A0A093I150_STRCA Loading...

Cyclin-dependent kinase-like 2

AlphaFold DB , UniProt , Accession A0A093I150, Species STRCA (Struthio camelus australis), Gene n/a, Length 558 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
1M87.5Confident90.4Very high45 Ų4568 Ų6822%0.22239%0.389CS..  0-42.40-75.9-49.7-66.500113.7K3 Y4 V32 C70 K72 Y77M1-K3 PolarHBondContact O-N 3.06Å; M1-K3 VanDerWaalsContact O-N 3.13Å; M1-Y4 PolarHBondContact O-N 3.1Å; M1-Y4 HydrophobicContact SD-CD2 4.21Å; M1-V32 HydrophobicContact CE-CG1 4.3Å; M1-C70 HydrophobicContact CG-CB 3.86Å; M1-C70 PolarHBondContact N-SG 3.42Å; M1-C70 HydrophobicContact SD-CB 3.66Å; M1-K72 HydrophobicContact CB-CB 4.48Å; M1-K72 HydrophobicContact CB-CD 3.97Å; M1-K72 HydrophobicContact CG-CB 4.18Å; M1-K72 HydrophobicContact CG-CD 4.5Å; M1-Y77 HydrophobicContact CE-CD1 3.71Å; M1-Y77 HydrophobicContact CE-CE1 4.02Å; M1-Y77 HydrophobicContact CE-CG 4.24Å; M1-Y77 HydrophobicContact CG-CD1 4.44Å; M1-Y77 HydrophobicContact CG-CD2 4.1Å; M1-Y77 HydrophobicContact CG-CE2 4.42Å; M1-Y77 HydrophobicContact CG-CG 4.13Å; M1-Y77 HydrophobicContact SD-CD1 3.85Å; M1-Y77 HydrophobicContact SD-CD2 4.32Å; M1-Y77 HydrophobicContact SD-CG 3.74Å
2E85.2Confident89.4Confident128 Ų12873.8 Ų73.860%0.59841%0.41SS*.THydrogen-bonded Turntrans-56.8-30.6-176.2-76.176.6-15200114.7Y4 K24 K72E2-Y4 PolarHBondContact O-N 3.44Å; E2-K24 WeakPolarHBondContact O-CE 3.39Å; E2-K24 PolarHBondContact O-NZ 2.76Å; E2-K72 IonicContact OE1-NZ 2.7Å; E2-K72 PolarHBondContact OE1-NZ 2.86Å
3K92.1Very high87.7Confident65 Ų6571.2 Ų71.228%0.28341%0.41SS..THydrogen-bonded Turntrans-64.7-10.217466.7177.6178.3-176.90115.1M1 N23 K24 D25 E68M1-K3 PolarHBondContact O-N 3.06Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-N23 PolarHBondContact O-OD1 3.43Å; K3-K24 WeakPolarHBondContact O-CB 3.43Å; K3-K24 VanDerWaalsContact O-CG 3.28Å; K3-K24 WeakPolarHBondContact O-CG 3.21Å; K3-K24 PolarHBondContact O-N 2.98Å; K3-D25 WeakPolarHBondContact CB-OD2 3.45Å; K3-D25 WeakPolarHBondContact CD-OD2 3.48Å; K3-E68 VanDerWaalsContact CE-OE1 3.3Å; K3-E68 WeakPolarHBondContact CE-OE1 3.4Å; K3-E68 WeakPolarHBondContact CE-OE2 3.22Å; K3-E68 IonicContact NZ-OE1 2.9Å; K3-E68 IonicContact NZ-OE2 2.74Å; K3-E68 PolarHBondContact NZ-OE2 3.13Å
4Y94.1Very high85.8Confident23 Ų2370.1 Ų70.19%0.0941%0.409CS..EExtended strand (participates in β ladder)trans-99.1133177.8-64.3-68.4000112.1M1 E2 C21 R22 N23 V30 E68 V79M1-Y4 PolarHBondContact O-N 3.1Å; M1-Y4 HydrophobicContact SD-CD2 4.21Å; E2-Y4 PolarHBondContact O-N 3.44Å; Y4-C21 HydrophobicContact CD1-CB 4.3Å; Y4-R22 WeakPolarHBondContact CA-O 3.33Å; Y4-N23 HydrophobicContact CD1-CB 4.11Å; Y4-N23 HydrophobicContact CE1-CB 3.75Å; Y4-V30 HydrophobicContact CD1-CG2 3.74Å; Y4-V30 HydrophobicContact CE1-CG1 4.45Å; Y4-V30 HydrophobicContact CE1-CG2 3.55Å; Y4-E68 WeakPolarHBondContact CE2-OE1 3.13Å; Y4-E68 PolarHBondContact OH-OE1 2.97Å; Y4-E68 PolarHBondContact OH-OE2 3.1Å; Y4-V79 HydrophobicContact CE1-CG1 4.21Å; Y4-V79 HydrophobicContact CE2-CG1 4.49Å; Y4-V79 HydrophobicContact CE2-CG2 4.02Å
5Q94.7Very high84.4Confident95 Ų9569 Ų6944%0.44440%0.396SS..EExtended strand (participates in β ladder)trans-104.2121.7166.9179.1-177.320.800108.1C21 R22 K24Q5-C21 CarbonylContact O-C 3.6Å; Q5-C21 VanDerWaalsContact O-CA 3.22Å; Q5-C21 WeakPolarHBondContact O-CA 3.49Å; Q5-R22 PolarHBondContact N-O 3.5Å; Q5-R22 PolarHBondContact O-N 3.33Å; Q5-K24 HydrophobicContact CB-CG 4.44Å
6A95.1Very high83.9Confident68 Ų6865.1 Ų65.156%0.56238%0.376SS*.EExtended strand (participates in β ladder)trans-66.2140.2171.100000110.5T19A6-T19 HydrophobicContact CB-CG2 3.8Å
7L94.7Very high84Confident74 Ų7462.6 Ų62.639%0.38736%0.361SS..EExtended strand (participates in β ladder)trans-114.5-28.2176.8-59.3-176.3000112.5K20 R22 I29L7-K20 WeakPolarHBondContact CB-O 3.39Å; L7-K20 PolarHBondContact N-O 3.36Å; L7-R22 HydrophobicContact CD1-CB 4.09Å; L7-R22 HydrophobicContact CD2-CB 4.23Å; L7-R22 HydrophobicContact CG-CB 4.23Å; L7-I29 HydrophobicContact CD1-CD1 3.92Å
8G93.1Very high84.4Confident32 Ų3261.3 Ų61.333%0.3335%0.354SS..EExtended strand (participates in β ladder)trans172.3166.9179.400000112.4T19 K20G8-T19 CarbonylContact O-C 3.27Å; G8-T19 WeakPolarHBondContact O-CG2 3.5Å; G8-K20 PolarHBondContact N-O 2.59Å; G8-K20 PolarHBondContact O-N 3.33Å
9L91.1Very high84.9Confident107 Ų10759.8 Ų59.856%0.5635%0.346SS*.EExtended strand (participates in β ladder)trans-69.1147.5167.5-17462.1000109.6G11 V17L9-G11 WeakPolarHBondContact CD1-O 3.17Å; L9-V17 HydrophobicContact CD1-CG1 3.4Å; L9-V17 VanDerWaalsContact CD1-CG1 3.4Å
10V86.6Confident85.4Confident80 Ų8060.3 Ų60.349%0.48534%0.344SS..EExtended strand (participates in β ladder)trans-114-42.8170.1-178.80000110V18 K20 F82V10-V18 HydrophobicContact CB-CB 4.43Å; V10-V18 HydrophobicContact CB-CG1 4.13Å; V10-V18 PolarHBondContact N-O 3Å; V10-K20 HydrophobicContact CG2-CB 3.59Å; V10-K20 HydrophobicContact CG2-CG 4.46Å; V10-F82 HydrophobicContact CG2-CE2 4.1Å
11G79.9Confident85.9Confident31 Ų3157.7 Ų57.732%0.3233%0.33SS..EExtended strand (participates in β ladder)trans-165.1157.3176.400000110.9L9 V18L9-G11 WeakPolarHBondContact CD1-O 3.17Å; G11-V18 PolarHBondContact N-O 3.08Å; G11-V18 PolarHBondContact O-N 3.4Å
12E78.3Confident86.3Confident137 Ų13760 Ų6064%0.6434%0.336SS*.EExtended strand (participates in β ladder)trans-133.8138175.6178.2159-152.300108.1V17E12-V17 HydrophobicContact CG-CG2 4.25Å
13G68.1Low86.8Confident40 Ų4054.4 Ų54.441%0.41231%0.31SS..EExtended strand (participates in β ladder)trans-163177.1-178.100000111.9Y15 G16G13-Y15 PolarHBondContact O-N 2.94Å; G13-G16 PolarHBondContact N-O 2.98Å; G13-G16 VanDerWaalsContact N-O 3.09Å; G13-G16 PolarHBondContact O-N 3.37Å; G13-G16 VanDerWaalsContact O-O 3.1Å
14S61.1Low86.8Confident56 Ų5657.3 Ų57.339%0.39232%0.323SS..THydrogen-bonded Turntrans-52.7-21.9-166.5-35.80000115.6V162S14-V162 VanDerWaalsContact OG-CG1 3.23Å; S14-V162 WeakPolarHBondContact OG-CG1 3.43Å; S14-V162 PolarHBondContact OG-O 3.48Å
15Y63.9Low86.7Confident54 Ų5461.7 Ų61.721%0.21235%0.348CS..THydrogen-bonded Turntrans-110.5-7.1-177.2-53.9-71.5000114.2G13 F35 M47 F147G13-Y15 PolarHBondContact O-N 2.94Å; Y15-F35 VanDerWaalsContact O-CD1 3.3Å; Y15-F35 WeakPolarHBondContact O-CD1 3.24Å; Y15-M47 HydrophobicContact CD1-CE 3.82Å; Y15-M47 HydrophobicContact CE1-CE 3.78Å; Y15-M47 HydrophobicContact CE1-SD 4.49Å; Y15-F147 HydrophobicContact CD2-CZ 4.44Å; Y15-F147 HydrophobicContact CE2-CE1 4.16Å; Y15-F147 AromaticContact CE2-CE2 3.77Å; Y15-F147 HydrophobicContact CE2-CE2 3.77Å; Y15-F147 AromaticContact CE2-CZ 3.35Å; Y15-F147 HydrophobicContact CE2-CZ 3.35Å; Y15-F147 AromaticContact CZ-CE1 3.93Å; Y15-F147 AromaticContact CZ-CZ 3.56Å; Y15-F147 WeakPolarHBondContact OH-CE1 3.49Å; Y15-F147 VanDerWaalsContact OH-CZ 3.23Å; Y15-F147 WeakPolarHBondContact OH-CZ 3.46Å
16G76.2Confident86.5Confident7 Ų758.8 Ų58.87%0.07234%0.335CS..EExtended strand (participates in β ladder)trans164.7173.6-175.700000116.8G13 K34G13-G16 PolarHBondContact N-O 2.98Å; G13-G16 VanDerWaalsContact N-O 3.09Å; G13-G16 PolarHBondContact O-N 3.37Å; G13-G16 VanDerWaalsContact O-O 3.1Å; G16-K34 CarbonylContact C-O 3.53Å; G16-K34 WeakPolarHBondContact CA-O 3.46Å
17V86.1Confident86.2Confident22 Ų2256.1 Ų56.113%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-108.7125176.4-175.60000108.6L9 E12 K34 L36L9-V17 HydrophobicContact CD1-CG1 3.4Å; L9-V17 VanDerWaalsContact CD1-CG1 3.4Å; E12-V17 HydrophobicContact CG-CG2 4.25Å; V17-K34 PolarHBondContact N-O 3.33Å; V17-K34 PolarHBondContact O-N 2.86Å; V17-L36 HydrophobicContact CG2-CD2 4.09Å
18V90.9Very high86Confident39 Ų3954.8 Ų54.824%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-99.5112.8178.5-173.80000109.5V10 G11 A31 V32 K33V10-V18 HydrophobicContact CB-CB 4.43Å; V10-V18 HydrophobicContact CB-CG1 4.13Å; V10-V18 PolarHBondContact N-O 3Å; G11-V18 PolarHBondContact N-O 3.08Å; G11-V18 PolarHBondContact O-N 3.4Å; V18-A31 HydrophobicContact CG1-CB 4.18Å; V18-V32 WeakPolarHBondContact CA-O 3.31Å; V18-K33 HydrophobicContact CG2-CB 4.27Å; V18-K33 HydrophobicContact CG2-CG 4.32Å
19T94Very high86.1Confident33 Ų3354.8 Ų54.820%0.20230%0.298CS..EExtended strand (participates in β ladder)trans-109.6127-175.7-50.80000111.2A6 G8 C21 V32A6-T19 HydrophobicContact CB-CG2 3.8Å; G8-T19 CarbonylContact O-C 3.27Å; G8-T19 WeakPolarHBondContact O-CG2 3.5Å; T19-C21 PolarHBondContact O-N 2.78Å; T19-C21 PolarHBondContact O-SG 3.38Å; T19-C21 VanDerWaalsContact O-SG 3.37Å; T19-V32 PolarHBondContact N-O 3.02Å; T19-V32 PolarHBondContact O-N 3.2Å
20K95.4Very high86.3Confident70 Ų7049.8 Ų49.830%0.30427%0.272SS..EExtended strand (participates in β ladder)trans-68.5118.9170.4-165.8164-172.2163.70107.9L7 G8 V10 I29 F82L7-K20 WeakPolarHBondContact CB-O 3.39Å; L7-K20 PolarHBondContact N-O 3.36Å; G8-K20 PolarHBondContact N-O 2.59Å; G8-K20 PolarHBondContact O-N 3.33Å; V10-K20 HydrophobicContact CG2-CB 3.59Å; V10-K20 HydrophobicContact CG2-CG 4.46Å; K20-I29 HydrophobicContact CG-CG2 3.94Å; K20-F82 HydrophobicContact CB-CE2 4.47Å; K20-F82 HydrophobicContact CD-CD2 4.12Å; K20-F82 HydrophobicContact CD-CE1 4.38Å; K20-F82 HydrophobicContact CD-CE2 3.59Å; K20-F82 HydrophobicContact CD-CZ 3.78Å; K20-F82 VanDerWaalsContact CE-CE1 3.41Å; K20-F82 HydrophobicContact CG-CD2 3.89Å; K20-F82 HydrophobicContact CG-CE2 3.83Å; K20-F82 HydrophobicContact CG-CZ 4.46Å
21C96.2Very high86.7Confident6 Ų646.7 Ų46.74%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-124.8153.4-178.2-60.50000111.4Y4 Q5 T19 I29 V30 V32Y4-C21 HydrophobicContact CD1-CB 4.3Å; Q5-C21 CarbonylContact O-C 3.6Å; Q5-C21 VanDerWaalsContact O-CA 3.22Å; Q5-C21 WeakPolarHBondContact O-CA 3.49Å; T19-C21 PolarHBondContact O-N 2.78Å; T19-C21 PolarHBondContact O-SG 3.38Å; T19-C21 VanDerWaalsContact O-SG 3.37Å; C21-I29 WeakPolarHBondContact O-CA 3.41Å; C21-V30 HydrophobicContact CB-CG2 3.9Å; C21-V30 PolarHBondContact N-O 2.84Å; C21-V30 PolarHBondContact O-N 2.91Å; C21-V32 HydrophobicContact CB-CG2 3.88Å
22R95.9Very high87.4Confident92 Ų9245.3 Ų45.335%0.34724%0.24SC..EExtended strand (participates in β ladder)trans-104.9128.2167.1-177.8174.7-65.8147.42.4108.9Y4 Q5 L7 K24 Q28 I29Y4-R22 WeakPolarHBondContact CA-O 3.33Å; Q5-R22 PolarHBondContact N-O 3.5Å; Q5-R22 PolarHBondContact O-N 3.33Å; L7-R22 HydrophobicContact CD1-CB 4.09Å; L7-R22 HydrophobicContact CD2-CB 4.23Å; L7-R22 HydrophobicContact CG-CB 4.23Å; R22-K24 PolarHBondContact O-N 2.96Å; R22-Q28 CarbonylContact C-O 3.42Å; R22-Q28 WeakPolarHBondContact CA-O 3.48Å; R22-I29 HydrophobicContact CB-CD1 4.13Å; R22-I29 HydrophobicContact CG-CD1 4.19Å
23N94.3Very high88Confident11 Ų1139.3 Ų39.36%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-70.6124.6163.4-1751.4000108.8K3 Y4 D25 N26 G27 Q28K3-N23 PolarHBondContact O-OD1 3.43Å; Y4-N23 HydrophobicContact CD1-CB 4.11Å; Y4-N23 HydrophobicContact CE1-CB 3.75Å; N23-D25 VanDerWaalsContact C-N 3.33Å; N23-D25 PolarHBondContact OD1-N 2.95Å; N23-D25 VanDerWaalsContact OD1-N 3.1Å; N23-D25 PolarHBondContact OD1-OD2 3.42Å; N23-N26 VanDerWaalsContact CB-OD1 3.24Å; N23-N26 WeakPolarHBondContact CB-OD1 3.37Å; N23-N26 VanDerWaalsContact CG-OD1 3.31Å; N23-N26 PolarHBondContact ND2-OD1 3.42Å; N23-G27 WeakPolarHBondContact O-CA 3.38Å; N23-G27 PolarHBondContact O-N 2.88Å; N23-Q28 HydrophobicContact CB-CB 4.44Å; N23-Q28 PolarHBondContact N-O 3.47Å
24K93.7Very high88.9Confident126 Ų12640 Ų4055%0.54820%0.204SC..THydrogen-bonded Turntrans-68-35.1179.6-66.3168.5-175.2171.40111.4E2 K3 Q5 R22E2-K24 WeakPolarHBondContact O-CE 3.39Å; E2-K24 PolarHBondContact O-NZ 2.76Å; K3-K24 WeakPolarHBondContact O-CB 3.43Å; K3-K24 VanDerWaalsContact O-CG 3.28Å; K3-K24 WeakPolarHBondContact O-CG 3.21Å; K3-K24 PolarHBondContact O-N 2.98Å; Q5-K24 HydrophobicContact CB-CG 4.44Å; R22-K24 PolarHBondContact O-N 2.96Å
25D91.8Very high89.7Confident116 Ų11637.8 Ų37.862%0.6219%0.187SC*.THydrogen-bonded Turntrans-71.9-36.4-169.5-44.3-21.1000112.2K3 N23K3-D25 WeakPolarHBondContact CB-OD2 3.45Å; K3-D25 WeakPolarHBondContact CD-OD2 3.48Å; N23-D25 VanDerWaalsContact C-N 3.33Å; N23-D25 PolarHBondContact OD1-N 2.95Å; N23-D25 VanDerWaalsContact OD1-N 3.1Å; N23-D25 PolarHBondContact OD1-OD2 3.42Å
26N89.3Confident89.8Confident34 Ų3437.8 Ų37.818%0.18219%0.19CC..THydrogen-bonded Turntrans-128.92.8-174.375.5-4.3000114.1N23 Q28 K315N23-N26 VanDerWaalsContact CB-OD1 3.24Å; N23-N26 WeakPolarHBondContact CB-OD1 3.37Å; N23-N26 VanDerWaalsContact CG-OD1 3.31Å; N23-N26 PolarHBondContact ND2-OD1 3.42Å; N26-Q28 PolarHBondContact ND2-OE1 3.47Å; N26-Q28 PolarHBondContact O-N 2.94Å; N26-Q28 WeakPolarHBondContact OD1-CB 3.3Å; N26-Q28 PolarHBondContact OD1-N 3.29Å; N26-K315 HydrophobicContact CB-CG 4.44Å
27G88.9Confident89.5Confident11 Ų1141.9 Ų41.911%0.11321%0.208CC..  trans71.6-0.4179.400000116.7N23N23-G27 WeakPolarHBondContact O-CA 3.38Å; N23-G27 PolarHBondContact O-N 2.88Å
28Q92.2Very high88.4Confident47 Ų4742.7 Ų42.722%0.2221%0.214CC..  trans-66141.3-174.8-175.5-179.61.700112.1R22 N23 N26 V30R22-Q28 CarbonylContact C-O 3.42Å; R22-Q28 WeakPolarHBondContact CA-O 3.48Å; N23-Q28 HydrophobicContact CB-CB 4.44Å; N23-Q28 PolarHBondContact N-O 3.47Å; N26-Q28 PolarHBondContact ND2-OE1 3.47Å; N26-Q28 PolarHBondContact O-N 2.94Å; N26-Q28 WeakPolarHBondContact OD1-CB 3.3Å; N26-Q28 PolarHBondContact OD1-N 3.29Å; Q28-V30 HydrophobicContact CG-CG1 4.24Å
29I94.5Very high87.1Confident32 Ų3242.3 Ų42.316%0.16421%0.21CC..EExtended strand (participates in β ladder)trans-89.2135.1171.5-47.9-56000109.5L7 K20 C21 R22 F82L7-I29 HydrophobicContact CD1-CD1 3.92Å; K20-I29 HydrophobicContact CG-CG2 3.94Å; C21-I29 WeakPolarHBondContact O-CA 3.41Å; R22-I29 HydrophobicContact CB-CD1 4.13Å; R22-I29 HydrophobicContact CG-CD1 4.19Å; I29-F82 HydrophobicContact CB-CB 4.26Å; I29-F82 HydrophobicContact CG2-CB 3.77Å; I29-F82 HydrophobicContact CG2-CD1 3.97Å; I29-F82 HydrophobicContact CG2-CD2 4.32Å; I29-F82 HydrophobicContact CG2-CG 3.72Å
30V95.4Very high86Confident1 Ų145.7 Ų45.71%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-137.7154.4-178.1-61.20000110.5Y4 C21 Q28 V32 L67 V79 F80Y4-V30 HydrophobicContact CD1-CG2 3.74Å; Y4-V30 HydrophobicContact CE1-CG1 4.45Å; Y4-V30 HydrophobicContact CE1-CG2 3.55Å; C21-V30 HydrophobicContact CB-CG2 3.9Å; C21-V30 PolarHBondContact N-O 2.84Å; C21-V30 PolarHBondContact O-N 2.91Å; Q28-V30 HydrophobicContact CG-CG1 4.24Å; V30-V32 HydrophobicContact CG2-CG2 4.02Å; V30-L67 HydrophobicContact CG1-CD1 3.79Å; V30-V79 HydrophobicContact CB-CG1 3.76Å; V30-V79 HydrophobicContact CG1-CG1 4.06Å; V30-V79 HydrophobicContact CG2-CG1 3.76Å; V30-F80 WeakPolarHBondContact CA-O 3.29Å; V30-F80 VanDerWaalsContact CB-O 3.29Å; V30-F80 WeakPolarHBondContact CB-O 3.45Å
31A95.5Very high85Confident15 Ų1545.4 Ų45.412%0.12423%0.228CC..EExtended strand (participates in β ladder)trans-96.3132.8167.200000109.3V18 F80 F82V18-A31 HydrophobicContact CG1-CB 4.18Å; A31-F80 HydrophobicContact CB-CB 4.39Å; A31-F80 PolarHBondContact N-O 3.1Å; A31-F80 VanDerWaalsContact N-O 3.07Å; A31-F80 PolarHBondContact O-N 3.07Å; A31-F82 HydrophobicContact CB-CD2 4.37Å
32V93.6Very high84Confident3 Ų348.8 Ų48.82%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-118.5107.1179-174.50000110.1M1 V18 T19 C21 V30 Y77 L78 V79M1-V32 HydrophobicContact CE-CG1 4.3Å; V18-V32 WeakPolarHBondContact CA-O 3.31Å; T19-V32 PolarHBondContact N-O 3.02Å; T19-V32 PolarHBondContact O-N 3.2Å; C21-V32 HydrophobicContact CB-CG2 3.88Å; V30-V32 HydrophobicContact CG2-CG2 4.02Å; V32-Y77 HydrophobicContact CG1-CD1 4.05Å; V32-L78 CarbonylContact C-O 3.59Å; V32-L78 WeakPolarHBondContact CA-O 3.4Å; V32-V79 HydrophobicContact CG1-CG2 4.42Å; V32-V79 HydrophobicContact CG2-CG1 4.31Å; V32-V79 HydrophobicContact CG2-CG2 4.21Å
33K90.6Very high82.9Confident10 Ų1049.2 Ų49.24%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-83.3113.4172.9-178.2174.7171.1-176.80108.5V18 E51 Y77 L78 F80 D144V18-K33 HydrophobicContact CG2-CB 4.27Å; V18-K33 HydrophobicContact CG2-CG 4.32Å; K33-E51 VanDerWaalsContact NZ-CD 3.35Å; K33-E51 IonicContact NZ-OE1 2.7Å; K33-E51 PolarHBondContact NZ-OE1 3.1Å; K33-E51 IonicContact NZ-OE2 3.98Å; K33-E51 PolarHBondContact NZ-OE2 3.49Å; K33-E51 VanDerWaalsContact NZ-OE2 3.11Å; K33-Y77 WeakPolarHBondContact O-CA 3.4Å; K33-L78 HydrophobicContact CB-CB 4.42Å; K33-L78 PolarHBondContact N-O 2.7Å; K33-L78 PolarHBondContact O-N 2.73Å; K33-F80 HydrophobicContact CB-CE2 4.02Å; K33-F80 HydrophobicContact CD-CE2 4.41Å; K33-D144 WeakPolarHBondContact CE-OD2 3.47Å; K33-D144 IonicContact NZ-OD1 2.73Å; K33-D144 PolarHBondContact NZ-OD1 2.75Å; K33-D144 IonicContact NZ-OD2 3.18Å; K33-D144 PolarHBondContact NZ-OD2 2.93Å
