicContact CB-CG2 4.22Å; P122-V126 PolarHBondContact O-N 2.95Å; Q123-V126 PolarHBondContact O-N 2.91Å; Q123-V126 VanDerWaalsContact O-N 3.16Å
127H63Low73.2Confident57 Ų5773.9 Ų73.926%0.26441%0.414SS..Iπ-helixtrans-130-35.8-155.4-149108.6000115.2D78 Y105 Y118 Q123D78-H127 WeakPolarHBondContact CB-CE1 3.47Å; D78-H127 WeakPolarHBondContact CB-NE2 3.3Å; D78-H127 IonicContact OD2-CD2 3.46Å; D78-H127 IonicContact OD2-CE1 2.76Å; D78-H127 IonicContact OD2-NE2 3.23Å; D78-H127 PolarHBondContact OD2-NE2 2.86Å; Y105-H127 AromaticContact CE1-CE1 3.94Å; Y118-H127 PolarHBondContact OH-ND1 3.44Å; Q123-H127 WeakPolarHBondContact O-CA 3.45Å; Q123-H127 VanDerWaalsContact O-CB 3.22Å; Q123-H127 WeakPolarHBondContact O-CB 3.31Å; Q123-H127 PolarHBondContact O-N 3.3Å
128L61.6Low74.3Confident120 Ų12073.6 Ų73.663%0.62841%0.409SS*.Iπ-helixtrans-95.2-21.1-158.4-110.983.9000116.7I124I124-L128 HydrophobicContact CG1-CB 4.07Å
129M64.8Low75.6Confident98 Ų9874.7 Ų74.748%0.48342%0.415SS..  trans-121.1109.6-176.6-68.3-171.1104.100111.8S131 L132 A133M129-S131 PolarHBondContact O-N 3.47Å; M129-L132 HydrophobicContact CB-CB 4.19Å; M129-L132 HydrophobicContact CB-CD1 3.81Å; M129-L132 HydrophobicContact CB-CG 3.74Å; M129-L132 HydrophobicContact CG-CD1 4.32Å; M129-L132 WeakPolarHBondContact O-CA 3.49Å; M129-L132 WeakPolarHBondContact O-CB 3.27Å; M129-L132 PolarHBondContact O-N 3.42Å; M129-L132 HydrophobicContact SD-CD1 4.12Å; M129-L132 HydrophobicContact SD-CG 4.48Å; M129-A133 PolarHBondContact O-N 3.33Å
130L67.8Low76.6Confident123 Ų12378.1 Ų78.164%0.64442%0.419SS*.Hα-helixtrans-53-28174.5-74169.3000113.7M1 D134M1-L130 WeakPolarHBondContact CG-O 3.46Å; M1-L130 HydrophobicContact SD-CD2 4.24Å; L130-D134 PolarHBondContact O-N 3.31Å
131S71.3Confident77.6Confident85 Ų8572.5 Ų72.559%0.59438%0.379SS*.Hα-helixtrans-70.8-33.4174.853.60000112.8M129M129-S131 PolarHBondContact O-N 3.47Å
132L73.9Confident78.9Confident84 Ų8469.9 Ų69.944%0.4437%0.366SS..Hα-helixtrans-74.3-41.9175-59.7-179.6000109.9M129 D134M129-L132 HydrophobicContact CB-CB 4.19Å; M129-L132 HydrophobicContact CB-CD1 3.81Å; M129-L132 HydrophobicContact CB-CG 3.74Å; M129-L132 HydrophobicContact CG-CD1 4.32Å; M129-L132 WeakPolarHBondContact O-CA 3.49Å; M129-L132 WeakPolarHBondContact O-CB 3.27Å; M129-L132 PolarHBondContact O-N 3.42Å; M129-L132 HydrophobicContact SD-CD1 4.12Å; M129-L132 HydrophobicContact SD-CG 4.48Å; L132-D134 PolarHBondContact O-N 3.47Å
133A81Confident80Confident25 Ų2570.2 Ų70.221%0.20737%0.369CS..Hα-helixtrans-68.7-11.9178.700000114.4M129 Q135 D136 V137M129-A133 PolarHBondContact O-N 3.33Å; A133-Q135 PolarHBondContact O-N 3Å; A133-D136 PolarHBondContact O-N 3.39Å; A133-V137 HydrophobicContact CB-CG2 4.3Å; A133-V137 WeakPolarHBondContact O-CB 3.41Å; A133-V137 VanDerWaalsContact O-CG2 3.23Å; A133-V137 WeakPolarHBondContact O-CG2 3.45Å; A133-V137 PolarHBondContact O-N 3.13Å
134D88.5Confident81.3Confident14 Ų1470.4 Ų70.48%0.07537%0.371CS..Hα-helixtrans-58.6-36.9-178.6-173.726.7000112.5M1 R2 Q3 T4 L130 L132 K138M1-D134 VanDerWaalsContact C-CG 3.47Å; M1-D134 WeakPolarHBondContact CA-OD1 3.43Å; M1-D134 WeakPolarHBondContact CA-OD2 3.3Å; M1-D134 HydrophobicContact CB-CB 4.22Å; M1-D134 WeakPolarHBondContact CB-OD1 3.42Å; M1-D134 HydrophobicContact CG-CB 4.07Å; R2-D134 PolarHBondContact N-OD1 3.09Å; R2-D134 PolarHBondContact N-OD2 3.13Å; Q3-D134 PolarHBondContact N-OD1 3.35Å; Q3-D134 PolarHBondContact N-OD2 3.42Å; T4-D134 VanDerWaalsContact CB-OD1 3.22Å; T4-D134 WeakPolarHBondContact CB-OD1 3.35Å; T4-D134 PolarHBondContact N-OD1 3.22Å; T4-D134 PolarHBondContact OG1-O 3.12Å; T4-D134 PolarHBondContact OG1-OD1 3.46Å; L130-D134 PolarHBondContact O-N 3.31Å; L132-D134 PolarHBondContact O-N 3.47Å; D134-K138 VanDerWaalsContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CB 3.48Å; D134-K138 PolarHBondContact O-N 3.03Å
135Q89.1Confident82.6Confident64 Ų6471.5 Ų71.530%0.29937%0.37SS..Hα-helixtrans-75.5-44.4178.5177.254.520.400110.8A133 K138 E139A133-Q135 PolarHBondContact O-N 3Å; Q135-K138 WeakPolarHBondContact O-CB 3.28Å; Q135-K138 PolarHBondContact O-N 2.84Å; Q135-E139 VanDerWaalsContact NE2-CG 3.29Å; Q135-E139 PolarHBondContact NE2-OE1 3.35Å; Q135-E139 WeakPolarHBondContact O-CG 3.41Å; Q135-E139 PolarHBondContact O-N 2.85Å
136D88Confident84.2Confident97 Ų9771.6 Ų71.652%0.51937%0.37SS..Hα-helixtrans-68-42.5-176.8-56.4-33.2000112.1A133 K138 E139 H140A133-D136 PolarHBondContact O-N 3.39Å; D136-K138 VanDerWaalsContact C-N 3.3Å; D136-K138 PolarHBondContact O-N 2.78Å; D136-E139 PolarHBondContact O-N 2.85Å; D136-H140 WeakPolarHBondContact O-CB 3.21Å; D136-H140 PolarHBondContact O-N 3.37Å
137V91.2Very high85.7Confident51 Ų5172.8 Ų72.831%0.30937%0.374SS..Hα-helixtrans-61.5-42.1174.3174.80000110.2T4 A133 H140 L141T4-V137 HydrophobicContact CG2-CG1 3.76Å; A133-V137 HydrophobicContact CB-CG2 4.3Å; A133-V137 WeakPolarHBondContact O-CB 3.41Å; A133-V137 VanDerWaalsContact O-CG2 3.23Å; A133-V137 WeakPolarHBondContact O-CG2 3.45Å; A133-V137 PolarHBondContact O-N 3.13Å; V137-H140 PolarHBondContact O-N 3.37Å; V137-L141 HydrophobicContact CG1-CD1 4.19Å; V137-L141 HydrophobicContact CG1-CG 4.39Å; V137-L141 WeakPolarHBondContact O-CB 3.26Å; V137-L141 VanDerWaalsContact O-CG 3.25Å; V137-L141 WeakPolarHBondContact O-CG 3.41Å; V137-L141 PolarHBondContact O-N 3.01Å
138K94.3Very high87.2Confident34 Ų3474.9 Ų74.915%0.14839%0.387CS..Hα-helixtrans-62-47.4176.2-174.2-150.376.5-174.90111.7Q3 T4 Y7 D134 Q135 D136 H140 L141 K142Q3-K138 HydrophobicContact CB-CD 3.93Å; T4-K138 PolarHBondContact OG1-N 3.28Å; Y7-K138 HydrophobicContact CD2-CG 4.41Å; Y7-K138 HydrophobicContact CG-CG 4.05Å; D134-K138 VanDerWaalsContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CB 3.48Å; D134-K138 PolarHBondContact O-N 3.03Å; Q135-K138 WeakPolarHBondContact O-CB 3.28Å; Q135-K138 PolarHBondContact O-N 2.84Å; D136-K138 VanDerWaalsContact C-N 3.3Å; D136-K138 PolarHBondContact O-N 2.78Å; K138-H140 VanDerWaalsContact C-N 3.34Å; K138-L141 PolarHBondContact O-N 3.34Å; K138-K142 VanDerWaalsContact O-CB 3.31Å; K138-K142 WeakPolarHBondContact O-CB 3.2Å; K138-K142 PolarHBondContact O-N 2.7Å
139E95.1Very high88.8Confident68 Ų6875.3 Ų75.332%0.31838%0.384SS..Hα-helixtrans-66.4-36.6178.7-65.4-55.7150.100111.8Q135 D136 K142 S143Q135-E139 VanDerWaalsContact NE2-CG 3.29Å; Q135-E139 PolarHBondContact NE2-OE1 3.35Å; Q135-E139 WeakPolarHBondContact O-CG 3.41Å; Q135-E139 PolarHBondContact O-N 2.85Å; D136-E139 PolarHBondContact O-N 2.85Å; E139-K142 WeakPolarHBondContact O-CB 3.42Å; E139-K142 PolarHBondContact O-N 3.21Å; E139-K142 WeakPolarHBondContact OE2-CD 3.47Å; E139-K142 IonicContact OE2-NZ 3.18Å; E139-S143 PolarHBondContact O-N 2.79Å
140H94Very high90.3Very high117 Ų11771.4 Ų71.454%0.54237%0.365SS..Hα-helixtrans-62.3-48.7173.8-17757.2000111.7D136 V137 K138 K142 S143 L144D136-H140 WeakPolarHBondContact O-CB 3.21Å; D136-H140 PolarHBondContact O-N 3.37Å; V137-H140 PolarHBondContact O-N 3.37Å; K138-H140 VanDerWaalsContact C-N 3.34Å; H140-K142 PolarHBondContact O-N 2.77Å; H140-S143 PolarHBondContact O-N 3.02Å; H140-L144 WeakPolarHBondContact O-CG 3.37Å; H140-L144 PolarHBondContact O-N 2.81Å
141L96.7Very high91.4Very high8 Ų869.5 Ų69.54%0.04236%0.356CS..Hα-helixtrans-61.4-33175.2-71.3-178.9000112.7T4 Y7 I8 L12 V137 K138 L144 Y145 L155 V157T4-L141 HydrophobicContact CG2-CD1 4.02Å; Y7-L141 HydrophobicContact CD1-CB 4.27Å; Y7-L141 HydrophobicContact CE1-CB 4.26Å; I8-L141 HydrophobicContact CD1-CD1 3.91Å; I8-L141 HydrophobicContact CG1-CD1 3.73Å; L12-L141 HydrophobicContact CD1-CB 4.31Å; L12-L141 HydrophobicContact CD1-CD1 4.48Å; V137-L141 HydrophobicContact CG1-CD1 4.19Å; V137-L141 HydrophobicContact CG1-CG 4.39Å; V137-L141 WeakPolarHBondContact O-CB 3.26Å; V137-L141 VanDerWaalsContact O-CG 3.25Å; V137-L141 WeakPolarHBondContact O-CG 3.41Å; V137-L141 PolarHBondContact O-N 3.01Å; K138-L141 PolarHBondContact O-N 3.34Å; L141-L144 HydrophobicContact CD2-CD1 4.4Å; L141-Y145 PolarHBondContact O-N 3.16Å; L141-L155 HydrophobicContact CD2-CD2 3.67Å; L141-V157 HydrophobicContact CD1-CG2 4.44Å; L141-V157 HydrophobicContact CD2-CG2 4.27Å
142K97.5Very high92.4Very high65 Ų6567.8 Ų67.828%0.28335%0.352SS..Hα-helixtrans-68.9-47.2176.4179.9-174.9168.9-157.90111.7Y7 K138 E139 H140 L144 Y145 E146Y7-K142 HydrophobicContact CE1-CB 4.09Å; Y7-K142 HydrophobicContact CE2-CB 4.15Å; Y7-K142 HydrophobicContact CE2-CG 4.18Å; Y7-K142 WeakPolarHBondContact OH-CA 3.25Å; K138-K142 VanDerWaalsContact O-CB 3.31Å; K138-K142 WeakPolarHBondContact O-CB 3.2Å; K138-K142 PolarHBondContact O-N 2.7Å; E139-K142 WeakPolarHBondContact O-CB 3.42Å; E139-K142 PolarHBondContact O-N 3.21Å; E139-K142 WeakPolarHBondContact OE2-CD 3.47Å; E139-K142 IonicContact OE2-NZ 3.18Å; H140-K142 PolarHBondContact O-N 2.77Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 2.93Å; K142-Y145 PolarHBondContact O-N 3.04Å; K142-Y145 VanDerWaalsContact O-N 3.1Å; K142-E146 WeakPolarHBondContact CE-OE1 3.4Å; K142-E146 VanDerWaalsContact CE-OE2 3.23Å; K142-E146 WeakPolarHBondContact CE-OE2 3.44Å; K142-E146 HydrophobicContact CG-CG 4.19Å; K142-E146 IonicContact NZ-OE1 3.19Å; K142-E146 WeakPolarHBondContact O-CB 3.38Å; K142-E146 WeakPolarHBondContact O-CG 3.49Å; K142-E146 PolarHBondContact O-N 3.28Å
143S97.6Very high93.4Very high50 Ų5066.5 Ų66.535%0.3535%0.348SS..Hα-helixtrans-57.6-46.4173.6161.80000111E139 H140 Y145 E146 D147E139-S143 PolarHBondContact O-N 2.79Å; H140-S143 PolarHBondContact O-N 3.02Å; S143-Y145 PolarHBondContact O-N 2.95Å; S143-Y145 VanDerWaalsContact O-N 3.13Å; S143-E146 PolarHBondContact O-N 2.73Å; S143-D147 WeakPolarHBondContact O-CB 3.5Å; S143-D147 PolarHBondContact O-N 3.01Å; S143-D147 VanDerWaalsContact O-OD2 3.08Å; S143-D147 PolarHBondContact OG-OD2 2.88Å
144L96.2Very high94Very high38 Ų3868 Ų6820%0.19935%0.351CS..Hα-helixtrans-55.6-35.6176.1-69.7176.8000113.4H140 L141 K142 F149 L150H140-L144 WeakPolarHBondContact O-CG 3.37Å; H140-L144 PolarHBondContact O-N 2.81Å; L141-L144 HydrophobicContact CD2-CD1 4.4Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 2.93Å; L144-F149 HydrophobicContact CD2-CB 4Å; L144-F149 HydrophobicContact CD2-CD2 4.18Å; L144-F149 HydrophobicContact CD2-CG 4.38Å; L144-F149 WeakPolarHBondContact O-CB 3.21Å; L144-F149 PolarHBondContact O-N 3.12Å; L144-L150 HydrophobicContact CB-CD2 4.08Å; L144-L150 HydrophobicContact CB-CG 4.11Å; L144-L150 PolarHBondContact O-N 3.05Å; L144-L150 VanDerWaalsContact O-N 3.16Å
145Y95.9Very high94.4Very high116 Ų11668.8 Ų68.846%0.45536%0.356SS..Hα-helixtrans-80.1-45.4179.1179.2-105.8000113.1V11 L12 L141 K142 S143 D148 L150V11-Y145 HydrophobicContact CG1-CD1 4.3Å; V11-Y145 HydrophobicContact CG1-CE1 4.11Å; L12-Y145 HydrophobicContact CD2-CD1 4.36Å; L12-Y145 HydrophobicContact CD2-CD2 3.62Å; L12-Y145 HydrophobicContact CD2-CE2 4.4Å; L12-Y145 HydrophobicContact CD2-CG 3.59Å; L141-Y145 PolarHBondContact O-N 3.16Å; K142-Y145 PolarHBondContact O-N 3.04Å; K142-Y145 VanDerWaalsContact O-N 3.1Å; S143-Y145 PolarHBondContact O-N 2.95Å; S143-Y145 VanDerWaalsContact O-N 3.13Å; Y145-D148 PolarHBondContact O-N 3.12Å; Y145-L150 HydrophobicContact CD2-CD1 4.18Å
146E96.3Very high94.8Very high123 Ų12368.3 Ų68.358%0.57536%0.357SS*.Hα-helixtrans-71.2-32.3-177.4-70.5180171.300112.2K142 S143 D148K142-E146 WeakPolarHBondContact CE-OE1 3.4Å; K142-E146 VanDerWaalsContact CE-OE2 3.23Å; K142-E146 WeakPolarHBondContact CE-OE2 3.44Å; K142-E146 HydrophobicContact CG-CG 4.19Å; K142-E146 IonicContact NZ-OE1 3.19Å; K142-E146 WeakPolarHBondContact O-CB 3.38Å; K142-E146 WeakPolarHBondContact O-CG 3.49Å; K142-E146 PolarHBondContact O-N 3.28Å; S143-E146 PolarHBondContact O-N 2.73Å; E146-D148 PolarHBondContact O-N 3.13Å
147D96.6Very high95.1Very high92 Ų9265 Ų6549%0.49234%0.341SS..THydrogen-bonded Turntrans-8612.1177.8-56.5-34.6000112.8S143 F149S143-D147 WeakPolarHBondContact O-CB 3.5Å; S143-D147 PolarHBondContact O-N 3.01Å; S143-D147 VanDerWaalsContact O-OD2 3.08Å; S143-D147 PolarHBondContact OG-OD2 2.88Å; D147-F149 HydrophobicContact CB-CD2 3.56Å; D147-F149 HydrophobicContact CB-CE2 3.47Å; D147-F149 VanDerWaalsContact CB-CE2 3.47Å; D147-F149 HydrophobicContact CB-CZ 4.45Å; D147-F149 PolarHBondContact O-N 3.43Å; D147-F149 VanDerWaalsContact O-N 3.12Å
148D94.7Very high95.3Very high100 Ų10065.3 Ų65.354%0.53534%0.339SS..THydrogen-bonded Turntrans60.812.9179.4-154.147.1000115.8Y145 E146 L150 N151Y145-D148 PolarHBondContact O-N 3.12Å; E146-D148 PolarHBondContact O-N 3.13Å; D148-L150 PolarHBondContact O-N 3.39Å; D148-N151 WeakPolarHBondContact O-CB 3.44Å; D148-N151 PolarHBondContact O-N 3.21Å; D148-N151 WeakPolarHBondContact OD1-CB 2.99Å; D148-N151 WeakPolarHBondContact OD2-CB 2.83Å; D148-N151 PolarHBondContact OD2-ND2 2.95Å
149F95.2Very high95.1Very high129 Ų12965.4 Ų65.457%0.56634%0.344SS*.THydrogen-bonded Turntrans-65.8-18.8176.4-66.3-62.3000113.8L144 D147 N151 T153L144-F149 HydrophobicContact CD2-CB 4Å; L144-F149 HydrophobicContact CD2-CD2 4.18Å; L144-F149 HydrophobicContact CD2-CG 4.38Å; L144-F149 WeakPolarHBondContact O-CB 3.21Å; L144-F149 PolarHBondContact O-N 3.12Å; D147-F149 HydrophobicContact CB-CD2 3.56Å; D147-F149 HydrophobicContact CB-CE2 3.47Å; D147-F149 VanDerWaalsContact CB-CE2 3.47Å; D147-F149 HydrophobicContact CB-CZ 4.45Å; D147-F149 PolarHBondContact O-N 3.43Å; D147-F149 VanDerWaalsContact O-N 3.12Å; F149-N151 VanDerWaalsContact C-N 3.28Å; F149-T153 PolarHBondContact O-OG1 3.36Å
150L94.8Very high94.6Very high16 Ų1664 Ų648%0.08434%0.339CS..THydrogen-bonded Turntrans-80.5-7.4173.5-62.1-171.3000113.5L12 L144 Y145 D148 G152 T153 L155L12-L150 HydrophobicContact CD1-CD1 4.43Å; L12-L150 HydrophobicContact CD2-CD1 3.88Å; L144-L150 HydrophobicContact CB-CD2 4.08Å; L144-L150 HydrophobicContact CB-CG 4.11Å; L144-L150 PolarHBondContact O-N 3.05Å; L144-L150 VanDerWaalsContact O-N 3.16Å; Y145-L150 HydrophobicContact CD2-CD1 4.18Å; D148-L150 PolarHBondContact O-N 3.39Å; L150-G152 PolarHBondContact O-N 3.36Å; L150-T153 HydrophobicContact CD2-CG2 4.33Å; L150-T153 PolarHBondContact O-N 3.15Å; L150-L155 HydrophobicContact CD1-CD2 4.39Å; L150-L155 HydrophobicContact CD2-CB 4.17Å; L150-L155 HydrophobicContact CD2-CD2 4.08Å
151N92.6Very high94.1Very high83 Ų8359.7 Ų59.744%0.44432%0.319SS..THydrogen-bonded Turntrans-73.8112.3173.6-169.59.4000110.2D148 F149D148-N151 WeakPolarHBondContact O-CB 3.44Å; D148-N151 PolarHBondContact O-N 3.21Å; D148-N151 WeakPolarHBondContact OD1-CB 2.99Å; D148-N151 WeakPolarHBondContact OD2-CB 2.83Å; D148-N151 PolarHBondContact OD2-ND2 2.95Å; F149-N151 VanDerWaalsContact C-N 3.28Å