34K87.9Confident81.8Confident55 Ų5549.9 Ų49.924%0.23927%0.268CS..EExtended strand (participates in β ladder)trans-104.5119.1177.4169.3-145.7157.6-1500108.8G16 V17 Y77G16-K34 CarbonylContact C-O 3.53Å; G16-K34 WeakPolarHBondContact CA-O 3.46Å; V17-K34 PolarHBondContact N-O 3.33Å; V17-K34 PolarHBondContact O-N 2.86Å; K34-Y77 HydrophobicContact CB-CD1 3.9Å; K34-Y77 HydrophobicContact CB-CE1 3.91Å; K34-Y77 HydrophobicContact CD-CE1 4.35Å; K34-Y77 HydrophobicContact CG-CD1 4.08Å; K34-Y77 HydrophobicContact CG-CE1 3.62Å
35F78.2Confident80.9Confident10 Ų1048.1 Ų48.14%0.04426%0.261CS..  trans-66.8144.3170.7-65.4-84.4000111.4Y15 V44 A48 E51 W76 L78Y15-F35 VanDerWaalsContact O-CD1 3.3Å; Y15-F35 WeakPolarHBondContact O-CD1 3.24Å; F35-V44 HydrophobicContact CB-CG1 4.35Å; F35-V44 HydrophobicContact CD1-CG1 4.18Å; F35-V44 HydrophobicContact CG-CG1 4.46Å; F35-A48 HydrophobicContact CD2-CB 4.29Å; F35-A48 HydrophobicContact CE1-CB 4.38Å; F35-A48 HydrophobicContact CE2-CB 3.74Å; F35-A48 HydrophobicContact CZ-CB 3.8Å; F35-E51 WeakPolarHBondContact CZ-OE2 3.39Å; F35-W76 HydrophobicContact CD2-CB 4.03Å; F35-W76 PolarHBondContact N-O 2.89Å; F35-L78 HydrophobicContact CE2-CD1 3.95Å; F35-L78 HydrophobicContact CE2-CG 3.98Å; F35-L78 HydrophobicContact CZ-CD1 4.12Å
36L65.9Low80.2Confident54 Ų5447.9 Ų47.928%0.28325%0.254SS..SBendtrans-77-52.8-177-74.7164.8000111.5V17 R75V17-L36 HydrophobicContact CG2-CD2 4.09Å; L36-R75 PolarHBondContact O-NE 3.19Å; L36-R75 PolarHBondContact O-NH2 3.02Å
37E68.7Low79.5Confident93 Ų9347.2 Ų47.244%0.43525%0.25SS..SBendtrans-63.8167.5-180-85.545.9-107.700114.3D41 V44E37-D41 HydrophobicContact CB-CB 4.35Å; E37-V44 HydrophobicContact CB-CB 4.25Å; E37-V44 HydrophobicContact CB-CG1 4.17Å; E37-V44 HydrophobicContact CB-CG2 3.92Å; E37-V44 HydrophobicContact CG-CG2 4.14Å
38S64.4Low78.8Confident39 Ų3946.8 Ų46.827%0.27325%0.246SC..  trans-79154.4167.2-168.80000110.6D40 D41 K74S38-D40 WeakPolarHBondContact CB-OD2 3.44Å; S38-D40 PolarHBondContact O-N 3.01Å; S38-D40 PolarHBondContact OG-N 3.34Å; S38-D40 PolarHBondContact OG-OD2 3.31Å; S38-D41 WeakPolarHBondContact O-CB 3.28Å; S38-D41 PolarHBondContact O-N 2.72Å; S38-K74 WeakPolarHBondContact OG-CD 3.31Å
39E63.4Low78.2Confident31 Ų3148.5 Ų48.515%0.14526%0.256CS..THydrogen-bonded Turntrans-65.3-2.4167.773.3-175151.100114.6K45 K71 K74 W76E39-K45 WeakPolarHBondContact O-CD 3.4Å; E39-K71 WeakPolarHBondContact OE1-CE 3.48Å; E39-K71 IonicContact OE1-NZ 2.86Å; E39-K71 PolarHBondContact OE1-NZ 3.37Å; E39-K71 WeakPolarHBondContact OE2-CE 3.21Å; E39-K71 IonicContact OE2-NZ 3.33Å; E39-K71 PolarHBondContact OE2-NZ 3.29Å; E39-K74 WeakPolarHBondContact CB-O 3.46Å; E39-K74 HydrophobicContact CG-CB 4.13Å; E39-K74 HydrophobicContact CG-CG 4.48Å; E39-K74 WeakPolarHBondContact CG-O 3.41Å; E39-K74 PolarHBondContact N-O 2.98Å; E39-W76 PolarHBondContact OE2-NE1 2.88Å
40D70.6Confident77.4Confident104 Ų10450 Ų5056%0.55626%0.259SS*.THydrogen-bonded Turntrans-69-24.4168.8-56.3-53.3000111.3S38 A42 K74S38-D40 WeakPolarHBondContact CB-OD2 3.44Å; S38-D40 PolarHBondContact O-N 3.01Å; S38-D40 PolarHBondContact OG-N 3.34Å; S38-D40 PolarHBondContact OG-OD2 3.31Å; D40-A42 PolarHBondContact O-N 2.9Å; D40-K74 IonicContact OD1-NZ 3.57Å; D40-K74 PolarHBondContact OD1-NZ 3.31Å; D40-K74 WeakPolarHBondContact OD2-CD 3.33Å; D40-K74 IonicContact OD2-NZ 2.65Å; D40-K74 PolarHBondContact OD2-NZ 3.11Å
41D74.8Confident76.6Confident63 Ų6350 Ų5034%0.33726%0.259SS..SBendtrans-72.6115167.8-175.7-47.9000109.9E37 S38 M43 V44 K45E37-D41 HydrophobicContact CB-CB 4.35Å; S38-D41 WeakPolarHBondContact O-CB 3.28Å; S38-D41 PolarHBondContact O-N 2.72Å; D41-M43 VanDerWaalsContact C-N 3.34Å; D41-M43 PolarHBondContact O-N 3.28Å; D41-M43 VanDerWaalsContact OD1-CA 3.31Å; D41-M43 WeakPolarHBondContact OD1-CA 3.36Å; D41-M43 VanDerWaalsContact OD1-CB 3.31Å; D41-M43 WeakPolarHBondContact OD1-CB 3.23Å; D41-M43 PolarHBondContact OD1-N 3.17Å; D41-V44 HydrophobicContact CB-CB 4.12Å; D41-V44 HydrophobicContact CB-CG2 4.24Å; D41-V44 PolarHBondContact OD1-N 2.94Å; D41-K45 WeakPolarHBondContact O-CB 3.41Å; D41-K45 PolarHBondContact O-N 3.42Å
42A74.9Confident76Confident77 Ų7749.9 Ų49.964%0.63626%0.257SS*.Hα-helixtrans-67.5-30.8-178.900000113.5D40 K46D40-A42 PolarHBondContact O-N 2.9Å; A42-K46 WeakPolarHBondContact O-CB 3.35Å; A42-K46 PolarHBondContact O-N 2.82Å
43M72.2Confident75.5Confident101 Ų10156.2 Ų56.250%0.49828%0.284SS..Hα-helixtrans-73.3-49.3177.9173.6167.9133.900110.8D41 K45 K46 M47 T159D41-M43 VanDerWaalsContact C-N 3.34Å; D41-M43 PolarHBondContact O-N 3.28Å; D41-M43 VanDerWaalsContact OD1-CA 3.31Å; D41-M43 WeakPolarHBondContact OD1-CA 3.36Å; D41-M43 VanDerWaalsContact OD1-CB 3.31Å; D41-M43 WeakPolarHBondContact OD1-CB 3.23Å; D41-M43 PolarHBondContact OD1-N 3.17Å; M43-K45 PolarHBondContact O-N 2.95Å; M43-K46 WeakPolarHBondContact O-CB 3.25Å; M43-K46 PolarHBondContact O-N 2.79Å; M43-K46 VanDerWaalsContact O-N 3.12Å; M43-M47 HydrophobicContact CE-SD 4.36Å; M43-M47 HydrophobicContact CG-SD 4.41Å; M43-M47 WeakPolarHBondContact O-CG 3.06Å; M43-M47 PolarHBondContact O-N 3.01Å; M43-T159 HydrophobicContact CE-CG2 3.55Å; M43-T159 HydrophobicContact SD-CG2 4.31Å
44V70.6Confident75Confident25 Ų2556.6 Ų56.615%0.15229%0.286CS..Hα-helixtrans-64.3-41.6177.91760000110.9F35 E37 D41 K46 M47 A48F35-V44 HydrophobicContact CB-CG1 4.35Å; F35-V44 HydrophobicContact CD1-CG1 4.18Å; F35-V44 HydrophobicContact CG-CG1 4.46Å; E37-V44 HydrophobicContact CB-CB 4.25Å; E37-V44 HydrophobicContact CB-CG1 4.17Å; E37-V44 HydrophobicContact CB-CG2 3.92Å; E37-V44 HydrophobicContact CG-CG2 4.14Å; D41-V44 HydrophobicContact CB-CB 4.12Å; D41-V44 HydrophobicContact CB-CG2 4.24Å; D41-V44 PolarHBondContact OD1-N 2.94Å; V44-K46 VanDerWaalsContact C-N 3.31Å; V44-K46 PolarHBondContact O-N 3.01Å; V44-M47 PolarHBondContact O-N 3.18Å; V44-A48 WeakPolarHBondContact O-CB 3.24Å; V44-A48 PolarHBondContact O-N 2.96Å
45K76.3Confident74.8Confident90 Ų9054.5 Ų54.539%0.39128%0.278SS..Hα-helixtrans-58.5-40.9172-175.8-178.2-169.7168.10112.3E39 D41 M43 L49E39-K45 WeakPolarHBondContact O-CD 3.4Å; D41-K45 WeakPolarHBondContact O-CB 3.41Å; D41-K45 PolarHBondContact O-N 3.42Å; M43-K45 PolarHBondContact O-N 2.95Å; K45-L49 HydrophobicContact CG-CD1 4.06Å; K45-L49 WeakPolarHBondContact O-CB 3.18Å; K45-L49 VanDerWaalsContact O-CG 3.26Å; K45-L49 WeakPolarHBondContact O-CG 3.46Å; K45-L49 PolarHBondContact O-N 3.25Å
46K76.9Confident75.1Confident110 Ų11060.8 Ų60.848%0.47831%0.305SS..Hα-helixtrans-69.4-39.2178.3-175.9178.6179.5-167.60112.3A42 M43 V44 R50 E156A42-K46 WeakPolarHBondContact O-CB 3.35Å; A42-K46 PolarHBondContact O-N 2.82Å; M43-K46 WeakPolarHBondContact O-CB 3.25Å; M43-K46 PolarHBondContact O-N 2.79Å; M43-K46 VanDerWaalsContact O-N 3.12Å; V44-K46 VanDerWaalsContact C-N 3.31Å; V44-K46 PolarHBondContact O-N 3.01Å; K46-R50 VanDerWaalsContact O-CB 3.32Å; K46-R50 WeakPolarHBondContact O-CB 3.49Å; K46-R50 PolarHBondContact O-N 3.17Å; K46-R50 VanDerWaalsContact O-N 3.07Å; K46-E156 WeakPolarHBondContact CE-OE1 3.4Å; K46-E156 IonicContact NZ-OE1 2.83Å; K46-E156 PolarHBondContact NZ-OE1 2.78Å
47M73.8Confident76Confident20 Ų2064.3 Ų64.310%0.09932%0.32CS..Hα-helixtrans-64.6-50.1172.8-70.7-179.869.400111.5Y15 M43 V44 L49 R50 E51Y15-M47 HydrophobicContact CD1-CE 3.82Å; Y15-M47 HydrophobicContact CE1-CE 3.78Å; Y15-M47 HydrophobicContact CE1-SD 4.49Å; M43-M47 HydrophobicContact CE-SD 4.36Å; M43-M47 HydrophobicContact CG-SD 4.41Å; M43-M47 WeakPolarHBondContact O-CG 3.06Å; M43-M47 PolarHBondContact O-N 3.01Å; V44-M47 PolarHBondContact O-N 3.18Å; M47-L49 PolarHBondContact O-N 3.05Å; M47-R50 WeakPolarHBondContact O-CB 3.43Å; M47-R50 PolarHBondContact O-N 3.38Å; M47-R50 VanDerWaalsContact O-N 3.16Å; M47-E51 PolarHBondContact O-N 3.37Å
48A75.3Confident76.9Confident2 Ų260.4 Ų60.42%0.01730%0.302CS..Hα-helixtrans-61-44179.300000112.3F35 V44 R50 E51 I52F35-A48 HydrophobicContact CD2-CB 4.29Å; F35-A48 HydrophobicContact CE1-CB 4.38Å; F35-A48 HydrophobicContact CE2-CB 3.74Å; F35-A48 HydrophobicContact CZ-CB 3.8Å; V44-A48 WeakPolarHBondContact O-CB 3.24Å; V44-A48 PolarHBondContact O-N 2.96Å; A48-R50 VanDerWaalsContact C-N 3.32Å; A48-R50 PolarHBondContact O-N 2.81Å; A48-E51 PolarHBondContact O-N 3.3Å; A48-I52 WeakPolarHBondContact O-CB 3.39Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 WeakPolarHBondContact O-CG1 3.31Å; A48-I52 PolarHBondContact O-N 2.79Å
49L79.5Confident78.2Confident83 Ų8367.2 Ų67.244%0.43532%0.322SS..Hα-helixtrans-66.9-31.4176.7-71172.6000112.9K45 M47 K53K45-L49 HydrophobicContact CG-CD1 4.06Å; K45-L49 WeakPolarHBondContact O-CB 3.18Å; K45-L49 VanDerWaalsContact O-CG 3.26Å; K45-L49 WeakPolarHBondContact O-CG 3.46Å; K45-L49 PolarHBondContact O-N 3.25Å; M47-L49 PolarHBondContact O-N 3.05Å; L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.5Å; L49-K53 PolarHBondContact O-N 3.42Å
50R76.3Confident79.7Confident63 Ų6367.6 Ų67.624%0.23832%0.323CS..Hα-helixtrans-65.6-52.4171.1169.2178.4-61.61652.5111.4K46 M47 A48 I52 K53 L54 A148 E156K46-R50 VanDerWaalsContact O-CB 3.32Å; K46-R50 WeakPolarHBondContact O-CB 3.49Å; K46-R50 PolarHBondContact O-N 3.17Å; K46-R50 VanDerWaalsContact O-N 3.07Å; M47-R50 WeakPolarHBondContact O-CB 3.43Å; M47-R50 PolarHBondContact O-N 3.38Å; M47-R50 VanDerWaalsContact O-N 3.16Å; A48-R50 VanDerWaalsContact C-N 3.32Å; A48-R50 PolarHBondContact O-N 2.81Å; R50-I52 VanDerWaalsContact C-N 3.34Å; R50-I52 PolarHBondContact O-N 3.26Å; R50-K53 PolarHBondContact O-N 2.97Å; R50-K53 VanDerWaalsContact O-N 3.12Å; R50-L54 HydrophobicContact CG-CD1 3.95Å; R50-L54 HydrophobicContact CG-CG 4.47Å; R50-L54 WeakPolarHBondContact O-CG 3.19Å; R50-L54 PolarHBondContact O-N 3.24Å; R50-A148 WeakPolarHBondContact CD-O 3.3Å; R50-E156 IonicContact CZ-OE1 2.65Å; R50-E156 IonicContact CZ-OE2 2.75Å; R50-E156 VanDerWaalsContact CZ-OE2 3.25Å; R50-E156 IonicContact NH1-OE1 3.49Å; R50-E156 IonicContact NH1-OE2 2.74Å; R50-E156 PolarHBondContact NH1-OE2 2.78Å; R50-E156 IonicContact NH2-OE1 3.18Å; R50-E156 PolarHBondContact NH2-OE1 2.8Å; R50-E156 IonicContact NH2-OE2 2.85Å; R50-E156 PolarHBondContact NH2-OE2 2.93Å
51E78.6Confident80.9Confident2 Ų265.6 Ų65.61%0.00931%0.311CS..Hα-helixtrans-57.6-47.1178.9-173.1173.4-176.700110.3K33 F35 M47 A48 K53 L54 L55 L78 F145K33-E51 VanDerWaalsContact NZ-CD 3.35Å; K33-E51 IonicContact NZ-OE1 2.7Å; K33-E51 PolarHBondContact NZ-OE1 3.1Å; K33-E51 IonicContact NZ-OE2 3.98Å; K33-E51 PolarHBondContact NZ-OE2 3.49Å; K33-E51 VanDerWaalsContact NZ-OE2 3.11Å; F35-E51 WeakPolarHBondContact CZ-OE2 3.39Å; M47-E51 PolarHBondContact O-N 3.37Å; A48-E51 PolarHBondContact O-N 3.3Å; E51-K53 PolarHBondContact O-N 3.45Å; E51-L54 PolarHBondContact O-N 2.91Å; E51-L55 HydrophobicContact CG-CD1 3.61Å; E51-L55 HydrophobicContact CG-CG 4.39Å; E51-L55 VanDerWaalsContact O-CB 3.29Å; E51-L55 WeakPolarHBondContact O-CB 3.46Å; E51-L55 WeakPolarHBondContact O-CD1 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.39Å; E51-L78 HydrophobicContact CG-CD1 3.95Å; E51-F145 HydrophobicContact CG-CB 4.42Å
52I82.8Confident82Confident13 Ų1362.6 Ų62.67%0.06730%0.295CS..Hα-helixtrans-58.3-44.2173.9-67.8161.1000112.3A48 R50 K56 V69 W76 L78A48-I52 WeakPolarHBondContact O-CB 3.39Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 WeakPolarHBondContact O-CG1 3.31Å; A48-I52 PolarHBondContact O-N 2.79Å; R50-I52 VanDerWaalsContact C-N 3.34Å; R50-I52 PolarHBondContact O-N 3.26Å; I52-K56 HydrophobicContact CG2-CD 4.17Å; I52-K56 WeakPolarHBondContact O-CB 3.4Å; I52-K56 VanDerWaalsContact O-CG 3.31Å; I52-K56 WeakPolarHBondContact O-CG 3.03Å; I52-K56 PolarHBondContact O-N 3.12Å; I52-K56 VanDerWaalsContact O-N 3.12Å; I52-V69 HydrophobicContact CD1-CG1 3.77Å; I52-V69 HydrophobicContact CD1-CG2 4.25Å; I52-V69 HydrophobicContact CG1-CG1 4.34Å; I52-V69 HydrophobicContact CG1-CG2 3.94Å; I52-V69 HydrophobicContact CG2-CG2 4.04Å; I52-W76 HydrophobicContact CD1-CE3 4.11Å; I52-W76 HydrophobicContact CD1-CZ3 4.29Å; I52-L78 HydrophobicContact CD1-CD2 3.88Å; I52-L78 HydrophobicContact CG1-CD2 3.48Å; I52-L78 VanDerWaalsContact CG1-CD2 3.48Å
53K83.6Confident83Confident135 Ų13559.1 Ų59.159%0.58727%0.265SS*.Hα-helixtrans-66.2-47.2-179-176.5178177.3-177.80111L49 R50 E51 K56 Q57L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.5Å; L49-K53 PolarHBondContact O-N 3.42Å; R50-K53 PolarHBondContact O-N 2.97Å; R50-K53 VanDerWaalsContact O-N 3.12Å; E51-K53 PolarHBondContact O-N 3.45Å; K53-K56 PolarHBondContact O-N 3.35Å; K53-Q57 WeakPolarHBondContact O-CG 3.36Å; K53-Q57 PolarHBondContact O-N 2.95Å
54L81.2Confident84Confident19 Ų1954.7 Ų54.710%0.09924%0.244CC..Hα-helixtrans-62.8-49.8179-67.2175.9000111.1R50 E51 K56 Q57 L58 V122 A148R50-L54 HydrophobicContact CG-CD1 3.95Å; R50-L54 HydrophobicContact CG-CG 4.47Å; R50-L54 WeakPolarHBondContact O-CG 3.19Å; R50-L54 PolarHBondContact O-N 3.24Å; E51-L54 PolarHBondContact O-N 2.91Å; L54-K56 PolarHBondContact O-N 3.41Å; L54-Q57 PolarHBondContact O-N 2.65Å; L54-L58 HydrophobicContact CB-CD1 4.44Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.18Å; L54-V122 HydrophobicContact CD1-CG1 4.48Å; L54-V122 HydrophobicContact CD2-CG2 3.96Å; L54-A148 HydrophobicContact CD1-CB 3.9Å
55L82.6Confident85Confident10 Ų1056 Ų565%0.05225%0.25CS..Hα-helixtrans-65.2-22.2179.8-69.3167.3000114.3E51 L66 F80 F145E51-L55 HydrophobicContact CG-CD1 3.61Å; E51-L55 HydrophobicContact CG-CG 4.39Å; E51-L55 VanDerWaalsContact O-CB 3.29Å; E51-L55 WeakPolarHBondContact O-CB 3.46Å; E51-L55 WeakPolarHBondContact O-CD1 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.39Å; L55-L66 HydrophobicContact CB-CB 3.86Å; L55-L66 HydrophobicContact CB-CD2 3.73Å; L55-L66 HydrophobicContact CB-CG 4.43Å; L55-L66 HydrophobicContact CD1-CB 4.21Å; L55-L66 HydrophobicContact CD1-CD2 4.09Å; L55-F80 HydrophobicContact CD1-CE1 3.53Å; L55-F80 HydrophobicContact CD1-CZ 3.67Å; L55-F80 HydrophobicContact CD2-CE1 4.18Å; L55-F80 HydrophobicContact CG-CE1 4.49Å; L55-F145 HydrophobicContact CD2-CD2 3.8Å; L55-F145 HydrophobicContact CD2-CE2 4.41Å; L55-F145 HydrophobicContact CD2-CG 4.33Å
56K83.9Confident85.7Confident143 Ų14352.8 Ų52.862%0.62224%0.237SC*.Hα-helixtrans-78.1-23.2171.2-80.5-177.3174.7-171.70113.3I52 K53 L54I52-K56 HydrophobicContact CG2-CD 4.17Å; I52-K56 WeakPolarHBondContact O-CB 3.4Å; I52-K56 VanDerWaalsContact O-CG 3.31Å; I52-K56 WeakPolarHBondContact O-CG 3.03Å; I52-K56 PolarHBondContact O-N 3.12Å; I52-K56 VanDerWaalsContact O-N 3.12Å; K53-K56 PolarHBondContact O-N 3.35Å; L54-K56 PolarHBondContact O-N 3.41Å
57Q84.9Confident86.4Confident127 Ų12751.3 Ų51.359%0.59323%0.234SC*.Hα-helixtrans-98.6-35.3-178.2-65.1-176.7-6800112.2K53 L54K53-Q57 WeakPolarHBondContact O-CG 3.36Å; K53-Q57 PolarHBondContact O-N 2.95Å; L54-Q57 PolarHBondContact O-N 2.65Å
58L87.7Confident87.3Confident11 Ų1152.9 Ų52.96%0.05824%0.241CC..  trans-87.4107.2178.5-61.7176.8000110.7L54 L63 F116 H120 V122 F145L54-L58 HydrophobicContact CB-CD1 4.44Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.18Å; L58-L63 HydrophobicContact CB-CD1 3.97Å; L58-F116 HydrophobicContact CB-CE1 4.13Å; L58-F116 HydrophobicContact CD2-CD1 4.4Å; L58-F116 HydrophobicContact CD2-CE1 3.81Å; L58-H120 HydrophobicContact CD2-CB 3.72Å; L58-V122 HydrophobicContact CD1-CB 4.43Å; L58-V122 HydrophobicContact CD1-CG1 4.27Å; L58-V122 HydrophobicContact CD1-CG2 4.22Å; L58-V122 HydrophobicContact CD2-CG2 4.32Å; L58-F145 HydrophobicContact CD1-CD1 4.12Å; L58-F145 HydrophobicContact CD1-CE1 3.8Å; L58-F145 HydrophobicContact CD1-CZ 4.49Å
59R91.8Very high88Confident183 Ų18355 Ų5569%0.69125%0.254SS*.  trans-127.3114.2170.9-74.8-177.9172.5174-2.9110.2F116R59-F116 VanDerWaalsContact O-CZ 3.25Å; R59-F116 WeakPolarHBondContact O-CZ 3.42Å
60H95.4Very high88.5Confident38 Ų3851.8 Ų51.818%0.17624%0.238CC..  trans-151.8150.9179.7177.4-104.3000109.1N62 L63 F116H60-N62 VanDerWaalsContact C-N 3.29Å; H60-N62 PolarHBondContact ND1-N 3Å; H60-N62 PolarHBondContact O-N 3.12Å; H60-L63 HydrophobicContact CB-CD1 4.09Å; H60-L63 HydrophobicContact CB-CG 4.03Å; H60-L63 PolarHBondContact O-N 2.63Å; H60-F116 HydrophobicContact CB-CB 4.4Å; H60-F116 HydrophobicContact CB-CD1 3.6Å; H60-F116 HydrophobicContact CB-CD2 3.88Å; H60-F116 HydrophobicContact CB-CE1 3.74Å; H60-F116 HydrophobicContact CB-CE2 3.99Å; H60-F116 HydrophobicContact CB-CG 3.68Å; H60-F116 HydrophobicContact CB-CZ 3.94Å; H60-F116 AromaticContact CD2-CD2 3.7Å; H60-F116 AromaticContact CD2-CG 3.89Å; H60-F116 AromaticContact CG-CD2 3.94Å; H60-F116 AromaticContact CG-CG 3.75Å
61E95.5Very high88.9Confident62 Ų6254 Ų5429%0.2925%0.249SC..THydrogen-bonded Turntrans-57.1-40.5-175.858.2-163.8-150.400113.1L63 R112 K141 I304E61-L63 VanDerWaalsContact C-N 3.28Å; E61-L63 PolarHBondContact O-N 3.13Å; E61-R112 IonicContact OE1-CZ 2.59Å; E61-R112 IonicContact OE1-NH1 2.65Å; E61-R112 PolarHBondContact OE1-NH1 3.06Å; E61-R112 IonicContact OE1-NH2 2.78Å; E61-R112 PolarHBondContact OE1-NH2 2.99Å; E61-K141 PolarHBondContact O-NZ 2.89Å; E61-K141 VanDerWaalsContact O-NZ 3.11Å; E61-I304 HydrophobicContact CB-CD1 3.71Å; E61-I304 HydrophobicContact CB-CG1 4.44Å; E61-I304 HydrophobicContact CG-CD1 3.83Å; E61-I304 WeakPolarHBondContact OE2-CD1 3.11Å
62N97.4Very high89.2Confident0 Ų057.6 Ų57.60%027%0.265CS..THydrogen-bonded Turntrans-86.318.5178.1-59.4124.8000115H60 Q109 R112 V140 K141 L142H60-N62 VanDerWaalsContact C-N 3.29Å; H60-N62 PolarHBondContact ND1-N 3Å; H60-N62 PolarHBondContact O-N 3.12Å; N62-Q109 PolarHBondContact ND2-OE1 3.07Å; N62-R112 PolarHBondContact OD1-NH1 3.21Å; N62-R112 VanDerWaalsContact OD1-NH1 3.07Å; N62-V140 WeakPolarHBondContact CA-O 3.44Å; N62-V140 WeakPolarHBondContact CB-O 3.44Å; N62-V140 PolarHBondContact ND2-O 3.16Å; N62-K141 WeakPolarHBondContact O-CA 3.31Å; N62-L142 PolarHBondContact O-N 2.84Å
63L95.9Very high89.2Confident4 Ų465.9 Ų65.92%0.02130%0.301CS..BIsolated β-bridgetrans-115.4154.5169.9-60.5-174.9000110.6L58 H60 E61 F116 K141 L142 F145L58-L63 HydrophobicContact CB-CD1 3.97Å; H60-L63 HydrophobicContact CB-CD1 4.09Å; H60-L63 HydrophobicContact CB-CG 4.03Å; H60-L63 PolarHBondContact O-N 2.63Å; E61-L63 VanDerWaalsContact C-N 3.28Å; E61-L63 PolarHBondContact O-N 3.13Å; L63-F116 HydrophobicContact CD1-CD1 3.88Å; L63-F116 HydrophobicContact CD1-CE1 4.02Å; L63-K141 PolarHBondContact O-NZ 2.87Å; L63-L142 HydrophobicContact CD2-CB 3.85Å; L63-L142 HydrophobicContact CD2-CD1 4.06Å; L63-L142 HydrophobicContact CD2-CG 4.32Å; L63-F145 HydrophobicContact CD1-CZ 4.24Å; L63-F145 HydrophobicContact CD2-CE2 4.27Å; L63-F145 HydrophobicContact CD2-CZ 3.76Å
64V94.1Very high89Confident8 Ų864.3 Ų64.35%0.04829%0.294CS..  trans-75.5128.2172.273.60000111.1F80 E81 L133 L142 C143V64-F80 HydrophobicContact CG1-CD1 3.81Å; V64-F80 HydrophobicContact CG1-CE1 3.94Å; V64-F80 HydrophobicContact CG2-CB 4.04Å; V64-F80 HydrophobicContact CG2-CD1 3.98Å; V64-F80 HydrophobicContact CG2-CG 4.37Å; V64-E81 HydrophobicContact CG2-CG 3.83Å; V64-L133 HydrophobicContact CB-CD1 4.46Å; V64-L133 HydrophobicContact CG2-CD1 4.18Å; V64-L142 WeakPolarHBondContact CG1-O 3.47Å; V64-L142 PolarHBondContact N-O 2.65Å; V64-C143 HydrophobicContact CB-CB 4.15Å; V64-C143 HydrophobicContact CG1-CB 3.6Å
65N91.1Very high88.9Confident53 Ų5368.3 Ų68.328%0.28331%0.308SS..  trans-81.3121.6179.4-73-84.4000111.4L67 F80 E81N65-L67 HydrophobicContact CB-CD2 4.38Å; N65-L67 PolarHBondContact O-N 3.4Å; N65-F80 WeakPolarHBondContact O-CA 3.45Å; N65-E81 HydrophobicContact CB-CG 4.34Å; N65-E81 WeakPolarHBondContact CB-OE1 3.31Å; N65-E81 PolarHBondContact N-OE1 2.65Å; N65-E81 PolarHBondContact ND2-OE1 3.32Å; N65-E81 PolarHBondContact O-N 2.57Å; N65-E81 VanDerWaalsContact O-N 3.1Å
66L92.4Very high89Confident23 Ų2370.4 Ų70.412%0.1232%0.315CS..EExtended strand (participates in β ladder)trans-72.1113162.5-179.566.1000109.1L55 E68 V69 L78 F80L55-L66 HydrophobicContact CB-CB 3.86Å; L55-L66 HydrophobicContact CB-CD2 3.73Å; L55-L66 HydrophobicContact CB-CG 4.43Å; L55-L66 HydrophobicContact CD1-CB 4.21Å; L55-L66 HydrophobicContact CD1-CD2 4.09Å; L66-E68 WeakPolarHBondContact CD1-O 3.28Å; L66-V69 HydrophobicContact CD1-CG2 4.41Å; L66-V69 HydrophobicContact CD2-CG2 3.96Å; L66-V69 HydrophobicContact CG-CG2 4.48Å; L66-L78 HydrophobicContact CD1-CB 3.93Å; L66-L78 HydrophobicContact CD1-CD2 4.32Å; L66-F80 HydrophobicContact CB-CD1 4.34Å; L66-F80 HydrophobicContact CB-CE1 4.25Å; L66-F80 HydrophobicContact CD1-CD1 4.39Å; L66-F80 HydrophobicContact CD1-CE1 4.18Å; L66-F80 HydrophobicContact CD1-CZ 4.29Å
67L91.7Very high89.3Confident79 Ų7965.5 Ų65.541%0.41429%0.293SS..EExtended strand (participates in β ladder)trans-84.3-48.7-178.4-56.6179000111.5V30 N65 V79V30-L67 HydrophobicContact CG1-CD1 3.79Å; N65-L67 HydrophobicContact CB-CD2 4.38Å; N65-L67 PolarHBondContact O-N 3.4Å; L67-V79 WeakPolarHBondContact CA-O 3.31Å; L67-V79 WeakPolarHBondContact CB-O 3.22Å; L67-V79 PolarHBondContact N-O 3.3Å
68E90.8Very high89.6Confident52 Ų5259.4 Ų59.424%0.24326%0.264CS..EExtended strand (participates in β ladder)trans-151.7164.4175.368.7173.2-124.200113K3 Y4 L66 C70 V79K3-E68 VanDerWaalsContact CE-OE1 3.3Å; K3-E68 WeakPolarHBondContact CE-OE1 3.4Å; K3-E68 WeakPolarHBondContact CE-OE2 3.22Å; K3-E68 IonicContact NZ-OE1 2.9Å; K3-E68 IonicContact NZ-OE2 2.74Å; K3-E68 PolarHBondContact NZ-OE2 3.13Å; Y4-E68 WeakPolarHBondContact CE2-OE1 3.13Å; Y4-E68 PolarHBondContact OH-OE1 2.97Å; Y4-E68 PolarHBondContact OH-OE2 3.1Å; L66-E68 WeakPolarHBondContact CD1-O 3.28Å; E68-C70 PolarHBondContact OE1-SG 3.32Å; E68-V79 HydrophobicContact CG-CB 3.65Å; E68-V79 HydrophobicContact CG-CG1 4.25Å; E68-V79 HydrophobicContact CG-CG2 3.68Å; E68-V79 PolarHBondContact N-O 3.19Å; E68-V79 PolarHBondContact O-N 3.4Å
69V90.9Very high89.8Confident48 Ų4858.9 Ų58.929%0.29126%0.262SS..EExtended strand (participates in β ladder)trans-116.4118.8172.9-179.20000108I52 L66 W76 L78I52-V69 HydrophobicContact CD1-CG1 3.77Å; I52-V69 HydrophobicContact CD1-CG2 4.25Å; I52-V69 HydrophobicContact CG1-CG1 4.34Å; I52-V69 HydrophobicContact CG1-CG2 3.94Å; I52-V69 HydrophobicContact CG2-CG2 4.04Å; L66-V69 HydrophobicContact CD1-CG2 4.41Å; L66-V69 HydrophobicContact CD2-CG2 3.96Å; L66-V69 HydrophobicContact CG-CG2 4.48Å; V69-W76 HydrophobicContact CG1-CE3 3.57Å; V69-W76 HydrophobicContact CG1-CZ3 3.64Å; V69-L78 HydrophobicContact CG1-CD2 4.13Å; V69-L78 HydrophobicContact CG2-CD2 4.04Å
70C89.6Confident89.9Confident15 Ų1550.9 Ų50.910%0.10123%0.232CC..EExtended strand (participates in β ladder)trans-106.8148.6178.5-109.10000110.5M1 E68 Y77M1-C70 HydrophobicContact CG-CB 3.86Å; M1-C70 PolarHBondContact N-SG 3.42Å; M1-C70 HydrophobicContact SD-CB 3.66Å; E68-C70 PolarHBondContact OE1-SG 3.32Å; C70-Y77 PolarHBondContact N-O 3.42Å; C70-Y77 PolarHBondContact O-N 3.39Å
71K85.2Confident89.8Confident108 Ų10850.1 Ų50.147%0.4723%0.228SC..EExtended strand (participates in β ladder)trans-129.6134.8171.5179.7171.5170.6170.50109.7E39 R75 W76E39-K71 WeakPolarHBondContact OE1-CE 3.48Å; E39-K71 IonicContact OE1-NZ 2.86Å; E39-K71 PolarHBondContact OE1-NZ 3.37Å; E39-K71 WeakPolarHBondContact OE2-CE 3.21Å; E39-K71 IonicContact OE2-NZ 3.33Å; E39-K71 PolarHBondContact OE2-NZ 3.29Å; K71-R75 WeakPolarHBondContact CA-O 3.27Å; K71-W76 HydrophobicContact CD-CH2 4.44Å; K71-W76 HydrophobicContact CD-CZ2 4.13Å
72K84.1Confident89.8Confident78 Ų7848.5 Ų48.534%0.33922%0.22SC..EExtended strand (participates in β ladder)trans-152.9129.8175.6-177.6161.7179.5166.10110.4M1 E2 K74 R75 Y77M1-K72 HydrophobicContact CB-CB 4.48Å; M1-K72 HydrophobicContact CB-CD 3.97Å; M1-K72 HydrophobicContact CG-CB 4.18Å; M1-K72 HydrophobicContact CG-CD 4.5Å; E2-K72 IonicContact OE1-NZ 2.7Å; E2-K72 PolarHBondContact OE1-NZ 2.86Å; K72-K74 PolarHBondContact O-N 3.5Å; K72-R75 PolarHBondContact N-O 3.49Å; K72-R75 PolarHBondContact O-N 3.48Å; K72-R75 VanDerWaalsContact O-N 3.08Å; K72-Y77 HydrophobicContact CB-CE2 3.91Å
73K82.8Confident89.7Confident188 Ų18849.4 Ų49.482%0.81723%0.226SC*.THydrogen-bonded Turntrans44.663.9-179.4-64.1-170.1175.1-169.50112.8R75K73-R75 PolarHBondContact O-N 2.85Å
74K80Confident89.6Confident102 Ų10252.2 Ų52.244%0.44324%0.241SC..THydrogen-bonded Turntrans57.6-7.5-174.9-67.7-159.9-175.9-172.60117.9S38 E39 D40 K72S38-K74 WeakPolarHBondContact OG-CD 3.31Å; E39-K74 WeakPolarHBondContact CB-O 3.46Å; E39-K74 HydrophobicContact CG-CB 4.13Å; E39-K74 HydrophobicContact CG-CG 4.48Å; E39-K74 WeakPolarHBondContact CG-O 3.41Å; E39-K74 PolarHBondContact N-O 2.98Å; D40-K74 IonicContact OD1-NZ 3.57Å; D40-K74 PolarHBondContact OD1-NZ 3.31Å; D40-K74 WeakPolarHBondContact OD2-CD 3.33Å; D40-K74 IonicContact OD2-NZ 2.65Å; D40-K74 PolarHBondContact OD2-NZ 3.11Å; K72-K74 PolarHBondContact O-N 3.5Å
75R80.1Confident89.6Confident102 Ų10254.3 Ų54.339%0.38525%0.25SS..EExtended strand (participates in β ladder)trans-93143.9178.2-73-177.8166.6124.1-4112.8L36 K71 K72 K73 Y77L36-R75 PolarHBondContact O-NE 3.19Å; L36-R75 PolarHBondContact O-NH2 3.02Å; K71-R75 WeakPolarHBondContact CA-O 3.27Å; K72-R75 PolarHBondContact N-O 3.49Å; K72-R75 PolarHBondContact O-N 3.48Å; K72-R75 VanDerWaalsContact O-N 3.08Å; K73-R75 PolarHBondContact O-N 2.85Å; R75-Y77 HydrophobicContact CB-CE2 3.8Å; R75-Y77 WeakPolarHBondContact O-CD2 3.35Å; R75-Y77 WeakPolarHBondContact O-CE2 3.41Å
76W84.2Confident89.9Confident54 Ų5453 Ų5321%0.20524%0.244CC..EExtended strand (participates in β ladder)trans-94.1143.3173.5-6886.4000110.8F35 E39 I52 V69 K71F35-W76 HydrophobicContact CD2-CB 4.03Å; F35-W76 PolarHBondContact N-O 2.89Å; E39-W76 PolarHBondContact OE2-NE1 2.88Å; I52-W76 HydrophobicContact CD1-CE3 4.11Å; I52-W76 HydrophobicContact CD1-CZ3 4.29Å; V69-W76 HydrophobicContact CG1-CE3 3.57Å; V69-W76 HydrophobicContact CG1-CZ3 3.64Å; K71-W76 HydrophobicContact CD-CH2 4.44Å; K71-W76 HydrophobicContact CD-CZ2 4.13Å
77Y89.4Confident90.2Very high40 Ų4052 Ų5216%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-134115.7-178.5-62.6-101.3000108.2M1 V32 K33 K34 C70 K72 R75M1-Y77 HydrophobicContact CE-CD1 3.71Å; M1-Y77 HydrophobicContact CE-CE1 4.02Å; M1-Y77 HydrophobicContact CE-CG 4.24Å; M1-Y77 HydrophobicContact CG-CD1 4.44Å; M1-Y77 HydrophobicContact CG-CD2 4.1Å; M1-Y77 HydrophobicContact CG-CE2 4.42Å; M1-Y77 HydrophobicContact CG-CG 4.13Å; M1-Y77 HydrophobicContact SD-CD1 3.85Å; M1-Y77 HydrophobicContact SD-CD2 4.32Å; M1-Y77 HydrophobicContact SD-CG 3.74Å; V32-Y77 HydrophobicContact CG1-CD1 4.05Å; K33-Y77 WeakPolarHBondContact O-CA 3.4Å; K34-Y77 HydrophobicContact CB-CD1 3.9Å; K34-Y77 HydrophobicContact CB-CE1 3.91Å; K34-Y77 HydrophobicContact CD-CE1 4.35Å; K34-Y77 HydrophobicContact CG-CD1 4.08Å; K34-Y77 HydrophobicContact CG-CE1 3.62Å; C70-Y77 PolarHBondContact N-O 3.42Å; C70-Y77 PolarHBondContact O-N 3.39Å; K72-Y77 HydrophobicContact CB-CE2 3.91Å; R75-Y77 HydrophobicContact CB-CE2 3.8Å; R75-Y77 WeakPolarHBondContact O-CD2 3.35Å; R75-Y77 WeakPolarHBondContact O-CE2 3.41Å
78L90.8Very high90.4Very high0 Ų051 Ų510%023%0.234CC..EExtended strand (participates in β ladder)trans-94125.2174.7-55.7-175.6000108.8V32 K33 F35 E51 I52 L66 V69 F80V32-L78 CarbonylContact C-O 3.59Å; V32-L78 WeakPolarHBondContact CA-O 3.4Å; K33-L78 HydrophobicContact CB-CB 4.42Å; K33-L78 PolarHBondContact N-O 2.7Å; K33-L78 PolarHBondContact O-N 2.73Å; F35-L78 HydrophobicContact CE2-CD1 3.95Å; F35-L78 HydrophobicContact CE2-CG 3.98Å; F35-L78 HydrophobicContact CZ-CD1 4.12Å; E51-L78 HydrophobicContact CG-CD1 3.95Å; I52-L78 HydrophobicContact CD1-CD2 3.88Å; I52-L78 HydrophobicContact CG1-CD2 3.48Å; I52-L78 VanDerWaalsContact CG1-CD2 3.48Å; L66-L78 HydrophobicContact CD1-CB 3.93Å; L66-L78 HydrophobicContact CD1-CD2 4.32Å; V69-L78 HydrophobicContact CG1-CD2 4.13Å; V69-L78 HydrophobicContact CG2-CD2 4.04Å; L78-F80 HydrophobicContact CB-CD2 4.19Å; L78-F80 HydrophobicContact CB-CE2 3.47Å; L78-F80 VanDerWaalsContact CB-CE2 3.47Å; L78-F80 HydrophobicContact CB-CZ 3.99Å; L78-F80 HydrophobicContact CD1-CE2 4.28Å; L78-F80 HydrophobicContact CD1-CZ 4.12Å
79V93.3Very high90.7Very high0 Ų052.3 Ų52.30%024%0.242CC..EExtended strand (participates in β ladder)trans-107.2115.4-179.1-174.10000109Y4 V30 V32 L67 E68Y4-V79 HydrophobicContact CE1-CG1 4.21Å; Y4-V79 HydrophobicContact CE2-CG1 4.49Å; Y4-V79 HydrophobicContact CE2-CG2 4.02Å; V30-V79 HydrophobicContact CB-CG1 3.76Å; V30-V79 HydrophobicContact CG1-CG1 4.06Å; V30-V79 HydrophobicContact CG2-CG1 3.76Å; V32-V79 HydrophobicContact CG1-CG2 4.42Å; V32-V79 HydrophobicContact CG2-CG1 4.31Å; V32-V79 HydrophobicContact CG2-CG2 4.21Å; L67-V79 WeakPolarHBondContact CA-O 3.31Å; L67-V79 WeakPolarHBondContact CB-O 3.22Å; L67-V79 PolarHBondContact N-O 3.3Å; E68-V79 HydrophobicContact CG-CB 3.65Å; E68-V79 HydrophobicContact CG-CG1 4.25Å; E68-V79 HydrophobicContact CG-CG2 3.68Å; E68-V79 PolarHBondContact N-O 3.19Å; E68-V79 PolarHBondContact O-N 3.4Å
80F94Very high91.1Very high15 Ų1550.6 Ų50.67%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-108.9163-178-64.1-88.6000111.6V30 A31 K33 L55 V64 N65 L66 L78V30-F80 WeakPolarHBondContact CA-O 3.29Å; V30-F80 VanDerWaalsContact CB-O 3.29Å; V30-F80 WeakPolarHBondContact CB-O 3.45Å; A31-F80 HydrophobicContact CB-CB 4.39Å; A31-F80 PolarHBondContact N-O 3.1Å; A31-F80 VanDerWaalsContact N-O 3.07Å; A31-F80 PolarHBondContact O-N 3.07Å; K33-F80 HydrophobicContact CB-CE2 4.02Å; K33-F80 HydrophobicContact CD-CE2 4.41Å; L55-F80 HydrophobicContact CD1-CE1 3.53Å; L55-F80 HydrophobicContact CD1-CZ 3.67Å; L55-F80 HydrophobicContact CD2-CE1 4.18Å; L55-F80 HydrophobicContact CG-CE1 4.49Å; V64-F80 HydrophobicContact CG1-CD1 3.81Å; V64-F80 HydrophobicContact CG1-CE1 3.94Å; V64-F80 HydrophobicContact CG2-CB 4.04Å; V64-F80 HydrophobicContact CG2-CD1 3.98Å; V64-F80 HydrophobicContact CG2-CG 4.37Å; N65-F80 WeakPolarHBondContact O-CA 3.45Å; L66-F80 HydrophobicContact CB-CD1 4.34Å; L66-F80 HydrophobicContact CB-CE1 4.25Å; L66-F80 HydrophobicContact CD1-CD1 4.39Å; L66-F80 HydrophobicContact CD1-CE1 4.18Å; L66-F80 HydrophobicContact CD1-CZ 4.29Å; L78-F80 HydrophobicContact CB-CD2 4.19Å; L78-F80 HydrophobicContact CB-CE2 3.47Å; L78-F80 VanDerWaalsContact CB-CE2 3.47Å; L78-F80 HydrophobicContact CB-CZ 3.99Å; L78-F80 HydrophobicContact CD1-CE2 4.28Å; L78-F80 HydrophobicContact CD1-CZ 4.12Å
81E93.4Very high91.4Very high22 Ų2250.6 Ų50.610%0.10323%0.23CC..EExtended strand (participates in β ladder)trans-56.1139161.165.8-172.5141.900110.5V64 N65 V83 K141V64-E81 HydrophobicContact CG2-CG 3.83Å; N65-E81 HydrophobicContact CB-CG 4.34Å; N65-E81 WeakPolarHBondContact CB-OE1 3.31Å; N65-E81 PolarHBondContact N-OE1 2.65Å; N65-E81 PolarHBondContact ND2-OE1 3.32Å; N65-E81 PolarHBondContact O-N 2.57Å; N65-E81 VanDerWaalsContact O-N 3.1Å; E81-V83 HydrophobicContact CG-CG2 4.15Å; E81-K141 VanDerWaalsContact OE1-CE 3.27Å; E81-K141 WeakPolarHBondContact OE1-CE 3.34Å; E81-K141 IonicContact OE1-NZ 2.63Å; E81-K141 PolarHBondContact OE1-NZ 2.8Å; E81-K141 WeakPolarHBondContact OE2-CE 3.19Å; E81-K141 IonicContact OE2-NZ 3.62Å; E81-K141 PolarHBondContact OE2-NZ 2.9Å
82F94.5Very high92Very high28 Ų2852.1 Ų52.112%0.12324%0.239CC..PPolyproline II helixtrans-82.7118.2171.8-178-93.3000109.2V10 K20 I29 A31V10-F82 HydrophobicContact CG2-CE2 4.1Å; K20-F82 HydrophobicContact CB-CE2 4.47Å; K20-F82 HydrophobicContact CD-CD2 4.12Å; K20-F82 HydrophobicContact CD-CE1 4.38Å; K20-F82 HydrophobicContact CD-CE2 3.59Å; K20-F82 HydrophobicContact CD-CZ 3.78Å; K20-F82 VanDerWaalsContact CE-CE1 3.41Å; K20-F82 HydrophobicContact CG-CD2 3.89Å; K20-F82 HydrophobicContact CG-CE2 3.83Å; K20-F82 HydrophobicContact CG-CZ 4.46Å; I29-F82 HydrophobicContact CB-CB 4.26Å; I29-F82 HydrophobicContact CG2-CB 3.77Å; I29-F82 HydrophobicContact CG2-CD1 3.97Å; I29-F82 HydrophobicContact CG2-CD2 4.32Å; I29-F82 HydrophobicContact CG2-CG 3.72Å; A31-F82 HydrophobicContact CB-CD2 4.37Å
83V95Very high92.6Very high18 Ų1851.5 Ų51.511%0.10925%0.249CC..PPolyproline II helixtrans-100.6152.5171.8-170.10000108.1E81 L133 V134 K141E81-V83 HydrophobicContact CG-CG2 4.15Å; V83-L133 HydrophobicContact CB-CB 3.73Å; V83-L133 HydrophobicContact CB-CD1 3.94Å; V83-L133 HydrophobicContact CB-CG 4.46Å; V83-L133 HydrophobicContact CG1-CB 3.54Å; V83-L133 HydrophobicContact CG2-CB 4.17Å; V83-L133 HydrophobicContact CG2-CD1 3.86Å; V83-V134 VanDerWaalsContact CG1-O 3.32Å; V83-V134 WeakPolarHBondContact CG1-O 3.33Å; V83-K141 HydrophobicContact CG2-CB 4.31Å; V83-K141 HydrophobicContact CG2-CD 3.61Å