152G91.1Very high93.5Very high50 Ų5060 Ų6052%0.51532%0.323SS..THydrogen-bonded Turntrans85.85.6-17200000115L150L150-G152 PolarHBondContact O-N 3.36Å
153T94Very high92.5Very high56 Ų5659.7 Ų59.734%0.34433%0.329SS..  trans-110.9128.4-179.9-60.10000111.2F149 L150 L155 P188F149-T153 PolarHBondContact O-OG1 3.36Å; L150-T153 HydrophobicContact CD2-CG2 4.33Å; L150-T153 PolarHBondContact O-N 3.15Å; T153-L155 HydrophobicContact CG2-CB 4.48Å; T153-P188 WeakPolarHBondContact O-CD 3.25Å
154I95.1Very high91.4Very high56 Ų5658.7 Ų58.729%0.28732%0.318SS..  trans-89.4111.1161.9-65.3170.4000107V185 V186 L187 I222 F241I154-V185 HydrophobicContact CG2-CG1 4.03Å; I154-V186 WeakPolarHBondContact CA-O 3.03Å; I154-L187 HydrophobicContact CD1-CD2 4.35Å; I154-L187 HydrophobicContact CG1-CD2 4.07Å; I154-L187 HydrophobicContact CG2-CD2 4.24Å; I154-I222 HydrophobicContact CD1-CD1 3.51Å; I154-I222 HydrophobicContact CD1-CG1 4.11Å; I154-F241 HydrophobicContact CD1-CE2 4.49Å; I154-F241 HydrophobicContact CD1-CZ 4.12Å
155L96.6Very high90Very high31 Ų3165.7 Ų65.716%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-99122.1179.6169.372.4000109.4L141 L150 T153 V157 V186L141-L155 HydrophobicContact CD2-CD2 3.67Å; L150-L155 HydrophobicContact CD1-CD2 4.39Å; L150-L155 HydrophobicContact CD2-CB 4.17Å; L150-L155 HydrophobicContact CD2-CD2 4.08Å; T153-L155 HydrophobicContact CG2-CB 4.48Å; L155-V157 HydrophobicContact CD1-CG2 4.25Å; L155-V157 HydrophobicContact CD2-CG2 3.99Å; L155-V157 HydrophobicContact CG-CG2 3.96Å; L155-V186 HydrophobicContact CB-CB 4.15Å; L155-V186 HydrophobicContact CD2-CG2 4.44Å; L155-V186 PolarHBondContact N-O 3.1Å; L155-V186 PolarHBondContact O-N 2.85Å
156V96.9Very high88.7Confident54 Ų5462.7 Ų62.733%0.32734%0.343SS..EExtended strand (participates in β ladder)trans-107.1115.4170.6-176.60000108.2M158 V183 S184 V185 L215V156-M158 HydrophobicContact CG1-CB 4.42Å; V156-V183 HydrophobicContact CG1-CG1 4.1Å; V156-S184 WeakPolarHBondContact CA-O 3.49Å; V156-V185 HydrophobicContact CG2-CG2 4.33Å; V156-L215 HydrophobicContact CG1-CD2 4.34Å
157V95.4Very high87.4Confident29 Ų2961.3 Ų61.318%0.17635%0.347CS..EExtended strand (participates in β ladder)trans-101.9118171.7-175.10000107.3I8 L141 L155 F182 V183 S184I8-V157 HydrophobicContact CD1-CB 4.13Å; I8-V157 HydrophobicContact CD1-CG1 3.98Å; I8-V157 HydrophobicContact CD1-CG2 4.17Å; L141-V157 HydrophobicContact CD1-CG2 4.44Å; L141-V157 HydrophobicContact CD2-CG2 4.27Å; L155-V157 HydrophobicContact CD1-CG2 4.25Å; L155-V157 HydrophobicContact CD2-CG2 3.99Å; L155-V157 HydrophobicContact CG-CG2 3.96Å; V157-F182 HydrophobicContact CB-CE1 4.46Å; V157-F182 HydrophobicContact CG1-CE1 4.24Å; V157-V183 CarbonylContact O-C 3.6Å; V157-V183 WeakPolarHBondContact O-CA 3.23Å; V157-S184 PolarHBondContact N-O 2.92Å; V157-S184 PolarHBondContact O-N 3.27Å
158M93.9Very high86Confident56 Ų5660 Ų6028%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-138.5151.4-175.464.3177.7-6700113.3I31 L34 V156 F182 V183 L215I31-M158 HydrophobicContact CD1-CE 4.49Å; L34-M158 HydrophobicContact CD1-CE 3.94Å; L34-M158 HydrophobicContact CD1-SD 3.47Å; L34-M158 WeakPolarHBondContact CD1-SD 3.37Å; V156-M158 HydrophobicContact CG1-CB 4.42Å; M158-F182 CarbonylContact C-O 3.47Å; M158-F182 VanDerWaalsContact CA-O 3.28Å; M158-F182 WeakPolarHBondContact CA-O 3.41Å; M158-V183 HydrophobicContact CB-CB 4.37Å; M158-V183 HydrophobicContact CB-CG1 4.18Å; M158-V183 HydrophobicContact CB-CG2 3.89Å; M158-L215 HydrophobicContact SD-CD1 4.4Å
159S90.7Very high84.7Confident37 Ų3759.4 Ų59.426%0.25933%0.333SS..  trans-95.9148.8162.1-163.20000108.9H161 P181 F182S159-H161 WeakPolarHBondContact CB-O 3.28Å; S159-H161 PolarHBondContact OG-O 2.7Å; S159-P181 WeakPolarHBondContact O-CB 3.1Å; S159-F182 PolarHBondContact N-O 3.33Å
160D85.5Confident83.2Confident37 Ų3763.4 Ų63.420%0.19834%0.344CS..SBendtrans-77-29.2175.168.8-35.2000112T27 A30T27-D160 WeakPolarHBondContact CA-OD2 3.24Å; T27-D160 WeakPolarHBondContact CB-OD2 3.27Å; T27-D160 HydrophobicContact CG2-CB 3.95Å; T27-D160 PolarHBondContact OG1-OD2 3.01Å; A30-D160 HydrophobicContact CB-CB 4.23Å; A30-D160 WeakPolarHBondContact CB-O 3.45Å
161H83.1Confident81.7Confident28 Ų2865.8 Ų65.813%0.1336%0.359CS..SBendtrans-147.1169.517460.471.6000112.3S159 R164S159-H161 WeakPolarHBondContact CB-O 3.28Å; S159-H161 PolarHBondContact OG-O 2.7Å; H161-R164 VanDerWaalsContact CB-CZ 3.41Å; H161-R164 VanDerWaalsContact CD2-CZ 3.49Å; H161-R164 PolarHBondContact CD2-NH1 3.46Å; H161-R164 VanDerWaalsContact CG-CZ 3.42Å; H161-R164 VanDerWaalsContact CG-NH1 3.31Å; H161-R164 PolarHBondContact NE2-NH1 3.07Å
162G84.7Confident80.4Confident13 Ų1363.4 Ų63.413%0.13435%0.349CS..SBendtrans-77.5-161.9172.600000113.8R164 E177 E178G162-R164 PolarHBondContact O-N 3.37Å; G162-R164 VanDerWaalsContact O-N 3.08Å; G162-E177 VanDerWaalsContact CA-O 3.29Å; G162-E177 WeakPolarHBondContact CA-O 3.44Å; G162-E178 WeakPolarHBondContact CA-O 3.46Å; G162-E178 PolarHBondContact N-O 3.1Å
163S76.4Confident79.5Confident59 Ų5966.2 Ų66.241%0.41335%0.349SS..  trans-68.5109.2-177-172.20000112.5
164R73Confident78.5Confident30 Ų3063.6 Ų63.611%0.11333%0.333CS..  trans-102.3-19.7178-75-171.5174.31476.9115D25 G26 H161 G162 R169 E178D25-R164 IonicContact OD1-CZ 2.6Å; D25-R164 IonicContact OD1-NE 3.61Å; D25-R164 IonicContact OD1-NH1 2.58Å; D25-R164 IonicContact OD1-NH2 2.89Å; D25-R164 PolarHBondContact OD1-NH2 3.31Å; G26-R164 VanDerWaalsContact N-NH2 3.15Å; H161-R164 VanDerWaalsContact CB-CZ 3.41Å; H161-R164 VanDerWaalsContact CD2-CZ 3.49Å; H161-R164 PolarHBondContact CD2-NH1 3.46Å; H161-R164 VanDerWaalsContact CG-CZ 3.42Å; H161-R164 VanDerWaalsContact CG-NH1 3.31Å; H161-R164 PolarHBondContact NE2-NH1 3.07Å; G162-R164 PolarHBondContact O-N 3.37Å; G162-R164 VanDerWaalsContact O-N 3.08Å; R164-R169 WeakPolarHBondContact O-CD 3.33Å; R164-E178 HydrophobicContact CG-CG 3.92Å; R164-E178 IonicContact NE-OE1 2.95Å; R164-E178 PolarHBondContact NE-OE1 2.9Å; R164-E178 VanDerWaalsContact NE-OE1 3.13Å
165F67.4Low77.5Confident184 Ų18463 Ų6381%0.80733%0.328SS*.SBendtrans-110.165.6-166.2-60.1-72.7000112.1
166S68.9Low76.7Confident53 Ų5364 Ų6437%0.37133%0.334SS..SBendtrans-165.5165166.966.60000111.8V168 R169S166-V168 PolarHBondContact O-N 3.13Å; S166-V168 WeakPolarHBondContact OG-CB 3.4Å; S166-V168 PolarHBondContact OG-N 2.87Å; S166-R169 WeakPolarHBondContact O-CB 3.41Å; S166-R169 PolarHBondContact O-N 3.2Å
167S68.8Low76Confident94 Ų9465.2 Ų65.266%0.65734%0.336SS*.G310 helixtrans-60-21.7170.154.10000112.9R169 R170S167-R169 PolarHBondContact O-N 2.72Å; S167-R170 WeakPolarHBondContact O-CB 3.46Å; S167-R170 PolarHBondContact O-N 3.22Å
168V67.9Low75.4Confident66 Ų6664.2 Ų64.240%0.433%0.329SS..G310 helixtrans-60.7-29.3176.2-176.50000111.5S166 R170 T171 G174S166-V168 PolarHBondContact O-N 3.13Å; S166-V168 WeakPolarHBondContact OG-CB 3.4Å; S166-V168 PolarHBondContact OG-N 2.87Å; V168-R170 PolarHBondContact O-N 2.57Å; V168-T171 VanDerWaalsContact O-CB 3.32Å; V168-T171 WeakPolarHBondContact O-CB 3.5Å; V168-T171 WeakPolarHBondContact O-CG2 3.23Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 2.72Å; V168-G174 WeakPolarHBondContact O-CA 3.39Å
169R67.2Low75.1Confident86 Ų8662.4 Ų62.433%0.32532%0.32SS..G310 helixtrans-55.4-24.2174.2-171.1-177.9179.8-165.72.5113.3R164 S166 S167 T171 E178R164-R169 WeakPolarHBondContact O-CD 3.33Å; S166-R169 WeakPolarHBondContact O-CB 3.41Å; S166-R169 PolarHBondContact O-N 3.2Å; S167-R169 PolarHBondContact O-N 2.72Å; R169-T171 VanDerWaalsContact C-N 3.27Å; R169-T171 PolarHBondContact O-N 2.95Å; R169-E178 IonicContact CZ-OE1 3.78Å; R169-E178 IonicContact CZ-OE2 3.44Å; R169-E178 IonicContact NE-OE1 2.71Å; R169-E178 PolarHBondContact NE-OE1 3.01Å; R169-E178 IonicContact NE-OE2 2.73Å; R169-E178 PolarHBondContact NE-OE2 2.99Å; R169-E178 IonicContact NH2-OE1 3.58Å; R169-E178 PolarHBondContact NH2-OE1 3.32Å; R169-E178 IonicContact NH2-OE2 3.33Å; R169-E178 PolarHBondContact NH2-OE2 3.29Å
170R62.8Low75.1Confident214 Ų21463.8 Ų63.881%0.80833%0.325SS*.G310 helixtrans-74-19.6176.3-60.3-179-177.9175.30.6112.9S167 V168S167-R170 WeakPolarHBondContact O-CB 3.46Å; S167-R170 PolarHBondContact O-N 3.22Å; V168-R170 PolarHBondContact O-N 2.57Å
171T63.1Low75.4Confident65 Ų6562 Ų6240%0.39932%0.316SS..SBendtrans-81.9156.8177.674.70000110.9V168 R169 Q173 G174 K175V168-T171 VanDerWaalsContact O-CB 3.32Å; V168-T171 WeakPolarHBondContact O-CB 3.5Å; V168-T171 WeakPolarHBondContact O-CG2 3.23Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 2.72Å; R169-T171 VanDerWaalsContact C-N 3.27Å; R169-T171 PolarHBondContact O-N 2.95Å; T171-Q173 VanDerWaalsContact C-N 3.27Å; T171-Q173 PolarHBondContact O-N 3.4Å; T171-G174 PolarHBondContact O-N 2.91Å; T171-G174 PolarHBondContact OG1-N 3.47Å; T171-K175 WeakPolarHBondContact O-CG 3.42Å; T171-K175 PolarHBondContact O-N 3.41Å
172S65Low75.9Confident33 Ų3363.3 Ų63.323%0.23132%0.321CS..Hα-helixtrans-62.8-36.2176.7-41.10000112.5K175 L176 T334 V336S172-K175 PolarHBondContact O-N 2.9Å; S172-L176 WeakPolarHBondContact O-CG 3.35Å; S172-L176 PolarHBondContact O-N 3.35Å; S172-L176 VanDerWaalsContact O-N 3.1Å; S172-T334 WeakPolarHBondContact OG-CG2 3.36Å; S172-V336 WeakPolarHBondContact OG-CG2 3.42Å
173Q72.8Confident76.5Confident109 Ų10962.7 Ų62.751%0.50932%0.315SS..Hα-helixtrans-63.8-47.5174-178.859.527.900110.7T171 K175 L176 E177T171-Q173 VanDerWaalsContact C-N 3.27Å; T171-Q173 PolarHBondContact O-N 3.4Å; Q173-K175 VanDerWaalsContact C-N 3.29Å; Q173-K175 PolarHBondContact O-N 3.49Å; Q173-L176 PolarHBondContact O-N 3.06Å; Q173-L176 VanDerWaalsContact O-N 3.12Å; Q173-E177 HydrophobicContact CG-CG 4.48Å; Q173-E177 VanDerWaalsContact CG-OE1 3.28Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.4Å; Q173-E177 PolarHBondContact NE2-OE1 3.21Å; Q173-E177 WeakPolarHBondContact O-CG 3.26Å; Q173-E177 PolarHBondContact O-N 2.8Å
174G73.1Confident77.5Confident1 Ų159.9 Ų59.91%0.0130%0.295CS..Hα-helixtrans-62.4-34.1177.100000113.7V168 T171 E177 E178V168-G174 WeakPolarHBondContact O-CA 3.39Å; T171-G174 PolarHBondContact O-N 2.91Å; T171-G174 PolarHBondContact OG1-N 3.47Å; G174-E177 PolarHBondContact O-N 3.23Å; G174-E178 WeakPolarHBondContact O-CB 3.41Å; G174-E178 PolarHBondContact O-N 3.01Å
175K73.6Confident78.7Confident44 Ų4458.7 Ų58.719%0.19129%0.291CS..Hα-helixtrans-63.7-42.3172.1-74.6162.5163.1173.80112T171 S172 Q173 L179 L331 T334T171-K175 WeakPolarHBondContact O-CG 3.42Å; T171-K175 PolarHBondContact O-N 3.41Å; S172-K175 PolarHBondContact O-N 2.9Å; Q173-K175 VanDerWaalsContact C-N 3.29Å; Q173-K175 PolarHBondContact O-N 3.49Å; K175-L179 WeakPolarHBondContact O-CG 3.32Å; K175-L331 HydrophobicContact CD-CD2 3.7Å; K175-L331 HydrophobicContact CG-CD2 4.47Å; K175-T334 PolarHBondContact NZ-OG1 3.11Å
176L80.1Confident80.2Confident53 Ų5350.2 Ų50.228%0.27725%0.254SS..Hα-helixtrans-68.3-41.6175.2-68.8173.2000111.8S172 Q173 E178 L179 N180 P261 L263S172-L176 WeakPolarHBondContact O-CG 3.35Å; S172-L176 PolarHBondContact O-N 3.35Å; S172-L176 VanDerWaalsContact O-N 3.1Å; Q173-L176 PolarHBondContact O-N 3.06Å; Q173-L176 VanDerWaalsContact O-N 3.12Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 3.49Å; L176-L179 PolarHBondContact O-N 2.9Å; L176-N180 PolarHBondContact O-N 2.86Å; L176-P261 HydrophobicContact CD2-CB 3.91Å; L176-P261 WeakPolarHBondContact CD2-O 3.44Å; L176-L263 HydrophobicContact CD1-CD1 4.2Å
177E83.2Confident81.5Confident78 Ų7848 Ų4836%0.36424%0.238SC..Hα-helixtrans-63-35.6177.2-74.8175.6-16400112.2G162 Q173 G174 L179 N180G162-E177 VanDerWaalsContact CA-O 3.29Å; G162-E177 WeakPolarHBondContact CA-O 3.44Å; Q173-E177 HydrophobicContact CG-CG 4.48Å; Q173-E177 VanDerWaalsContact CG-OE1 3.28Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.4Å; Q173-E177 PolarHBondContact NE2-OE1 3.21Å; Q173-E177 WeakPolarHBondContact O-CG 3.26Å; Q173-E177 PolarHBondContact O-N 2.8Å; G174-E177 PolarHBondContact O-N 3.23Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 2.88Å; E177-N180 PolarHBondContact O-N 3.22Å
178E83.1Confident82.8Confident8 Ų843.8 Ų43.84%0.03721%0.209CC..Hα-helixtrans-59.3-36.3174.3178.4175.5-176.300112.6G162 R164 R169 G174 L176 N180G162-E178 WeakPolarHBondContact CA-O 3.46Å; G162-E178 PolarHBondContact N-O 3.1Å; R164-E178 HydrophobicContact CG-CG 3.92Å; R164-E178 IonicContact NE-OE1 2.95Å; R164-E178 PolarHBondContact NE-OE1 2.9Å; R164-E178 VanDerWaalsContact NE-OE1 3.13Å; R169-E178 IonicContact CZ-OE1 3.78Å; R169-E178 IonicContact CZ-OE2 3.44Å; R169-E178 IonicContact NE-OE1 2.71Å; R169-E178 PolarHBondContact NE-OE1 3.01Å; R169-E178 IonicContact NE-OE2 2.73Å; R169-E178 PolarHBondContact NE-OE2 2.99Å; R169-E178 IonicContact NH2-OE1 3.58Å; R169-E178 PolarHBondContact NH2-OE1 3.32Å; R169-E178 IonicContact NH2-OE2 3.33Å; R169-E178 PolarHBondContact NH2-OE2 3.29Å; G174-E178 WeakPolarHBondContact O-CB 3.41Å; G174-E178 PolarHBondContact O-N 3.01Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 3.49Å; E178-N180 VanDerWaalsContact C-N 3.28Å; E178-N180 PolarHBondContact O-N 2.82Å
179L87.4Confident83.9Confident18 Ų1844.2 Ų44.29%0.09422%0.215CC..Hα-helixtrans-78.4-12.1-179-58.5178.3000113.4N21 I22 K175 L176 E177 P181 W259 P261N21-L179 WeakPolarHBondContact CA-O 3.43Å; I22-L179 HydrophobicContact CD1-CD2 3.45Å; I22-L179 VanDerWaalsContact CD1-CD2 3.45Å; I22-L179 HydrophobicContact CG1-CB 4.42Å; I22-L179 HydrophobicContact CG1-CD2 3.81Å; I22-L179 PolarHBondContact N-O 2.87Å; I22-L179 VanDerWaalsContact N-O 3.13Å; K175-L179 WeakPolarHBondContact O-CG 3.32Å; L176-L179 PolarHBondContact O-N 2.9Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 2.88Å; L179-P181 VanDerWaalsContact O-CD 3.22Å; L179-P181 WeakPolarHBondContact O-CD 3.49Å; L179-W259 HydrophobicContact CD2-CE3 3.87Å; L179-W259 HydrophobicContact CD2-CZ3 4.38Å; L179-P261 HydrophobicContact CD1-CB 3.98Å
180N89.3Confident85.3Confident66 Ų6645.4 Ų45.435%0.35322%0.219SC..  trans-117.778-173.2-171-108.5000110.9E18 Y20 L176 E177 E178E18-N180 PolarHBondContact O-ND2 2.97Å; E18-N180 PolarHBondContact O-OD1 3.46Å; Y20-N180 PolarHBondContact O-ND2 3.12Å; L176-N180 PolarHBondContact O-N 2.86Å; E177-N180 PolarHBondContact O-N 3.22Å; E178-N180 VanDerWaalsContact C-N 3.28Å; E178-N180 PolarHBondContact O-N 2.82Å
181P93.1Very high86.9Confident1 Ų135.8 Ų35.81%0.00618%0.183CC..  trans-65.7149.9174.625.9-31.5000110.5Y20 I22 S159 L179 V183Y20-P181 HydrophobicContact CD1-CG 3.55Å; Y20-P181 HydrophobicContact CE1-CG 3.76Å; I22-P181 HydrophobicContact CG2-CG 3.86Å; S159-P181 WeakPolarHBondContact O-CB 3.1Å; L179-P181 VanDerWaalsContact O-CD 3.22Å; L179-P181 WeakPolarHBondContact O-CD 3.49Å; P181-V183 PolarHBondContact O-N 3.23Å