84D94.1Very high93.3Very high64 Ų6446.9 Ų46.934%0.34223%0.229SC..SBendtrans-74.1-50.7-156.5-169.371.2000114.3V134 Q136D84-V134 PolarHBondContact N-O 2.62Å; D84-Q136 HydrophobicContact CB-CG 3.78Å; D84-Q136 WeakPolarHBondContact OD1-CG 3.47Å; D84-Q136 PolarHBondContact OD1-NE2 3.34Å
85H95.1Very high94Very high52 Ų5246.2 Ų46.224%0.24124%0.235CC..EExtended strand (participates in β ladder)trans-148.2-175.8179.154.6-86.4000109.9D89 L133 V134H85-D89 HydrophobicContact CB-CB 4.13Å; H85-L133 CarbonylContact O-C 3.59Å; H85-L133 WeakPolarHBondContact O-CA 3.29Å; H85-V134 PolarHBondContact N-O 2.97Å; H85-V134 PolarHBondContact O-N 2.58Å
86T97.2Very high94.7Very high26 Ų2648.1 Ų48.116%0.1625%0.253CS..EExtended strand (participates in β ladder)trans-116.4169.7177.373.90000111.4L88 D89 D90 I132 L133T86-L88 PolarHBondContact O-N 3.29Å; T86-L88 WeakPolarHBondContact OG1-CB 3.28Å; T86-L88 PolarHBondContact OG1-N 3.11Å; T86-L88 VanDerWaalsContact OG1-N 3.11Å; T86-D89 WeakPolarHBondContact CA-OD2 3.4Å; T86-D89 VanDerWaalsContact CB-OD2 3.28Å; T86-D89 WeakPolarHBondContact CB-OD2 3.49Å; T86-D89 WeakPolarHBondContact CG2-OD2 3.4Å; T86-D89 PolarHBondContact N-OD2 3.07Å; T86-D89 PolarHBondContact O-N 3.05Å; T86-D89 PolarHBondContact OG1-N 3.4Å; T86-D89 PolarHBondContact OG1-OD2 2.75Å; T86-D90 PolarHBondContact O-N 3.35Å; T86-I132 CarbonylContact C-O 3.28Å; T86-I132 WeakPolarHBondContact CA-O 3.3Å; T86-L133 HydrophobicContact CG2-CD2 3.78Å
87V97.9Very high95.4Very high0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-67.7-21.8169.2176.70000111.6D90 L91 L98 Y106 P129 I132 V134 M195V87-D90 PolarHBondContact O-N 3.45Å; V87-L91 HydrophobicContact CG1-CD1 4.24Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.43Å; V87-L91 VanDerWaalsContact O-CG 3.3Å; V87-L91 WeakPolarHBondContact O-CG 3.4Å; V87-L91 PolarHBondContact O-N 3.26Å; V87-L98 HydrophobicContact CG1-CD1 4.47Å; V87-Y106 HydrophobicContact CG2-CD2 3.98Å; V87-Y106 HydrophobicContact CG2-CE2 4.18Å; V87-P129 HydrophobicContact CB-CB 4.29Å; V87-P129 HydrophobicContact CG1-CB 4.28Å; V87-P129 PolarHBondContact N-O 3.05Å; V87-I132 HydrophobicContact CB-CB 4.32Å; V87-I132 HydrophobicContact CB-CG2 4.41Å; V87-I132 HydrophobicContact CG2-CB 3.96Å; V87-I132 HydrophobicContact CG2-CG2 3.54Å; V87-I132 PolarHBondContact N-O 2.79Å; V87-V134 HydrophobicContact CG2-CG2 3.71Å; V87-M195 HydrophobicContact CG1-CE 3.79Å; V87-M195 HydrophobicContact CG1-CG 4.27Å; V87-M195 HydrophobicContact CG1-SD 4.38Å; V87-M195 HydrophobicContact CG2-CE 4.45Å
88L96.5Very high95.8Very high60 Ų6045 Ų4531%0.31425%0.246SC..Hα-helixtrans-66.4-45.9171.6-17860.8000111.4T86 D90 L91 E92 P129 E130T86-L88 PolarHBondContact O-N 3.29Å; T86-L88 WeakPolarHBondContact OG1-CB 3.28Å; T86-L88 PolarHBondContact OG1-N 3.11Å; T86-L88 VanDerWaalsContact OG1-N 3.11Å; L88-D90 PolarHBondContact O-N 2.93Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 3.46Å; L88-L91 VanDerWaalsContact O-N 3.08Å; L88-E92 HydrophobicContact CD1-CG 4.39Å; L88-E92 HydrophobicContact CG-CG 4.5Å; L88-E92 PolarHBondContact O-N 3.4Å; L88-P129 HydrophobicContact CB-CB 4Å; L88-E130 HydrophobicContact CD2-CG 3.74Å
89D96.9Very high96.1Very high78 Ų7848.6 Ų48.642%0.41727%0.266SS..Hα-helixtrans-57.7-38.4176.3-57.3-90.8000111.3H85 T86 E92 A93H85-D89 HydrophobicContact CB-CB 4.13Å; T86-D89 WeakPolarHBondContact CA-OD2 3.4Å; T86-D89 VanDerWaalsContact CB-OD2 3.28Å; T86-D89 WeakPolarHBondContact CB-OD2 3.49Å; T86-D89 WeakPolarHBondContact CG2-OD2 3.4Å; T86-D89 PolarHBondContact N-OD2 3.07Å; T86-D89 PolarHBondContact O-N 3.05Å; T86-D89 PolarHBondContact OG1-N 3.4Å; T86-D89 PolarHBondContact OG1-OD2 2.75Å; D89-E92 PolarHBondContact O-N 2.81Å; D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.45Å
90D98Very high96.3Very high13 Ų1352.8 Ų52.87%0.0728%0.282CS..Hα-helixtrans-70.7-36.4178.3-144.928.7000111.3T86 V87 L88 A93 F94 L98 R102 Y106T86-D90 PolarHBondContact O-N 3.35Å; V87-D90 PolarHBondContact O-N 3.45Å; L88-D90 PolarHBondContact O-N 2.93Å; D90-A93 PolarHBondContact O-N 3.5Å; D90-F94 WeakPolarHBondContact O-CB 3.46Å; D90-F94 VanDerWaalsContact O-CD2 3.25Å; D90-F94 WeakPolarHBondContact O-CD2 3.3Å; D90-F94 PolarHBondContact O-N 3.13Å; D90-F94 WeakPolarHBondContact OD1-CE2 3.42Å; D90-L98 HydrophobicContact CB-CD1 4.5Å; D90-L98 HydrophobicContact CB-CD2 4.04Å; D90-L98 VanDerWaalsContact OD2-CD2 3.28Å; D90-L98 WeakPolarHBondContact OD2-CD2 3.21Å; D90-R102 IonicContact OD1-CZ 3.11Å; D90-R102 IonicContact OD1-NH1 3.86Å; D90-R102 PolarHBondContact OD1-NH1 2.74Å; D90-R102 WeakPolarHBondContact OD2-CD 3.26Å; D90-R102 IonicContact OD2-CZ 3.67Å; D90-R102 IonicContact OD2-NE 2.9Å; D90-R102 IonicContact OD2-NH1 3.75Å; D90-R102 PolarHBondContact OD2-NH1 2.86Å; D90-Y106 WeakPolarHBondContact OD2-CE2 3.18Å; D90-Y106 PolarHBondContact OD2-OH 2.92Å
91L97.6Very high96.4Very high14 Ų1455 Ų557%0.07330%0.3CS..Hα-helixtrans-68.3-38.8172.4-75.3168.7000112.8V87 L88 A93 F94 P129 E194V87-L91 HydrophobicContact CG1-CD1 4.24Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.43Å; V87-L91 VanDerWaalsContact O-CG 3.3Å; V87-L91 WeakPolarHBondContact O-CG 3.4Å; V87-L91 PolarHBondContact O-N 3.26Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 3.46Å; L88-L91 VanDerWaalsContact O-N 3.08Å; L91-A93 VanDerWaalsContact C-N 3.35Å; L91-F94 CarbonylContact O-C 3.59Å; L91-F94 PolarHBondContact O-N 3.12Å; L91-P129 HydrophobicContact CD1-CB 3.9Å; L91-P129 HydrophobicContact CD1-CG 3.8Å; L91-E194 HydrophobicContact CD1-CG 4.07Å
92E96.6Very high96.6Very high140 Ų14057 Ų5765%0.65431%0.306SS*.Hα-helixtrans-66.4-36.7174.6-71.7-174.3-173.900111.8L88 D89L88-E92 HydrophobicContact CD1-CG 4.39Å; L88-E92 HydrophobicContact CG-CG 4.5Å; L88-E92 PolarHBondContact O-N 3.4Å; D89-E92 PolarHBondContact O-N 2.81Å
93A97.5Very high96.8Very high66 Ų6655.7 Ų55.755%0.54530%0.301SS..Hα-helixtrans-70.9-31173.500000113.3D89 D90 L91 P95D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.45Å; D90-A93 PolarHBondContact O-N 3.5Å; L91-A93 VanDerWaalsContact C-N 3.35Å; A93-P95 VanDerWaalsContact C-CD 3.46Å; A93-P95 WeakPolarHBondContact O-CD 3.32Å
94F97.2Very high97Very high91 Ų9155.9 Ų55.940%0.39930%0.299SS..  trans-12369.7-178.2-61.5-72.6000111.9D90 L91 N96 G97 L98D90-F94 WeakPolarHBondContact O-CB 3.46Å; D90-F94 VanDerWaalsContact O-CD2 3.25Å; D90-F94 WeakPolarHBondContact O-CD2 3.3Å; D90-F94 PolarHBondContact O-N 3.13Å; D90-F94 WeakPolarHBondContact OD1-CE2 3.42Å; L91-F94 CarbonylContact O-C 3.59Å; L91-F94 PolarHBondContact O-N 3.12Å; F94-N96 PolarHBondContact O-N 3.33Å; F94-G97 PolarHBondContact O-N 3.4Å; F94-L98 HydrophobicContact CB-CD2 3.88Å; F94-L98 HydrophobicContact CD2-CD2 3.61Å; F94-L98 HydrophobicContact CG-CD2 4.05Å
95P94.3Very high97.2Very high87 Ų8754.9 Ų54.957%0.56529%0.292SS*.THydrogen-bonded Turntrans-70.69-170.929.9-38.5000115.6A93A93-P95 VanDerWaalsContact C-CD 3.46Å; A93-P95 WeakPolarHBondContact O-CD 3.32Å
96N96.2Very high97.4Very high143 Ų14353 Ų5377%0.76528%0.283SS*.THydrogen-bonded Turntrans-112.811.1170.4-61.4-87.2000111.9F94 T197F94-N96 PolarHBondContact O-N 3.33Å; N96-T197 VanDerWaalsContact C-C 3.43Å; N96-T197 CarbonylContact C-O 3.58Å; N96-T197 VanDerWaalsContact C-O 3.27Å; N96-T197 CarbonylContact O-C 3.16Å
97G97.1Very high97.4Very high17 Ų1751.8 Ų51.818%0.17528%0.275CS..  trans96.7159.9-172.600000113.5F94F94-G97 PolarHBondContact O-N 3.4Å
98L98.3Very high97.5Very high10 Ų1052.4 Ų52.45%0.05228%0.278CS..  trans-84.5160.7178.1-59.8172.5000111.1V87 D90 F94 V103 Y106 M195V87-L98 HydrophobicContact CG1-CD1 4.47Å; D90-L98 HydrophobicContact CB-CD1 4.5Å; D90-L98 HydrophobicContact CB-CD2 4.04Å; D90-L98 VanDerWaalsContact OD2-CD2 3.28Å; D90-L98 WeakPolarHBondContact OD2-CD2 3.21Å; F94-L98 HydrophobicContact CB-CD2 3.88Å; F94-L98 HydrophobicContact CD2-CD2 3.61Å; F94-L98 HydrophobicContact CG-CD2 4.05Å; L98-V103 HydrophobicContact CB-CG2 3.66Å; L98-Y106 HydrophobicContact CD1-CD2 4.12Å; L98-Y106 HydrophobicContact CD1-CE2 3.96Å; L98-M195 WeakPolarHBondContact CB-O 3.09Å; L98-M195 PolarHBondContact N-O 3.22Å
99D97.2Very high97.6Very high76 Ų7649.6 Ų49.641%0.40626%0.263SS..  trans-64.7142176.973-93.1000111.9S101 R102 V103D99-S101 PolarHBondContact O-N 3.42Å; D99-S101 WeakPolarHBondContact OD2-CB 3.45Å; D99-S101 PolarHBondContact OD2-N 3.06Å; D99-R102 VanDerWaalsContact CG-CB 3.49Å; D99-R102 WeakPolarHBondContact O-CB 3.38Å; D99-R102 PolarHBondContact O-N 2.99Å; D99-R102 WeakPolarHBondContact OD1-CB 3.44Å; D99-R102 IonicContact OD1-CZ 2.79Å; D99-R102 IonicContact OD1-NE 2.7Å; D99-R102 PolarHBondContact OD1-NE 2.77Å; D99-R102 IonicContact OD1-NH2 2.82Å; D99-R102 WeakPolarHBondContact OD2-CB 2.92Å; D99-R102 PolarHBondContact OD2-N 3.1Å; D99-V103 PolarHBondContact O-N 3.12Å
100Y96.9Very high97.7Very high89 Ų8945.9 Ų45.935%0.34924%0.243SC..Hα-helixtrans-54.9-32.9-174.5-173.8-92.5000113.3R104 L196 S257 A260 F286Y100-R104 WeakPolarHBondContact O-CB 3.41Å; Y100-R104 PolarHBondContact O-N 3.25Å; Y100-R104 VanDerWaalsContact O-N 3.08Å; Y100-L196 HydrophobicContact CD2-CD2 3.98Å; Y100-S257 WeakPolarHBondContact CE2-OG 3.33Å; Y100-S257 PolarHBondContact OH-OG 3.32Å; Y100-A260 HydrophobicContact CE2-CB 4.46Å; Y100-F286 HydrophobicContact CE1-CE2 4.45Å; Y100-F286 HydrophobicContact CE2-CD2 4.43Å; Y100-F286 AromaticContact CE2-CE2 3.67Å; Y100-F286 HydrophobicContact CE2-CE2 3.67Å; Y100-F286 AromaticContact CZ-CE2 3.6Å; Y100-F286 WeakPolarHBondContact OH-CD2 3.33Å; Y100-F286 WeakPolarHBondContact OH-CE2 3.16Å
101S97.1Very high97.7Very high62 Ų6245.2 Ų45.243%0.43424%0.24SC..Hα-helixtrans-69.6-45.2178.7-1670000111.2D99 R104 K105D99-S101 PolarHBondContact O-N 3.42Å; D99-S101 WeakPolarHBondContact OD2-CB 3.45Å; D99-S101 PolarHBondContact OD2-N 3.06Å; S101-R104 WeakPolarHBondContact O-CB 3.4Å; S101-R104 PolarHBondContact O-N 2.77Å; S101-K105 WeakPolarHBondContact O-CB 3.34Å; S101-K105 VanDerWaalsContact O-CG 3.29Å; S101-K105 WeakPolarHBondContact O-CG 3.14Å; S101-K105 PolarHBondContact O-N 2.85Å
102R98.1Very high97.7Very high64 Ų6447.6 Ų47.624%0.24225%0.248CC..Hα-helixtrans-63.5-47.7174.7-172.2-166.5-50.6-146.27.3112.2D90 D99 R104 K105 Y106D90-R102 IonicContact OD1-CZ 3.11Å; D90-R102 IonicContact OD1-NH1 3.86Å; D90-R102 PolarHBondContact OD1-NH1 2.74Å; D90-R102 WeakPolarHBondContact OD2-CD 3.26Å; D90-R102 IonicContact OD2-CZ 3.67Å; D90-R102 IonicContact OD2-NE 2.9Å; D90-R102 IonicContact OD2-NH1 3.75Å; D90-R102 PolarHBondContact OD2-NH1 2.86Å; D99-R102 VanDerWaalsContact CG-CB 3.49Å; D99-R102 WeakPolarHBondContact O-CB 3.38Å; D99-R102 PolarHBondContact O-N 2.99Å; D99-R102 WeakPolarHBondContact OD1-CB 3.44Å; D99-R102 IonicContact OD1-CZ 2.79Å; D99-R102 IonicContact OD1-NE 2.7Å; D99-R102 PolarHBondContact OD1-NE 2.77Å; D99-R102 IonicContact OD1-NH2 2.82Å; D99-R102 WeakPolarHBondContact OD2-CB 2.92Å; D99-R102 PolarHBondContact OD2-N 3.1Å; R102-R104 VanDerWaalsContact C-N 3.27Å; R102-R104 PolarHBondContact O-N 2.87Å; R102-K105 CarbonylContact O-C 3.58Å; R102-K105 WeakPolarHBondContact O-CA 3.16Å; R102-K105 WeakPolarHBondContact O-CB 3.36Å; R102-K105 PolarHBondContact O-N 2.85Å; R102-Y106 HydrophobicContact CG-CD1 4.36Å; R102-Y106 HydrophobicContact CG-CD2 4.07Å; R102-Y106 HydrophobicContact CG-CE1 3.92Å; R102-Y106 HydrophobicContact CG-CE2 3.57Å; R102-Y106 HydrophobicContact CG-CG 4.43Å; R102-Y106 VanDerWaalsContact CG-CZ 3.48Å; R102-Y106 PolarHBondContact O-N 2.83Å
103V98.5Very high97.8Very high0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-56.1-45.6176.4179.10000110.8L98 D99 K105 Y106 L107 M195 L196L98-V103 HydrophobicContact CB-CG2 3.66Å; D99-V103 PolarHBondContact O-N 3.12Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 2.92Å; V103-Y106 PolarHBondContact O-N 3.41Å; V103-L107 HydrophobicContact CG1-CD1 3.6Å; V103-L107 HydrophobicContact CG1-CG 3.98Å; V103-L107 WeakPolarHBondContact O-CB 3.45Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 3.19Å; V103-M195 HydrophobicContact CB-CB 4.37Å; V103-M195 HydrophobicContact CG1-CB 3.72Å; V103-M195 HydrophobicContact CG1-SD 4.3Å; V103-M195 HydrophobicContact CG2-CB 3.79Å; V103-M195 VanDerWaalsContact CG2-O 3.31Å; V103-M195 WeakPolarHBondContact CG2-O 3.36Å; V103-L196 HydrophobicContact CB-CD2 3.94Å; V103-L196 HydrophobicContact CB-CG 4.44Å; V103-L196 HydrophobicContact CG1-CD2 4.05Å; V103-L196 HydrophobicContact CG1-CG 4.03Å; V103-L196 HydrophobicContact CG2-CD2 3.75Å; V103-L196 HydrophobicContact CG2-CG 4.25Å
104R98.1Very high97.8Very high22 Ų2237.8 Ų37.88%0.08319%0.191CC..Hα-helixtrans-60.5-40.7176.6-162.6-176.1-162.1-162.7-2.5112.5Y100 S101 R102 F108 F286 F287 D290 F292Y100-R104 WeakPolarHBondContact O-CB 3.41Å; Y100-R104 PolarHBondContact O-N 3.25Å; Y100-R104 VanDerWaalsContact O-N 3.08Å; S101-R104 WeakPolarHBondContact O-CB 3.4Å; S101-R104 PolarHBondContact O-N 2.77Å; R102-R104 VanDerWaalsContact C-N 3.27Å; R102-R104 PolarHBondContact O-N 2.87Å; R104-F108 VanDerWaalsContact O-CB 3.28Å; R104-F108 WeakPolarHBondContact O-CB 3.49Å; R104-F108 PolarHBondContact O-N 3.07Å; R104-F108 VanDerWaalsContact O-N 3.13Å; R104-F286 HydrophobicContact CB-CE1 4.15Å; R104-F286 HydrophobicContact CB-CZ 4.12Å; R104-F286 HydrophobicContact CG-CD1 4.36Å; R104-F286 HydrophobicContact CG-CE1 3.83Å; R104-F286 HydrophobicContact CG-CZ 4.12Å; R104-F286 VanDerWaalsContact CZ-O 3.23Å; R104-F286 PolarHBondContact NE-O 3.04Å; R104-F286 PolarHBondContact NH2-O 2.82Å; R104-F287 HydrophobicContact CG-CD1 4.16Å; R104-F287 HydrophobicContact CG-CE1 4.3Å; R104-D290 IonicContact CZ-OD1 2.63Å; R104-D290 VanDerWaalsContact CZ-OD1 3.27Å; R104-D290 IonicContact CZ-OD2 2.65Å; R104-D290 VanDerWaalsContact NH1-CG 3.26Å; R104-D290 IonicContact NH1-OD1 2.71Å; R104-D290 PolarHBondContact NH1-OD1 3.28Å; R104-D290 VanDerWaalsContact NH1-OD1 3.08Å; R104-D290 IonicContact NH1-OD2 3.11Å; R104-D290 PolarHBondContact NH1-OD2 2.85Å; R104-D290 IonicContact NH2-OD1 3.78Å; R104-D290 PolarHBondContact NH2-OD1 3.02Å; R104-D290 IonicContact NH2-OD2 2.72Å; R104-F292 HydrophobicContact CB-CE2 4.46Å; R104-F292 HydrophobicContact CB-CZ 4.15Å; R104-F292 HydrophobicContact CG-CD1 4.02Å; R104-F292 HydrophobicContact CG-CD2 4.44Å; R104-F292 HydrophobicContact CG-CE1 3.68Å; R104-F292 HydrophobicContact CG-CE2 4.1Å; R104-F292 HydrophobicContact CG-CG 4.4Å; R104-F292 HydrophobicContact CG-CZ 3.71Å
105K98.6Very high97.9Very high43 Ų4334.6 Ų34.619%0.18718%0.181CC..Hα-helixtrans-69.8-31.8175.1-72.9-178.8175.1-165.70113.6S101 R102 V103 Q109 F292 F296 E299S101-K105 WeakPolarHBondContact O-CB 3.34Å; S101-K105 VanDerWaalsContact O-CG 3.29Å; S101-K105 WeakPolarHBondContact O-CG 3.14Å; S101-K105 PolarHBondContact O-N 2.85Å; R102-K105 CarbonylContact O-C 3.58Å; R102-K105 WeakPolarHBondContact O-CA 3.16Å; R102-K105 WeakPolarHBondContact O-CB 3.36Å; R102-K105 PolarHBondContact O-N 2.85Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 2.92Å; K105-Q109 WeakPolarHBondContact O-CG 3.28Å; K105-Q109 PolarHBondContact O-NE2 3.38Å; K105-F292 HydrophobicContact CB-CZ 4.49Å; K105-F292 HydrophobicContact CG-CE2 3.79Å; K105-F292 HydrophobicContact CG-CZ 3.66Å; K105-F296 HydrophobicContact CB-CE1 3.87Å; K105-F296 HydrophobicContact CB-CE2 4.06Å; K105-F296 HydrophobicContact CB-CZ 3.6Å; K105-F296 HydrophobicContact CD-CD2 3.94Å; K105-F296 HydrophobicContact CD-CE2 3.61Å; K105-F296 HydrophobicContact CD-CZ 4.08Å; K105-F296 HydrophobicContact CG-CD1 4.16Å; K105-F296 HydrophobicContact CG-CD2 3.84Å; K105-F296 HydrophobicContact CG-CE1 3.88Å; K105-F296 HydrophobicContact CG-CE2 3.57Å; K105-F296 HydrophobicContact CG-CG 4.15Å; K105-F296 HydrophobicContact CG-CZ 3.6Å; K105-F296 WeakPolarHBondContact O-CE1 3.37Å; K105-E299 IonicContact NZ-OE1 3.51Å; K105-E299 PolarHBondContact NZ-OE1 3.24Å; K105-E299 IonicContact NZ-OE2 3.52Å; K105-E299 PolarHBondContact NZ-OE2 3.41Å
106Y98.8Very high98Very high13 Ų1332.4 Ų32.45%0.05116%0.163CC..Hα-helixtrans-76.2-53.5175.1-68.9-9.3000111.1V87 D90 L98 R102 V103 F108 Q109 I110 V134 V140V87-Y106 HydrophobicContact CG2-CD2 3.98Å; V87-Y106 HydrophobicContact CG2-CE2 4.18Å; D90-Y106 WeakPolarHBondContact OD2-CE2 3.18Å; D90-Y106 PolarHBondContact OD2-OH 2.92Å; L98-Y106 HydrophobicContact CD1-CD2 4.12Å; L98-Y106 HydrophobicContact CD1-CE2 3.96Å; R102-Y106 HydrophobicContact CG-CD1 4.36Å; R102-Y106 HydrophobicContact CG-CD2 4.07Å; R102-Y106 HydrophobicContact CG-CE1 3.92Å; R102-Y106 HydrophobicContact CG-CE2 3.57Å; R102-Y106 HydrophobicContact CG-CG 4.43Å; R102-Y106 VanDerWaalsContact CG-CZ 3.48Å; R102-Y106 PolarHBondContact O-N 2.83Å; V103-Y106 PolarHBondContact O-N 3.41Å; Y106-F108 VanDerWaalsContact C-N 3.3Å; Y106-F108 PolarHBondContact O-N 2.93Å; Y106-Q109 PolarHBondContact O-N 3.16Å; Y106-I110 VanDerWaalsContact O-CG1 3.29Å; Y106-I110 WeakPolarHBondContact O-CG1 3.23Å; Y106-I110 PolarHBondContact O-N 2.93Å; Y106-V134 HydrophobicContact CE1-CG1 3.92Å; Y106-V134 HydrophobicContact CE1-CG2 4.43Å; Y106-V134 HydrophobicContact CE2-CG2 4.46Å; Y106-V140 HydrophobicContact CD1-CG2 3.52Å; Y106-V140 HydrophobicContact CE1-CG2 4.15Å; Y106-V140 HydrophobicContact CG-CG2 4.04Å