182F93.7Very high88.3Confident55 Ų5536.4 Ų36.424%0.24118%0.178CC..  trans-65.7127.3169.8176.8-97.9000109.9Y5 I8 V16 V157 M158 S159Y5-F182 HydrophobicContact CD2-CD2 4.1Å; Y5-F182 AromaticContact CD2-CE2 3.48Å; Y5-F182 HydrophobicContact CD2-CE2 3.48Å; Y5-F182 VanDerWaalsContact CD2-CE2 3.48Å; Y5-F182 HydrophobicContact CD2-CZ 4.18Å; Y5-F182 HydrophobicContact CE2-CD2 4.29Å; Y5-F182 AromaticContact CE2-CE2 3.68Å; Y5-F182 HydrophobicContact CE2-CE2 3.68Å; I8-F182 HydrophobicContact CD1-CE1 4.01Å; I8-F182 HydrophobicContact CD1-CZ 4.08Å; I8-F182 HydrophobicContact CG2-CZ 4.43Å; V16-F182 HydrophobicContact CG1-CD2 4.25Å; V16-F182 HydrophobicContact CG1-CE2 3.98Å; V16-F182 HydrophobicContact CG2-CE2 3.91Å; V16-F182 HydrophobicContact CG2-CZ 4.41Å; V157-F182 HydrophobicContact CB-CE1 4.46Å; V157-F182 HydrophobicContact CG1-CE1 4.24Å; M158-F182 CarbonylContact C-O 3.47Å; M158-F182 VanDerWaalsContact CA-O 3.28Å; M158-F182 WeakPolarHBondContact CA-O 3.41Å; S159-F182 PolarHBondContact N-O 3.33Å
183V97Very high89.7Confident0 Ų042.1 Ų42.10%020%0.201CC..EExtended strand (participates in β ladder)trans-136.5134.2168.5-177.30000108.3V16 L17 Y20 V156 V157 M158 P181 L215V16-V183 WeakPolarHBondContact CA-O 2.99Å; L17-V183 HydrophobicContact CB-CB 4.21Å; L17-V183 HydrophobicContact CD1-CB 4.13Å; L17-V183 HydrophobicContact CD1-CG1 3.65Å; L17-V183 HydrophobicContact CG-CB 4.3Å; L17-V183 HydrophobicContact CG-CG1 4.13Å; L17-V183 PolarHBondContact N-O 3.2Å; Y20-V183 HydrophobicContact CD1-CG2 3.61Å; Y20-V183 HydrophobicContact CD2-CB 4.23Å; Y20-V183 HydrophobicContact CD2-CG1 4.46Å; Y20-V183 HydrophobicContact CD2-CG2 3.84Å; Y20-V183 HydrophobicContact CE1-CG2 3.74Å; Y20-V183 HydrophobicContact CE2-CG2 4.01Å; Y20-V183 HydrophobicContact CG-CB 4.21Å; Y20-V183 HydrophobicContact CG-CG2 3.6Å; V156-V183 HydrophobicContact CG1-CG1 4.1Å; V157-V183 CarbonylContact O-C 3.6Å; V157-V183 WeakPolarHBondContact O-CA 3.23Å; M158-V183 HydrophobicContact CB-CB 4.37Å; M158-V183 HydrophobicContact CB-CG1 4.18Å; M158-V183 HydrophobicContact CB-CG2 3.89Å; P181-V183 PolarHBondContact O-N 3.23Å; V183-L215 HydrophobicContact CG1-CD1 4.25Å
184S97.7Very high90.9Very high0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-136.9144.7172.667.20000111.5I8 I15 V156 V157I8-S184 WeakPolarHBondContact CG2-OG 3.41Å; I15-S184 CarbonylContact O-C 3.59Å; I15-S184 VanDerWaalsContact O-CA 3.26Å; I15-S184 WeakPolarHBondContact O-CA 3.3Å; V156-S184 WeakPolarHBondContact CA-O 3.49Å; V157-S184 PolarHBondContact N-O 2.92Å; V157-S184 PolarHBondContact O-N 3.27Å
185V98.2Very high92Very high4 Ų443.8 Ų43.82%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-117.1121.4177.9-175.30000109G14 I15 I154 V156 L187 L202 L240G14-V185 WeakPolarHBondContact CA-O 3.28Å; I15-V185 PolarHBondContact N-O 2.85Å; I15-V185 PolarHBondContact O-N 2.95Å; I154-V185 HydrophobicContact CG2-CG1 4.03Å; V156-V185 HydrophobicContact CG2-CG2 4.33Å; V185-L187 HydrophobicContact CG1-CD2 4.01Å; V185-L202 HydrophobicContact CB-CD1 4.29Å; V185-L202 HydrophobicContact CB-CD2 4.09Å; V185-L202 HydrophobicContact CG1-CD2 3.88Å; V185-L202 HydrophobicContact CG2-CD1 4.35Å; V185-L240 HydrophobicContact CG2-CD1 4.1Å
186V97.7Very high93.1Very high7 Ų745.4 Ų45.44%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-103.7126.3172.4178.80000107.5L12 I154 L155L12-V186 HydrophobicContact CB-CG1 4.13Å; L12-V186 HydrophobicContact CB-CG2 3.88Å; L12-V186 HydrophobicContact CD1-CG2 4.28Å; I154-V186 WeakPolarHBondContact CA-O 3.03Å; L155-V186 HydrophobicContact CB-CB 4.15Å; L155-V186 HydrophobicContact CD2-CG2 4.44Å; L155-V186 PolarHBondContact N-O 3.1Å; L155-V186 PolarHBondContact O-N 2.85Å
187L96.7Very high93.9Very high6 Ų646.8 Ų46.83%0.03124%0.238CC..  trans-104146.2177.6-60.7179.6000109.4I154 V185 F191 R192 A199 L202 F241I154-L187 HydrophobicContact CD1-CD2 4.35Å; I154-L187 HydrophobicContact CG1-CD2 4.07Å; I154-L187 HydrophobicContact CG2-CD2 4.24Å; V185-L187 HydrophobicContact CG1-CD2 4.01Å; L187-F191 HydrophobicContact CB-CD1 4.49Å; L187-F191 HydrophobicContact CD1-CD1 3.79Å; L187-F191 HydrophobicContact CD1-CE1 4Å; L187-F191 HydrophobicContact CD2-CD1 4.49Å; L187-F191 HydrophobicContact CG-CD1 4.5Å; L187-R192 HydrophobicContact CB-CG 4.36Å; L187-R192 HydrophobicContact CD1-CG 4.49Å; L187-A199 HydrophobicContact CD1-CB 4.3Å; L187-L202 HydrophobicContact CD1-CD2 3.58Å; L187-L202 HydrophobicContact CD2-CD2 4.03Å; L187-L202 HydrophobicContact CG-CD2 3.78Å; L187-F241 HydrophobicContact CD1-CE1 4.2Å; L187-F241 HydrophobicContact CD2-CE1 3.82Å; L187-F241 HydrophobicContact CD2-CZ 3.86Å
188P96.4Very high94.6Very high6 Ų643.6 Ų43.64%0.03922%0.223CC..  trans-64.1148.8172.827.1-30000109.9T153 W190 F191T153-P188 WeakPolarHBondContact O-CD 3.25Å; P188-W190 VanDerWaalsContact C-N 3.31Å; P188-W190 HydrophobicContact CG-CZ2 3.97Å; P188-W190 PolarHBondContact O-N 3.22Å; P188-F191 HydrophobicContact CG-CB 3.82Å; P188-F191 WeakPolarHBondContact O-CB 3.43Å; P188-F191 PolarHBondContact O-N 2.82Å
189S92Very high95.2Very high75 Ų7543.9 Ų43.952%0.52423%0.227SC..Hα-helixtrans-57.9-42.4-172.756.90000112.5F191 R192 Q193S189-F191 VanDerWaalsContact C-N 3.28Å; S189-F191 PolarHBondContact O-N 2.83Å; S189-R192 PolarHBondContact O-N 3.3Å; S189-Q193 PolarHBondContact O-N 3.32Å
190W95.8Very high95.7Very high111 Ų11145.9 Ų45.942%0.4224%0.243SC..Hα-helixtrans-61.9-33.717867.5-104.8000112.4P188 R192 Q193 A194 Y195P188-W190 VanDerWaalsContact C-N 3.31Å; P188-W190 HydrophobicContact CG-CZ2 3.97Å; P188-W190 PolarHBondContact O-N 3.22Å; W190-R192 VanDerWaalsContact C-N 3.31Å; W190-R192 PolarHBondContact O-N 3.45Å; W190-Q193 PolarHBondContact O-N 3Å; W190-Q193 VanDerWaalsContact O-N 3.15Å; W190-A194 HydrophobicContact CE3-CB 4.37Å; W190-A194 WeakPolarHBondContact O-CB 3.35Å; W190-A194 PolarHBondContact O-N 2.91Å; W190-Y195 HydrophobicContact CZ3-CE2 4.13Å
191F95.8Very high96.2Very high11 Ų1143.4 Ų43.45%0.04823%0.229CC..Hα-helixtrans-66.5-36.9-179-176.1-78.3000111L187 P188 S189 Q193 Y195 L198 F225 F241L187-F191 HydrophobicContact CB-CD1 4.49Å; L187-F191 HydrophobicContact CD1-CD1 3.79Å; L187-F191 HydrophobicContact CD1-CE1 4Å; L187-F191 HydrophobicContact CD2-CD1 4.49Å; L187-F191 HydrophobicContact CG-CD1 4.5Å; P188-F191 HydrophobicContact CG-CB 3.82Å; P188-F191 WeakPolarHBondContact O-CB 3.43Å; P188-F191 PolarHBondContact O-N 2.82Å; S189-F191 VanDerWaalsContact C-N 3.28Å; S189-F191 PolarHBondContact O-N 2.83Å; F191-Q193 VanDerWaalsContact C-N 3.27Å; F191-Q193 PolarHBondContact O-N 3.24Å; F191-Y195 HydrophobicContact CD1-CD2 4.45Å; F191-Y195 AromaticContact CD2-CD2 3.75Å; F191-Y195 HydrophobicContact CD2-CD2 3.75Å; F191-Y195 HydrophobicContact CD2-CE2 4.25Å; F191-Y195 HydrophobicContact CE1-CD2 4.46Å; F191-Y195 AromaticContact CE2-CD2 3.75Å; F191-Y195 HydrophobicContact CE2-CD2 3.75Å; F191-Y195 HydrophobicContact CE2-CE2 4.28Å; F191-Y195 HydrophobicContact CG-CD2 4.12Å; F191-Y195 HydrophobicContact CZ-CD2 4.12Å; F191-Y195 WeakPolarHBondContact O-CA 3.35Å; F191-Y195 PolarHBondContact O-N 3.42Å; F191-L198 HydrophobicContact CE1-CB 4.32Å; F191-L198 HydrophobicContact CZ-CB 4.48Å; F191-L198 HydrophobicContact CZ-CD1 4.34Å; F191-F225 HydrophobicContact CE2-CE2 4.06Å; F191-F225 HydrophobicContact CE2-CZ 4.31Å; F191-F225 HydrophobicContact CZ-CE2 4.15Å; F191-F225 HydrophobicContact CZ-CZ 4.46Å; F191-F241 HydrophobicContact CE1-CD1 4.19Å; F191-F241 AromaticContact CE1-CE1 3.75Å; F191-F241 HydrophobicContact CE1-CE1 3.75Å; F191-F241 HydrophobicContact CE1-CZ 4.19Å; F191-F241 HydrophobicContact CZ-CD1 4.17Å; F191-F241 AromaticContact CZ-CE1 3.81Å; F191-F241 HydrophobicContact CZ-CE1 3.81Å; F191-F241 HydrophobicContact CZ-CE2 4.28Å; F191-F241 AromaticContact CZ-CZ 3.87Å; F191-F241 HydrophobicContact CZ-CZ 3.87Å
192R92.9Very high96.4Very high78 Ų7843.4 Ų43.429%0.29423%0.229SC..Hα-helixtrans-66-31.9176-62.1-178.9-177.8165.32.4112.5K13 L187 S189 W190 P196 A199K13-R192 VanDerWaalsContact CB-NH1 3.33Å; K13-R192 PolarHBondContact O-NH2 2.89Å; L187-R192 HydrophobicContact CB-CG 4.36Å; L187-R192 HydrophobicContact CD1-CG 4.49Å; S189-R192 PolarHBondContact O-N 3.3Å; W190-R192 VanDerWaalsContact C-N 3.31Å; W190-R192 PolarHBondContact O-N 3.45Å; R192-P196 WeakPolarHBondContact O-CA 3.3Å; R192-A199 HydrophobicContact CB-CB 4.47Å; R192-A199 HydrophobicContact CG-CB 4.28Å
193Q95.3Very high96.6Very high153 Ų15348 Ų4872%0.71525%0.249SC*.Hα-helixtrans-79.5-42178.8-62.5173.729.700111.3S189 W190 F191S189-Q193 PolarHBondContact O-N 3.32Å; W190-Q193 PolarHBondContact O-N 3Å; W190-Q193 VanDerWaalsContact O-N 3.15Å; F191-Q193 VanDerWaalsContact C-N 3.27Å; F191-Q193 PolarHBondContact O-N 3.24Å
194A97Very high96.7Very high56 Ų5650.6 Ų50.646%0.46326%0.262SS..Hα-helixtrans-74.4-35.2-179.700000113W190 P196W190-A194 HydrophobicContact CE3-CB 4.37Å; W190-A194 WeakPolarHBondContact O-CB 3.35Å; W190-A194 PolarHBondContact O-N 2.91Å; A194-P196 VanDerWaalsContact C-CD 3.47Å
195Y96.7Very high96.7Very high90 Ų9050.6 Ų50.635%0.35326%0.262SS..  trans-129.962.1-174.9-53.7-67.9000112.2W190 F191 D197 L198 A199 F225W190-Y195 HydrophobicContact CZ3-CE2 4.13Å; F191-Y195 HydrophobicContact CD1-CD2 4.45Å; F191-Y195 AromaticContact CD2-CD2 3.75Å; F191-Y195 HydrophobicContact CD2-CD2 3.75Å; F191-Y195 HydrophobicContact CD2-CE2 4.25Å; F191-Y195 HydrophobicContact CE1-CD2 4.46Å; F191-Y195 AromaticContact CE2-CD2 3.75Å; F191-Y195 HydrophobicContact CE2-CD2 3.75Å; F191-Y195 HydrophobicContact CE2-CE2 4.28Å; F191-Y195 HydrophobicContact CG-CD2 4.12Å; F191-Y195 HydrophobicContact CZ-CD2 4.12Å; F191-Y195 WeakPolarHBondContact O-CA 3.35Å; F191-Y195 PolarHBondContact O-N 3.42Å; Y195-D197 VanDerWaalsContact C-N 3.27Å; Y195-D197 PolarHBondContact O-N 2.93Å; Y195-L198 HydrophobicContact CD1-CD1 4.47Å; Y195-L198 HydrophobicContact CG-CD1 4.31Å; Y195-L198 PolarHBondContact O-N 2.84Å; Y195-L198 VanDerWaalsContact O-N 3.14Å; Y195-A199 PolarHBondContact O-N 3.41Å; Y195-F225 AromaticContact CD1-CE1 3.97Å; Y195-F225 HydrophobicContact CD1-CE1 3.97Å; Y195-F225 AromaticContact CD1-CZ 3.81Å; Y195-F225 HydrophobicContact CD1-CZ 3.81Å; Y195-F225 HydrophobicContact CD2-CE1 4.43Å; Y195-F225 AromaticContact CD2-CZ 3.89Å; Y195-F225 HydrophobicContact CD2-CZ 3.89Å; Y195-F225 AromaticContact CE1-CE1 3.44Å; Y195-F225 HydrophobicContact CE1-CE1 3.44Å; Y195-F225 VanDerWaalsContact CE1-CE1 3.44Å; Y195-F225 AromaticContact CE1-CZ 3.74Å; Y195-F225 HydrophobicContact CE1-CZ 3.74Å; Y195-F225 AromaticContact CE2-CE1 3.94Å; Y195-F225 HydrophobicContact CE2-CE1 3.94Å; Y195-F225 AromaticContact CE2-CZ 3.8Å; Y195-F225 HydrophobicContact CE2-CZ 3.8Å; Y195-F225 HydrophobicContact CG-CE1 4.44Å; Y195-F225 AromaticContact CG-CZ 3.89Å; Y195-F225 HydrophobicContact CG-CZ 3.89Å; Y195-F225 AromaticContact CZ-CE1 3.41Å; Y195-F225 VanDerWaalsContact CZ-CE1 3.41Å; Y195-F225 AromaticContact CZ-CZ 3.73Å
196P96.6Very high96.7Very high77 Ų7750.4 Ų50.450%0.526%0.262SS..Hα-helixtrans-60.2-36-17624.6-34.5000112.7R192 A194 A199 S200R192-P196 WeakPolarHBondContact O-CA 3.3Å; A194-P196 VanDerWaalsContact C-CD 3.47Å; P196-A199 PolarHBondContact O-N 3.31Å; P196-S200 WeakPolarHBondContact O-CB 3.23Å; P196-S200 PolarHBondContact O-N 2.89Å
197D96.9Very high96.7Very high82 Ų8255.2 Ų55.244%0.43928%0.282SS..Hα-helixtrans-62.3-44176.7-70.6-7.7000112Y195 S200 N201 K229Y195-D197 VanDerWaalsContact C-N 3.27Å; Y195-D197 PolarHBondContact O-N 2.93Å; D197-S200 WeakPolarHBondContact O-CB 3.47Å; D197-S200 PolarHBondContact O-N 3.05Å; D197-N201 PolarHBondContact O-N 2.83Å; D197-K229 IonicContact OD2-NZ 3.99Å; D197-K229 PolarHBondContact OD2-NZ 3.21Å
198L97.5Very high96.7Very high11 Ų1158.2 Ų58.26%0.05829%0.293CS..Hα-helixtrans-71.6-37.2-179.7-56.5-171.9000111.5F191 Y195 S200 N201 L202 F225 P227 F241F191-L198 HydrophobicContact CE1-CB 4.32Å; F191-L198 HydrophobicContact CZ-CB 4.48Å; F191-L198 HydrophobicContact CZ-CD1 4.34Å; Y195-L198 HydrophobicContact CD1-CD1 4.47Å; Y195-L198 HydrophobicContact CG-CD1 4.31Å; Y195-L198 PolarHBondContact O-N 2.84Å; Y195-L198 VanDerWaalsContact O-N 3.14Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-N201 PolarHBondContact O-N 2.93Å; L198-L202 PolarHBondContact O-N 3.37Å; L198-F225 HydrophobicContact CD1-CE1 4.44Å; L198-F225 HydrophobicContact CD1-CE2 3.51Å; L198-F225 HydrophobicContact CD1-CZ 3.34Å; L198-P227 HydrophobicContact CD1-CG 4.43Å; L198-F241 HydrophobicContact CB-CB 4.13Å; L198-F241 HydrophobicContact CB-CD1 4.18Å; L198-F241 HydrophobicContact CB-CG 4.42Å; L198-F241 HydrophobicContact CD1-CB 4.41Å; L198-F241 HydrophobicContact CD2-CB 4.36Å; L198-F241 WeakPolarHBondContact CD2-O 3.23Å
199A96.8Very high96.7Very high14 Ų1459.2 Ų59.212%0.11630%0.297CS..Hα-helixtrans-64.7-36.5172.400000111.8L187 R192 Y195 P196 L202 K203L187-A199 HydrophobicContact CD1-CB 4.3Å; R192-A199 HydrophobicContact CB-CB 4.47Å; R192-A199 HydrophobicContact CG-CB 4.28Å; Y195-A199 PolarHBondContact O-N 3.41Å; P196-A199 PolarHBondContact O-N 3.31Å; A199-L202 PolarHBondContact O-N 2.94Å; A199-K203 PolarHBondContact O-N 3.13Å; A199-K203 VanDerWaalsContact O-N 3.13Å
200S97.8Very high96.9Very high61 Ų6155.6 Ų55.643%0.42727%0.273SS..Hα-helixtrans-65-45.2173.1-171.40000111.5P196 D197 L198 L202 K203 I204P196-S200 WeakPolarHBondContact O-CB 3.23Å; P196-S200 PolarHBondContact O-N 2.89Å; D197-S200 WeakPolarHBondContact O-CB 3.47Å; D197-S200 PolarHBondContact O-N 3.05Å; L198-S200 VanDerWaalsContact C-N 3.31Å; S200-L202 VanDerWaalsContact C-N 3.33Å; S200-L202 PolarHBondContact O-N 2.88Å; S200-K203 WeakPolarHBondContact O-CA 3.41Å; S200-K203 WeakPolarHBondContact O-CB 3.35Å; S200-K203 PolarHBondContact O-N 3.03Å; S200-I204 WeakPolarHBondContact O-CG1 3.46Å; S200-I204 PolarHBondContact O-N 2.93Å
201N98.4Very high97Very high14 Ų1450.3 Ų50.38%0.07525%0.252CS..Hα-helixtrans-57.2-45174.6-78-7.9000111.9D197 L198 K203 I204 N205 K229 F241 E243D197-N201 PolarHBondContact O-N 2.83Å; L198-N201 PolarHBondContact O-N 2.93Å; N201-K203 VanDerWaalsContact C-N 3.29Å; N201-K203 PolarHBondContact O-N 3.36Å; N201-I204 PolarHBondContact O-N 2.96Å; N201-N205 VanDerWaalsContact O-CB 3.23Å; N201-N205 WeakPolarHBondContact O-CB 3.5Å; N201-N205 PolarHBondContact O-N 3.42Å; N201-N205 PolarHBondContact O-ND2 3.27Å; N201-K229 PolarHBondContact ND2-O 3.01Å; N201-F241 WeakPolarHBondContact CB-O 3.34Å; N201-F241 PolarHBondContact ND2-O 3.13Å; N201-E243 PolarHBondContact ND2-N 2.95Å