107L98.8Very high98Very high0 Ų025.6 Ų25.60%013%0.126CC..Hα-helixtrans-56.1-41.9179.1-68.7174.6000112.4V103 Q109 I110 I111 L191 V192 M195 L263 F286 F287V103-L107 HydrophobicContact CG1-CD1 3.6Å; V103-L107 HydrophobicContact CG1-CG 3.98Å; V103-L107 WeakPolarHBondContact O-CB 3.45Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 3.19Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.9Å; L107-I110 HydrophobicContact CD2-CD1 4.44Å; L107-I110 PolarHBondContact O-N 2.94Å; L107-I111 HydrophobicContact CB-CD1 4.46Å; L107-I111 WeakPolarHBondContact O-CB 3.2Å; L107-I111 WeakPolarHBondContact O-CD1 3.33Å; L107-I111 WeakPolarHBondContact O-CG1 3.31Å; L107-I111 PolarHBondContact O-N 2.76Å; L107-L191 HydrophobicContact CD2-CB 4.42Å; L107-V192 HydrophobicContact CD1-CB 4.41Å; L107-V192 HydrophobicContact CD1-CG1 4.46Å; L107-V192 HydrophobicContact CD1-CG2 3.89Å; L107-V192 HydrophobicContact CD2-CG2 4.2Å; L107-M195 HydrophobicContact CD2-SD 4.13Å; L107-M195 HydrophobicContact CG-SD 4.32Å; L107-L263 HydrophobicContact CD1-CD2 4.25Å; L107-F286 HydrophobicContact CD1-CE1 3.82Å; L107-F286 HydrophobicContact CD1-CZ 4.01Å; L107-F287 HydrophobicContact CB-CE1 4.21Å; L107-F287 HydrophobicContact CB-CZ 3.94Å
108F98.8Very high97.9Very high13 Ų1325.4 Ų25.46%0.05712%0.121CC..Hα-helixtrans-58.3-41.8176.1-174.4-102.5000112.4R104 Y106 R112 L282 F287 F292 A293 F296R104-F108 VanDerWaalsContact O-CB 3.28Å; R104-F108 WeakPolarHBondContact O-CB 3.49Å; R104-F108 PolarHBondContact O-N 3.07Å; R104-F108 VanDerWaalsContact O-N 3.13Å; Y106-F108 VanDerWaalsContact C-N 3.3Å; Y106-F108 PolarHBondContact O-N 2.93Å; F108-R112 VanDerWaalsContact CE1-CD 3.46Å; F108-R112 WeakPolarHBondContact O-CB 3.03Å; F108-R112 VanDerWaalsContact O-CG 3.28Å; F108-R112 WeakPolarHBondContact O-CG 3.45Å; F108-R112 PolarHBondContact O-N 3.45Å; F108-R112 VanDerWaalsContact O-N 3.08Å; F108-L282 HydrophobicContact CD2-CD2 3.7Å; F108-L282 HydrophobicContact CE2-CD2 3.92Å; F108-L282 HydrophobicContact CG-CD2 4.4Å; F108-F287 HydrophobicContact CB-CD1 3.95Å; F108-F287 HydrophobicContact CB-CE1 3.72Å; F108-F287 HydrophobicContact CB-CZ 4.48Å; F108-F287 HydrophobicContact CD2-CB 4.29Å; F108-F287 AromaticContact CD2-CD1 3.77Å; F108-F287 HydrophobicContact CD2-CD1 3.77Å; F108-F287 HydrophobicContact CD2-CE1 4.26Å; F108-F287 AromaticContact CD2-CG 3.98Å; F108-F287 HydrophobicContact CD2-CG 3.98Å; F108-F287 HydrophobicContact CG-CD1 4.33Å; F108-F292 HydrophobicContact CB-CE1 4.32Å; F108-F292 HydrophobicContact CG-CE1 4.41Å; F108-A293 HydrophobicContact CE2-CB 3.72Å; F108-A293 HydrophobicContact CZ-CB 4.13Å; F108-F296 HydrophobicContact CB-CD1 4.36Å; F108-F296 HydrophobicContact CB-CE1 4.34Å; F108-F296 AromaticContact CD1-CD1 3.53Å; F108-F296 HydrophobicContact CD1-CD1 3.53Å; F108-F296 AromaticContact CD1-CE1 3.77Å; F108-F296 HydrophobicContact CD1-CE1 3.77Å; F108-F296 HydrophobicContact CE1-CD1 4.04Å; F108-F296 HydrophobicContact CG-CD1 4.14Å; F108-F296 HydrophobicContact CG-CE1 4.43Å
109Q98.8Very high97.8Very high0 Ų028.8 Ų28.80%015%0.146CC..Hα-helixtrans-74.5-39.8178.8-71.7-179.686.600112.9N62 K105 Y106 L107 R112 G113 G138 V140 F296 L300N62-Q109 PolarHBondContact ND2-OE1 3.07Å; K105-Q109 WeakPolarHBondContact O-CG 3.28Å; K105-Q109 PolarHBondContact O-NE2 3.38Å; Y106-Q109 PolarHBondContact O-N 3.16Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.9Å; Q109-R112 PolarHBondContact O-N 2.83Å; Q109-G113 PolarHBondContact O-N 2.9Å; Q109-G138 PolarHBondContact NE2-O 3.44Å; Q109-V140 HydrophobicContact CB-CB 3.79Å; Q109-V140 HydrophobicContact CB-CG2 4.18Å; Q109-F296 HydrophobicContact CG-CE1 4.1Å; Q109-F296 HydrophobicContact CG-CZ 4.36Å; Q109-L300 HydrophobicContact CG-CD1 4.37Å; Q109-L300 HydrophobicContact CG-CD2 3.75Å; Q109-L300 VanDerWaalsContact OE1-CD1 3.27Å
110I98.8Very high97.6Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-58.3-53.2174-66160000109.2Y106 L107 R112 G113 I114 I132 V140 L142 I188 M195Y106-I110 VanDerWaalsContact O-CG1 3.29Å; Y106-I110 WeakPolarHBondContact O-CG1 3.23Å; Y106-I110 PolarHBondContact O-N 2.93Å; L107-I110 HydrophobicContact CD2-CD1 4.44Å; L107-I110 PolarHBondContact O-N 2.94Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3Å; I110-G113 WeakPolarHBondContact O-CA 3.43Å; I110-G113 PolarHBondContact O-N 3.08Å; I110-G113 VanDerWaalsContact O-N 3.09Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.24Å; I110-I114 PolarHBondContact O-N 3.16Å; I110-I132 HydrophobicContact CD1-CD1 3.96Å; I110-I132 HydrophobicContact CD1-CG2 4.01Å; I110-I132 HydrophobicContact CG1-CD1 4.42Å; I110-I132 HydrophobicContact CG1-CG2 3.96Å; I110-V140 HydrophobicContact CG1-CG1 4Å; I110-L142 HydrophobicContact CG1-CD2 4.31Å; I110-L142 HydrophobicContact CG2-CD2 4.31Å; I110-I188 HydrophobicContact CG2-CG1 4.16Å; I110-M195 HydrophobicContact CD1-CE 3.49Å; I110-M195 VanDerWaalsContact CD1-CE 3.49Å; I110-M195 HydrophobicContact CD1-SD 4.47Å
111I98.8Very high97.4Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-63.7-37-177.8-62.8164.1000110.9L107 I114 A115 I188 C278 L281 L282 F287L107-I111 HydrophobicContact CB-CD1 4.46Å; L107-I111 WeakPolarHBondContact O-CB 3.2Å; L107-I111 WeakPolarHBondContact O-CD1 3.33Å; L107-I111 WeakPolarHBondContact O-CG1 3.31Å; L107-I111 PolarHBondContact O-N 2.76Å; I111-I114 PolarHBondContact O-N 3.44Å; I111-A115 VanDerWaalsContact O-CB 3.22Å; I111-A115 WeakPolarHBondContact O-CB 3.45Å; I111-A115 PolarHBondContact O-N 2.91Å; I111-I188 HydrophobicContact CD1-CG2 4.13Å; I111-I188 HydrophobicContact CG1-CD1 4.11Å; I111-I188 HydrophobicContact CG1-CG2 3.94Å; I111-C278 HydrophobicContact CG2-CB 3.84Å; I111-C278 WeakPolarHBondContact CG2-O 3.35Å; I111-L281 HydrophobicContact CD1-CB 4.35Å; I111-L281 HydrophobicContact CG2-CB 3.91Å; I111-L281 HydrophobicContact CG2-CD1 4.48Å; I111-L282 HydrophobicContact CB-CD2 3.96Å; I111-L282 HydrophobicContact CB-CG 4.43Å; I111-L282 HydrophobicContact CG2-CD1 4.32Å; I111-L282 HydrophobicContact CG2-CD2 3.75Å; I111-L282 HydrophobicContact CG2-CG 3.67Å; I111-F287 HydrophobicContact CD1-CE2 3.69Å; I111-F287 HydrophobicContact CD1-CZ 3.67Å
112R98.3Very high97Very high63 Ų6326.4 Ų26.424%0.23813%0.131CC..Hα-helixtrans-63.7-42.7171.4-76.1176.272.3-116.27.4112.8E61 N62 F108 Q109 I110 A115 F116 L282E61-R112 IonicContact OE1-CZ 2.59Å; E61-R112 IonicContact OE1-NH1 2.65Å; E61-R112 PolarHBondContact OE1-NH1 3.06Å; E61-R112 IonicContact OE1-NH2 2.78Å; E61-R112 PolarHBondContact OE1-NH2 2.99Å; N62-R112 PolarHBondContact OD1-NH1 3.21Å; N62-R112 VanDerWaalsContact OD1-NH1 3.07Å; F108-R112 VanDerWaalsContact CE1-CD 3.46Å; F108-R112 WeakPolarHBondContact O-CB 3.03Å; F108-R112 VanDerWaalsContact O-CG 3.28Å; F108-R112 WeakPolarHBondContact O-CG 3.45Å; F108-R112 PolarHBondContact O-N 3.45Å; F108-R112 VanDerWaalsContact O-N 3.08Å; Q109-R112 PolarHBondContact O-N 2.83Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3Å; R112-A115 PolarHBondContact O-N 3.39Å; R112-F116 PolarHBondContact O-N 3.12Å; R112-L282 HydrophobicContact CG-CD1 3.63Å; R112-L282 HydrophobicContact CG-CD2 3.9Å; R112-L282 HydrophobicContact CG-CG 4.44Å
113G98.1Very high96.7Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-60.5-45.2174.300000112.9Q109 I110 F116 C117Q109-G113 PolarHBondContact O-N 2.9Å; I110-G113 WeakPolarHBondContact O-CA 3.43Å; I110-G113 PolarHBondContact O-N 3.08Å; I110-G113 VanDerWaalsContact O-N 3.09Å; G113-F116 PolarHBondContact O-N 2.65Å; G113-C117 PolarHBondContact O-N 2.79Å; G113-C117 VanDerWaalsContact O-N 3.13Å; G113-C117 PolarHBondContact O-SG 3.48Å
114I98.2Very high96.4Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-69.2-40.8177.1-59.3-59.4000111.6I110 I111 F116 C117 H118 H124 I127 L142 D184 I188 C278I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.24Å; I110-I114 PolarHBondContact O-N 3.16Å; I111-I114 PolarHBondContact O-N 3.44Å; I114-F116 VanDerWaalsContact C-N 3.26Å; I114-F116 PolarHBondContact O-N 2.74Å; I114-C117 WeakPolarHBondContact O-CB 3.46Å; I114-C117 PolarHBondContact O-N 2.73Å; I114-C117 VanDerWaalsContact O-N 3.12Å; I114-H118 VanDerWaalsContact CG2-CE1 3.42Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.49Å; I114-H118 VanDerWaalsContact CG2-NE2 3.3Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.36Å; I114-H118 WeakPolarHBondContact O-CB 3.17Å; I114-H118 PolarHBondContact O-CD2 3.27Å; I114-H118 VanDerWaalsContact O-CG 3.31Å; I114-H118 PolarHBondContact O-N 3.49Å; I114-H124 HydrophobicContact CD1-CB 4.12Å; I114-I127 HydrophobicContact CD1-CD1 3.64Å; I114-I127 HydrophobicContact CD1-CG1 3.97Å; I114-L142 HydrophobicContact CD1-CD1 3.56Å; I114-L142 HydrophobicContact CG1-CD1 3.95Å; I114-D184 HydrophobicContact CG2-CB 3.82Å; I114-I188 HydrophobicContact CB-CD1 4.33Å; I114-I188 HydrophobicContact CG1-CD1 4.13Å; I114-I188 HydrophobicContact CG2-CD1 4.36Å; I114-C278 WeakPolarHBondContact CG2-SG 3.44Å
115A98.1Very high96Very high24 Ų2425.2 Ų25.220%0.19813%0.127CC..Hα-helixtrans-58.2-38.5174.600000112.1I111 R112 H118 S119 C278I111-A115 VanDerWaalsContact O-CB 3.22Å; I111-A115 WeakPolarHBondContact O-CB 3.45Å; I111-A115 PolarHBondContact O-N 2.91Å; R112-A115 PolarHBondContact O-N 3.39Å; A115-H118 PolarHBondContact O-N 3.2Å; A115-S119 PolarHBondContact O-N 2.82Å; A115-C278 HydrophobicContact CB-CB 3.79Å
116F97.3Very high95.6Very high41 Ų4124.1 Ų24.118%0.1812%0.123CC..Hα-helixtrans-65.6-44173.1177-87.5000112.6L58 R59 H60 L63 R112 G113 I114 H118 S119 H120L58-F116 HydrophobicContact CB-CE1 4.13Å; L58-F116 HydrophobicContact CD2-CD1 4.4Å; L58-F116 HydrophobicContact CD2-CE1 3.81Å; R59-F116 VanDerWaalsContact O-CZ 3.25Å; R59-F116 WeakPolarHBondContact O-CZ 3.42Å; H60-F116 HydrophobicContact CB-CB 4.4Å; H60-F116 HydrophobicContact CB-CD1 3.6Å; H60-F116 HydrophobicContact CB-CD2 3.88Å; H60-F116 HydrophobicContact CB-CE1 3.74Å; H60-F116 HydrophobicContact CB-CE2 3.99Å; H60-F116 HydrophobicContact CB-CG 3.68Å; H60-F116 HydrophobicContact CB-CZ 3.94Å; H60-F116 AromaticContact CD2-CD2 3.7Å; H60-F116 AromaticContact CD2-CG 3.89Å; H60-F116 AromaticContact CG-CD2 3.94Å; H60-F116 AromaticContact CG-CG 3.75Å; L63-F116 HydrophobicContact CD1-CD1 3.88Å; L63-F116 HydrophobicContact CD1-CE1 4.02Å; R112-F116 PolarHBondContact O-N 3.12Å; G113-F116 PolarHBondContact O-N 2.65Å; I114-F116 VanDerWaalsContact C-N 3.26Å; I114-F116 PolarHBondContact O-N 2.74Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 2.94Å; F116-S119 PolarHBondContact O-N 2.97Å; F116-S119 PolarHBondContact O-OG 2.72Å; F116-H120 AromaticContact CD2-CE1 3.87Å; F116-H120 AromaticContact CE1-CE1 3.98Å; F116-H120 AromaticContact CE1-ND1 3.92Å; F116-H120 AromaticContact CE2-CE1 3.35Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.49Å; F116-H120 AromaticContact CE2-ND1 3.95Å; F116-H120 AromaticContact CZ-CE1 3.4Å; F116-H120 VanDerWaalsContact CZ-CE1 3.4Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.17Å; F116-H120 AromaticContact CZ-ND1 3.82Å; F116-H120 PolarHBondContact O-N 3.44Å; F116-H120 PolarHBondContact O-ND1 2.8Å
117C95.4Very high95.4Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-60.3-43.1173.1-67.10000111.3G113 I114 S119 H120 N121 V122G113-C117 PolarHBondContact O-N 2.79Å; G113-C117 VanDerWaalsContact O-N 3.13Å; G113-C117 PolarHBondContact O-SG 3.48Å; I114-C117 WeakPolarHBondContact O-CB 3.46Å; I114-C117 PolarHBondContact O-N 2.73Å; I114-C117 VanDerWaalsContact O-N 3.12Å; C117-S119 PolarHBondContact O-N 3.17Å; C117-H120 CarbonylContact O-C 3.58Å; C117-H120 PolarHBondContact O-N 2.77Å; C117-N121 PolarHBondContact O-N 3Å; C117-V122 CarbonylContact C-O 3.53Å; C117-V122 VanDerWaalsContact C-O 3.28Å; C117-V122 HydrophobicContact CB-CB 4.35Å; C117-V122 PolarHBondContact O-N 2.93Å
118H95.8Very high95.2Very high14 Ų1424.4 Ų24.47%0.06512%0.124CC..Hα-helixtrans-66.9-34.9-179-76.5-167.2000113.2I114 A115 F116 H120 N121 V122 K181 D184I114-H118 VanDerWaalsContact CG2-CE1 3.42Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.49Å; I114-H118 VanDerWaalsContact CG2-NE2 3.3Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.36Å; I114-H118 WeakPolarHBondContact O-CB 3.17Å; I114-H118 PolarHBondContact O-CD2 3.27Å; I114-H118 VanDerWaalsContact O-CG 3.31Å; I114-H118 PolarHBondContact O-N 3.49Å; A115-H118 PolarHBondContact O-N 3.2Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 2.94Å; H118-H120 VanDerWaalsContact C-N 3.29Å; H118-N121 PolarHBondContact O-N 2.96Å; H118-N121 VanDerWaalsContact O-N 3.12Å; H118-V122 PolarHBondContact CD2-O 3.33Å; H118-K181 HydrophobicContact CB-CD 3.98Å; H118-K181 PolarHBondContact CE1-O 2.99Å; H118-K181 VanDerWaalsContact CE1-O 3.22Å; H118-K181 VanDerWaalsContact O-CE 3.29Å; H118-K181 WeakPolarHBondContact O-CE 3.41Å; H118-K181 PolarHBondContact O-NZ 2.88Å; H118-D184 IonicContact CD2-OD2 2.68Å; H118-D184 IonicContact CE1-OD2 3.69Å; H118-D184 IonicContact NE2-OD2 3.42Å; H118-D184 PolarHBondContact NE2-OD2 2.62Å
119S95.9Very high95.1Very high81 Ų8123.9 Ų23.957%0.56612%0.122SC*.Hα-helixtrans-68.3-30.3173.5670000112.3A115 F116 C117 N121A115-S119 PolarHBondContact O-N 2.82Å; F116-S119 PolarHBondContact O-N 2.97Å; F116-S119 PolarHBondContact O-OG 2.72Å; C117-S119 PolarHBondContact O-N 3.17Å; S119-N121 PolarHBondContact O-N 2.64Å
120H93.2Very high94.9Very high95 Ų9527.4 Ų27.444%0.4414%0.139SC..THydrogen-bonded Turntrans-84.311.4171.5-64.879.6000113.5L58 F116 C117 H118 V122L58-H120 HydrophobicContact CD2-CB 3.72Å; F116-H120 AromaticContact CD2-CE1 3.87Å; F116-H120 AromaticContact CE1-CE1 3.98Å; F116-H120 AromaticContact CE1-ND1 3.92Å; F116-H120 AromaticContact CE2-CE1 3.35Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.49Å; F116-H120 AromaticContact CE2-ND1 3.95Å; F116-H120 AromaticContact CZ-CE1 3.4Å; F116-H120 VanDerWaalsContact CZ-CE1 3.4Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.17Å; F116-H120 AromaticContact CZ-ND1 3.82Å; F116-H120 PolarHBondContact O-N 3.44Å; F116-H120 PolarHBondContact O-ND1 2.8Å; C117-H120 CarbonylContact O-C 3.58Å; C117-H120 PolarHBondContact O-N 2.77Å; H118-H120 VanDerWaalsContact C-N 3.29Å; H120-V122 HydrophobicContact CB-CG2 4.49Å; H120-V122 PolarHBondContact O-N 3.25Å
121N91Very high94.7Very high77 Ų7728.1 Ų28.141%0.41214%0.143SC..THydrogen-bonded Turntrans57.426.7-177.5-69.5-46.2000115.2C117 H118 S119 A150 L151 K181C117-N121 PolarHBondContact O-N 3Å; H118-N121 PolarHBondContact O-N 2.96Å; H118-N121 VanDerWaalsContact O-N 3.12Å; S119-N121 PolarHBondContact O-N 2.64Å; N121-A150 CarbonylContact O-C 3.58Å; N121-A150 WeakPolarHBondContact O-CA 3.13Å; N121-L151 HydrophobicContact CB-CB 4.15Å; N121-L151 PolarHBondContact O-N 2.93Å; N121-K181 WeakPolarHBondContact OD1-CE 3.29Å; N121-K181 PolarHBondContact OD1-NZ 3.48Å
122V90.4Very high94.6Very high5 Ų528.1 Ų28.13%0.0314%0.143CC..EExtended strand (participates in β ladder)trans-99.3128174-177.20000109.9L54 L58 C117 H118 H120 A148 R149L54-V122 HydrophobicContact CD1-CG1 4.48Å; L54-V122 HydrophobicContact CD2-CG2 3.96Å; L58-V122 HydrophobicContact CD1-CB 4.43Å; L58-V122 HydrophobicContact CD1-CG1 4.27Å; L58-V122 HydrophobicContact CD1-CG2 4.22Å; L58-V122 HydrophobicContact CD2-CG2 4.32Å; C117-V122 CarbonylContact C-O 3.53Å; C117-V122 VanDerWaalsContact C-O 3.28Å; C117-V122 HydrophobicContact CB-CB 4.35Å; C117-V122 PolarHBondContact O-N 2.93Å; H118-V122 PolarHBondContact CD2-O 3.33Å; H120-V122 HydrophobicContact CB-CG2 4.49Å; H120-V122 PolarHBondContact O-N 3.25Å; V122-A148 HydrophobicContact CG1-CB 3.96Å; V122-R149 WeakPolarHBondContact CA-O 3.5Å