202L98.4Very high97.1Very high0 Ų049.8 Ų49.80%025%0.25CS..Hα-helixtrans-58.5-42.2175.2177.761.9000111.6I15 L17 V185 L187 L198 A199 S200 N205 G206 L240 F241I15-L202 HydrophobicContact CB-CD2 4.46Å; I15-L202 HydrophobicContact CB-CG 4.24Å; I15-L202 HydrophobicContact CD1-CB 4.17Å; I15-L202 HydrophobicContact CD1-CD2 3.66Å; I15-L202 HydrophobicContact CD1-CG 3.64Å; I15-L202 HydrophobicContact CG2-CG 4.17Å; L17-L202 HydrophobicContact CD2-CD1 4.43Å; V185-L202 HydrophobicContact CB-CD1 4.29Å; V185-L202 HydrophobicContact CB-CD2 4.09Å; V185-L202 HydrophobicContact CG1-CD2 3.88Å; V185-L202 HydrophobicContact CG2-CD1 4.35Å; L187-L202 HydrophobicContact CD1-CD2 3.58Å; L187-L202 HydrophobicContact CD2-CD2 4.03Å; L187-L202 HydrophobicContact CG-CD2 3.78Å; L198-L202 PolarHBondContact O-N 3.37Å; A199-L202 PolarHBondContact O-N 2.94Å; S200-L202 VanDerWaalsContact C-N 3.33Å; S200-L202 PolarHBondContact O-N 2.88Å; L202-N205 PolarHBondContact O-N 2.79Å; L202-G206 PolarHBondContact O-N 3.32Å; L202-L240 VanDerWaalsContact CA-O 3.27Å; L202-L240 WeakPolarHBondContact CA-O 3.39Å; L202-L240 HydrophobicContact CD1-CB 3.67Å; L202-L240 HydrophobicContact CD1-CD1 4.08Å; L202-L240 HydrophobicContact CD1-CG 4.42Å; L202-L240 PolarHBondContact N-O 2.85Å; L202-F241 HydrophobicContact CD2-CE1 4.33Å
203K98Very high97.4Very high152 Ų15246.2 Ų46.266%0.66124%0.237SC*.Hα-helixtrans-64.4-41.6177.3-171.9179.9-179.6-177.40112.5I15 A199 S200 N201 G206I15-K203 HydrophobicContact CD1-CB 4.24Å; A199-K203 PolarHBondContact O-N 3.13Å; A199-K203 VanDerWaalsContact O-N 3.13Å; S200-K203 WeakPolarHBondContact O-CA 3.41Å; S200-K203 WeakPolarHBondContact O-CB 3.35Å; S200-K203 PolarHBondContact O-N 3.03Å; N201-K203 VanDerWaalsContact C-N 3.29Å; N201-K203 PolarHBondContact O-N 3.36Å; K203-G206 PolarHBondContact O-N 2.63Å
204I98.5Very high97.5Very high54 Ų5439 Ų3928%0.27720%0.203SC..Hα-helixtrans-62.3-48.2174-67.7165.1000109.6S200 N201 G206 K207 R208 E243S200-I204 WeakPolarHBondContact O-CG1 3.46Å; S200-I204 PolarHBondContact O-N 2.93Å; N201-I204 PolarHBondContact O-N 2.96Å; I204-G206 PolarHBondContact O-N 3.46Å; I204-K207 PolarHBondContact O-N 2.72Å; I204-R208 HydrophobicContact CG2-CG 4.5Å; I204-E243 HydrophobicContact CG2-CG 4.24Å
205N98.4Very high97.6Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-64.6-25.9-178.2-70.4-18.4000113.1N201 L202 K207 R208 L240 T242 I244N201-N205 VanDerWaalsContact O-CB 3.23Å; N201-N205 WeakPolarHBondContact O-CB 3.5Å; N201-N205 PolarHBondContact O-N 3.42Å; N201-N205 PolarHBondContact O-ND2 3.27Å; L202-N205 PolarHBondContact O-N 2.79Å; N205-K207 PolarHBondContact O-N 3.35Å; N205-R208 PolarHBondContact O-N 2.66Å; N205-L240 HydrophobicContact CB-CD2 4.37Å; N205-L240 PolarHBondContact ND2-O 3.42Å; N205-T242 PolarHBondContact ND2-O 3.46Å; N205-I244 HydrophobicContact CB-CD1 4.19Å; N205-I244 VanDerWaalsContact OD1-CB 3.3Å; N205-I244 WeakPolarHBondContact OD1-CB 3.42Å; N205-I244 WeakPolarHBondContact OD1-CG1 3.35Å; N205-I244 PolarHBondContact OD1-N 3.08Å
206G97.7Very high97.6Very high1 Ų133 Ų331%0.0117%0.169CC..THydrogen-bonded Turntrans-56.1-18.7169.300000114.1V16 E18 L202 K203 I204V16-G206 WeakPolarHBondContact O-CA 3.41Å; E18-G206 PolarHBondContact N-O 3.47Å; L202-G206 PolarHBondContact O-N 3.32Å; K203-G206 PolarHBondContact O-N 2.63Å; I204-G206 PolarHBondContact O-N 3.46Å
207K97.3Very high97.7Very high108 Ų10830 Ų3047%0.4715%0.15SC..THydrogen-bonded Turntrans-108.97.8176.1-52.3-64.1-179.9158.50113.4E18 K19 I204 N205E18-K207 WeakPolarHBondContact OE1-CE 3.49Å; E18-K207 IonicContact OE1-NZ 2.71Å; E18-K207 PolarHBondContact OE1-NZ 2.9Å; E18-K207 WeakPolarHBondContact OE2-CD 3.22Å; E18-K207 WeakPolarHBondContact OE2-CE 3.21Å; E18-K207 IonicContact OE2-NZ 3.71Å; E18-K207 PolarHBondContact OE2-NZ 2.74Å; K19-K207 WeakPolarHBondContact CD-O 3.22Å; K19-K207 WeakPolarHBondContact CE-O 3.38Å; I204-K207 PolarHBondContact O-N 2.72Å; N205-K207 PolarHBondContact O-N 3.35Å
208R96.9Very high97.7Very high68 Ų6826.5 Ų26.526%0.25713%0.132SC..SBendtrans-108.5157.8-179.2-58.1-61.2-170.7-161.3-0.5110.8K19 I204 N205 T210 I244 A246K19-R208 WeakPolarHBondContact CB-O 3.32Å; I204-R208 HydrophobicContact CG2-CG 4.5Å; N205-R208 PolarHBondContact O-N 2.66Å; R208-T210 PolarHBondContact O-N 3.27Å; R208-I244 HydrophobicContact CB-CB 4.14Å; R208-I244 HydrophobicContact CB-CG2 4.13Å; R208-I244 HydrophobicContact CG-CB 4.26Å; R208-I244 PolarHBondContact NE-O 3.14Å; R208-A246 VanDerWaalsContact CZ-CA 3.46Å; R208-A246 VanDerWaalsContact CZ-CB 3.41Å; R208-A246 VanDerWaalsContact NH1-CA 3.28Å
209L96Very high97.6Very high27 Ų2728.8 Ų28.814%0.14114%0.144CC..  trans-63116.7172.8176.863.1000109.5N21 R248 A253 I255N21-L209 HydrophobicContact CB-CD1 3.83Å; L209-R248 PolarHBondContact O-NH1 2.92Å; L209-A253 HydrophobicContact CD2-CB 4.49Å; L209-I255 HydrophobicContact CD1-CD1 3.96Å; L209-I255 HydrophobicContact CD2-CD1 4.05Å; L209-I255 HydrophobicContact CG-CD1 4.3Å
210T97.5Very high97.6Very high0 Ų031.9 Ų31.90%016%0.156CC..BIsolated β-bridgetrans-128.1155.9178.355.40000110.3K19 Y20 N21 R208 D214 L240 I244K19-T210 PolarHBondContact O-N 3.09Å; Y20-T210 CarbonylContact C-O 3.2Å; Y20-T210 VanDerWaalsContact CA-O 3.3Å; Y20-T210 WeakPolarHBondContact CA-O 3.15Å; Y20-T210 WeakPolarHBondContact CA-OG1 3.43Å; Y20-T210 WeakPolarHBondContact CD2-OG1 3.24Å; N21-T210 PolarHBondContact N-O 2.95Å; R208-T210 PolarHBondContact O-N 3.27Å; T210-D214 VanDerWaalsContact CA-OD2 3.28Å; T210-D214 WeakPolarHBondContact CA-OD2 3.47Å; T210-L240 HydrophobicContact CG2-CD2 3.5Å; T210-I244 HydrophobicContact CG2-CD1 3.64Å
211T97.2Very high97.5Very high0 Ų029.4 Ų29.40%014%0.139CC..  trans-139.2168.5-175.764.70000110Y20 L23 F213 D214 L215 A253 I255Y20-T211 VanDerWaalsContact CE2-C 3.47Å; L23-T211 HydrophobicContact CD2-CG2 4.12Å; T211-F213 PolarHBondContact O-N 3.17Å; T211-F213 VanDerWaalsContact O-N 3.15Å; T211-F213 PolarHBondContact OG1-N 2.84Å; T211-D214 PolarHBondContact N-OD2 3.45Å; T211-D214 WeakPolarHBondContact O-CB 3.33Å; T211-D214 PolarHBondContact O-N 2.9Å; T211-D214 PolarHBondContact OG1-OD2 3.31Å; T211-L215 PolarHBondContact O-N 2.99Å; T211-A253 HydrophobicContact CG2-CB 4.02Å; T211-I255 HydrophobicContact CG2-CD1 3.66Å; T211-I255 HydrophobicContact CG2-CG1 3.88Å
212P97.7Very high97.2Very high0 Ų031.8 Ų31.80%015%0.151CC..Hα-helixtrans-48-34.4167.1-31.133000114.9Y20 N21 L23 A30 P33 L34 D214 L215 H216Y20-P212 HydrophobicContact CE1-CG 4.37Å; Y20-P212 VanDerWaalsContact OH-CA 3.26Å; Y20-P212 WeakPolarHBondContact OH-CA 3.42Å; Y20-P212 VanDerWaalsContact OH-CD 3.25Å; Y20-P212 WeakPolarHBondContact OH-CD 3.31Å; Y20-P212 WeakPolarHBondContact OH-CG 3.39Å; N21-P212 WeakPolarHBondContact O-CD 3.38Å; L23-P212 HydrophobicContact CD1-CB 3.82Å; L23-P212 HydrophobicContact CD1-CG 3.75Å; L23-P212 HydrophobicContact CG-CG 4.08Å; A30-P212 WeakPolarHBondContact O-CB 3.36Å; P33-P212 HydrophobicContact CB-CB 3.88Å; L34-P212 HydrophobicContact CB-CB 4.29Å; P212-D214 VanDerWaalsContact C-N 3.28Å; P212-D214 PolarHBondContact O-N 2.77Å; P212-L215 PolarHBondContact O-N 2.86Å; P212-H216 PolarHBondContact O-N 3.06Å
213F98.4Very high96.8Very high2 Ų234.1 Ų34.11%0.00916%0.163CC..Hα-helixtrans-63.2-34.9176.4-65.7-56.4000112.6L23 P33 G37 T39 T211 H216 A217 A237L23-F213 HydrophobicContact CD1-CD1 4.49Å; L23-F213 HydrophobicContact CD1-CD2 3.51Å; L23-F213 HydrophobicContact CD1-CE1 4.42Å; L23-F213 HydrophobicContact CD1-CE2 3.41Å; L23-F213 VanDerWaalsContact CD1-CE2 3.41Å; L23-F213 HydrophobicContact CD1-CG 4.07Å; L23-F213 HydrophobicContact CD1-CZ 3.9Å; L23-F213 HydrophobicContact CD2-CD2 4.11Å; L23-F213 HydrophobicContact CD2-CE2 3.93Å; L23-F213 HydrophobicContact CG-CD2 4.47Å; L23-F213 HydrophobicContact CG-CE2 4.3Å; P33-F213 HydrophobicContact CB-CD1 3.86Å; P33-F213 HydrophobicContact CB-CE1 3.65Å; P33-F213 HydrophobicContact CB-CZ 4.2Å; G37-F213 WeakPolarHBondContact O-CD1 3.18Å; G37-F213 VanDerWaalsContact O-CE1 3.32Å; G37-F213 WeakPolarHBondContact O-CE1 3.4Å; T39-F213 HydrophobicContact CG2-CZ 3.71Å; T211-F213 PolarHBondContact O-N 3.17Å; T211-F213 VanDerWaalsContact O-N 3.15Å; T211-F213 PolarHBondContact OG1-N 2.84Å; F213-H216 WeakPolarHBondContact O-CB 3.33Å; F213-H216 PolarHBondContact O-N 3.14Å; F213-A217 PolarHBondContact O-N 3.47Å; F213-A237 HydrophobicContact CB-CB 3.81Å; F213-A237 WeakPolarHBondContact O-CB 3.22Å
214D98.6Very high96.5Very high1 Ų134.5 Ų34.51%0.00516%0.164CC..Hα-helixtrans-72.2-35.1179.2-57.5-55.1000111.3T210 T211 P212 A217 T218 I238 L240 R248T210-D214 VanDerWaalsContact CA-OD2 3.28Å; T210-D214 WeakPolarHBondContact CA-OD2 3.47Å; T211-D214 PolarHBondContact N-OD2 3.45Å; T211-D214 WeakPolarHBondContact O-CB 3.33Å; T211-D214 PolarHBondContact O-N 2.9Å; T211-D214 PolarHBondContact OG1-OD2 3.31Å; P212-D214 VanDerWaalsContact C-N 3.28Å; P212-D214 PolarHBondContact O-N 2.77Å; D214-A217 PolarHBondContact O-N 2.9Å; D214-T218 WeakPolarHBondContact O-CB 3.16Å; D214-T218 PolarHBondContact O-N 3.22Å; D214-T218 PolarHBondContact O-OG1 2.97Å; D214-I238 VanDerWaalsContact CB-O 3.28Å; D214-I238 WeakPolarHBondContact CB-O 3.44Å; D214-I238 PolarHBondContact OD1-N 2.85Å; D214-L240 HydrophobicContact CB-CD2 4.35Å; D214-R248 IonicContact OD1-CZ 3.59Å; D214-R248 IonicContact OD1-NH1 3.54Å; D214-R248 PolarHBondContact OD1-NH1 3.4Å; D214-R248 IonicContact OD1-NH2 3.61Å; D214-R248 PolarHBondContact OD1-NH2 3.05Å; D214-R248 IonicContact OD2-CZ 2.95Å; D214-R248 IonicContact OD2-NH1 2.67Å; D214-R248 PolarHBondContact OD2-NH1 2.87Å; D214-R248 IonicContact OD2-NH2 2.68Å; D214-R248 PolarHBondContact OD2-NH2 3.39Å
215L97.9Very high96.3Very high8 Ų835.3 Ų35.34%0.04217%0.166CC..Hα-helixtrans-62.9-44.1169.5-73.7173.4000110.9L17 Y20 L34 V156 M158 V183 T211 P212 T218 L219 L240L17-L215 HydrophobicContact CD1-CD2 4.45Å; Y20-L215 HydrophobicContact CE2-CD1 3.54Å; Y20-L215 HydrophobicContact CE2-CG 4.01Å; Y20-L215 WeakPolarHBondContact OH-CD1 3.36Å; L34-L215 HydrophobicContact CD1-CB 4.07Å; L34-L215 HydrophobicContact CD1-CD1 3.63Å; L34-L215 HydrophobicContact CG-CB 4.29Å; V156-L215 HydrophobicContact CG1-CD2 4.34Å; M158-L215 HydrophobicContact SD-CD1 4.4Å; V183-L215 HydrophobicContact CG1-CD1 4.25Å; T211-L215 PolarHBondContact O-N 2.99Å; P212-L215 PolarHBondContact O-N 2.86Å; L215-T218 WeakPolarHBondContact O-CA 3.35Å; L215-T218 VanDerWaalsContact O-CB 3.29Å; L215-T218 WeakPolarHBondContact O-CB 3.31Å; L215-T218 PolarHBondContact O-N 3.3Å; L215-T218 VanDerWaalsContact O-N 3.12Å; L215-L219 WeakPolarHBondContact O-CG 3.18Å; L215-L219 PolarHBondContact O-N 2.03Å; L215-L240 HydrophobicContact CD2-CD1 3.62Å
216H98Very high96.1Very high14 Ų1439.9 Ų39.97%0.06520%0.196CC..Hα-helixtrans-57.9-50.7174.2-172.181.2000112L34 T36 G37 P212 F213 T218 L219 E220L34-H216 WeakPolarHBondContact O-CB 3.45Å; L34-H216 PolarHBondContact O-ND1 3.13Å; T36-H216 VanDerWaalsContact C-CE1 3.42Å; G37-H216 WeakPolarHBondContact CA-CD2 3.44Å; G37-H216 VanDerWaalsContact CA-CG 3.5Å; G37-H216 PolarHBondContact N-CE1 3.32Å; G37-H216 VanDerWaalsContact N-CE1 3.26Å; G37-H216 PolarHBondContact N-ND1 3.05Å; G37-H216 PolarHBondContact N-NE2 3.41Å; P212-H216 PolarHBondContact O-N 3.06Å; F213-H216 WeakPolarHBondContact O-CB 3.33Å; F213-H216 PolarHBondContact O-N 3.14Å; H216-T218 PolarHBondContact O-N 3.28Å; H216-L219 WeakPolarHBondContact O-CA 2.82Å; H216-L219 WeakPolarHBondContact O-CB 3.49Å; H216-L219 PolarHBondContact O-N 2.84Å; H216-E220 IonicContact CD2-OE2 2.77Å; H216-E220 IonicContact NE2-OE1 2.79Å; H216-E220 IonicContact NE2-OE2 3.21Å; H216-E220 PolarHBondContact O-N 2.79Å
217A98Very high96Very high12 Ų1240.5 Ų40.510%0.09920%0.2CC..Hα-helixtrans-61.1-29.5176.700000112.5F213 D214 S221 A237F213-A217 PolarHBondContact O-N 3.47Å; D214-A217 PolarHBondContact O-N 2.9Å; A217-S221 WeakPolarHBondContact O-CB 3.46Å; A217-S221 PolarHBondContact O-N 3.35Å; A217-S221 PolarHBondContact O-OG 2.91Å; A217-A237 HydrophobicContact CB-CB 3.91Å
218T97.7Very high95.9Very high10 Ų1039.5 Ų39.56%0.06120%0.204CC..Hα-helixtrans-66-46.2172.6-53.50000110.9D214 L215 H216 S221 I222 L240 F241D214-T218 WeakPolarHBondContact O-CB 3.16Å; D214-T218 PolarHBondContact O-N 3.22Å; D214-T218 PolarHBondContact O-OG1 2.97Å; L215-T218 WeakPolarHBondContact O-CA 3.35Å; L215-T218 VanDerWaalsContact O-CB 3.29Å; L215-T218 WeakPolarHBondContact O-CB 3.31Å; L215-T218 PolarHBondContact O-N 3.3Å; L215-T218 VanDerWaalsContact O-N 3.12Å; H216-T218 PolarHBondContact O-N 3.28Å; T218-S221 WeakPolarHBondContact CA-OG 3.28Å; T218-S221 PolarHBondContact O-N 3.43Å; T218-S221 PolarHBondContact O-OG 2.79Å; T218-I222 WeakPolarHBondContact O-CG1 3.29Å; T218-I222 PolarHBondContact O-N 2.91Å; T218-I222 VanDerWaalsContact O-N 3.1Å; T218-L240 HydrophobicContact CG2-CB 4.22Å; T218-L240 WeakPolarHBondContact OG1-CB 3.29Å; T218-L240 VanDerWaalsContact OG1-CG 3.28Å; T218-L240 WeakPolarHBondContact OG1-CG 3.48Å; T218-L240 PolarHBondContact OG1-N 2.88Å; T218-F241 HydrophobicContact CG2-CD2 3.84Å; T218-F241 HydrophobicContact CG2-CE2 3.57Å; T218-F241 HydrophobicContact CG2-CZ 4.18Å
219L95.6Very high95.9Very high59 Ų5942.3 Ų42.331%0.30922%0.218SC..Hα-helixtrans-60.3-46174.5-62.5175.6000111.4I62 L215 H216 S221 I222 L223I62-L219 HydrophobicContact CG1-CB 4.31Å; I62-L219 HydrophobicContact CG2-CD1 4.21Å; L215-L219 WeakPolarHBondContact O-CG 3.18Å; L215-L219 PolarHBondContact O-N 2.03Å; H216-L219 WeakPolarHBondContact O-CA 2.82Å; H216-L219 WeakPolarHBondContact O-CB 3.49Å; H216-L219 PolarHBondContact O-N 2.84Å; L219-S221 VanDerWaalsContact C-N 3.29Å; L219-S221 PolarHBondContact O-N 3.26Å; L219-I222 HydrophobicContact CD2-CD1 4.5Å; L219-I222 WeakPolarHBondContact O-CB 3.05Å; L219-I222 PolarHBondContact O-N 3.25Å; L219-I222 VanDerWaalsContact O-N 3.16Å; L219-L223 PolarHBondContact O-N 3.36Å
220E95.6Very high95.9Very high79 Ų7949 Ų4937%0.36925%0.246SC..Hα-helixtrans-60.1-38.6175.4-68.4-169.7113.100112.3I62 H216 I222 L223 K224I62-E220 HydrophobicContact CD1-CG 3.94Å; H216-E220 IonicContact CD2-OE2 2.77Å; H216-E220 IonicContact NE2-OE1 2.79Å; H216-E220 IonicContact NE2-OE2 3.21Å; H216-E220 PolarHBondContact O-N 2.79Å; E220-I222 VanDerWaalsContact C-N 3.29Å; E220-I222 PolarHBondContact O-N 2.85Å; E220-L223 WeakPolarHBondContact O-CB 3.43Å; E220-L223 PolarHBondContact O-N 3.44Å; E220-L223 VanDerWaalsContact O-N 3.16Å; E220-K224 PolarHBondContact O-N 3.12Å
221S95.2Very high95.9Very high9 Ų949.8 Ų49.86%0.06326%0.255CS..Hα-helixtrans-70.2-23.6178.370.30000114.3A217 T218 L219 L223 K224 F225 S239A217-S221 WeakPolarHBondContact O-CB 3.46Å; A217-S221 PolarHBondContact O-N 3.35Å; A217-S221 PolarHBondContact O-OG 2.91Å; T218-S221 WeakPolarHBondContact CA-OG 3.28Å; T218-S221 PolarHBondContact O-N 3.43Å; T218-S221 PolarHBondContact O-OG 2.79Å; L219-S221 VanDerWaalsContact C-N 3.29Å; L219-S221 PolarHBondContact O-N 3.26Å; S221-L223 VanDerWaalsContact C-N 3.34Å; S221-K224 CarbonylContact O-C 3.51Å; S221-F225 WeakPolarHBondContact O-CA 3.22Å; S221-F225 PolarHBondContact O-N 3.37Å; S221-S239 PolarHBondContact OG-OG 3.3Å
222I91.9Very high95.9Very high64 Ų6454 Ų5433%0.32828%0.277SS..Hα-helixtrans-70.2-38171.6-67.4160.1000109.5I154 T218 L219 E220 F241I154-I222 HydrophobicContact CD1-CD1 3.51Å; I154-I222 HydrophobicContact CD1-CG1 4.11Å; T218-I222 WeakPolarHBondContact O-CG1 3.29Å; T218-I222 PolarHBondContact O-N 2.91Å; T218-I222 VanDerWaalsContact O-N 3.1Å; L219-I222 HydrophobicContact CD2-CD1 4.5Å; L219-I222 WeakPolarHBondContact O-CB 3.05Å; L219-I222 PolarHBondContact O-N 3.25Å; L219-I222 VanDerWaalsContact O-N 3.16Å; E220-I222 VanDerWaalsContact C-N 3.29Å; E220-I222 PolarHBondContact O-N 2.85Å; I222-F241 HydrophobicContact CD1-CE2 4.2Å; I222-F241 HydrophobicContact CG1-CE2 3.91Å
223L91.3Very high95.9Very high49 Ų4955.9 Ų55.926%0.25729%0.287SS..Hα-helixtrans-71.7-34.3175-57.2-175.6000112.5I62 E65 L66 L69 Y71 L219 E220 S221I62-L223 HydrophobicContact CD1-CD1 4.13Å; E65-L223 HydrophobicContact CB-CD1 4.29Å; L66-L223 HydrophobicContact CD2-CD2 3.67Å; L66-L223 HydrophobicContact CG-CD2 4.48Å; L69-L223 HydrophobicContact CD1-CB 4.39Å; L69-L223 HydrophobicContact CD1-CD1 4.2Å; L69-L223 HydrophobicContact CD1-CD2 3.69Å; L69-L223 HydrophobicContact CD1-CG 4.31Å; Y71-L223 HydrophobicContact CE2-CD2 4.49Å; L219-L223 PolarHBondContact O-N 3.36Å; E220-L223 WeakPolarHBondContact O-CB 3.43Å; E220-L223 PolarHBondContact O-N 3.44Å; E220-L223 VanDerWaalsContact O-N 3.16Å; S221-L223 VanDerWaalsContact C-N 3.34Å
224K91.8Very high95.8Very high159 Ų15960.4 Ų60.469%0.69132%0.319SS*.SBendtrans-116.967.6-179.2-63.6175.5-174.9166.60110.3E220 S221E220-K224 PolarHBondContact O-N 3.12Å; S221-K224 CarbonylContact O-C 3.51Å
225F94Very high95.7Very high71 Ų7165.3 Ų65.331%0.31134%0.342SS..PPolyproline II helixtrans-92144.9-173.9-163.4-89000112F191 Y195 L198 S221F191-F225 HydrophobicContact CE2-CE2 4.06Å; F191-F225 HydrophobicContact CE2-CZ 4.31Å; F191-F225 HydrophobicContact CZ-CE2 4.15Å; F191-F225 HydrophobicContact CZ-CZ 4.46Å; Y195-F225 AromaticContact CD1-CE1 3.97Å; Y195-F225 HydrophobicContact CD1-CE1 3.97Å; Y195-F225 AromaticContact CD1-CZ 3.81Å; Y195-F225 HydrophobicContact CD1-CZ 3.81Å; Y195-F225 HydrophobicContact CD2-CE1 4.43Å; Y195-F225 AromaticContact CD2-CZ 3.89Å; Y195-F225 HydrophobicContact CD2-CZ 3.89Å; Y195-F225 AromaticContact CE1-CE1 3.44Å; Y195-F225 HydrophobicContact CE1-CE1 3.44Å; Y195-F225 VanDerWaalsContact CE1-CE1 3.44Å; Y195-F225 AromaticContact CE1-CZ 3.74Å; Y195-F225 HydrophobicContact CE1-CZ 3.74Å; Y195-F225 AromaticContact CE2-CE1 3.94Å; Y195-F225 HydrophobicContact CE2-CE1 3.94Å; Y195-F225 AromaticContact CE2-CZ 3.8Å; Y195-F225 HydrophobicContact CE2-CZ 3.8Å; Y195-F225 HydrophobicContact CG-CE1 4.44Å; Y195-F225 AromaticContact CG-CZ 3.89Å; Y195-F225 HydrophobicContact CG-CZ 3.89Å; Y195-F225 AromaticContact CZ-CE1 3.41Å; Y195-F225 VanDerWaalsContact CZ-CE1 3.41Å; Y195-F225 AromaticContact CZ-CZ 3.73Å; L198-F225 HydrophobicContact CD1-CE1 4.44Å; L198-F225 HydrophobicContact CD1-CE2 3.51Å; L198-F225 HydrophobicContact CD1-CZ 3.34Å; S221-F225 WeakPolarHBondContact O-CA 3.22Å; S221-F225 PolarHBondContact O-N 3.37Å
226P93.7Very high95.6Very high97 Ų9767.8 Ų67.863%0.6335%0.351SS*.SBendcis-85.3149.1-3.233.4-33.6000113.3
227P95.8Very high95.6Very high13 Ų1368.4 Ų68.48%0.08436%0.358CS..PPolyproline II helixtrans-70.4163170.325.1-28.4000112.5L198 F241L198-P227 HydrophobicContact CD1-CG 4.43Å; P227-F241 HydrophobicContact CG-CB 3.69Å
228P95.7Very high95.6Very high88 Ų8868 Ų6857%0.57135%0.354SS*.PPolyproline II helixtrans-56.5148.2170-22.433.1000112.1T242P228-T242 HydrophobicContact CB-CG2 4.44Å; P228-T242 WeakPolarHBondContact O-CA 3.35Å; P228-T242 VanDerWaalsContact O-CB 3.24Å; P228-T242 WeakPolarHBondContact O-CB 3.44Å; P228-T242 VanDerWaalsContact O-CG2 3.24Å; P228-T242 WeakPolarHBondContact O-CG2 3.36Å; P228-T242 PolarHBondContact O-OG1 3.05Å
229K95.5Very high95.7Very high126 Ų12667.9 Ų67.955%0.54835%0.354SS..SBendtrans-74-30177.2-65.3-166.9-177.8-1690113.4D197 N201 E243D197-K229 IonicContact OD2-NZ 3.99Å; D197-K229 PolarHBondContact OD2-NZ 3.21Å; N201-K229 PolarHBondContact ND2-O 3.01Å; K229-E243 WeakPolarHBondContact O-CB 3.46Å; K229-E243 PolarHBondContact O-N 3.22Å
230K97.3Very high95.8Very high168 Ų16865.1 Ų65.173%0.7334%0.339SS*.BIsolated β-bridgetrans-121.7135.4-177.5-66.8-173.6177.5-177.10111.1T242K230-T242 WeakPolarHBondContact O-CG2 3.43Å
231G97.1Very high95.9Very high17 Ų1761.4 Ų61.418%0.17532%0.322CS..  trans-82.2156.3-178.700000112.8T242 E243G231-T242 VanDerWaalsContact CA-CG2 3.4Å; G231-E243 WeakPolarHBondContact CA-O 3.42Å; G231-E243 PolarHBondContact N-O 3.33Å
232N97.2Very high96.1Very high87 Ų8761.3 Ų61.347%0.46532%0.321SS..  trans-114124.6175.8-175.1-11.3000109.7S234 Q235N232-S234 PolarHBondContact ND2-OG 3.37Å; N232-S234 VanDerWaalsContact ND2-OG 3.08Å; N232-S234 PolarHBondContact O-N 3.21Å; N232-S234 WeakPolarHBondContact OD1-CB 3.43Å; N232-S234 PolarHBondContact OD1-N 3.44Å; N232-S234 PolarHBondContact OD1-OG 3.18Å; N232-S234 VanDerWaalsContact OD1-OG 3.12Å; N232-Q235 HydrophobicContact CB-CG 4.41Å; N232-Q235 WeakPolarHBondContact O-CB 3.44Å; N232-Q235 PolarHBondContact O-N 3.47Å
233L97.3Very high96.4Very high40 Ų4061.3 Ų61.321%0.20932%0.32CS..THydrogen-bonded Turntrans-67.5-11.2178.9-67.9-178.3000114Q235 P245 R248 H252L233-Q235 PolarHBondContact O-N 2.94Å; L233-P245 HydrophobicContact CD1-CB 4.3Å; L233-P245 HydrophobicContact CD2-CB 3.92Å; L233-P245 HydrophobicContact CD2-CG 3.87Å; L233-P245 HydrophobicContact CG-CB 4.05Å; L233-P245 HydrophobicContact CG-CG 3.93Å; L233-R248 HydrophobicContact CD2-CB 3.8Å; L233-R248 HydrophobicContact CD2-CG 3.86Å; L233-H252 HydrophobicContact CD2-CB 4.18Å
234S96.8Very high96.7Very high97 Ų9759 Ų5968%0.67831%0.307SS*.THydrogen-bonded Turntrans-71.8-15.9169.177.10000112.6N232N232-S234 PolarHBondContact ND2-OG 3.37Å; N232-S234 VanDerWaalsContact ND2-OG 3.08Å; N232-S234 PolarHBondContact O-N 3.21Å; N232-S234 WeakPolarHBondContact OD1-CB 3.43Å; N232-S234 PolarHBondContact OD1-N 3.44Å; N232-S234 PolarHBondContact OD1-OG 3.18Å; N232-S234 VanDerWaalsContact OD1-OG 3.12Å
235Q96.5Very high97.1Very high104 Ų10452.8 Ų52.849%0.48628%0.283SS..SBendtrans-95122.9175.9-61.5178.7-50.200109.3N232 L233 A237N232-Q235 HydrophobicContact CB-CG 4.41Å; N232-Q235 WeakPolarHBondContact O-CB 3.44Å; N232-Q235 PolarHBondContact O-N 3.47Å; L233-Q235 PolarHBondContact O-N 2.94Å; Q235-A237 PolarHBondContact O-N 2.67Å
236R96.3Very high97.2Very high61 Ų6152.6 Ų52.623%0.2330%0.295CS..SBendtrans-60.3-29.3176.975.6178.7-177.7-173.64.4113.2G37 E42 R248 H252 N254G37-R236 PolarHBondContact O-NH2 3.25Å; E42-R236 IonicContact OE1-CZ 3.02Å; E42-R236 IonicContact OE1-NH1 2.79Å; E42-R236 PolarHBondContact OE1-NH1 3.21Å; E42-R236 IonicContact OE1-NH2 2.71Å; E42-R236 IonicContact OE2-CZ 3.67Å; E42-R236 IonicContact OE2-NH1 3.94Å; E42-R236 PolarHBondContact OE2-NH1 2.85Å; E42-R236 IonicContact OE2-NH2 2.7Å; E42-R236 PolarHBondContact OE2-NH2 3.24Å; R236-R248 PolarHBondContact O-NH2 2.75Å; R236-H252 WeakPolarHBondContact CA-O 3.35Å; R236-N254 HydrophobicContact CB-CB 4.36Å; R236-N254 VanDerWaalsContact CB-OD1 3.31Å; R236-N254 WeakPolarHBondContact CB-OD1 3.34Å
237A97.8Very high97.2Very high26 Ų2653 Ų5322%0.21529%0.292CS..  trans-121.6131-175.700000109.2F213 A217 Q235F213-A237 HydrophobicContact CB-CB 3.81Å; F213-A237 WeakPolarHBondContact O-CB 3.22Å; A217-A237 HydrophobicContact CB-CB 3.91Å; Q235-A237 PolarHBondContact O-N 2.67Å
238I98.3Very high97.2Very high3 Ų353.2 Ų53.22%0.01529%0.291CS..  trans-130.6125.5178.6-59.1172.6000107.1D214 T242 I244D214-I238 VanDerWaalsContact CB-O 3.28Å; D214-I238 WeakPolarHBondContact CB-O 3.44Å; D214-I238 PolarHBondContact OD1-N 2.85Å; I238-T242 HydrophobicContact CG2-CG2 3.72Å; I238-I244 HydrophobicContact CB-CG1 3.99Å; I238-I244 HydrophobicContact CD1-CG2 4.48Å; I238-I244 HydrophobicContact CG2-CG1 3.72Å
239S98.3Very high97.1Very high9 Ų954 Ų546%0.06329%0.287CS..  trans-53.7141.6176.1171.20000110.7S221 F241 T242S221-S239 PolarHBondContact OG-OG 3.3Å; S239-F241 PolarHBondContact O-N 3.2Å; S239-F241 VanDerWaalsContact O-N 3.15Å; S239-F241 PolarHBondContact OG-N 3.08Å; S239-T242 WeakPolarHBondContact O-CA 3.46Å; S239-T242 WeakPolarHBondContact O-CB 3.37Å; S239-T242 PolarHBondContact O-N 2.76Å
240L98.4Very high97Very high1 Ų148.5 Ų48.51%0.00527%0.265CS..THydrogen-bonded Turntrans-66.2-14.1176.3-63.1176.4000112.8L17 V185 L202 N205 T210 D214 L215 T218 T242 I244L17-L240 HydrophobicContact CD1-CD1 3.78Å; L17-L240 HydrophobicContact CD1-CD2 4.31Å; L17-L240 HydrophobicContact CD2-CD1 4.32Å; L17-L240 HydrophobicContact CD2-CD2 4.37Å; V185-L240 HydrophobicContact CG2-CD1 4.1Å; L202-L240 VanDerWaalsContact CA-O 3.27Å; L202-L240 WeakPolarHBondContact CA-O 3.39Å; L202-L240 HydrophobicContact CD1-CB 3.67Å; L202-L240 HydrophobicContact CD1-CD1 4.08Å; L202-L240 HydrophobicContact CD1-CG 4.42Å; L202-L240 PolarHBondContact N-O 2.85Å; N205-L240 HydrophobicContact CB-CD2 4.37Å; N205-L240 PolarHBondContact ND2-O 3.42Å; T210-L240 HydrophobicContact CG2-CD2 3.5Å; D214-L240 HydrophobicContact CB-CD2 4.35Å; L215-L240 HydrophobicContact CD2-CD1 3.62Å; T218-L240 HydrophobicContact CG2-CB 4.22Å; T218-L240 WeakPolarHBondContact OG1-CB 3.29Å; T218-L240 VanDerWaalsContact OG1-CG 3.28Å; T218-L240 WeakPolarHBondContact OG1-CG 3.48Å; T218-L240 PolarHBondContact OG1-N 2.88Å; L240-T242 VanDerWaalsContact C-N 3.33Å; L240-I244 HydrophobicContact CD2-CD1 4.28Å
241F98.3Very high96.7Very high1 Ų146.6 Ų46.60%0.00426%0.256CS..THydrogen-bonded Turntrans-84.9-7170.8-60.4-49.1000113.4I154 L187 F191 L198 N201 L202 T218 I222 P227 S239I154-F241 HydrophobicContact CD1-CE2 4.49Å; I154-F241 HydrophobicContact CD1-CZ 4.12Å; L187-F241 HydrophobicContact CD1-CE1 4.2Å; L187-F241 HydrophobicContact CD2-CE1 3.82Å; L187-F241 HydrophobicContact CD2-CZ 3.86Å; F191-F241 HydrophobicContact CE1-CD1 4.19Å; F191-F241 AromaticContact CE1-CE1 3.75Å; F191-F241 HydrophobicContact CE1-CE1 3.75Å; F191-F241 HydrophobicContact CE1-CZ 4.19Å; F191-F241 HydrophobicContact CZ-CD1 4.17Å; F191-F241 AromaticContact CZ-CE1 3.81Å; F191-F241 HydrophobicContact CZ-CE1 3.81Å; F191-F241 HydrophobicContact CZ-CE2 4.28Å; F191-F241 AromaticContact CZ-CZ 3.87Å; F191-F241 HydrophobicContact CZ-CZ 3.87Å; L198-F241 HydrophobicContact CB-CB 4.13Å; L198-F241 HydrophobicContact CB-CD1 4.18Å; L198-F241 HydrophobicContact CB-CG 4.42Å; L198-F241 HydrophobicContact CD1-CB 4.41Å; L198-F241 HydrophobicContact CD2-CB 4.36Å; L198-F241 WeakPolarHBondContact CD2-O 3.23Å; N201-F241 WeakPolarHBondContact CB-O 3.34Å; N201-F241 PolarHBondContact ND2-O 3.13Å; L202-F241 HydrophobicContact CD2-CE1 4.33Å; T218-F241 HydrophobicContact CG2-CD2 3.84Å; T218-F241 HydrophobicContact CG2-CE2 3.57Å; T218-F241 HydrophobicContact CG2-CZ 4.18Å; I222-F241 HydrophobicContact CD1-CE2 4.2Å; I222-F241 HydrophobicContact CG1-CE2 3.91Å; P227-F241 HydrophobicContact CG-CB 3.69Å; S239-F241 PolarHBondContact O-N 3.2Å; S239-F241 VanDerWaalsContact O-N 3.15Å; S239-F241 PolarHBondContact OG-N 3.08Å
242T98.5Very high96.7Very high6 Ų647.9 Ų47.94%0.03726%0.258CS..SBendtrans-105.2128.9176.2-62.30000109N205 P228 K230 G231 I238 S239 L240 I244N205-T242 PolarHBondContact ND2-O 3.46Å; P228-T242 HydrophobicContact CB-CG2 4.44Å; P228-T242 WeakPolarHBondContact O-CA 3.35Å; P228-T242 VanDerWaalsContact O-CB 3.24Å; P228-T242 WeakPolarHBondContact O-CB 3.44Å; P228-T242 VanDerWaalsContact O-CG2 3.24Å; P228-T242 WeakPolarHBondContact O-CG2 3.36Å; P228-T242 PolarHBondContact O-OG1 3.05Å; K230-T242 WeakPolarHBondContact O-CG2 3.43Å; G231-T242 VanDerWaalsContact CA-CG2 3.4Å; I238-T242 HydrophobicContact CG2-CG2 3.72Å; S239-T242 WeakPolarHBondContact O-CA 3.46Å; S239-T242 WeakPolarHBondContact O-CB 3.37Å; S239-T242 PolarHBondContact O-N 2.76Å; L240-T242 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.48Å
243E98.5Very high96.6Very high65 Ų6543.8 Ų43.830%0.30424%0.235SC..BIsolated β-bridgetrans-60.1115.3-177.6-168-172.9160.500110.9N201 I204 K229 G231 P245N201-E243 PolarHBondContact ND2-N 2.95Å; I204-E243 HydrophobicContact CG2-CG 4.24Å; K229-E243 WeakPolarHBondContact O-CB 3.46Å; K229-E243 PolarHBondContact O-N 3.22Å; G231-E243 WeakPolarHBondContact CA-O 3.42Å; G231-E243 PolarHBondContact N-O 3.33Å; E243-P245 WeakPolarHBondContact O-CD 3.47Å
244I98.6Very high96.4Very high0 Ų046.3 Ų46.30%025%0.249CC..  trans-77.2124.2177.5-64.2171.6000108.2N205 R208 T210 I238 L240 T242 A246 R248N205-I244 HydrophobicContact CB-CD1 4.19Å; N205-I244 VanDerWaalsContact OD1-CB 3.3Å; N205-I244 WeakPolarHBondContact OD1-CB 3.42Å; N205-I244 WeakPolarHBondContact OD1-CG1 3.35Å; N205-I244 PolarHBondContact OD1-N 3.08Å; R208-I244 HydrophobicContact CB-CB 4.14Å; R208-I244 HydrophobicContact CB-CG2 4.13Å; R208-I244 HydrophobicContact CG-CB 4.26Å; R208-I244 PolarHBondContact NE-O 3.14Å; T210-I244 HydrophobicContact CG2-CD1 3.64Å; I238-I244 HydrophobicContact CB-CG1 3.99Å; I238-I244 HydrophobicContact CD1-CG2 4.48Å; I238-I244 HydrophobicContact CG2-CG1 3.72Å; L240-I244 HydrophobicContact CD2-CD1 4.28Å; T242-I244 PolarHBondContact O-N 3.48Å; I244-A246 PolarHBondContact O-N 2.86Å; I244-R248 HydrophobicContact CG2-CB 4.12Å; I244-R248 VanDerWaalsContact CG2-CD 3.47Å; I244-R248 HydrophobicContact CG2-CG 4.45Å
245P98.2Very high96.2Very high28 Ų2842.1 Ų42.118%0.18222%0.219CC..  trans-55.2136.6-178.4-28.336.7000112.7L233 E243 N247 R248L233-P245 HydrophobicContact CD1-CB 4.3Å; L233-P245 HydrophobicContact CD2-CB 3.92Å; L233-P245 HydrophobicContact CD2-CG 3.87Å; L233-P245 HydrophobicContact CG-CB 4.05Å; L233-P245 HydrophobicContact CG-CG 3.93Å; E243-P245 WeakPolarHBondContact O-CD 3.47Å; P245-N247 VanDerWaalsContact CB-OD1 3.31Å; P245-N247 WeakPolarHBondContact CB-OD1 3.07Å; P245-N247 PolarHBondContact O-N 2.76Å; P245-N247 VanDerWaalsContact O-N 3.1Å; P245-R248 WeakPolarHBondContact O-CB 3.31Å; P245-R248 PolarHBondContact O-N 3.16Å
246A96.4Very high95.8Very high68 Ų6840.5 Ų40.556%0.56221%0.212SC*.THydrogen-bonded Turntrans-57-29.3-176.200000114.3R208 I244R208-A246 VanDerWaalsContact CZ-CA 3.46Å; R208-A246 VanDerWaalsContact CZ-CB 3.41Å; R208-A246 VanDerWaalsContact NH1-CA 3.28Å; I244-A246 PolarHBondContact O-N 2.86Å
247N95Very high95.2Very high105 Ų10539.4 Ų39.456%0.56121%0.212SC*.THydrogen-bonded Turntrans-93.214.9-178.665.4-28.1000113.2P245 Q249P245-N247 VanDerWaalsContact CB-OD1 3.31Å; P245-N247 WeakPolarHBondContact CB-OD1 3.07Å; P245-N247 PolarHBondContact O-N 2.76Å; P245-N247 VanDerWaalsContact O-N 3.1Å; N247-Q249 PolarHBondContact O-N 3.35Å