123I91.4Very high94.6Very high4 Ų426.6 Ų26.62%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-98.1133.2170.5-46.3167.9000107.4R125 A148 R149 L151 Y179 K181 V183 D184I123-R125 HydrophobicContact CB-CG 4.08Å; I123-R125 HydrophobicContact CG2-CG 3.59Å; I123-A148 CarbonylContact O-C 3.56Å; I123-A148 WeakPolarHBondContact O-CA 3.41Å; I123-A148 WeakPolarHBondContact O-CB 3.25Å; I123-R149 PolarHBondContact N-O 2.92Å; I123-R149 PolarHBondContact O-N 2.79Å; I123-L151 HydrophobicContact CD1-CD1 4.15Å; I123-Y179 HydrophobicContact CD1-CD2 4.48Å; I123-Y179 HydrophobicContact CD1-CE2 4.49Å; I123-K181 HydrophobicContact CG1-CG 4.29Å; I123-V183 HydrophobicContact CG2-CG2 3.49Å; I123-V183 VanDerWaalsContact CG2-CG2 3.49Å; I123-D184 WeakPolarHBondContact CA-OD2 3.36Å; I123-D184 VanDerWaalsContact CG2-OD2 3.31Å; I123-D184 WeakPolarHBondContact CG2-OD2 3.46Å
124H92Very high94.6Very high0 Ų026.6 Ų26.60%014%0.139CC..  trans-82.6-41.9-173.9-164-49.3000113.1I114 D126 I127 C143 D144 F145 D184I114-H124 HydrophobicContact CD1-CB 4.12Å; H124-D126 PolarHBondContact O-N 3.08Å; H124-D126 VanDerWaalsContact O-N 3.1Å; H124-I127 HydrophobicContact CB-CD1 4.02Å; H124-I127 HydrophobicContact CB-CG1 4.08Å; H124-I127 VanDerWaalsContact CD2-CD1 3.48Å; H124-I127 WeakPolarHBondContact CD2-CD1 3.4Å; H124-C143 PolarHBondContact CE1-O 3.37Å; H124-C143 PolarHBondContact NE2-O 3.36Å; H124-D144 PolarHBondContact CE1-O 3.47Å; H124-D144 VanDerWaalsContact CE1-O 3.25Å; H124-F145 AromaticContact CD2-CE1 3.87Å; H124-F145 AromaticContact CD2-CZ 3.78Å; H124-F145 AromaticContact NE2-CE2 3.98Å; H124-F145 AromaticContact NE2-CZ 3.87Å; H124-D184 PolarHBondContact N-OD1 3.26Å; H124-D184 PolarHBondContact N-OD2 3.1Å
125R90.2Very high94.5Very high57 Ų5727.2 Ų27.222%0.21514%0.143CC..  trans65.9-2171.7-53.5175.961.7-111.8-6.8118.1I123 F147 Y179 V183 D184I123-R125 HydrophobicContact CB-CG 4.08Å; I123-R125 HydrophobicContact CG2-CG 3.59Å; R125-F147 HydrophobicContact CB-CB 4.37Å; R125-F147 WeakPolarHBondContact CD-O 3.46Å; R125-F147 PolarHBondContact NH1-O 2.98Å; R125-Y179 PolarHBondContact NE-OH 3.02Å; R125-V183 HydrophobicContact CG-CG2 4.24Å; R125-D184 PolarHBondContact N-OD1 3.49Å
126D89.8Confident94.3Very high20 Ų2033.6 Ų33.611%0.10717%0.169CC..  trans-141.261.5178.1-166.930.4000110.4H124 K128 N131 F147H124-D126 PolarHBondContact O-N 3.08Å; H124-D126 VanDerWaalsContact O-N 3.1Å; D126-K128 WeakPolarHBondContact OD1-CD 3.43Å; D126-N131 PolarHBondContact O-ND2 3.25Å; D126-N131 PolarHBondContact OD2-ND2 3.02Å; D126-F147 HydrophobicContact CB-CB 4.35Å; D126-F147 HydrophobicContact CB-CD2 3.57Å; D126-F147 HydrophobicContact CB-CE2 4.22Å; D126-F147 HydrophobicContact CB-CG 4.31Å
127I95.2Very high94.2Very high3 Ų332.6 Ų32.62%0.01517%0.167CC..  trans-96.4111.5-179.9-66.5-57.5000109.3I114 H124 Y167 A187 L191I114-I127 HydrophobicContact CD1-CD1 3.64Å; I114-I127 HydrophobicContact CD1-CG1 3.97Å; H124-I127 HydrophobicContact CB-CD1 4.02Å; H124-I127 HydrophobicContact CB-CG1 4.08Å; H124-I127 VanDerWaalsContact CD2-CD1 3.48Å; H124-I127 WeakPolarHBondContact CD2-CD1 3.4Å; I127-Y167 VanDerWaalsContact O-CB 3.26Å; I127-Y167 WeakPolarHBondContact O-CB 3.18Å; I127-Y167 VanDerWaalsContact O-CG 3.31Å; I127-A187 HydrophobicContact CB-CB 3.75Å; I127-A187 HydrophobicContact CG2-CB 3.93Å; I127-L191 HydrophobicContact CG2-CD1 3.63Å
128K94.7Very high94.2Very high16 Ų1633.3 Ų33.37%0.0718%0.175CC..SBendtrans-158.3158.2-173.558-178.3-172147.90109.7D126 E130 N131 I132 T164 Y167D126-K128 WeakPolarHBondContact OD1-CD 3.43Å; K128-E130 VanDerWaalsContact C-N 3.25Å; K128-E130 HydrophobicContact CD-CB 4.48Å; K128-E130 VanDerWaalsContact CD-OE1 3.31Å; K128-E130 WeakPolarHBondContact CD-OE1 3.29Å; K128-E130 WeakPolarHBondContact CE-OE1 3.32Å; K128-E130 HydrophobicContact CG-CB 4.3Å; K128-E130 IonicContact NZ-OE1 2.69Å; K128-E130 PolarHBondContact NZ-OE1 2.96Å; K128-E130 IonicContact NZ-OE2 3.14Å; K128-E130 PolarHBondContact NZ-OE2 3.48Å; K128-E130 PolarHBondContact O-N 3.02Å; K128-E130 VanDerWaalsContact O-N 3.15Å; K128-N131 WeakPolarHBondContact CE-ND2 3.42Å; K128-N131 HydrophobicContact CG-CB 4.19Å; K128-N131 PolarHBondContact O-N 2.91Å; K128-I132 WeakPolarHBondContact O-CG1 3.48Å; K128-T164 PolarHBondContact NZ-OG1 3.07Å; K128-Y167 HydrophobicContact CB-CD1 4.44Å; K128-Y167 HydrophobicContact CB-CD2 3.5Å; K128-Y167 VanDerWaalsContact CB-CD2 3.5Å; K128-Y167 HydrophobicContact CB-CE1 4.42Å; K128-Y167 HydrophobicContact CB-CE2 3.49Å; K128-Y167 VanDerWaalsContact CB-CE2 3.49Å; K128-Y167 HydrophobicContact CB-CG 4.02Å
129P96.7Very high94.3Very high2 Ų232.8 Ų32.81%0.01317%0.172CC..G310 helixtrans-54.2-36.3-174.5-28.636.8000114.9V87 L88 L91 N131 I132 Y167 L191 E194V87-P129 HydrophobicContact CB-CB 4.29Å; V87-P129 HydrophobicContact CG1-CB 4.28Å; V87-P129 PolarHBondContact N-O 3.05Å; L88-P129 HydrophobicContact CB-CB 4Å; L91-P129 HydrophobicContact CD1-CB 3.9Å; L91-P129 HydrophobicContact CD1-CG 3.8Å; P129-N131 VanDerWaalsContact C-N 3.28Å; P129-N131 PolarHBondContact O-N 2.87Å; P129-I132 PolarHBondContact O-N 2.76Å; P129-Y167 VanDerWaalsContact CD-CZ 3.41Å; P129-Y167 WeakPolarHBondContact CD-OH 3.48Å; P129-L191 HydrophobicContact CG-CD2 3.79Å; P129-E194 WeakPolarHBondContact CG-OE2 3.29Å
130E93Very high94.4Very high73 Ų7329 Ų2934%0.34115%0.145SC..G310 helixtrans-55.8-38.1175.4-58.7163.8-108.300113.2L88 K128 I132 T164L88-E130 HydrophobicContact CD2-CG 3.74Å; K128-E130 VanDerWaalsContact C-N 3.25Å; K128-E130 HydrophobicContact CD-CB 4.48Å; K128-E130 VanDerWaalsContact CD-OE1 3.31Å; K128-E130 WeakPolarHBondContact CD-OE1 3.29Å; K128-E130 WeakPolarHBondContact CE-OE1 3.32Å; K128-E130 HydrophobicContact CG-CB 4.3Å; K128-E130 IonicContact NZ-OE1 2.69Å; K128-E130 PolarHBondContact NZ-OE1 2.96Å; K128-E130 IonicContact NZ-OE2 3.14Å; K128-E130 PolarHBondContact NZ-OE2 3.48Å; K128-E130 PolarHBondContact O-N 3.02Å; K128-E130 VanDerWaalsContact O-N 3.15Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-T164 PolarHBondContact OE1-OG1 2.86Å; E130-T164 VanDerWaalsContact OE1-OG1 3.11Å
131N94.4Very high94.7Very high16 Ų1625.3 Ų25.39%0.08613%0.128CC..G310 helixtrans-92.47.6-173.9-70-10.2000112.9D126 K128 P129 C143D126-N131 PolarHBondContact O-ND2 3.25Å; D126-N131 PolarHBondContact OD2-ND2 3.02Å; K128-N131 WeakPolarHBondContact CE-ND2 3.42Å; K128-N131 HydrophobicContact CG-CB 4.19Å; K128-N131 PolarHBondContact O-N 2.91Å; P129-N131 VanDerWaalsContact C-N 3.28Å; P129-N131 PolarHBondContact O-N 2.87Å; N131-C143 PolarHBondContact O-N 3.28Å; N131-C143 PolarHBondContact O-SG 3.25Å; N131-C143 VanDerWaalsContact O-SG 3.42Å
132I97.8Very high94.9Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-114.692.6-178-57.7166.2000107.3T86 V87 I110 K128 P129 E130 V140 L142 L191 M195T86-I132 CarbonylContact C-O 3.28Å; T86-I132 WeakPolarHBondContact CA-O 3.3Å; V87-I132 HydrophobicContact CB-CB 4.32Å; V87-I132 HydrophobicContact CB-CG2 4.41Å; V87-I132 HydrophobicContact CG2-CB 3.96Å; V87-I132 HydrophobicContact CG2-CG2 3.54Å; V87-I132 PolarHBondContact N-O 2.79Å; I110-I132 HydrophobicContact CD1-CD1 3.96Å; I110-I132 HydrophobicContact CD1-CG2 4.01Å; I110-I132 HydrophobicContact CG1-CD1 4.42Å; I110-I132 HydrophobicContact CG1-CG2 3.96Å; K128-I132 WeakPolarHBondContact O-CG1 3.48Å; P129-I132 PolarHBondContact O-N 2.76Å; E130-I132 VanDerWaalsContact C-N 3.33Å; I132-V140 HydrophobicContact CG2-CG1 3.47Å; I132-V140 VanDerWaalsContact CG2-CG1 3.47Å; I132-L142 HydrophobicContact CG1-CD2 3.93Å; I132-L142 HydrophobicContact CG2-CD2 4.34Å; I132-L191 HydrophobicContact CD1-CD1 3.55Å; I132-L191 HydrophobicContact CD1-CD2 4.24Å; I132-M195 HydrophobicContact CD1-CE 4.25Å
133L97.8Very high95Very high30 Ų3022.4 Ų22.416%0.15711%0.114CC..EExtended strand (participates in β ladder)trans-79.3150-178.4-44.4179.6000110.6V64 V83 H85 T86 V140 K141 C143V64-L133 HydrophobicContact CB-CD1 4.46Å; V64-L133 HydrophobicContact CG2-CD1 4.18Å; V83-L133 HydrophobicContact CB-CB 3.73Å; V83-L133 HydrophobicContact CB-CD1 3.94Å; V83-L133 HydrophobicContact CB-CG 4.46Å; V83-L133 HydrophobicContact CG1-CB 3.54Å; V83-L133 HydrophobicContact CG2-CB 4.17Å; V83-L133 HydrophobicContact CG2-CD1 3.86Å; H85-L133 CarbonylContact O-C 3.59Å; H85-L133 WeakPolarHBondContact O-CA 3.29Å; T86-L133 HydrophobicContact CG2-CD2 3.78Å; L133-V140 CarbonylContact O-C 3.53Å; L133-V140 VanDerWaalsContact O-CA 3.29Å; L133-V140 WeakPolarHBondContact O-CA 3.49Å; L133-K141 WeakPolarHBondContact CA-O 3.22Å; L133-K141 HydrophobicContact CB-CB 4.34Å; L133-K141 VanDerWaalsContact CB-O 3.27Å; L133-K141 WeakPolarHBondContact CB-O 3.46Å; L133-K141 WeakPolarHBondContact CG-O 3.4Å; L133-K141 PolarHBondContact N-O 2.82Å; L133-K141 PolarHBondContact O-N 3.46Å; L133-C143 HydrophobicContact CD1-CB 3.85Å; L133-C143 HydrophobicContact CG-CB 4.12Å
134V97.9Very high94.6Very high1 Ų123.9 Ų23.91%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-132.6130.5-177.3-173.70000110.4V83 D84 H85 V87 Y106 V140V83-V134 VanDerWaalsContact CG1-O 3.32Å; V83-V134 WeakPolarHBondContact CG1-O 3.33Å; D84-V134 PolarHBondContact N-O 2.62Å; H85-V134 PolarHBondContact N-O 2.97Å; H85-V134 PolarHBondContact O-N 2.58Å; V87-V134 HydrophobicContact CG2-CG2 3.71Å; Y106-V134 HydrophobicContact CE1-CG1 3.92Å; Y106-V134 HydrophobicContact CE1-CG2 4.43Å; Y106-V134 HydrophobicContact CE2-CG2 4.46Å; V134-V140 HydrophobicContact CG2-CG2 4.46Å
135S96.6Very high93.9Very high12 Ų1224 Ų248%0.08412%0.122CC..  trans-82.1165175.586.10000112.8S137 G138 V139 D307S135-S137 PolarHBondContact O-N 3.07Å; S135-S137 PolarHBondContact OG-N 3.48Å; S135-S137 PolarHBondContact OG-OG 3.12Å; S135-G138 PolarHBondContact O-N 3.09Å; S135-G138 PolarHBondContact OG-N 2.92Å; S135-V139 PolarHBondContact N-O 3.4Å; S135-V139 WeakPolarHBondContact OG-CB 3.46Å; S135-V139 PolarHBondContact OG-N 3.36Å; S135-V139 VanDerWaalsContact OG-N 3.07Å; S135-D307 WeakPolarHBondContact CB-OD2 3.47Å; S135-D307 PolarHBondContact OG-OD2 3.4Å
136Q93.6Very high92.7Very high159 Ų15921.5 Ų21.574%0.74312%0.115SC*.THydrogen-bonded Turntrans-61.4-11.7175.4-62.7-176.5-4.500114.6D84D84-Q136 HydrophobicContact CB-CG 3.78Å; D84-Q136 WeakPolarHBondContact OD1-CG 3.47Å; D84-Q136 PolarHBondContact OD1-NE2 3.34Å
137S94.6Very high91.5Very high19 Ų1921.8 Ų21.813%0.13312%0.115CC..THydrogen-bonded Turntrans-103-1.8171.373.80000113.8S135 K303 D307S135-S137 PolarHBondContact O-N 3.07Å; S135-S137 PolarHBondContact OG-N 3.48Å; S135-S137 PolarHBondContact OG-OG 3.12Å; S137-K303 VanDerWaalsContact O-CD 3.28Å; S137-K303 WeakPolarHBondContact O-CD 3.33Å; S137-K303 WeakPolarHBondContact O-CE 3.48Å; S137-K303 PolarHBondContact O-NZ 3.47Å; S137-D307 VanDerWaalsContact CB-OD1 3.24Å; S137-D307 WeakPolarHBondContact CB-OD1 3.49Å; S137-D307 PolarHBondContact OG-OD1 3.1Å; S137-D307 PolarHBondContact OG-OD2 2.79Å; S137-D307 VanDerWaalsContact OG-OD2 3.1Å
138G96.4Very high90Very high16 Ų1621.6 Ų21.617%0.16511%0.114CC..  trans85.522.7-177.200000114.4Q109 S135Q109-G138 PolarHBondContact NE2-O 3.44Å; S135-G138 PolarHBondContact O-N 3.09Å; S135-G138 PolarHBondContact OG-N 2.92Å
139V98.1Very high88.8Confident3 Ų322.5 Ų22.52%0.01812%0.117CC..  trans-77.7120.6167.9-179.50000108.6S135 L300 K303 I304 D307S135-V139 PolarHBondContact N-O 3.4Å; S135-V139 WeakPolarHBondContact OG-CB 3.46Å; S135-V139 PolarHBondContact OG-N 3.36Å; S135-V139 VanDerWaalsContact OG-N 3.07Å; V139-L300 HydrophobicContact CG2-CD1 4.1Å; V139-K303 HydrophobicContact CG2-CB 3.89Å; V139-I304 HydrophobicContact CG1-CG1 4.04Å; V139-I304 HydrophobicContact CG2-CG1 3.9Å; V139-D307 WeakPolarHBondContact CG2-OD2 3.27Å
140V98.5Very high87.3Confident0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-84.2139.8177.4172.80000110.4N62 Y106 Q109 I110 I132 L133 V134N62-V140 WeakPolarHBondContact CA-O 3.44Å; N62-V140 WeakPolarHBondContact CB-O 3.44Å; N62-V140 PolarHBondContact ND2-O 3.16Å; Y106-V140 HydrophobicContact CD1-CG2 3.52Å; Y106-V140 HydrophobicContact CE1-CG2 4.15Å; Y106-V140 HydrophobicContact CG-CG2 4.04Å; Q109-V140 HydrophobicContact CB-CB 3.79Å; Q109-V140 HydrophobicContact CB-CG2 4.18Å; I110-V140 HydrophobicContact CG1-CG1 4Å; I132-V140 HydrophobicContact CG2-CG1 3.47Å; I132-V140 VanDerWaalsContact CG2-CG1 3.47Å; L133-V140 CarbonylContact O-C 3.53Å; L133-V140 VanDerWaalsContact O-CA 3.29Å; L133-V140 WeakPolarHBondContact O-CA 3.49Å; V134-V140 HydrophobicContact CG2-CG2 4.46Å
141K97.8Very high85.7Confident19 Ų1925.8 Ų25.88%0.08314%0.143CC..EExtended strand (participates in β ladder)trans-134.7116.2176.4-74.4175167.7-68.20110.8E61 N62 L63 E81 V83 L133E61-K141 PolarHBondContact O-NZ 2.89Å; E61-K141 VanDerWaalsContact O-NZ 3.11Å; N62-K141 WeakPolarHBondContact O-CA 3.31Å; L63-K141 PolarHBondContact O-NZ 2.87Å; E81-K141 VanDerWaalsContact OE1-CE 3.27Å; E81-K141 WeakPolarHBondContact OE1-CE 3.34Å; E81-K141 IonicContact OE1-NZ 2.63Å; E81-K141 PolarHBondContact OE1-NZ 2.8Å; E81-K141 WeakPolarHBondContact OE2-CE 3.19Å; E81-K141 IonicContact OE2-NZ 3.62Å; E81-K141 PolarHBondContact OE2-NZ 2.9Å; V83-K141 HydrophobicContact CG2-CB 4.31Å; V83-K141 HydrophobicContact CG2-CD 3.61Å; L133-K141 WeakPolarHBondContact CA-O 3.22Å; L133-K141 HydrophobicContact CB-CB 4.34Å; L133-K141 VanDerWaalsContact CB-O 3.27Å; L133-K141 WeakPolarHBondContact CB-O 3.46Å; L133-K141 WeakPolarHBondContact CG-O 3.4Å; L133-K141 PolarHBondContact N-O 2.82Å; L133-K141 PolarHBondContact O-N 3.46Å
142L96.9Very high83.4Confident0 Ų028.5 Ų28.50%018%0.176CC..EExtended strand (participates in β ladder)trans-74.5140.3175.9-54.2175000111N62 L63 V64 I110 I114 I132N62-L142 PolarHBondContact O-N 2.84Å; L63-L142 HydrophobicContact CD2-CB 3.85Å; L63-L142 HydrophobicContact CD2-CD1 4.06Å; L63-L142 HydrophobicContact CD2-CG 4.32Å; V64-L142 WeakPolarHBondContact CG1-O 3.47Å; V64-L142 PolarHBondContact N-O 2.65Å; I110-L142 HydrophobicContact CG1-CD2 4.31Å; I110-L142 HydrophobicContact CG2-CD2 4.31Å; I114-L142 HydrophobicContact CD1-CD1 3.56Å; I114-L142 HydrophobicContact CG1-CD1 3.95Å; I132-L142 HydrophobicContact CG1-CD2 3.93Å; I132-L142 HydrophobicContact CG2-CD2 4.34Å
143C91.5Very high81.3Confident20 Ų2030.6 Ų30.614%0.13519%0.193CC..  trans-136.6177.5179.372.50000113.7V64 H124 N131 L133V64-C143 HydrophobicContact CB-CB 4.15Å; V64-C143 HydrophobicContact CG1-CB 3.6Å; H124-C143 PolarHBondContact CE1-O 3.37Å; H124-C143 PolarHBondContact NE2-O 3.36Å; N131-C143 PolarHBondContact O-N 3.28Å; N131-C143 PolarHBondContact O-SG 3.25Å; N131-C143 VanDerWaalsContact O-SG 3.42Å; L133-C143 HydrophobicContact CD1-CB 3.85Å; L133-C143 HydrophobicContact CG-CB 4.12Å
144D83.2Confident78.6Confident36 Ų3634.4 Ų34.419%0.19322%0.222CC..  trans56.780.4-171.9-140.6-44.2000116.1K33 H124 G146K33-D144 WeakPolarHBondContact CE-OD2 3.47Å; K33-D144 IonicContact NZ-OD1 2.73Å; K33-D144 PolarHBondContact NZ-OD1 2.75Å; K33-D144 IonicContact NZ-OD2 3.18Å; K33-D144 PolarHBondContact NZ-OD2 2.93Å; H124-D144 PolarHBondContact CE1-O 3.47Å; H124-D144 VanDerWaalsContact CE1-O 3.25Å; D144-G146 PolarHBondContact O-N 3.38Å; D144-G146 PolarHBondContact OD1-N 2.92Å
145F76.6Confident76.2Confident1 Ų138.3 Ų38.30%0.00426%0.263CS..  trans-85.713.4172.5-74.5-96.1000112.8E51 L55 L58 L63 H124 F147 A148E51-F145 HydrophobicContact CG-CB 4.42Å; L55-F145 HydrophobicContact CD2-CD2 3.8Å; L55-F145 HydrophobicContact CD2-CE2 4.41Å; L55-F145 HydrophobicContact CD2-CG 4.33Å; L58-F145 HydrophobicContact CD1-CD1 4.12Å; L58-F145 HydrophobicContact CD1-CE1 3.8Å; L58-F145 HydrophobicContact CD1-CZ 4.49Å; L63-F145 HydrophobicContact CD1-CZ 4.24Å; L63-F145 HydrophobicContact CD2-CE2 4.27Å; L63-F145 HydrophobicContact CD2-CZ 3.76Å; H124-F145 AromaticContact CD2-CE1 3.87Å; H124-F145 AromaticContact CD2-CZ 3.78Å; H124-F145 AromaticContact NE2-CE2 3.98Å; H124-F145 AromaticContact NE2-CZ 3.87Å; F145-F147 VanDerWaalsContact C-N 3.26Å; F145-F147 PolarHBondContact O-N 3.22Å; F145-A148 HydrophobicContact CB-CB 4.07Å; F145-A148 HydrophobicContact CD1-CB 3.73Å; F145-A148 HydrophobicContact CG-CB 4.37Å; F145-A148 WeakPolarHBondContact O-CB 3.46Å; F145-A148 PolarHBondContact O-N 2.9Å
146G66.1Low73.9Confident6 Ų640.6 Ų40.66%0.06227%0.272CS..THydrogen-bonded Turntrans-60-34.1-178.900000113.5D144D144-G146 PolarHBondContact O-N 3.38Å; D144-G146 PolarHBondContact OD1-N 2.92Å