248R96Very high94.3Very high17 Ų1739.5 Ų39.56%0.06421%0.208CC..  trans-59.6136.9172.1-168.5175.9-176-164.110.7110.1L209 D214 L233 R236 I244 P245 H252L209-R248 PolarHBondContact O-NH1 2.92Å; D214-R248 IonicContact OD1-CZ 3.59Å; D214-R248 IonicContact OD1-NH1 3.54Å; D214-R248 PolarHBondContact OD1-NH1 3.4Å; D214-R248 IonicContact OD1-NH2 3.61Å; D214-R248 PolarHBondContact OD1-NH2 3.05Å; D214-R248 IonicContact OD2-CZ 2.95Å; D214-R248 IonicContact OD2-NH1 2.67Å; D214-R248 PolarHBondContact OD2-NH1 2.87Å; D214-R248 IonicContact OD2-NH2 2.68Å; D214-R248 PolarHBondContact OD2-NH2 3.39Å; L233-R248 HydrophobicContact CD2-CB 3.8Å; L233-R248 HydrophobicContact CD2-CG 3.86Å; R236-R248 PolarHBondContact O-NH2 2.75Å; I244-R248 HydrophobicContact CG2-CB 4.12Å; I244-R248 VanDerWaalsContact CG2-CD 3.47Å; I244-R248 HydrophobicContact CG2-CG 4.45Å; P245-R248 WeakPolarHBondContact O-CB 3.31Å; P245-R248 PolarHBondContact O-N 3.16Å; R248-H252 HydrophobicContact CG-CB 3.99Å
249Q93.1Very high93.7Very high104 Ų10440.5 Ų40.549%0.48621%0.212SC..  trans-126.6167.8-178.3-63.9178.214.800108.6N247 K251 H252 A253N247-Q249 PolarHBondContact O-N 3.35Å; Q249-K251 VanDerWaalsContact C-N 3.26Å; Q249-K251 HydrophobicContact CB-CG 4.27Å; Q249-K251 PolarHBondContact O-N 2.71Å; Q249-H252 PolarHBondContact N-ND1 3.11Å; Q249-H252 VanDerWaalsContact N-ND1 3.12Å; Q249-H252 WeakPolarHBondContact O-CB 3.48Å; Q249-H252 PolarHBondContact O-N 2.81Å; Q249-A253 PolarHBondContact O-N 2.58Å
250C92.2Very high93.2Very high12 Ų1241.2 Ų41.28%0.08122%0.217CC..G310 helixtrans-52.3-42.5179.1-67.40000113.1H252 A253 N254 I255 C260C250-H252 VanDerWaalsContact C-N 3.32Å; C250-H252 PolarHBondContact O-N 3.2Å; C250-A253 CarbonylContact O-C 3.49Å; C250-A253 PolarHBondContact O-N 3.33Å; C250-N254 PolarHBondContact O-N 3.16Å; C250-N254 VanDerWaalsContact O-N 3.12Å; C250-I255 HydrophobicContact CB-CB 3.98Å; C250-I255 HydrophobicContact CB-CD1 4.42Å; C250-I255 PolarHBondContact O-N 2.83Å; C250-C260 HydrophobicContact CB-CB 3.68Å; C250-C260 WeakPolarHBondContact CB-SG 3.43Å; C250-C260 VanDerWaalsContact SG-CA 3.57Å; C250-C260 WeakPolarHBondContact SG-CB 3.4Å; C250-C260 CovalentContact SG-SG 2.03Å; C250-C260 PolarHBondContact SG-SG 2.97Å
251K92.5Very high92.3Very high127 Ų12743 Ų4355%0.55223%0.228SC*.G310 helixtrans-60.2-36.3176.768.8-177.5-178.9-175.80114.1Q249 A253 N254Q249-K251 VanDerWaalsContact C-N 3.26Å; Q249-K251 HydrophobicContact CB-CG 4.27Å; Q249-K251 PolarHBondContact O-N 2.71Å; K251-A253 PolarHBondContact O-N 3.36Å; K251-N254 PolarHBondContact O-N 3Å
252H95.5Very high90.9Very high45 Ų4546.8 Ų46.821%0.20825%0.254CS..G310 helixtrans-72.9-21.1178-54.1138.6000111.9L233 R236 R248 Q249 C250L233-H252 HydrophobicContact CD2-CB 4.18Å; R236-H252 WeakPolarHBondContact CA-O 3.35Å; R248-H252 HydrophobicContact CG-CB 3.99Å; Q249-H252 PolarHBondContact N-ND1 3.11Å; Q249-H252 VanDerWaalsContact N-ND1 3.12Å; Q249-H252 WeakPolarHBondContact O-CB 3.48Å; Q249-H252 PolarHBondContact O-N 2.81Å; C250-H252 VanDerWaalsContact C-N 3.32Å; C250-H252 PolarHBondContact O-N 3.2Å
253A96.1Very high89.4Confident0 Ų048.5 Ų48.50%026%0.263CS..G310 helixtrans-101.87.2178.900000112.7L209 T211 Q249 C250 K251 I255L209-A253 HydrophobicContact CD2-CB 4.49Å; T211-A253 HydrophobicContact CG2-CB 4.02Å; Q249-A253 PolarHBondContact O-N 2.58Å; C250-A253 CarbonylContact O-C 3.49Å; C250-A253 PolarHBondContact O-N 3.33Å; K251-A253 PolarHBondContact O-N 3.36Å; A253-I255 HydrophobicContact CB-CD1 3.97Å; A253-I255 HydrophobicContact CB-CG1 3.85Å; A253-I255 PolarHBondContact O-N 2.95Å
254N94Very high87.7Confident94 Ų9449.7 Ų49.750%0.50327%0.27SS..THydrogen-bonded Turntrans50.936.9-174.1-74.771.1000113.4R236 C250 K251R236-N254 HydrophobicContact CB-CB 4.36Å; R236-N254 VanDerWaalsContact CB-OD1 3.31Å; R236-N254 WeakPolarHBondContact CB-OD1 3.34Å; C250-N254 PolarHBondContact O-N 3.16Å; C250-N254 VanDerWaalsContact O-N 3.12Å; K251-N254 PolarHBondContact O-N 3Å
255I92.4Very high86.1Confident9 Ų954.8 Ų54.85%0.04629%0.289CS..  trans-83122172.2-53.9173.3000107.4N21 L23 L209 T211 C250 A253 W259 C260N21-I255 HydrophobicContact CB-CD1 4.11Å; L23-I255 HydrophobicContact CD2-CG1 3.88Å; L209-I255 HydrophobicContact CD1-CD1 3.96Å; L209-I255 HydrophobicContact CD2-CD1 4.05Å; L209-I255 HydrophobicContact CG-CD1 4.3Å; T211-I255 HydrophobicContact CG2-CD1 3.66Å; T211-I255 HydrophobicContact CG2-CG1 3.88Å; C250-I255 HydrophobicContact CB-CB 3.98Å; C250-I255 HydrophobicContact CB-CD1 4.42Å; C250-I255 PolarHBondContact O-N 2.83Å; A253-I255 HydrophobicContact CB-CD1 3.97Å; A253-I255 HydrophobicContact CB-CG1 3.85Å; A253-I255 PolarHBondContact O-N 2.95Å; I255-W259 HydrophobicContact CG2-CB 3.81Å; I255-C260 HydrophobicContact CG2-CB 4.5Å
256E87.4Confident84.9Confident70 Ų7059.3 Ų59.333%0.32731%0.306SS..  trans-62145.1178.3-50.9165.1157.300110.1Q258 W259 C260E256-Q258 PolarHBondContact O-N 3.29Å; E256-Q258 PolarHBondContact OE2-NE2 3.49Å; E256-W259 PolarHBondContact O-N 3.46Å; E256-W259 PolarHBondContact OE2-NE1 3.38Å; E256-C260 PolarHBondContact O-N 2.86Å
257P83.1Confident84.1Confident37 Ų3763.3 Ų63.324%0.2431%0.31CS..G310 helixtrans-52.5-36.3-171-29.536.1000114.7W259 C260 E316 Y317P257-W259 VanDerWaalsContact C-N 3.26Å; P257-W259 PolarHBondContact O-N 2.74Å; P257-C260 WeakPolarHBondContact O-CB 3.45Å; P257-C260 PolarHBondContact O-N 2.84Å; P257-E316 HydrophobicContact CB-CB 4.44Å; P257-E316 HydrophobicContact CG-CB 4.17Å; P257-Y317 HydrophobicContact CB-CD2 4.42Å
258Q78.4Confident83.4Confident29 Ų2959.7 Ų59.714%0.13629%0.292CS..G310 helixtrans-68.3-20.5179.271.4-83.321.400114.6E256 Y317 F320E256-Q258 PolarHBondContact O-N 3.29Å; E256-Q258 PolarHBondContact OE2-NE2 3.49Å; Q258-Y317 HydrophobicContact CB-CD2 3.82Å; Q258-Y317 HydrophobicContact CB-CE2 3.51Å; Q258-F320 HydrophobicContact CG-CE1 4.42Å
259W87.3Confident82.9Confident23 Ų2361.5 Ų61.59%0.08731%0.31CS..G310 helixtrans-101-3.2176.9-54.1121.2000112.4N21 I22 L23 G24 D25 L179 I255 E256 P257 P261 F330N21-W259 PolarHBondContact ND2-O 3.03Å; I22-W259 HydrophobicContact CD1-CE3 3.8Å; I22-W259 HydrophobicContact CD1-CZ3 4.09Å; I22-W259 HydrophobicContact CG1-CE3 4.28Å; L23-W259 VanDerWaalsContact O-CD1 3.27Å; G24-W259 VanDerWaalsContact CA-CE2 3.48Å; D25-W259 HydrophobicContact CB-CH2 3.71Å; D25-W259 HydrophobicContact CB-CZ2 4.13Å; L179-W259 HydrophobicContact CD2-CE3 3.87Å; L179-W259 HydrophobicContact CD2-CZ3 4.38Å; I255-W259 HydrophobicContact CG2-CB 3.81Å; E256-W259 PolarHBondContact O-N 3.46Å; E256-W259 PolarHBondContact OE2-NE1 3.38Å; P257-W259 VanDerWaalsContact C-N 3.26Å; P257-W259 PolarHBondContact O-N 2.74Å; W259-P261 WeakPolarHBondContact O-CD 3.21Å; W259-F330 HydrophobicContact CH2-CE1 4.14Å; W259-F330 HydrophobicContact CH2-CZ 4.19Å; W259-F330 HydrophobicContact CZ3-CE1 4.03Å; W259-F330 HydrophobicContact CZ3-CZ 4.48Å
260C87.2Confident82.3Confident24 Ų2458.9 Ų58.916%0.16230%0.3CS..  trans-78.7119.8177-172.80000110.2C250 I255 E256 P257 C262C250-C260 HydrophobicContact CB-CB 3.68Å; C250-C260 WeakPolarHBondContact CB-SG 3.43Å; C250-C260 VanDerWaalsContact SG-CA 3.57Å; C250-C260 WeakPolarHBondContact SG-CB 3.4Å; C250-C260 CovalentContact SG-SG 2.03Å; C250-C260 PolarHBondContact SG-SG 2.97Å; I255-C260 HydrophobicContact CG2-CB 4.5Å; E256-C260 PolarHBondContact O-N 2.86Å; P257-C260 WeakPolarHBondContact O-CB 3.45Å; P257-C260 PolarHBondContact O-N 2.84Å; C260-C262 PolarHBondContact O-N 3.31Å
261P78.5Confident82Confident38 Ų3864.4 Ų64.425%0.24733%0.328CS..  trans-77.6-8.2-17632.7-36.9000112.7N21 L176 L179 W259 L263N21-P261 WeakPolarHBondContact OD1-CD 3.34Å; N21-P261 VanDerWaalsContact OD1-CG 3.28Å; N21-P261 WeakPolarHBondContact OD1-CG 3.45Å; L176-P261 HydrophobicContact CD2-CB 3.91Å; L176-P261 WeakPolarHBondContact CD2-O 3.44Å; L179-P261 HydrophobicContact CD1-CB 3.98Å; W259-P261 WeakPolarHBondContact O-CD 3.21Å; P261-L263 PolarHBondContact O-N 2.76Å
262C70.4Confident81.8Confident81 Ų8160.5 Ų60.555%0.54732%0.316SS..  trans-68.294-176-66.90000110.6C260 M264C260-C262 PolarHBondContact O-N 3.31Å; C262-M264 PolarHBondContact O-N 3.12Å
263L65.8Low81.5Confident43 Ų4364.5 Ų64.523%0.22534%0.343CS..  trans-60.8122.5165.2-62.6174.8000108.6L176 P261 W265 S311L176-L263 HydrophobicContact CD1-CD1 4.2Å; P261-L263 PolarHBondContact O-N 2.76Å; L263-W265 HydrophobicContact CD1-CZ2 4.22Å; L263-W265 PolarHBondContact O-N 3.1Å; L263-S311 WeakPolarHBondContact CD1-OG 3.41Å; L263-S311 WeakPolarHBondContact CD2-OG 3.07Å
264M62.7Low81.1Confident90 Ų9068.8 Ų68.844%0.44336%0.361SS..EExtended strand (participates in β ladder)trans-82.3115171.1-76.4-165.658.600108.4C262 K266 Q312 S314C262-M264 PolarHBondContact O-N 3.12Å; M264-K266 PolarHBondContact O-N 2.85Å; M264-Q312 HydrophobicContact CB-CG 4.27Å; M264-Q312 PolarHBondContact N-O 3.43Å; M264-Q312 WeakPolarHBondContact O-CG 3.48Å; M264-Q312 PolarHBondContact O-N 2.94Å; M264-S314 VanDerWaalsContact SD-CA 3.55Å; M264-S314 VanDerWaalsContact SD-CB 3.55Å
265W65.8Low80.8Confident107 Ų10764.3 Ų64.341%0.40534%0.337SS..EExtended strand (participates in β ladder)trans-86.1112.2175.5-62.491.8000109L263 Q309 V336 R338L263-W265 HydrophobicContact CD1-CZ2 4.22Å; L263-W265 PolarHBondContact O-N 3.1Å; W265-Q309 HydrophobicContact CB-CB 4.42Å; W265-Q309 HydrophobicContact CE3-CB 3.79Å; W265-V336 HydrophobicContact CH2-CB 4.38Å; W265-V336 HydrophobicContact CH2-CG1 4.38Å; W265-V336 WeakPolarHBondContact CZ3-O 3.39Å; W265-R338 HydrophobicContact CH2-CB 4.45Å; W265-R338 HydrophobicContact CZ3-CB 4.34Å
266K73.4Confident80.7Confident123 Ų12368.5 Ų68.554%0.53535%0.353SS..EExtended strand (participates in β ladder)trans-94.5119.9172.1-175.9175.4179.3179.20108.8M264 V268 Q309 L310 Q312M264-K266 PolarHBondContact O-N 2.85Å; K266-V268 PolarHBondContact O-N 3.24Å; K266-Q309 CarbonylContact O-C 3.45Å; K266-Q309 WeakPolarHBondContact O-CA 3.44Å; K266-L310 HydrophobicContact CB-CB 4.47Å; K266-L310 PolarHBondContact N-O 3.45Å; K266-L310 PolarHBondContact O-N 3.18Å; K266-Q312 HydrophobicContact CB-CG 4.28Å
267K78.3Confident81Confident152 Ų15271.7 Ų71.766%0.66136%0.363SS*.EExtended strand (participates in β ladder)trans-62.2131.9172.9-168.4170.1-173.6174.70109.7D307K267-D307 WeakPolarHBondContact CE-OD1 3.36Å
268V81.8Confident81.1Confident28 Ų2871.4 Ų71.417%0.1736%0.361CS..EExtended strand (participates in β ladder)trans-110.1143.8173.6-1770000107.3K266 N270 T272 V308 L310K266-V268 PolarHBondContact O-N 3.24Å; V268-N270 PolarHBondContact O-N 3.04Å; V268-T272 HydrophobicContact CG1-CG2 4.19Å; V268-V308 HydrophobicContact CB-CB 4.19Å; V268-V308 HydrophobicContact CB-CG1 4.02Å; V268-V308 HydrophobicContact CG2-CG1 4.42Å; V268-V308 PolarHBondContact N-O 3.32Å; V268-L310 HydrophobicContact CG2-CB 3.79Å
269A84.5Confident81.7Confident55 Ų5570.2 Ų70.246%0.45536%0.356SS..  trans-65.4134.4174.500000110.2D271 T272A269-D271 WeakPolarHBondContact CB-OD1 3.37Å; A269-D271 PolarHBondContact O-N 3.33Å; A269-T272 HydrophobicContact CB-CG2 3.98Å; A269-T272 VanDerWaalsContact O-CG2 3.29Å; A269-T272 WeakPolarHBondContact O-CG2 3.23Å; A269-T272 PolarHBondContact O-N 2.73Å; A269-T272 PolarHBondContact O-OG1 3.04Å
270N80.4Confident82.1Confident49 Ų4973.7 Ų73.726%0.26237%0.373SS..THydrogen-bonded Turntrans-69-21.6-169.2-63.2-8.1000113.7V268 A275 V305 V306 D307 V308V268-N270 PolarHBondContact O-N 3.04Å; N270-A275 WeakPolarHBondContact O-CB 3.28Å; N270-V305 HydrophobicContact CB-CB 4.42Å; N270-V305 HydrophobicContact CB-CG1 4.36Å; N270-V305 WeakPolarHBondContact CB-O 3.31Å; N270-V305 PolarHBondContact ND2-O 2.84Å; N270-V306 PolarHBondContact ND2-O 3Å; N270-D307 WeakPolarHBondContact OD1-CA 3.49Å; N270-V308 PolarHBondContact OD1-N 2.96Å
271D85.5Confident82.4Confident128 Ų12876.6 Ų76.668%0.68438%0.384SS*.THydrogen-bonded Turntrans-90.51-178.762.6-18.7000113.2A269A269-D271 WeakPolarHBondContact CB-OD1 3.37Å; A269-D271 PolarHBondContact O-N 3.33Å
272T89.3Confident83Confident46 Ų4677.2 Ų77.228%0.28239%0.385SS..SBendtrans-66145.5177.7590000111.5V268 A269 F274 A275 W276V268-T272 HydrophobicContact CG1-CG2 4.19Å; A269-T272 HydrophobicContact CB-CG2 3.98Å; A269-T272 VanDerWaalsContact O-CG2 3.29Å; A269-T272 WeakPolarHBondContact O-CG2 3.23Å; A269-T272 PolarHBondContact O-N 2.73Å; A269-T272 PolarHBondContact O-OG1 3.04Å; T272-F274 PolarHBondContact O-N 2.76Å; T272-F274 VanDerWaalsContact O-N 3.15Å; T272-A275 WeakPolarHBondContact O-CB 3.42Å; T272-A275 PolarHBondContact O-N 2.88Å; T272-A275 VanDerWaalsContact OG1-CB 3.25Å; T272-A275 WeakPolarHBondContact OG1-CB 3.06Å; T272-A275 PolarHBondContact OG1-N 3.48Å; T272-W276 PolarHBondContact O-N 2.84Å; T272-W276 VanDerWaalsContact O-N 3.11Å
273V90Very high84.1Confident129 Ų12974.4 Ų74.478%0.78237%0.365SS*.Hα-helixtrans-52.9-38.2173.8178.10000111.1Y277V273-Y277 WeakPolarHBondContact O-CB 3.41Å; V273-Y277 PolarHBondContact O-N 3.4Å
274F87.1Confident85.5Confident89 Ų8976.5 Ų76.539%0.3938%0.377SS..Hα-helixtrans-61.9-47.6175.2177.9-100.3000112.4T272 W276 Y277 V278 L310T272-F274 PolarHBondContact O-N 2.76Å; T272-F274 VanDerWaalsContact O-N 3.15Å; F274-W276 PolarHBondContact O-N 3.33Å; F274-Y277 PolarHBondContact O-N 3.42Å; F274-V278 HydrophobicContact CD1-CG2 4.5Å; F274-V278 HydrophobicContact CD2-CG2 4.14Å; F274-V278 HydrophobicContact CE1-CG2 4.15Å; F274-V278 HydrophobicContact CE2-CG2 3.77Å; F274-V278 HydrophobicContact CZ-CG2 3.78Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.48Å; F274-V278 PolarHBondContact O-N 3.19Å; F274-L310 HydrophobicContact CE1-CD1 3.77Å; F274-L310 HydrophobicContact CZ-CD1 4.01Å
275A87.4Confident87Confident0 Ų075.1 Ų75.10%038%0.38CS..Hα-helixtrans-57.6-49.1178.700000112N270 T272 G279 V305 V308N270-A275 WeakPolarHBondContact O-CB 3.28Å; T272-A275 WeakPolarHBondContact O-CB 3.42Å; T272-A275 PolarHBondContact O-N 2.88Å; T272-A275 VanDerWaalsContact OG1-CB 3.25Å; T272-A275 WeakPolarHBondContact OG1-CB 3.06Å; T272-A275 PolarHBondContact OG1-N 3.48Å; A275-G279 PolarHBondContact O-N 2.86Å; A275-V305 HydrophobicContact CB-CG1 4.38Å; A275-V308 HydrophobicContact CB-CB 4.28Å; A275-V308 HydrophobicContact CB-CG1 4.48Å; A275-V308 HydrophobicContact CB-CG2 3.6Å
276W90.5Very high88.2Confident98 Ų9875.5 Ų75.537%0.37138%0.384SS..Hα-helixtrans-64.2-47.6177.8-81.384.2000112.4T272 F274 V278 G279 E280 L302 Q303 V305T272-W276 PolarHBondContact O-N 2.84Å; T272-W276 VanDerWaalsContact O-N 3.11Å; F274-W276 PolarHBondContact O-N 3.33Å; W276-V278 VanDerWaalsContact C-N 3.35Å; W276-V278 PolarHBondContact O-N 3.35Å; W276-G279 PolarHBondContact O-N 2.69Å; W276-G279 VanDerWaalsContact O-N 3.15Å; W276-E280 WeakPolarHBondContact O-CG 3.28Å; W276-E280 PolarHBondContact O-N 3.06Å; W276-L302 HydrophobicContact CD2-CD2 4.36Å; W276-L302 HydrophobicContact CE3-CD2 3.61Å; W276-L302 HydrophobicContact CE3-CG 4.29Å; W276-L302 HydrophobicContact CZ3-CD2 4.01Å; W276-L302 HydrophobicContact CZ3-CG 4.17Å; W276-Q303 WeakPolarHBondContact CH2-O 2.89Å; W276-V305 HydrophobicContact CD2-CG2 4.33Å; W276-V305 HydrophobicContact CG-CG2 4.43Å