147F63.5Low71.6Confident25 Ų2537.6 Ų37.611%0.1127%0.274CS..THydrogen-bonded Turntrans-88.3-9.9175.4-67.4-70.6000114.7Y15 R125 D126 F145 R149 A163Y15-F147 HydrophobicContact CD2-CZ 4.44Å; Y15-F147 HydrophobicContact CE2-CE1 4.16Å; Y15-F147 AromaticContact CE2-CE2 3.77Å; Y15-F147 HydrophobicContact CE2-CE2 3.77Å; Y15-F147 AromaticContact CE2-CZ 3.35Å; Y15-F147 HydrophobicContact CE2-CZ 3.35Å; Y15-F147 AromaticContact CZ-CE1 3.93Å; Y15-F147 AromaticContact CZ-CZ 3.56Å; Y15-F147 WeakPolarHBondContact OH-CE1 3.49Å; Y15-F147 VanDerWaalsContact OH-CZ 3.23Å; Y15-F147 WeakPolarHBondContact OH-CZ 3.46Å; R125-F147 HydrophobicContact CB-CB 4.37Å; R125-F147 WeakPolarHBondContact CD-O 3.46Å; R125-F147 PolarHBondContact NH1-O 2.98Å; D126-F147 HydrophobicContact CB-CB 4.35Å; D126-F147 HydrophobicContact CB-CD2 3.57Å; D126-F147 HydrophobicContact CB-CE2 4.22Å; D126-F147 HydrophobicContact CB-CG 4.31Å; F145-F147 VanDerWaalsContact C-N 3.26Å; F145-F147 PolarHBondContact O-N 3.22Å; F147-R149 WeakPolarHBondContact O-CG 3.46Å; F147-A163 HydrophobicContact CZ-CB 4.27Å
148A65.1Low69.5Low0 Ų041 Ų410%029%0.285CS..  trans-69.3142.7-168.600000112.1R50 L54 V122 I123 F145R50-A148 WeakPolarHBondContact CD-O 3.3Å; L54-A148 HydrophobicContact CD1-CB 3.9Å; V122-A148 HydrophobicContact CG1-CB 3.96Å; I123-A148 CarbonylContact O-C 3.56Å; I123-A148 WeakPolarHBondContact O-CA 3.41Å; I123-A148 WeakPolarHBondContact O-CB 3.25Å; F145-A148 HydrophobicContact CB-CB 4.07Å; F145-A148 HydrophobicContact CD1-CB 3.73Å; F145-A148 HydrophobicContact CG-CB 4.37Å; F145-A148 WeakPolarHBondContact O-CB 3.46Å; F145-A148 PolarHBondContact O-N 2.9Å
149R68.7Low67Low34 Ų3442.5 Ų42.513%0.12829%0.291CS..EExtended strand (participates in β ladder)trans-132.8139.3-175.6-54.5-17590.8-120-7.9111.3V122 I123 F147 A153 E156 Y179V122-R149 WeakPolarHBondContact CA-O 3.5Å; I123-R149 PolarHBondContact N-O 2.92Å; I123-R149 PolarHBondContact O-N 2.79Å; F147-R149 WeakPolarHBondContact O-CG 3.46Å; R149-A153 VanDerWaalsContact CZ-O 3.26Å; R149-A153 PolarHBondContact NH1-O 3.41Å; R149-A153 PolarHBondContact NH2-O 3.45Å; R149-E156 IonicContact CZ-OE2 2.7Å; R149-E156 IonicContact NE-OE2 3.4Å; R149-E156 IonicContact NH2-OE2 2.64Å; R149-E156 PolarHBondContact NH2-OE2 3.33Å; R149-Y179 VanDerWaalsContact CD-OH 3.25Å; R149-Y179 WeakPolarHBondContact CD-OH 3.45Å; R149-Y179 PolarHBondContact NH1-OH 3.23Å
150A66.3Low64.4Low50 Ų5046.8 Ų46.841%0.41331%0.314SS..EExtended strand (participates in β ladder)trans-73.4135.2166.500000109.8N121 G152 A153N121-A150 CarbonylContact O-C 3.58Å; N121-A150 WeakPolarHBondContact O-CA 3.13Å; A150-G152 PolarHBondContact O-N 2.86Å; A150-A153 VanDerWaalsContact O-CB 3.3Å; A150-A153 WeakPolarHBondContact O-CB 3.44Å; A150-A153 PolarHBondContact O-N 3.32Å; A150-A153 VanDerWaalsContact O-N 3.16Å
151L57.6Low61.9Low94 Ų9452.9 Ų52.949%0.49234%0.337SS..THydrogen-bonded Turntrans-59.3133.4175.5-165.569.1000109.9N121 I123N121-L151 HydrophobicContact CB-CB 4.15Å; N121-L151 PolarHBondContact O-N 2.93Å; I123-L151 HydrophobicContact CD1-CD1 4.15Å
152G47.8Very low59.6Low74 Ų7456.4 Ų56.476%0.76336%0.36SS*.THydrogen-bonded Turntrans92.4-6.6-173.900000115.5A150 S154A150-G152 PolarHBondContact O-N 2.86Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.37Å
153A52.7Low57.9Low43 Ų4358 Ų5836%0.35537%0.373SS..  trans-75.178172.500000112.1R149 A150R149-A153 VanDerWaalsContact CZ-O 3.26Å; R149-A153 PolarHBondContact NH1-O 3.41Å; R149-A153 PolarHBondContact NH2-O 3.45Å; A150-A153 VanDerWaalsContact O-CB 3.3Å; A150-A153 WeakPolarHBondContact O-CB 3.44Å; A150-A153 PolarHBondContact O-N 3.32Å; A150-A153 VanDerWaalsContact O-N 3.16Å
154S41.4Very low57Low111 Ų11159 Ų5978%0.77638%0.38SS*.  trans-66.4154.117853.80000113.7G152G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.37Å
155G48.2Very low57.4Low83 Ų8359.2 Ų59.286%0.85638%0.377SS*.  trans81.140.5156.400000117.4
156E47.5Very low58.3Low59 Ų5963 Ų6328%0.27639%0.392SS..  trans-120.3130.7165.1-64.4177.4156.500109.9K46 R50 R149K46-E156 WeakPolarHBondContact CE-OE1 3.4Å; K46-E156 IonicContact NZ-OE1 2.83Å; K46-E156 PolarHBondContact NZ-OE1 2.78Å; R50-E156 IonicContact CZ-OE1 2.65Å; R50-E156 IonicContact CZ-OE2 2.75Å; R50-E156 VanDerWaalsContact CZ-OE2 3.25Å; R50-E156 IonicContact NH1-OE1 3.49Å; R50-E156 IonicContact NH1-OE2 2.74Å; R50-E156 PolarHBondContact NH1-OE2 2.78Å; R50-E156 IonicContact NH2-OE1 3.18Å; R50-E156 PolarHBondContact NH2-OE1 2.8Å; R50-E156 IonicContact NH2-OE2 2.85Å; R50-E156 PolarHBondContact NH2-OE2 2.93Å; R149-E156 IonicContact CZ-OE2 2.7Å; R149-E156 IonicContact NE-OE2 3.4Å; R149-E156 IonicContact NH2-OE2 2.64Å; R149-E156 PolarHBondContact NH2-OE2 3.33Å
157A45.7Very low59.7Low97 Ų9763.8 Ų63.880%0.80239%0.393SS*.  trans-60.3149.8172.900000110.9
158Y49.1Very low61.2Low91 Ų9165.7 Ų65.736%0.35740%0.399SS..  trans-66.9134.9173.9-71.3-76.8000110.4D176 Y179Y158-D176 PolarHBondContact OH-O 2.69Å; Y158-Y179 HydrophobicContact CE1-CE1 4.16Å; Y158-Y179 AromaticContact CZ-CE1 3.9Å; Y158-Y179 VanDerWaalsContact OH-CD1 3.29Å; Y158-Y179 WeakPolarHBondContact OH-CD1 3.16Å; Y158-Y179 WeakPolarHBondContact OH-CE1 3.39Å
159T45.6Very low62.7Low46 Ų4665.7 Ų65.728%0.28240%0.399SS..  trans-82112.6171.257.20000108.1M43M43-T159 HydrophobicContact CE-CG2 3.55Å; M43-T159 HydrophobicContact SD-CG2 4.31Å
160D42.8Very low64.1Low94 Ų9464 Ų6450%0.50339%0.393SS..  trans-91160.5-155.6-145.53.4000115.6V162D160-V162 PolarHBondContact O-N 3.03Å
161Y46.3Very low65.4Low127 Ų12761.8 Ų61.850%0.49837%0.374SS..SBendtrans53.816.2155.8-101.4-89.4000123.6D207Y161-D207 PolarHBondContact OH-OD2 3.15Å
162V49.7Very low67.1Low93 Ų9358.6 Ų58.656%0.56436%0.358SS*.  trans-134.249.5173-149.30000115.5S14 D160S14-V162 VanDerWaalsContact OG-CG1 3.23Å; S14-V162 WeakPolarHBondContact OG-CG1 3.43Å; S14-V162 PolarHBondContact OG-O 3.48Å; D160-V162 PolarHBondContact O-N 3.03Å
163A59.6Low69.2Low33 Ų3355.4 Ų55.427%0.27332%0.323SS..SBendtrans-150.1151.517500000113.7F147 R165F147-A163 HydrophobicContact CZ-CB 4.27Å; A163-R165 PolarHBondContact O-N 3.06Å
164T74.4Confident71.1Confident43 Ų4353.4 Ų53.426%0.26431%0.306SS..  trans-58.799.7-176.2-36.20000112.4K128 E130 W166 Y167K128-T164 PolarHBondContact NZ-OG1 3.07Å; E130-T164 PolarHBondContact OE1-OG1 2.86Å; E130-T164 VanDerWaalsContact OE1-OG1 3.11Å; T164-W166 VanDerWaalsContact C-N 3.25Å; T164-W166 HydrophobicContact CG2-CD2 3.99Å; T164-W166 HydrophobicContact CG2-CE3 4.08Å; T164-W166 HydrophobicContact CG2-CG 4.18Å; T164-W166 PolarHBondContact O-N 3.29Å; T164-Y167 HydrophobicContact CG2-CD2 4.4Å; T164-Y167 HydrophobicContact CG2-CE2 3.91Å
165R89.9Confident73.3Confident39 Ų3949.3 Ų49.315%0.14728%0.282CS..G310 helixtrans-72.6-10.3-171.870.6173.663.277.5-6.3115.8A163 Y167 R168 G204 D205 S206 D207 Q210A163-R165 PolarHBondContact O-N 3.06Å; R165-Y167 PolarHBondContact O-N 2.7Å; R165-R168 HydrophobicContact CB-CG 4.44Å; R165-R168 WeakPolarHBondContact O-CB 3.31Å; R165-R168 WeakPolarHBondContact O-CG 3.31Å; R165-R168 PolarHBondContact O-N 2.9Å; R165-G204 WeakPolarHBondContact CD-O 3.41Å; R165-G204 WeakPolarHBondContact CG-O 3.2Å; R165-G204 PolarHBondContact NH1-O 3.37Å; R165-D205 PolarHBondContact NH1-O 3Å; R165-S206 VanDerWaalsContact CD-C 3.42Å; R165-S206 WeakPolarHBondContact CD-O 3.15Å; R165-D207 WeakPolarHBondContact CD-OD1 3.46Å; R165-D207 IonicContact NE-OD1 3.5Å; R165-D207 PolarHBondContact NE-OD1 3.42Å; R165-D207 VanDerWaalsContact NE-OD1 3.11Å; R165-Q210 HydrophobicContact CG-CB 4.48Å; R165-Q210 HydrophobicContact CG-CG 4.45Å
166W95.7Very high75.3Confident82 Ų8245.6 Ų45.631%0.31124%0.242SC..G310 helixtrans-60-22.4-170-55.8-15.2000114.9T164 P200 F202 P203 G204 Q210T164-W166 VanDerWaalsContact C-N 3.25Å; T164-W166 HydrophobicContact CG2-CD2 3.99Å; T164-W166 HydrophobicContact CG2-CE3 4.08Å; T164-W166 HydrophobicContact CG2-CG 4.18Å; T164-W166 PolarHBondContact O-N 3.29Å; W166-P200 HydrophobicContact CD2-CB 4.39Å; W166-P200 HydrophobicContact CE3-CB 3.62Å; W166-P200 HydrophobicContact CE3-CG 4.08Å; W166-P200 HydrophobicContact CH2-CG 4.42Å; W166-P200 HydrophobicContact CZ3-CB 3.87Å; W166-P200 HydrophobicContact CZ3-CG 3.84Å; W166-F202 VanDerWaalsContact CA-O 3.31Å; W166-F202 WeakPolarHBondContact CA-O 3.42Å; W166-F202 VanDerWaalsContact CB-O 3.31Å; W166-F202 WeakPolarHBondContact CB-O 3.44Å; W166-P203 VanDerWaalsContact CD1-CA 3.49Å; W166-P203 HydrophobicContact CD2-CB 4.17Å; W166-P203 HydrophobicContact CZ2-CB 4.11Å; W166-G204 PolarHBondContact NE1-O 2.82Å; W166-Q210 PolarHBondContact O-NE2 3.11Å
167Y96.6Very high77.1Confident21 Ų2149.3 Ų49.38%0.08226%0.263CS..G310 helixtrans-101.9-1.1-178.6-48.1-84.9000113.3I127 K128 P129 T164 R165 C190 L191 E194I127-Y167 VanDerWaalsContact O-CB 3.26Å; I127-Y167 WeakPolarHBondContact O-CB 3.18Å; I127-Y167 VanDerWaalsContact O-CG 3.31Å; K128-Y167 HydrophobicContact CB-CD1 4.44Å; K128-Y167 HydrophobicContact CB-CD2 3.5Å; K128-Y167 VanDerWaalsContact CB-CD2 3.5Å; K128-Y167 HydrophobicContact CB-CE1 4.42Å; K128-Y167 HydrophobicContact CB-CE2 3.49Å; K128-Y167 VanDerWaalsContact CB-CE2 3.49Å; K128-Y167 HydrophobicContact CB-CG 4.02Å; P129-Y167 VanDerWaalsContact CD-CZ 3.41Å; P129-Y167 WeakPolarHBondContact CD-OH 3.48Å; T164-Y167 HydrophobicContact CG2-CD2 4.4Å; T164-Y167 HydrophobicContact CG2-CE2 3.91Å; R165-Y167 PolarHBondContact O-N 2.7Å; Y167-C190 HydrophobicContact CD1-CB 4.01Å; Y167-C190 HydrophobicContact CE1-CB 4.47Å; Y167-L191 HydrophobicContact CE1-CD2 4.07Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.37Å; Y167-E194 PolarHBondContact OH-OE1 3.29Å; Y167-E194 VanDerWaalsContact OH-OE1 3.06Å; Y167-E194 PolarHBondContact OH-OE2 2.8Å; Y167-E194 VanDerWaalsContact OH-OE2 3.11Å
168R95.1Very high79Confident65 Ų6552.5 Ų52.525%0.24526%0.258CS..  trans-70.1133.2-179.6-68.5179.7177.6-175.7-10.2110.8R165 L172 L173 W186 D207R165-R168 HydrophobicContact CB-CG 4.44Å; R165-R168 WeakPolarHBondContact O-CB 3.31Å; R165-R168 WeakPolarHBondContact O-CG 3.31Å; R165-R168 PolarHBondContact O-N 2.9Å; R168-L172 HydrophobicContact CB-CB 4.49Å; R168-L173 HydrophobicContact CB-CD1 4.42Å; R168-L173 HydrophobicContact CB-CD2 3.85Å; R168-L173 HydrophobicContact CB-CG 3.96Å; R168-W186 PolarHBondContact O-NE1 2.95Å; R168-W186 VanDerWaalsContact O-NE1 3.15Å; R168-D207 IonicContact NH1-OD1 2.7Å; R168-D207 PolarHBondContact NH1-OD1 3.21Å; R168-D207 IonicContact NH1-OD2 3.83Å
169A96.6Very high80.8Confident0 Ų049.6 Ų49.60%025%0.247CC..  trans-72.8155173.400000111.9E171 L172 L173 V183 W186A169-E171 VanDerWaalsContact C-N 3.27Å; A169-E171 VanDerWaalsContact CB-CD 3.47Å; A169-E171 HydrophobicContact CB-CG 4.31Å; A169-E171 WeakPolarHBondContact CB-OE1 3.49Å; A169-E171 WeakPolarHBondContact CB-OE2 3.19Å; A169-E171 PolarHBondContact O-N 2.98Å; A169-L172 WeakPolarHBondContact O-CB 3.5Å; A169-L172 PolarHBondContact O-N 3.42Å; A169-L173 PolarHBondContact O-N 2.82Å; A169-V183 HydrophobicContact CB-CB 4.24Å; A169-V183 HydrophobicContact CB-CG1 4.18Å; A169-W186 VanDerWaalsContact CA-CD1 3.46Å; A169-W186 HydrophobicContact CB-CB 3.74Å; A169-W186 HydrophobicContact CB-CD2 4.18Å; A169-W186 HydrophobicContact CB-CG 3.63Å
170P96.8Very high83Confident0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-54.4-39.2-177.2-26.534.5000114L172 L173 V174 W186 I214 L221 I270P170-L172 VanDerWaalsContact C-N 3.27Å; P170-L172 PolarHBondContact O-N 3.46Å; P170-L173 PolarHBondContact O-N 2.9Å; P170-L173 VanDerWaalsContact O-N 3.17Å; P170-V174 PolarHBondContact O-N 3.41Å; P170-V174 VanDerWaalsContact O-N 3.1Å; P170-W186 HydrophobicContact CG-CE3 4.45Å; P170-W186 HydrophobicContact CG-CH2 3.74Å; P170-W186 HydrophobicContact CG-CZ2 4.06Å; P170-W186 HydrophobicContact CG-CZ3 3.96Å; P170-I214 HydrophobicContact CG-CG2 4.27Å; P170-L221 HydrophobicContact CB-CD2 4.03Å; P170-I270 HydrophobicContact CG-CD1 4.23Å
171E95.2Very high85.5Confident2 Ų246.9 Ų46.91%0.00923%0.232CC..Hα-helixtrans-61.1-31.9177.460.1-90.2-151.800113.3A169 G175 D176 V183 H225 R275A169-E171 VanDerWaalsContact C-N 3.27Å; A169-E171 VanDerWaalsContact CB-CD 3.47Å; A169-E171 HydrophobicContact CB-CG 4.31Å; A169-E171 WeakPolarHBondContact CB-OE1 3.49Å; A169-E171 WeakPolarHBondContact CB-OE2 3.19Å; A169-E171 PolarHBondContact O-N 2.98Å; E171-G175 PolarHBondContact O-N 2.8Å; E171-D176 HydrophobicContact CB-CB 4.17Å; E171-D176 VanDerWaalsContact O-CB 3.31Å; E171-D176 WeakPolarHBondContact O-CB 3.48Å; E171-D176 PolarHBondContact O-N 2.72Å; E171-V183 HydrophobicContact CG-CG1 3.98Å; E171-V183 WeakPolarHBondContact OE1-CG1 3.28Å; E171-H225 IonicContact OE2-CE1 2.73Å; E171-R275 IonicContact OE1-CZ 3.07Å; E171-R275 IonicContact OE1-NH1 3.1Å; E171-R275 PolarHBondContact OE1-NH1 2.84Å; E171-R275 IonicContact OE1-NH2 2.72Å; E171-R275 IonicContact OE2-CZ 3.91Å; E171-R275 IonicContact OE2-NH1 2.69Å; E171-R275 PolarHBondContact OE2-NH1 2.96Å; E171-R275 IonicContact OE2-NH2 2.86Å; E171-R275 PolarHBondContact OE2-NH2 3.32Å
172L92.1Very high87.9Confident28 Ų2841.7 Ų41.715%0.14722%0.216CC..Hα-helixtrans-76.3-34.9176.3-64.8177.5000111.5R168 A169 P170 G175 Y179 V183R168-L172 HydrophobicContact CB-CB 4.49Å; A169-L172 WeakPolarHBondContact O-CB 3.5Å; A169-L172 PolarHBondContact O-N 3.42Å; P170-L172 VanDerWaalsContact C-N 3.27Å; P170-L172 PolarHBondContact O-N 3.46Å; L172-G175 PolarHBondContact O-N 2.86Å; L172-Y179 HydrophobicContact CD2-CD1 3.99Å; L172-Y179 HydrophobicContact CD2-CD2 3.99Å; L172-Y179 HydrophobicContact CD2-CE1 4.37Å; L172-Y179 HydrophobicContact CD2-CE2 4.37Å; L172-Y179 HydrophobicContact CD2-CG 3.79Å; L172-V183 HydrophobicContact CD1-CB 4Å; L172-V183 HydrophobicContact CD1-CG1 3.93Å; L172-V183 HydrophobicContact CD2-CG1 4.17Å; L172-V183 HydrophobicContact CG-CG1 3.88Å
173L92.8Very high90.2Very high6 Ų637.4 Ų37.43%0.03119%0.19CC..Hα-helixtrans-73.3-33.3-178.3-65.5166.2000112.6R168 A169 P170 G175 D207 Q210 L211 I214 F235R168-L173 HydrophobicContact CB-CD1 4.42Å; R168-L173 HydrophobicContact CB-CD2 3.85Å; R168-L173 HydrophobicContact CB-CG 3.96Å; A169-L173 PolarHBondContact O-N 2.82Å; P170-L173 PolarHBondContact O-N 2.9Å; P170-L173 VanDerWaalsContact O-N 3.17Å; L173-G175 VanDerWaalsContact C-N 3.31Å; L173-D207 HydrophobicContact CD2-CB 3.93Å; L173-D207 WeakPolarHBondContact CD2-OD1 3.49Å; L173-Q210 HydrophobicContact CD1-CB 4.08Å; L173-Q210 HydrophobicContact CD1-CG 3.46Å; L173-Q210 VanDerWaalsContact CD1-CG 3.46Å; L173-Q210 HydrophobicContact CD2-CB 4.11Å; L173-Q210 HydrophobicContact CD2-CG 3.86Å; L173-Q210 HydrophobicContact CG-CG 4.32Å; L173-L211 HydrophobicContact CB-CD1 4.32Å; L173-L211 HydrophobicContact CB-CD2 3.83Å; L173-L211 HydrophobicContact CB-CG 3.99Å; L173-L211 HydrophobicContact CD1-CD2 3.88Å; L173-L211 HydrophobicContact CD1-CG 4.19Å; L173-I214 HydrophobicContact CD1-CD1 3.57Å; L173-F235 WeakPolarHBondContact O-CE2 3.29Å; L173-F235 VanDerWaalsContact O-CZ 3.32Å; L173-F235 WeakPolarHBondContact O-CZ 3.5Å
174V92.3Very high92Very high1 Ų135.9 Ų35.91%0.00618%0.177CC..THydrogen-bonded Turntrans-81.8-9.8173.8-55.40000113.3P170 D176 L211 L221 H225 L228 F229 N232P170-V174 PolarHBondContact O-N 3.41Å; P170-V174 VanDerWaalsContact O-N 3.1Å; V174-D176 HydrophobicContact CG2-CB 4.48Å; V174-L211 HydrophobicContact CG1-CD1 4.22Å; V174-L211 HydrophobicContact CG1-CD2 4.5Å; V174-L221 HydrophobicContact CG1-CD1 4.01Å; V174-H225 HydrophobicContact CG1-CB 4.27Å; V174-H225 HydrophobicContact CG2-CB 4.11Å; V174-L228 HydrophobicContact CB-CB 4.41Å; V174-L228 HydrophobicContact CG2-CB 4.1Å; V174-L228 HydrophobicContact CG2-CD1 4.42Å; V174-F229 HydrophobicContact CB-CB 4.29Å; V174-F229 HydrophobicContact CG1-CB 4.04Å; V174-F229 HydrophobicContact CG1-CD2 4.42Å; V174-N232 PolarHBondContact O-ND2 3.07Å
175G88Confident93.2Very high26 Ų2634 Ų3427%0.26817%0.166SC..THydrogen-bonded Turntrans84.625.2179.300000115.1E171 L172 L173 I177E171-G175 PolarHBondContact O-N 2.8Å; L172-G175 PolarHBondContact O-N 2.86Å; L173-G175 VanDerWaalsContact C-N 3.31Å; G175-I177 PolarHBondContact O-N 3.31Å
176D89.4Confident93.6Very high5 Ų532.1 Ų32.13%0.02716%0.159CC..  trans-60138.5173.7-160.2-35.1000109.9Y158 E171 V174 K178 Y179 R224 L228Y158-D176 PolarHBondContact OH-O 2.69Å; E171-D176 HydrophobicContact CB-CB 4.17Å; E171-D176 VanDerWaalsContact O-CB 3.31Å; E171-D176 WeakPolarHBondContact O-CB 3.48Å; E171-D176 PolarHBondContact O-N 2.72Å; V174-D176 HydrophobicContact CG2-CB 4.48Å; D176-K178 WeakPolarHBondContact OD1-CA 3.48Å; D176-K178 WeakPolarHBondContact OD1-CB 3.32Å; D176-K178 PolarHBondContact OD1-N 2.87Å; D176-Y179 WeakPolarHBondContact O-CD1 3.36Å; D176-R224 IonicContact OD1-NH2 3.83Å; D176-R224 PolarHBondContact OD1-NH2 2.95Å; D176-R224 IonicContact OD2-CZ 3.27Å; D176-R224 IonicContact OD2-NE 3.08Å; D176-R224 PolarHBondContact OD2-NE 3.27Å; D176-R224 IonicContact OD2-NH2 2.77Å; D176-R224 PolarHBondContact OD2-NH2 2.75Å; D176-L228 HydrophobicContact CB-CD1 3.64Å; D176-L228 VanDerWaalsContact CG-CD1 3.4Å; D176-L228 WeakPolarHBondContact OD2-CD1 3.48Å