277Y92.6Very high89.3Confident136 Ų13671.4 Ų71.453%0.53337%0.369SS..Hα-helixtrans-56.2-48.2178.5175.9-100.7000111.8V273 F274 E280 Q281V273-Y277 WeakPolarHBondContact O-CB 3.41Å; V273-Y277 PolarHBondContact O-N 3.4Å; F274-Y277 PolarHBondContact O-N 3.42Å; Y277-E280 PolarHBondContact O-N 3.01Å; Y277-Q281 HydrophobicContact CD1-CG 4.34Å; Y277-Q281 HydrophobicContact CE1-CG 3.91Å; Y277-Q281 HydrophobicContact CE2-CG 4.22Å; Y277-Q281 WeakPolarHBondContact O-CG 3.45Å; Y277-Q281 PolarHBondContact O-N 3.23Å
278V87Confident90.1Very high32 Ų3272 Ų7219%0.19437%0.371CS..Hα-helixtrans-67.7-39.1179.4-172.90000111.1F274 W276 E280 Q281 I282 Y339F274-V278 HydrophobicContact CD1-CG2 4.5Å; F274-V278 HydrophobicContact CD2-CG2 4.14Å; F274-V278 HydrophobicContact CE1-CG2 4.15Å; F274-V278 HydrophobicContact CE2-CG2 3.77Å; F274-V278 HydrophobicContact CZ-CG2 3.78Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.48Å; F274-V278 PolarHBondContact O-N 3.19Å; W276-V278 VanDerWaalsContact C-N 3.35Å; W276-V278 PolarHBondContact O-N 3.35Å; V278-E280 VanDerWaalsContact C-N 3.32Å; V278-E280 PolarHBondContact O-N 3.01Å; V278-Q281 PolarHBondContact O-N 2.66Å; V278-I282 HydrophobicContact CG1-CD1 4.02Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 2.81Å; V278-Y339 VanDerWaalsContact CB-OH 3.31Å; V278-Y339 WeakPolarHBondContact CB-OH 3.36Å; V278-Y339 HydrophobicContact CG1-CE2 4.43Å; V278-Y339 WeakPolarHBondContact CG1-OH 3.49Å
279G90.7Very high90.6Very high4 Ų480.8 Ų80.84%0.04140%0.401CS..Hα-helixtrans-55.7-45.6173.100000112.4A275 W276 I282 V283A275-G279 PolarHBondContact O-N 2.86Å; W276-G279 PolarHBondContact O-N 2.69Å; W276-G279 VanDerWaalsContact O-N 3.15Å; G279-I282 PolarHBondContact O-N 2.85Å; G279-V283 WeakPolarHBondContact O-CG2 3.48Å; G279-V283 PolarHBondContact O-N 2.97Å
280E94.7Very high90.9Very high95 Ų9581 Ų8144%0.44439%0.394SS..Hα-helixtrans-65-43.7177.5-72.8-174.6150.900112.1W276 Y277 V278 I282 V283 N284 L302W276-E280 WeakPolarHBondContact O-CG 3.28Å; W276-E280 PolarHBondContact O-N 3.06Å; Y277-E280 PolarHBondContact O-N 3.01Å; V278-E280 VanDerWaalsContact C-N 3.32Å; V278-E280 PolarHBondContact O-N 3.01Å; E280-I282 PolarHBondContact O-N 3.26Å; E280-V283 PolarHBondContact O-N 3.03Å; E280-N284 WeakPolarHBondContact O-CB 3.32Å; E280-N284 PolarHBondContact O-N 3.4Å; E280-N284 PolarHBondContact O-ND2 3.48Å; E280-L302 HydrophobicContact CG-CB 4.43Å; E280-L302 HydrophobicContact CG-CD2 3.85Å
281Q94.6Very high91.4Very high86 Ų8684.9 Ų84.940%0.40241%0.411SS..Hα-helixtrans-60.1-34.4176.9-67.6-48.5-57.300112Y277 V278 A285Y277-Q281 HydrophobicContact CD1-CG 4.34Å; Y277-Q281 HydrophobicContact CE1-CG 3.91Å; Y277-Q281 HydrophobicContact CE2-CG 4.22Å; Y277-Q281 WeakPolarHBondContact O-CG 3.45Å; Y277-Q281 PolarHBondContact O-N 3.23Å; V278-Q281 PolarHBondContact O-N 2.66Å; Q281-A285 WeakPolarHBondContact O-CB 3.43Å; Q281-A285 PolarHBondContact O-N 2.71Å
282I89.8Confident91.6Very high51 Ų5187.3 Ų87.326%0.26242%0.416SS..Hα-helixtrans-71.5-46.6176.7-71.6168.4000111.3V278 G279 E280 N284 A285 F286 Y339V278-I282 HydrophobicContact CG1-CD1 4.02Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 2.81Å; G279-I282 PolarHBondContact O-N 2.85Å; E280-I282 PolarHBondContact O-N 3.26Å; I282-N284 PolarHBondContact O-N 2.79Å; I282-A285 WeakPolarHBondContact O-CB 3.35Å; I282-A285 PolarHBondContact O-N 3.17Å; I282-A285 VanDerWaalsContact O-N 3.11Å; I282-F286 HydrophobicContact CG2-CD2 3.69Å; I282-F286 HydrophobicContact CG2-CE2 3.39Å; I282-F286 HydrophobicContact CG2-CZ 4.36Å; I282-F286 WeakPolarHBondContact O-CD2 3.08Å; I282-F286 PolarHBondContact O-N 2.65Å; I282-Y339 HydrophobicContact CD1-CD2 3.42Å; I282-Y339 VanDerWaalsContact CD1-CD2 3.42Å; I282-Y339 HydrophobicContact CD1-CE1 4.31Å; I282-Y339 HydrophobicContact CD1-CE2 2.93Å; I282-Y339 HydrophobicContact CD1-CG 4.29Å; I282-Y339 VanDerWaalsContact CD1-CZ 3.46Å; I282-Y339 HydrophobicContact CG1-CE2 4.44Å
283V95Very high91.7Very high22 Ų2289.5 Ų89.513%0.13342%0.423CS..Hα-helixtrans-57.1-42.7174.4169.90000110.5G279 E280 A285 F286 N287 L300 L302G279-V283 WeakPolarHBondContact O-CG2 3.48Å; G279-V283 PolarHBondContact O-N 2.97Å; E280-V283 PolarHBondContact O-N 3.03Å; V283-A285 PolarHBondContact O-N 3.31Å; V283-F286 PolarHBondContact O-N 3.07Å; V283-N287 WeakPolarHBondContact O-CB 3.36Å; V283-N287 PolarHBondContact O-N 2.76Å; V283-N287 PolarHBondContact O-ND2 2.86Å; V283-L300 HydrophobicContact CG1-CB 3.94Å; V283-L300 VanDerWaalsContact CG1-O 3.22Å; V283-L300 WeakPolarHBondContact CG1-O 3.21Å; V283-L302 HydrophobicContact CG2-CB 4.12Å; V283-L302 HydrophobicContact CG2-CD1 4.29Å
284N95.2Very high91.6Very high86 Ų8687.6 Ų87.646%0.4642%0.415SS..Hα-helixtrans-62-42.2175.4-70.9-23.1000112.3E280 I282 N287 K288E280-N284 WeakPolarHBondContact O-CB 3.32Å; E280-N284 PolarHBondContact O-N 3.4Å; E280-N284 PolarHBondContact O-ND2 3.48Å; I282-N284 PolarHBondContact O-N 2.79Å; N284-N287 PolarHBondContact O-N 2.93Å; N284-K288 WeakPolarHBondContact O-CB 3.37Å; N284-K288 PolarHBondContact O-N 3.2Å
285A94Very high91.8Very high62 Ų6289.4 Ų89.451%0.51243%0.429SS..Hα-helixtrans-64.8-39.217600000112.3Q281 I282 V283 R289Q281-A285 WeakPolarHBondContact O-CB 3.43Å; Q281-A285 PolarHBondContact O-N 2.71Å; I282-A285 WeakPolarHBondContact O-CB 3.35Å; I282-A285 PolarHBondContact O-N 3.17Å; I282-A285 VanDerWaalsContact O-N 3.11Å; V283-A285 PolarHBondContact O-N 3.31Å; A285-R289 PolarHBondContact O-N 3.32Å; A285-R289 VanDerWaalsContact O-N 3.14Å
286F91.5Very high92.1Very high114 Ų11495.8 Ų95.850%0.546%0.462SS..Hα-helixtrans-63.5-49.7173.3-77.6-54000111.5I282 V283 K288 R289 L290 L300I282-F286 HydrophobicContact CG2-CD2 3.69Å; I282-F286 HydrophobicContact CG2-CE2 3.39Å; I282-F286 HydrophobicContact CG2-CZ 4.36Å; I282-F286 WeakPolarHBondContact O-CD2 3.08Å; I282-F286 PolarHBondContact O-N 2.65Å; V283-F286 PolarHBondContact O-N 3.07Å; F286-K288 VanDerWaalsContact C-N 3.3Å; F286-K288 PolarHBondContact O-N 3.33Å; F286-R289 CarbonylContact O-C 3.42Å; F286-R289 WeakPolarHBondContact O-CA 3.42Å; F286-R289 PolarHBondContact O-N 3.26Å; F286-L290 WeakPolarHBondContact O-CB 3.15Å; F286-L290 WeakPolarHBondContact O-CG 2.85Å; F286-L290 PolarHBondContact O-N 3.27Å; F286-L300 HydrophobicContact CB-CD1 4.17Å
287N95.8Very high92.1Very high38 Ų3893.5 Ų93.520%0.20346%0.46CS..Hα-helixtrans-56.7-44.1177.7-74.9-22.8000111.8V283 N284 R289 L290 E291 L300V283-N287 WeakPolarHBondContact O-CB 3.36Å; V283-N287 PolarHBondContact O-N 2.76Å; V283-N287 PolarHBondContact O-ND2 2.86Å; N284-N287 PolarHBondContact O-N 2.93Å; N287-R289 VanDerWaalsContact C-N 3.26Å; N287-R289 PolarHBondContact O-N 3.46Å; N287-L290 CarbonylContact O-C 3.47Å; N287-L290 PolarHBondContact O-N 2.94Å; N287-E291 PolarHBondContact O-N 3.21Å; N287-L300 PolarHBondContact ND2-O 3.04Å; N287-L300 WeakPolarHBondContact OD1-CB 2.93Å; N287-L300 PolarHBondContact OD1-N 3.29Å
288K95.1Very high92.1Very high163 Ų16390.7 Ų90.771%0.70947%0.466SS*.Hα-helixtrans-60.7-33.8175.3-172.6172.6-176172.20113N284 F286N284-K288 WeakPolarHBondContact O-CB 3.37Å; N284-K288 PolarHBondContact O-N 3.2Å; F286-K288 VanDerWaalsContact C-N 3.3Å; F286-K288 PolarHBondContact O-N 3.33Å
289R91.5Very high92.4Very high213 Ų21394.7 Ų94.780%0.80449%0.492SS*.Hα-helixtrans-79.3-33.1177.6-164.3167.1179.390.3-1112.3A285 F286 N287 E291A285-R289 PolarHBondContact O-N 3.32Å; A285-R289 VanDerWaalsContact O-N 3.14Å; F286-R289 CarbonylContact O-C 3.42Å; F286-R289 WeakPolarHBondContact O-CA 3.42Å; F286-R289 PolarHBondContact O-N 3.26Å; N287-R289 VanDerWaalsContact C-N 3.26Å; N287-R289 PolarHBondContact O-N 3.46Å; R289-E291 VanDerWaalsContact C-N 3.35Å
290L91.4Very high92.6Very high59 Ų5998.7 Ų98.731%0.30951%0.512SS..Hα-helixtrans-81.4-11.5178.1-67.8173.4000113.4F286 N287 K292 Q293 S294 L300F286-L290 WeakPolarHBondContact O-CB 3.15Å; F286-L290 WeakPolarHBondContact O-CG 2.85Å; F286-L290 PolarHBondContact O-N 3.27Å; N287-L290 CarbonylContact O-C 3.47Å; N287-L290 PolarHBondContact O-N 2.94Å; L290-K292 PolarHBondContact O-N 2.97Å; L290-K292 VanDerWaalsContact O-N 3.08Å; L290-Q293 CarbonylContact O-C 3.51Å; L290-Q293 WeakPolarHBondContact O-CA 3.37Å; L290-Q293 PolarHBondContact O-N 3.11Å; L290-S294 PolarHBondContact O-N 3.15Å; L290-L300 HydrophobicContact CD1-CD1 4.13Å
291E90.2Very high92.6Very high131 Ų13199.2 Ų99.261%0.61253%0.526SS*.G310 helixtrans-50.4-37.9-179.5-170.4175.9-164.300113.1N287 R289 Q293 S294N287-E291 PolarHBondContact O-N 3.21Å; R289-E291 VanDerWaalsContact C-N 3.35Å; E291-Q293 PolarHBondContact O-N 3.42Å; E291-S294 VanDerWaalsContact O-CB 3.29Å; E291-S294 WeakPolarHBondContact O-CB 3.29Å; E291-S294 PolarHBondContact O-N 2.91Å; E291-S294 PolarHBondContact O-OG 3.48Å
292K90.3Very high92.5Very high180 Ų18097.2 Ų97.278%0.78352%0.518SS*.G310 helixtrans-65.4-19.1176.5-65.2-174.1173.2-175.80114.3L290L290-K292 PolarHBondContact O-N 2.97Å; L290-K292 VanDerWaalsContact O-N 3.08Å
293Q91.6Very high92.5Very high92 Ų92103.1 Ų103.143%0.4355%0.545SS..G310 helixtrans-117.126.5-179.4-48.9-49.9-39.700110.8L290 E291 N295 L296 C297L290-Q293 CarbonylContact O-C 3.51Å; L290-Q293 WeakPolarHBondContact O-CA 3.37Å; L290-Q293 PolarHBondContact O-N 3.11Å; E291-Q293 PolarHBondContact O-N 3.42Å; Q293-N295 PolarHBondContact O-N 3Å; Q293-N295 VanDerWaalsContact O-N 3.11Å; Q293-L296 CarbonylContact O-C 3.59Å; Q293-L296 WeakPolarHBondContact O-CA 3.4Å; Q293-L296 PolarHBondContact O-N 3.01Å; Q293-C297 PolarHBondContact O-N 3.15Å
294S86.8Confident92.2Very high89 Ų89105 Ų10562%0.62256%0.559SS**THydrogen-bonded Turntrans-59.5-20.5-178.445.90000114.1L290 E291 L296L290-S294 PolarHBondContact O-N 3.15Å; E291-S294 VanDerWaalsContact O-CB 3.29Å; E291-S294 WeakPolarHBondContact O-CB 3.29Å; E291-S294 PolarHBondContact O-N 2.91Å; E291-S294 PolarHBondContact O-OG 3.48Å; S294-L296 VanDerWaalsContact C-N 3.33Å
295N92.7Very high91.7Very high127 Ų127101.8 Ų101.868%0.67954%0.542SS*.THydrogen-bonded Turntrans-75.7-18.3171.563.7-42.8000113.8Q293Q293-N295 PolarHBondContact O-N 3Å; Q293-N295 VanDerWaalsContact O-N 3.11Å
296L93.1Very high91Very high134 Ų134102.7 Ų102.770%0.70254%0.541SS*.THydrogen-bonded Turntrans-111.2-23.1179.9-60.4175.8000112.4Q293 S294Q293-L296 CarbonylContact O-C 3.59Å; Q293-L296 WeakPolarHBondContact O-CA 3.4Å; Q293-L296 PolarHBondContact O-N 3.01Å; S294-L296 VanDerWaalsContact C-N 3.33Å
297C91.7Very high90.3Very high49 Ų4999 Ų9933%0.33153%0.527SS..  trans-126.5127.5-173-59.50000111Q293Q293-C297 PolarHBondContact O-N 3.15Å
298A91.7Very high89.5Confident78 Ų7897.2 Ų97.265%0.64552%0.517SS*.PPolyproline II helixtrans-73.6151.7169.700000111L300A298-L300 PolarHBondContact O-N 3.43Å
299P93.1Very high88.4Confident116 Ų11692.5 Ų92.575%0.75350%0.497SS*.PPolyproline II helixtrans-58.7132.6170.7-20.932.3000111
300L94.1Very high87.5Confident88 Ų8884 Ų8446%0.46147%0.468SS..PPolyproline II helixtrans-81148.1175.9-56.9178.5000110.3V283 F286 N287 L290 A298V283-L300 HydrophobicContact CG1-CB 3.94Å; V283-L300 VanDerWaalsContact CG1-O 3.22Å; V283-L300 WeakPolarHBondContact CG1-O 3.21Å; F286-L300 HydrophobicContact CB-CD1 4.17Å; N287-L300 PolarHBondContact ND2-O 3.04Å; N287-L300 WeakPolarHBondContact OD1-CB 2.93Å; N287-L300 PolarHBondContact OD1-N 3.29Å; L290-L300 HydrophobicContact CD1-CD1 4.13Å; A298-L300 PolarHBondContact O-N 3.43Å
301S95.1Very high86.3Confident106 Ų10681.4 Ų81.474%0.74146%0.455SS*.  trans-129.2148.8170.4570000109.8Q303S301-Q303 PolarHBondContact O-N 3.36Å
302L92.8Very high85.1Confident44 Ų4477.3 Ų77.323%0.2344%0.435CS..  trans-78.1114.1177.8-175.767.2000109.4W276 E280 V283 V305W276-L302 HydrophobicContact CD2-CD2 4.36Å; W276-L302 HydrophobicContact CE3-CD2 3.61Å; W276-L302 HydrophobicContact CE3-CG 4.29Å; W276-L302 HydrophobicContact CZ3-CD2 4.01Å; W276-L302 HydrophobicContact CZ3-CG 4.17Å; E280-L302 HydrophobicContact CG-CB 4.43Å; E280-L302 HydrophobicContact CG-CD2 3.85Å; V283-L302 HydrophobicContact CG2-CB 4.12Å; V283-L302 HydrophobicContact CG2-CD1 4.29Å; L302-V305 HydrophobicContact CD1-CG2 4.45Å; L302-V305 HydrophobicContact CD2-CG2 4.22Å
303Q90.7Very high83.9Confident175 Ų17569.8 Ų69.882%0.81840%0.403SS*.  trans-87.5-47.7177.9-176.8-179.77.400112.2W276 S301W276-Q303 WeakPolarHBondContact CH2-O 2.89Å; S301-Q303 PolarHBondContact O-N 3.36Å
304S88.3Confident82.7Confident61 Ų6166 Ų6643%0.42739%0.387SS..  trans-159165.6-178.969.50000110.3
305V84.1Confident81.8Confident18 Ų1866.3 Ų66.311%0.10938%0.382CS..  trans-113.8114.9175-176.30000108.4N270 A275 W276 L302 V308N270-V305 HydrophobicContact CB-CB 4.42Å; N270-V305 HydrophobicContact CB-CG1 4.36Å; N270-V305 WeakPolarHBondContact CB-O 3.31Å; N270-V305 PolarHBondContact ND2-O 2.84Å; A275-V305 HydrophobicContact CB-CG1 4.38Å; W276-V305 HydrophobicContact CD2-CG2 4.33Å; W276-V305 HydrophobicContact CG-CG2 4.43Å; L302-V305 HydrophobicContact CD1-CG2 4.45Å; L302-V305 HydrophobicContact CD2-CG2 4.22Å; V305-V308 HydrophobicContact CG1-CG2 3.21Å
306V79.7Confident80.6Confident82 Ų8265.6 Ų65.650%0.49737%0.374SS..  trans-84.9-35.3-173.5-179.30000112.6N270 T341N270-V306 PolarHBondContact ND2-O 3Å; V306-T341 WeakPolarHBondContact CG2-OXT 3.3Å
307D76.5Confident79.2Confident36 Ų3660.1 Ų60.119%0.19334%0.344CS..  trans-156.9141.6175.2-170.352.7000109.6K267 N270 Q309K267-D307 WeakPolarHBondContact CE-OD1 3.36Å; N270-D307 WeakPolarHBondContact OD1-CA 3.49Å; D307-Q309 WeakPolarHBondContact OD2-CG 3.32Å; D307-Q309 PolarHBondContact OD2-NE2 2.87Å
308V79.2Confident77.8Confident1 Ų160.9 Ų60.91%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-132.1129.9169.1-177.70000109.6V268 N270 A275 V305 Y339V268-V308 HydrophobicContact CB-CB 4.19Å; V268-V308 HydrophobicContact CB-CG1 4.02Å; V268-V308 HydrophobicContact CG2-CG1 4.42Å; V268-V308 PolarHBondContact N-O 3.32Å; N270-V308 PolarHBondContact OD1-N 2.96Å; A275-V308 HydrophobicContact CB-CB 4.28Å; A275-V308 HydrophobicContact CB-CG1 4.48Å; A275-V308 HydrophobicContact CB-CG2 3.6Å; V305-V308 HydrophobicContact CG1-CG2 3.21Å; V308-Y339 HydrophobicContact CG2-CE1 4.25Å
309Q71.4Confident76.6Confident63 Ų6363 Ų6329%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-126.8131.4174.2-58.7-179.820.500109.2W265 K266 D307W265-Q309 HydrophobicContact CB-CB 4.42Å; W265-Q309 HydrophobicContact CE3-CB 3.79Å; K266-Q309 CarbonylContact O-C 3.45Å; K266-Q309 WeakPolarHBondContact O-CA 3.44Å; D307-Q309 WeakPolarHBondContact OD2-CG 3.32Å; D307-Q309 PolarHBondContact OD2-NE2 2.87Å
310L73.1Confident75.2Confident35 Ų3560.8 Ų60.818%0.18332%0.319CS..EExtended strand (participates in β ladder)trans-90.9112.1173.8-160.9105.8000107.9K266 V268 F274 Q312 F335K266-L310 HydrophobicContact CB-CB 4.47Å; K266-L310 PolarHBondContact N-O 3.45Å; K266-L310 PolarHBondContact O-N 3.18Å; V268-L310 HydrophobicContact CG2-CB 3.79Å; F274-L310 HydrophobicContact CE1-CD1 3.77Å; F274-L310 HydrophobicContact CZ-CD1 4.01Å; L310-Q312 HydrophobicContact CD2-CB 4.19Å; L310-Q312 PolarHBondContact O-N 3.27Å; L310-F335 HydrophobicContact CD1-CD1 3.61Å; L310-F335 HydrophobicContact CD1-CE1 3.84Å; L310-F335 HydrophobicContact CD2-CD1 4.41Å; L310-F335 HydrophobicContact CD2-CE1 4.23Å; L310-F335 HydrophobicContact CG-CD1 4.03Å; L310-F335 HydrophobicContact CG-CE1 4.31Å
311S66.8Low73.6Confident5 Ų559.2 Ų59.24%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-67111.9162.9178.70000108.7L263 V336L263-S311 WeakPolarHBondContact CD1-OG 3.41Å; L263-S311 WeakPolarHBondContact CD2-OG 3.07Å; S311-V336 VanDerWaalsContact CB-O 3.23Å; S311-V336 WeakPolarHBondContact CB-O 3.46Å; S311-V336 PolarHBondContact N-O 3.28Å
312Q65.1Low72.2Confident44 Ų4461.5 Ų61.521%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-117.9157.4170.856.4172.463.200110.5M264 K266 L310M264-Q312 HydrophobicContact CB-CG 4.27Å; M264-Q312 PolarHBondContact N-O 3.43Å; M264-Q312 WeakPolarHBondContact O-CG 3.48Å; M264-Q312 PolarHBondContact O-N 2.94Å; K266-Q312 HydrophobicContact CB-CG 4.28Å; L310-Q312 HydrophobicContact CD2-CB 4.19Å; L310-Q312 PolarHBondContact O-N 3.27Å
313Q64.4Low70.9Confident23 Ų2363.8 Ų63.811%0.10733%0.332CS..  trans-65.8155.9165.4-62.6-63.7-34.800109.6Y317Q313-Y317 HydrophobicContact CB-CD1 3.24Å; Q313-Y317 HydrophobicContact CB-CE1 3.9Å; Q313-Y317 HydrophobicContact CB-CG 3.85Å; Q313-Y317 HydrophobicContact CG-CD1 3.5Å; Q313-Y317 VanDerWaalsContact CG-CD1 3.5Å; Q313-Y317 HydrophobicContact CG-CE1 3.6Å; Q313-Y317 HydrophobicContact CG-CG 4.24Å
314S66Low69.1Low13 Ų1357.6 Ų57.69%0.09131%0.307CS..  trans-63.2154.6177710000111M264 E316 Y317 I318M264-S314 VanDerWaalsContact SD-CA 3.55Å; M264-S314 VanDerWaalsContact SD-CB 3.55Å; S314-E316 PolarHBondContact O-N 2.88Å; S314-E316 PolarHBondContact OG-OE2 3.26Å; S314-Y317 WeakPolarHBondContact O-CB 3.38Å; S314-Y317 PolarHBondContact O-N 3Å; S314-Y317 PolarHBondContact OG-N 3.24Å; S314-I318 PolarHBondContact O-N 3.37Å
315N68.3Low66.9Low95 Ų9559.8 Ų59.851%0.50833%0.328SS..Hα-helixtrans-56.6-36.5174.4-70.6-6000110.7Y317 I318 E319N315-Y317 VanDerWaalsContact C-N 3.3Å; N315-Y317 PolarHBondContact O-N 2.86Å; N315-I318 PolarHBondContact O-N 3.45Å; N315-I318 VanDerWaalsContact O-N 3.12Å; N315-E319 WeakPolarHBondContact O-CB 3.25Å; N315-E319 WeakPolarHBondContact O-CG 3.2Å; N315-E319 PolarHBondContact O-N 3.47Å
316E67.4Low64.9Low111 Ų11166 Ų6652%0.51935%0.351SS..Hα-helixtrans-60.6-37.9175.9-58.3141.5158.200111.9P257 S314 F320P257-E316 HydrophobicContact CB-CB 4.44Å; P257-E316 HydrophobicContact CG-CB 4.17Å; S314-E316 PolarHBondContact O-N 2.88Å; S314-E316 PolarHBondContact OG-OE2 3.26Å; E316-F320 VanDerWaalsContact O-CB 3.23Å; E316-F320 WeakPolarHBondContact O-CB 3.34Å; E316-F320 PolarHBondContact O-N 2.97Å
317Y64Low62.7Low20 Ų2068.7 Ų68.78%0.07837%0.367CS..Hα-helixtrans-68.8-42173.5174.1-91.6000111.9P257 Q258 Q313 S314 N315 F320 V321 F330P257-Y317 HydrophobicContact CB-CD2 4.42Å; Q258-Y317 HydrophobicContact CB-CD2 3.82Å; Q258-Y317 HydrophobicContact CB-CE2 3.51Å; Q313-Y317 HydrophobicContact CB-CD1 3.24Å; Q313-Y317 HydrophobicContact CB-CE1 3.9Å; Q313-Y317 HydrophobicContact CB-CG 3.85Å; Q313-Y317 HydrophobicContact CG-CD1 3.5Å; Q313-Y317 VanDerWaalsContact CG-CD1 3.5Å; Q313-Y317 HydrophobicContact CG-CE1 3.6Å; Q313-Y317 HydrophobicContact CG-CG 4.24Å; S314-Y317 WeakPolarHBondContact O-CB 3.38Å; S314-Y317 PolarHBondContact O-N 3Å; S314-Y317 PolarHBondContact OG-N 3.24Å; N315-Y317 VanDerWaalsContact C-N 3.3Å; N315-Y317 PolarHBondContact O-N 2.86Å; Y317-F320 WeakPolarHBondContact O-CB 3.33Å; Y317-F320 PolarHBondContact O-N 3.14Å; Y317-V321 HydrophobicContact CD1-CG2 4.06Å; Y317-V321 HydrophobicContact CD2-CG2 4.32Å; Y317-V321 HydrophobicContact CE1-CG2 3.58Å; Y317-V321 HydrophobicContact CE2-CG2 3.84Å; Y317-V321 HydrophobicContact CG-CG2 4.45Å; Y317-V321 VanDerWaalsContact CZ-CG2 3.47Å; Y317-V321 WeakPolarHBondContact O-CG2 3.35Å; Y317-V321 PolarHBondContact O-N 3.11Å; Y317-F330 PolarHBondContact OH-O 2.89Å; Y317-F330 VanDerWaalsContact OH-O 3.08Å
318I62.8Low60.6Low65 Ų6575.5 Ų75.533%0.33339%0.39SS..Hα-helixtrans-62.1-48.2178.6-64.4171.2000109.7S314 N315 F320 V321 E322S314-I318 PolarHBondContact O-N 3.37Å; N315-I318 PolarHBondContact O-N 3.45Å; N315-I318 VanDerWaalsContact O-N 3.12Å; I318-F320 VanDerWaalsContact C-N 3.32Å; I318-F320 PolarHBondContact O-N 2.94Å; I318-V321 PolarHBondContact O-N 3.25Å; I318-E322 HydrophobicContact CG2-CG 4.42Å; I318-E322 WeakPolarHBondContact O-CB 3.46Å; I318-E322 WeakPolarHBondContact O-CG 3.43Å; I318-E322 PolarHBondContact O-N 3.42Å
319E66Low58.6Low123 Ų12379.5 Ų79.558%0.57543%0.431SS*.Hα-helixtrans-59.9-40.4174.5-71.9171.1-170.100112N315 E322 S323N315-E319 WeakPolarHBondContact O-CB 3.25Å; N315-E319 WeakPolarHBondContact O-CG 3.2Å; N315-E319 PolarHBondContact O-N 3.47Å; E319-E322 PolarHBondContact O-N 3.34Å; E319-S323 VanDerWaalsContact O-CB 3.3Å; E319-S323 WeakPolarHBondContact O-CB 3.5Å; E319-S323 PolarHBondContact O-N 2.85Å; E319-S323 PolarHBondContact O-OG 2.98Å
320F63.3Low57Low68 Ų6880.8 Ų80.830%0.29844%0.436SS..Hα-helixtrans-61.5-45.7174.5175.7-96.9000112.1Q258 E316 Y317 I318 E322 S323 T324Q258-F320 HydrophobicContact CG-CE1 4.42Å; E316-F320 VanDerWaalsContact O-CB 3.23Å; E316-F320 WeakPolarHBondContact O-CB 3.34Å; E316-F320 PolarHBondContact O-N 2.97Å; Y317-F320 WeakPolarHBondContact O-CB 3.33Å; Y317-F320 PolarHBondContact O-N 3.14Å; I318-F320 VanDerWaalsContact C-N 3.32Å; I318-F320 PolarHBondContact O-N 2.94Å; F320-E322 VanDerWaalsContact C-N 3.35Å; F320-S323 WeakPolarHBondContact CA-OG 3.45Å; F320-S323 PolarHBondContact O-N 3.37Å; F320-S323 PolarHBondContact O-OG 3.41Å; F320-T324 HydrophobicContact CD2-CG2 4.25Å; F320-T324 HydrophobicContact CE1-CG2 4.46Å; F320-T324 HydrophobicContact CE2-CG2 3.86Å; F320-T324 HydrophobicContact CZ-CG2 3.98Å; F320-T324 WeakPolarHBondContact O-CB 3.49Å; F320-T324 WeakPolarHBondContact O-CG2 3.49Å; F320-T324 PolarHBondContact O-N 2.79Å; F320-T324 PolarHBondContact O-OG1 2.84Å
321V59.8Low55.3Low56 Ų5680.8 Ų80.834%0.33944%0.436SS..Hα-helixtrans-69.4-32.5177.7172.90000112Y317 I318Y317-V321 HydrophobicContact CD1-CG2 4.06Å; Y317-V321 HydrophobicContact CD2-CG2 4.32Å; Y317-V321 HydrophobicContact CE1-CG2 3.58Å; Y317-V321 HydrophobicContact CE2-CG2 3.84Å; Y317-V321 HydrophobicContact CG-CG2 4.45Å; Y317-V321 VanDerWaalsContact CZ-CG2 3.47Å; Y317-V321 WeakPolarHBondContact O-CG2 3.35Å; Y317-V321 PolarHBondContact O-N 3.11Å; I318-V321 PolarHBondContact O-N 3.25Å
322E66.4Low53.7Low154 Ų15485.1 Ų85.172%0.7247%0.466SS*.Hα-helixtrans-74-35.1176.8-74.2177.3176.300112I318 E319 F320I318-E322 HydrophobicContact CG2-CG 4.42Å; I318-E322 WeakPolarHBondContact O-CB 3.46Å; I318-E322 WeakPolarHBondContact O-CG 3.43Å; I318-E322 PolarHBondContact O-N 3.42Å; E319-E322 PolarHBondContact O-N 3.34Å; F320-E322 VanDerWaalsContact C-N 3.35Å
323S64.5Low52.2Low92 Ų9293 Ų9364%0.64350%0.495SS*.Hα-helixtrans-77.5-32.2177.163.60000113.4E319 F320E319-S323 VanDerWaalsContact O-CB 3.3Å; E319-S323 WeakPolarHBondContact O-CB 3.5Å; E319-S323 PolarHBondContact O-N 2.85Å; E319-S323 PolarHBondContact O-OG 2.98Å; F320-S323 WeakPolarHBondContact CA-OG 3.45Å; F320-S323 PolarHBondContact O-N 3.37Å; F320-S323 PolarHBondContact O-OG 3.41Å
324T53.5Low50.8Low45 Ų4593.4 Ų93.428%0.27650%0.499SS..SBendtrans-94.9111.3175.360.80000108.4F320 Y326F320-T324 HydrophobicContact CD2-CG2 4.25Å; F320-T324 HydrophobicContact CE1-CG2 4.46Å; F320-T324 HydrophobicContact CE2-CG2 3.86Å; F320-T324 HydrophobicContact CZ-CG2 3.98Å; F320-T324 WeakPolarHBondContact O-CB 3.49Å; F320-T324 WeakPolarHBondContact O-CG2 3.49Å; F320-T324 PolarHBondContact O-N 2.79Å; F320-T324 PolarHBondContact O-OG1 2.84Å; T324-Y326 PolarHBondContact O-N 2.9Å
325A43.2Very low49.4Very low107 Ų10798.5 Ų98.588%0.88452%0.519SS*.  trans-65.428.1174.400000113.8V327A325-V327 PolarHBondContact O-N 3.3Å
326Y40.5Very low47.7Very low149 Ų14996.2 Ų96.258%0.58451%0.509SS*.  trans-101.171.3-173.1-151.3-101.5000110.3T324 R328T324-Y326 PolarHBondContact O-N 2.9Å; Y326-R328 HydrophobicContact CD1-CB 3.99Å; Y326-R328 HydrophobicContact CD1-CG 4.24Å; Y326-R328 HydrophobicContact CE1-CB 3.76Å; Y326-R328 HydrophobicContact CE1-CG 3.84Å; Y326-R328 PolarHBondContact O-N 3.19Å; Y326-R328 WeakPolarHBondContact OH-CD 3.37Å; Y326-R328 PolarHBondContact OH-NH1 3.32Å
327V34.7Very low45.9Very low138 Ų13892.5 Ų92.584%0.83650%0.495SS*.  trans-71.978.6167.1-173.60000108.5A325A325-V327 PolarHBondContact O-N 3.3Å
328R33.1Very low44.2Very low178 Ų178100.1 Ų100.167%0.67252%0.523SS*.  trans-121.692.4164-77.6-161.9-177.4177.80.1110Y326 F330Y326-R328 HydrophobicContact CD1-CB 3.99Å; Y326-R328 HydrophobicContact CD1-CG 4.24Å; Y326-R328 HydrophobicContact CE1-CB 3.76Å; Y326-R328 HydrophobicContact CE1-CG 3.84Å; Y326-R328 PolarHBondContact O-N 3.19Å; Y326-R328 WeakPolarHBondContact OH-CD 3.37Å; Y326-R328 PolarHBondContact OH-NH1 3.32Å; R328-F330 WeakPolarHBondContact O-CD2 3.35Å; R328-F330 PolarHBondContact O-N 3.08Å
329G35.6Very low42.8Very low85 Ų85100.2 Ų100.288%0.87652%0.52SS*.SBendtrans63.9-7.5142.700000120.1
330F38.3Very low40.9Very low90 Ų90101 Ų10140%0.39553%0.525SS..SBendtrans-90.8122.9-179.1-84.1-93000110.5W259 Y317 R328W259-F330 HydrophobicContact CH2-CE1 4.14Å; W259-F330 HydrophobicContact CH2-CZ 4.19Å; W259-F330 HydrophobicContact CZ3-CE1 4.03Å; W259-F330 HydrophobicContact CZ3-CZ 4.48Å; Y317-F330 PolarHBondContact OH-O 2.89Å; Y317-F330 VanDerWaalsContact OH-O 3.08Å; R328-F330 WeakPolarHBondContact O-CD2 3.35Å; R328-F330 PolarHBondContact O-N 3.08Å
331L37.4Very low39.3Very low35 Ų35106.1 Ų106.118%0.18356%0.563CS.*  trans52.763.7172.2-63.5155.9000114K175 R333K175-L331 HydrophobicContact CD-CD2 3.7Å; K175-L331 HydrophobicContact CG-CD2 4.47Å; L331-R333 PolarHBondContact O-N 2.77Å
332S32.5Very low38.3Very low96 Ų96108.7 Ų108.767%0.67157%0.574SS**  trans-45.1116.915250.70000107.9T334S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 VanDerWaalsContact O-CA 3.28Å; S332-T334 WeakPolarHBondContact O-CA 3.4Å; S332-T334 PolarHBondContact O-N 2.87Å; S332-T334 PolarHBondContact O-OG1 2.92Å
333R35.3Very low36.8Very low211 Ų211106.3 Ų106.380%0.79657%0.566SS**  trans-18.485.9-179.1-65.7179.7177-152.9-2.6111.2L331 F335L331-R333 PolarHBondContact O-N 2.77Å; R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 HydrophobicContact CB-CD2 4.28Å; R333-F335 HydrophobicContact CB-CE2 3.63Å; R333-F335 HydrophobicContact CB-CZ 4.05Å; R333-F335 WeakPolarHBondContact O-CD2 3.46Å; R333-F335 WeakPolarHBondContact O-CE2 3.49Å; R333-F335 PolarHBondContact O-N 3.22Å
334T34.7Very low35.3Very low31 Ų31107.1 Ų107.119%0.1956%0.562CS.*  trans-88.887.9-168.6-53.50000106.5S172 K175 S332 V336S172-T334 WeakPolarHBondContact OG-CG2 3.36Å; K175-T334 PolarHBondContact NZ-OG1 3.11Å; S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 VanDerWaalsContact O-CA 3.28Å; S332-T334 WeakPolarHBondContact O-CA 3.4Å; S332-T334 PolarHBondContact O-N 2.87Å; S332-T334 PolarHBondContact O-OG1 2.92Å; T334-V336 HydrophobicContact CG2-CG2 4.16Å; T334-V336 PolarHBondContact O-N 2.85Å
335F35.6Very low34.2Very low120 Ų120110.7 Ų110.753%0.52658%0.579SS.*  trans-63.8103171.7-60-84000108.4L310 R333L310-F335 HydrophobicContact CD1-CD1 3.61Å; L310-F335 HydrophobicContact CD1-CE1 3.84Å; L310-F335 HydrophobicContact CD2-CD1 4.41Å; L310-F335 HydrophobicContact CD2-CE1 4.23Å; L310-F335 HydrophobicContact CG-CD1 4.03Å; L310-F335 HydrophobicContact CG-CE1 4.31Å; R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 HydrophobicContact CB-CD2 4.28Å; R333-F335 HydrophobicContact CB-CE2 3.63Å; R333-F335 HydrophobicContact CB-CZ 4.05Å; R333-F335 WeakPolarHBondContact O-CD2 3.46Å; R333-F335 WeakPolarHBondContact O-CE2 3.49Å; R333-F335 PolarHBondContact O-N 3.22Å
336V32.7Very low33.6Very low47 Ų47110.9 Ų110.929%0.28556%0.559SS.*  trans-111.4119.6161.9-172.60000105.8S172 W265 S311 T334S172-V336 WeakPolarHBondContact OG-CG2 3.42Å; W265-V336 HydrophobicContact CH2-CB 4.38Å; W265-V336 HydrophobicContact CH2-CG1 4.38Å; W265-V336 WeakPolarHBondContact CZ3-O 3.39Å; S311-V336 VanDerWaalsContact CB-O 3.23Å; S311-V336 WeakPolarHBondContact CB-O 3.46Å; S311-V336 PolarHBondContact N-O 3.28Å; T334-V336 HydrophobicContact CG2-CG2 4.16Å; T334-V336 PolarHBondContact O-N 2.85Å
337S30.6Very low33.2Very low32 Ų32108.4 Ų108.422%0.22456%0.558CS.*  trans-100.5136.7168.4172.40000108.2Y339S337-Y339 VanDerWaalsContact CB-CZ 3.48Å; S337-Y339 WeakPolarHBondContact CB-OH 3.29Å; S337-Y339 WeakPolarHBondContact OG-CE2 3.22Å; S337-Y339 PolarHBondContact OG-OH 3.22Å
338R28.2Very low33.1Very low180 Ų180106.3 Ų106.368%0.67954%0.538SS*.  trans-105117.3173.3-162.9-179.7-167.8-156.52.4107W265W265-R338 HydrophobicContact CH2-CB 4.45Å; W265-R338 HydrophobicContact CZ3-CB 4.34Å
339Y33.1Very low33.1Very low67 Ų67100.8 Ų100.826%0.26353%0.528SS..  trans-101.4126.4179.2-60.6-88.8000109.1V278 I282 V308 S337V278-Y339 VanDerWaalsContact CB-OH 3.31Å; V278-Y339 WeakPolarHBondContact CB-OH 3.36Å; V278-Y339 HydrophobicContact CG1-CE2 4.43Å; V278-Y339 WeakPolarHBondContact CG1-OH 3.49Å; I282-Y339 HydrophobicContact CD1-CD2 3.42Å; I282-Y339 VanDerWaalsContact CD1-CD2 3.42Å; I282-Y339 HydrophobicContact CD1-CE1 4.31Å; I282-Y339 HydrophobicContact CD1-CE2 2.93Å; I282-Y339 HydrophobicContact CD1-CG 4.29Å; I282-Y339 VanDerWaalsContact CD1-CZ 3.46Å; I282-Y339 HydrophobicContact CG1-CE2 4.44Å; V308-Y339 HydrophobicContact CG2-CE1 4.25Å; S337-Y339 VanDerWaalsContact CB-CZ 3.48Å; S337-Y339 WeakPolarHBondContact CB-OH 3.29Å; S337-Y339 WeakPolarHBondContact OG-CE2 3.22Å; S337-Y339 PolarHBondContact OG-OH 3.22Å
340M26Very low32.9Very low139 Ų139102.1 Ų102.169%0.68550%0.499SS*.  trans-97.3118.8153.5-76.5179.1159.400105.5
341T29.9Very low32.4Very low177 Ų177103.2 Ų103.2100%1.08651%0.508SS*.  trans-60.30175.947.90000111.7V306V306-T341 WeakPolarHBondContact CG2-OXT 3.3Å

Retrieved 341 of 341 residues in 167.2 ms (Link to these results)

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