177I84.7Confident93.7Very high136 Ų13628.4 Ų28.470%0.69715%0.145SC*.SBendtrans-97.3-10.5177.662.4172.7000112.8G175G175-I177 PolarHBondContact O-N 3.31Å
178K85.5Confident93.8Very high165 Ų16527.4 Ų27.472%0.71714%0.142SC*.  trans-102.839.4179-58.9178.3-178176.10111.3D176 R224D176-K178 WeakPolarHBondContact OD1-CA 3.48Å; D176-K178 WeakPolarHBondContact OD1-CB 3.32Å; D176-K178 PolarHBondContact OD1-N 2.87Å; K178-R224 PolarHBondContact O-NH2 2.74Å
179Y88.6Confident94Very high29 Ų2924.3 Ų24.311%0.11413%0.13CC..  trans-77.3160.1170.163.7-86.1000111.1I123 R125 R149 Y158 L172 D176 V183I123-Y179 HydrophobicContact CD1-CD2 4.48Å; I123-Y179 HydrophobicContact CD1-CE2 4.49Å; R125-Y179 PolarHBondContact NE-OH 3.02Å; R149-Y179 VanDerWaalsContact CD-OH 3.25Å; R149-Y179 WeakPolarHBondContact CD-OH 3.45Å; R149-Y179 PolarHBondContact NH1-OH 3.23Å; Y158-Y179 HydrophobicContact CE1-CE1 4.16Å; Y158-Y179 AromaticContact CZ-CE1 3.9Å; Y158-Y179 VanDerWaalsContact OH-CD1 3.29Å; Y158-Y179 WeakPolarHBondContact OH-CD1 3.16Å; Y158-Y179 WeakPolarHBondContact OH-CE1 3.39Å; L172-Y179 HydrophobicContact CD2-CD1 3.99Å; L172-Y179 HydrophobicContact CD2-CD2 3.99Å; L172-Y179 HydrophobicContact CD2-CE1 4.37Å; L172-Y179 HydrophobicContact CD2-CE2 4.37Å; L172-Y179 HydrophobicContact CD2-CG 3.79Å; D176-Y179 WeakPolarHBondContact O-CD1 3.36Å; Y179-V183 HydrophobicContact CD2-CG1 4.25Å; Y179-V183 HydrophobicContact CG-CG1 4.49Å
180G91.3Very high94.1Very high20 Ų2024.4 Ų24.421%0.20613%0.13CC..  trans-143-160-176.600000113.3A182 V183G180-A182 PolarHBondContact O-N 3Å; G180-V183 WeakPolarHBondContact O-CG2 3.2Å; G180-V183 PolarHBondContact O-N 2.74Å
181K95.2Very high94.1Very high63 Ų6324.4 Ų24.427%0.27413%0.13SC..THydrogen-bonded Turntrans-53.1-26.5179.6-67.3175.4-171.5-178.60113.6H118 N121 I123 V183 D184H118-K181 HydrophobicContact CB-CD 3.98Å; H118-K181 PolarHBondContact CE1-O 2.99Å; H118-K181 VanDerWaalsContact CE1-O 3.22Å; H118-K181 VanDerWaalsContact O-CE 3.29Å; H118-K181 WeakPolarHBondContact O-CE 3.41Å; H118-K181 PolarHBondContact O-NZ 2.88Å; N121-K181 WeakPolarHBondContact OD1-CE 3.29Å; N121-K181 PolarHBondContact OD1-NZ 3.48Å; I123-K181 HydrophobicContact CG1-CG 4.29Å; K181-V183 PolarHBondContact O-N 3.47Å; K181-V183 VanDerWaalsContact O-N 3.15Å; K181-D184 PolarHBondContact O-N 3.36Å
182A97.3Very high94.3Very high18 Ų1824.4 Ų24.415%0.14913%0.13CC..Hα-helixtrans-57-21.417700000115.1G180 V185 W186 P272 R275G180-A182 PolarHBondContact O-N 3Å; A182-V185 PolarHBondContact O-N 2.69Å; A182-W186 PolarHBondContact O-N 3.07Å; A182-W186 VanDerWaalsContact O-N 3.12Å; A182-P272 HydrophobicContact CB-CB 3.8Å; A182-R275 HydrophobicContact CB-CB 4.5Å; A182-R275 WeakPolarHBondContact O-CD 3.24Å; A182-R275 PolarHBondContact O-NH1 2.83Å
183V96.6Very high94.6Very high4 Ų423.1 Ų23.12%0.02412%0.124CC..Hα-helixtrans-69.7-35.6177.3-55.20000112.4I123 R125 A169 E171 L172 Y179 G180 K181 V185 W186 A187I123-V183 HydrophobicContact CG2-CG2 3.49Å; I123-V183 VanDerWaalsContact CG2-CG2 3.49Å; R125-V183 HydrophobicContact CG-CG2 4.24Å; A169-V183 HydrophobicContact CB-CB 4.24Å; A169-V183 HydrophobicContact CB-CG1 4.18Å; E171-V183 HydrophobicContact CG-CG1 3.98Å; E171-V183 WeakPolarHBondContact OE1-CG1 3.28Å; L172-V183 HydrophobicContact CD1-CB 4Å; L172-V183 HydrophobicContact CD1-CG1 3.93Å; L172-V183 HydrophobicContact CD2-CG1 4.17Å; L172-V183 HydrophobicContact CG-CG1 3.88Å; Y179-V183 HydrophobicContact CD2-CG1 4.25Å; Y179-V183 HydrophobicContact CG-CG1 4.49Å; G180-V183 WeakPolarHBondContact O-CG2 3.2Å; G180-V183 PolarHBondContact O-N 2.74Å; K181-V183 PolarHBondContact O-N 3.47Å; K181-V183 VanDerWaalsContact O-N 3.15Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-W186 PolarHBondContact O-N 2.92Å; V183-A187 PolarHBondContact O-N 3.1Å
184D97.9Very high94.8Very high1 Ų123.3 Ų23.31%0.00513%0.125CC..Hα-helixtrans-71.8-34.4177.8-59.1-32000110.3I114 H118 I123 H124 R125 K181 A187 I188I114-D184 HydrophobicContact CG2-CB 3.82Å; H118-D184 IonicContact CD2-OD2 2.68Å; H118-D184 IonicContact CE1-OD2 3.69Å; H118-D184 IonicContact NE2-OD2 3.42Å; H118-D184 PolarHBondContact NE2-OD2 2.62Å; I123-D184 WeakPolarHBondContact CA-OD2 3.36Å; I123-D184 VanDerWaalsContact CG2-OD2 3.31Å; I123-D184 WeakPolarHBondContact CG2-OD2 3.46Å; H124-D184 PolarHBondContact N-OD1 3.26Å; H124-D184 PolarHBondContact N-OD2 3.1Å; R125-D184 PolarHBondContact N-OD1 3.49Å; K181-D184 PolarHBondContact O-N 3.36Å; D184-A187 PolarHBondContact O-N 3.04Å; D184-I188 WeakPolarHBondContact O-CD1 3.47Å; D184-I188 WeakPolarHBondContact O-CG1 3.48Å; D184-I188 PolarHBondContact O-N 3.04Å
185V98.8Very high95.1Very high3 Ų323.3 Ų23.32%0.01812%0.124CC..Hα-helixtrans-63.5-42.4174.7173.50000111.3A182 V183 I188 G189 C267 R275 P276 L281A182-V185 PolarHBondContact O-N 2.69Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V185-I188 WeakPolarHBondContact O-CB 3.48Å; V185-I188 PolarHBondContact O-N 3.08Å; V185-G189 PolarHBondContact O-N 3.13Å; V185-C267 HydrophobicContact CG1-CB 4.16Å; V185-C267 WeakPolarHBondContact O-CB 3.25Å; V185-R275 HydrophobicContact CB-CB 4.5Å; V185-R275 HydrophobicContact CG1-CB 3.91Å; V185-P276 WeakPolarHBondContact CG2-O 3.49Å; V185-L281 HydrophobicContact CG1-CD1 4.18Å
186W98.7Very high95.6Very high0 Ų023.1 Ų23.10%012%0.117CC..Hα-helixtrans-59.7-47174.2176.6-84.9000112.1R168 A169 P170 A182 V183 I188 G189 C190 F202 I214 L218 L268 I270R168-W186 PolarHBondContact O-NE1 2.95Å; R168-W186 VanDerWaalsContact O-NE1 3.15Å; A169-W186 VanDerWaalsContact CA-CD1 3.46Å; A169-W186 HydrophobicContact CB-CB 3.74Å; A169-W186 HydrophobicContact CB-CD2 4.18Å; A169-W186 HydrophobicContact CB-CG 3.63Å; P170-W186 HydrophobicContact CG-CE3 4.45Å; P170-W186 HydrophobicContact CG-CH2 3.74Å; P170-W186 HydrophobicContact CG-CZ2 4.06Å; P170-W186 HydrophobicContact CG-CZ3 3.96Å; A182-W186 PolarHBondContact O-N 3.07Å; A182-W186 VanDerWaalsContact O-N 3.12Å; V183-W186 PolarHBondContact O-N 2.92Å; W186-I188 VanDerWaalsContact C-N 3.35Å; W186-I188 PolarHBondContact O-N 2.77Å; W186-G189 VanDerWaalsContact O-CA 3.3Å; W186-G189 WeakPolarHBondContact O-CA 3.33Å; W186-G189 PolarHBondContact O-N 3.05Å; W186-C190 PolarHBondContact O-N 3.12Å; W186-C190 VanDerWaalsContact O-N 3.13Å; W186-F202 HydrophobicContact CH2-CE2 4.46Å; W186-F202 HydrophobicContact CZ2-CD2 4.29Å; W186-F202 AromaticContact CZ2-CE2 3.85Å; W186-F202 HydrophobicContact CZ2-CE2 3.85Å; W186-I214 HydrophobicContact CH2-CG2 3.83Å; W186-I214 HydrophobicContact CZ2-CD1 3.78Å; W186-I214 HydrophobicContact CZ2-CG1 3.91Å; W186-I214 HydrophobicContact CZ2-CG2 4.04Å; W186-L218 HydrophobicContact CH2-CD1 3.51Å; W186-L218 HydrophobicContact CZ2-CD1 4.33Å; W186-L218 HydrophobicContact CZ3-CD1 4.11Å; W186-L268 HydrophobicContact CD2-CD2 3.74Å; W186-L268 HydrophobicContact CE3-CB 4.48Å; W186-L268 HydrophobicContact CE3-CD2 3.9Å; W186-L268 HydrophobicContact CG-CD2 4.27Å; W186-L268 HydrophobicContact CH2-CD2 4.22Å; W186-L268 HydrophobicContact CZ2-CD2 4.05Å; W186-L268 HydrophobicContact CZ3-CB 4.26Å; W186-L268 HydrophobicContact CZ3-CD2 4.14Å; W186-I270 HydrophobicContact CH2-CD1 4.09Å; W186-I270 HydrophobicContact CZ3-CD1 4.39Å
187A98.4Very high96Very high4 Ų424.1 Ų24.13%0.03312%0.123CC..Hα-helixtrans-61.9-40.6178.300000112.4I127 V183 D184 G189 C190 L191I127-A187 HydrophobicContact CB-CB 3.75Å; I127-A187 HydrophobicContact CG2-CB 3.93Å; V183-A187 PolarHBondContact O-N 3.1Å; D184-A187 PolarHBondContact O-N 3.04Å; A187-G189 PolarHBondContact O-N 2.96Å; A187-C190 PolarHBondContact O-N 3.27Å; A187-L191 WeakPolarHBondContact O-CG 3.48Å; A187-L191 PolarHBondContact O-N 3.42Å; A187-L191 VanDerWaalsContact O-N 3.16Å
188I98.7Very high96.6Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-55.7-41.5169-69.6158.4000110.7I110 I111 I114 D184 V185 W186 C190 L191 V192I110-I188 HydrophobicContact CG2-CG1 4.16Å; I111-I188 HydrophobicContact CD1-CG2 4.13Å; I111-I188 HydrophobicContact CG1-CD1 4.11Å; I111-I188 HydrophobicContact CG1-CG2 3.94Å; I114-I188 HydrophobicContact CB-CD1 4.33Å; I114-I188 HydrophobicContact CG1-CD1 4.13Å; I114-I188 HydrophobicContact CG2-CD1 4.36Å; D184-I188 WeakPolarHBondContact O-CD1 3.47Å; D184-I188 WeakPolarHBondContact O-CG1 3.48Å; D184-I188 PolarHBondContact O-N 3.04Å; V185-I188 WeakPolarHBondContact O-CB 3.48Å; V185-I188 PolarHBondContact O-N 3.08Å; W186-I188 VanDerWaalsContact C-N 3.35Å; W186-I188 PolarHBondContact O-N 2.77Å; I188-C190 PolarHBondContact O-N 3.1Å; I188-L191 WeakPolarHBondContact O-CB 3.41Å; I188-L191 PolarHBondContact O-N 2.7Å; I188-V192 WeakPolarHBondContact O-CG2 3.39Å; I188-V192 PolarHBondContact O-N 2.81Å; I188-V192 VanDerWaalsContact O-N 3.12Å
189G98.4Very high97.1Very high0 Ų016 Ų160%09%0.092CC..Hα-helixtrans-57.7-43.5175.800000114.3V185 W186 A187 V192V185-G189 PolarHBondContact O-N 3.13Å; W186-G189 VanDerWaalsContact O-CA 3.3Å; W186-G189 WeakPolarHBondContact O-CA 3.33Å; W186-G189 PolarHBondContact O-N 3.05Å; A187-G189 PolarHBondContact O-N 2.96Å; G189-V192 PolarHBondContact O-N 3.42Å
190C98.6Very high97.5Very high2 Ų216.2 Ų16.21%0.01410%0.097CC..Hα-helixtrans-61.5-43.8173.8-66.90000112Y167 W186 A187 I188 V192 T193 E194 L201Y167-C190 HydrophobicContact CD1-CB 4.01Å; Y167-C190 HydrophobicContact CE1-CB 4.47Å; W186-C190 PolarHBondContact O-N 3.12Å; W186-C190 VanDerWaalsContact O-N 3.13Å; A187-C190 PolarHBondContact O-N 3.27Å; I188-C190 PolarHBondContact O-N 3.1Å; C190-V192 VanDerWaalsContact C-N 3.3Å; C190-V192 PolarHBondContact O-N 3.1Å; C190-T193 PolarHBondContact O-N 3.46Å; C190-T193 PolarHBondContact O-OG1 3.21Å; C190-E194 PolarHBondContact O-N 3.23Å; C190-E194 VanDerWaalsContact O-N 3.17Å; C190-L201 HydrophobicContact CB-CB 4.33Å; C190-L201 HydrophobicContact CB-CD2 4.45Å
191L98.5Very high97.8Very high0 Ų015.4 Ų15.40%09%0.088CC..Hα-helixtrans-62.7-32.4-179.9-67.4171.3000113L107 I127 P129 I132 Y167 A187 I188 T193 E194 M195L107-L191 HydrophobicContact CD2-CB 4.42Å; I127-L191 HydrophobicContact CG2-CD1 3.63Å; P129-L191 HydrophobicContact CG-CD2 3.79Å; I132-L191 HydrophobicContact CD1-CD1 3.55Å; I132-L191 HydrophobicContact CD1-CD2 4.24Å; Y167-L191 HydrophobicContact CE1-CD2 4.07Å; A187-L191 WeakPolarHBondContact O-CG 3.48Å; A187-L191 PolarHBondContact O-N 3.42Å; A187-L191 VanDerWaalsContact O-N 3.16Å; I188-L191 WeakPolarHBondContact O-CB 3.41Å; I188-L191 PolarHBondContact O-N 2.7Å; L191-T193 VanDerWaalsContact C-N 3.33Å; L191-T193 PolarHBondContact O-N 3.28Å; L191-E194 PolarHBondContact O-N 2.91Å; L191-M195 HydrophobicContact CB-CE 3.99Å; L191-M195 HydrophobicContact CD1-CE 4.22Å; L191-M195 HydrophobicContact CD2-CE 4.03Å; L191-M195 HydrophobicContact CG-CE 4.31Å; L191-M195 VanDerWaalsContact O-CB 3.26Å; L191-M195 WeakPolarHBondContact O-CB 3.4Å; L191-M195 VanDerWaalsContact O-CG 3.25Å; L191-M195 WeakPolarHBondContact O-CG 3.35Å; L191-M195 PolarHBondContact O-N 3.32Å
192V98.4Very high97.9Very high1 Ų112.4 Ų12.41%0.0068%0.075CC..Hα-helixtrans-57.3-46.9178.8176.50000111.2L107 I188 G189 C190 L196 A260 L263 A264L107-V192 HydrophobicContact CD1-CB 4.41Å; L107-V192 HydrophobicContact CD1-CG1 4.46Å; L107-V192 HydrophobicContact CD1-CG2 3.89Å; L107-V192 HydrophobicContact CD2-CG2 4.2Å; I188-V192 WeakPolarHBondContact O-CG2 3.39Å; I188-V192 PolarHBondContact O-N 2.81Å; I188-V192 VanDerWaalsContact O-N 3.12Å; G189-V192 PolarHBondContact O-N 3.42Å; C190-V192 VanDerWaalsContact C-N 3.3Å; C190-V192 PolarHBondContact O-N 3.1Å; V192-L196 HydrophobicContact CG1-CD1 4.44Å; V192-L196 VanDerWaalsContact O-CD1 3.3Å; V192-L196 WeakPolarHBondContact O-CD1 3.41Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-A260 HydrophobicContact CG1-CB 4.41Å; V192-A260 WeakPolarHBondContact CG1-O 3.45Å; V192-L263 HydrophobicContact CG2-CD2 3.92Å; V192-L263 HydrophobicContact CG2-CG 3.92Å; V192-A264 HydrophobicContact CB-CB 4.14Å; V192-A264 HydrophobicContact CG1-CB 4Å
193T97.7Very high97.9Very high1 Ų113.5 Ų13.51%0.0068%0.08CC..Hα-helixtrans-73.4-46.517837.60000112C190 L191 M195 L196 T197 L201 L249 Y253 L256C190-T193 PolarHBondContact O-N 3.46Å; C190-T193 PolarHBondContact O-OG1 3.21Å; L191-T193 VanDerWaalsContact C-N 3.33Å; L191-T193 PolarHBondContact O-N 3.28Å; T193-M195 PolarHBondContact O-N 2.88Å; T193-L196 CarbonylContact O-C 3.58Å; T193-L196 PolarHBondContact O-N 3.35Å; T193-T197 PolarHBondContact O-N 2.83Å; T193-T197 PolarHBondContact O-OG1 2.87Å; T193-L201 HydrophobicContact CG2-CD1 4.39Å; T193-L249 HydrophobicContact CG2-CD2 4.49Å; T193-Y253 HydrophobicContact CG2-CD2 3.88Å; T193-Y253 HydrophobicContact CG2-CE2 3.74Å; T193-L256 HydrophobicContact CG2-CD1 4.14Å
194E98.4Very high97.8Very high11 Ų1113.3 Ų13.35%0.0518%0.079CC..Hα-helixtrans-62.8-45.5-175.3178.3175.6-130.800112.2L91 P129 Y167 C190 L191 L196 T197 G198 E199 P200L91-E194 HydrophobicContact CD1-CG 4.07Å; P129-E194 WeakPolarHBondContact CG-OE2 3.29Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.37Å; Y167-E194 PolarHBondContact OH-OE1 3.29Å; Y167-E194 VanDerWaalsContact OH-OE1 3.06Å; Y167-E194 PolarHBondContact OH-OE2 2.8Å; Y167-E194 VanDerWaalsContact OH-OE2 3.11Å; C190-E194 PolarHBondContact O-N 3.23Å; C190-E194 VanDerWaalsContact O-N 3.17Å; L191-E194 PolarHBondContact O-N 2.91Å; E194-L196 PolarHBondContact O-N 3.25Å; E194-T197 PolarHBondContact O-N 3.29Å; E194-G198 PolarHBondContact O-N 2.99Å; E194-E199 WeakPolarHBondContact CA-O 3.37Å; E194-E199 WeakPolarHBondContact CB-O 3.45Å; E194-P200 WeakPolarHBondContact OE1-CA 3.47Å; E194-P200 WeakPolarHBondContact OE1-CB 3.03Å
195M98.6Very high97.5Very high0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-61.5-25.3175.4-68-172.3-170.700113V87 L98 V103 L107 I110 I132 L191 T193V87-M195 HydrophobicContact CG1-CE 3.79Å; V87-M195 HydrophobicContact CG1-CG 4.27Å; V87-M195 HydrophobicContact CG1-SD 4.38Å; V87-M195 HydrophobicContact CG2-CE 4.45Å; L98-M195 WeakPolarHBondContact CB-O 3.09Å; L98-M195 PolarHBondContact N-O 3.22Å; V103-M195 HydrophobicContact CB-CB 4.37Å; V103-M195 HydrophobicContact CG1-CB 3.72Å; V103-M195 HydrophobicContact CG1-SD 4.3Å; V103-M195 HydrophobicContact CG2-CB 3.79Å; V103-M195 VanDerWaalsContact CG2-O 3.31Å; V103-M195 WeakPolarHBondContact CG2-O 3.36Å; L107-M195 HydrophobicContact CD2-SD 4.13Å; L107-M195 HydrophobicContact CG-SD 4.32Å; I110-M195 HydrophobicContact CD1-CE 3.49Å; I110-M195 VanDerWaalsContact CD1-CE 3.49Å; I110-M195 HydrophobicContact CD1-SD 4.47Å; I132-M195 HydrophobicContact CD1-CE 4.25Å; L191-M195 HydrophobicContact CB-CE 3.99Å; L191-M195 HydrophobicContact CD1-CE 4.22Å; L191-M195 HydrophobicContact CD2-CE 4.03Å; L191-M195 HydrophobicContact CG-CE 4.31Å; L191-M195 VanDerWaalsContact O-CB 3.26Å; L191-M195 WeakPolarHBondContact O-CB 3.4Å; L191-M195 VanDerWaalsContact O-CG 3.25Å; L191-M195 WeakPolarHBondContact O-CG 3.35Å; L191-M195 PolarHBondContact O-N 3.32Å; T193-M195 PolarHBondContact O-N 2.88Å
196L98.4Very high97.1Very high22 Ų2221.4 Ų21.412%0.11513%0.125CC..Hα-helixtrans-93.7-11179.3-69.8170.6000114.4Y100 V103 V192 T193 E194 L256 A260Y100-L196 HydrophobicContact CD2-CD2 3.98Å; V103-L196 HydrophobicContact CB-CD2 3.94Å; V103-L196 HydrophobicContact CB-CG 4.44Å; V103-L196 HydrophobicContact CG1-CD2 4.05Å; V103-L196 HydrophobicContact CG1-CG 4.03Å; V103-L196 HydrophobicContact CG2-CD2 3.75Å; V103-L196 HydrophobicContact CG2-CG 4.25Å; V192-L196 HydrophobicContact CG1-CD1 4.44Å; V192-L196 VanDerWaalsContact O-CD1 3.3Å; V192-L196 WeakPolarHBondContact O-CD1 3.41Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; T193-L196 CarbonylContact O-C 3.58Å; T193-L196 PolarHBondContact O-N 3.35Å; E194-L196 PolarHBondContact O-N 3.25Å; L196-L256 HydrophobicContact CB-CD2 3.64Å; L196-L256 HydrophobicContact CD1-CD1 4.48Å; L196-L256 HydrophobicContact CD1-CD2 4.08Å; L196-L256 HydrophobicContact CG-CD2 4.4Å; L196-A260 HydrophobicContact CD1-CB 3.61Å
197T97.6Very high96.8Very high26 Ų2622 Ų2216%0.1613%0.129CC..Hα-helixtrans-131.8-12-176.571.20000115.7N96 T193 E194 E199 Y253 L256N96-T197 VanDerWaalsContact C-C 3.43Å; N96-T197 CarbonylContact C-O 3.58Å; N96-T197 VanDerWaalsContact C-O 3.27Å; N96-T197 CarbonylContact O-C 3.16Å; T193-T197 PolarHBondContact O-N 2.83Å; T193-T197 PolarHBondContact O-OG1 2.87Å; E194-T197 PolarHBondContact O-N 3.29Å; T197-E199 PolarHBondContact O-N 3.46Å; T197-E199 PolarHBondContact OG1-N 3.36Å; T197-Y253 HydrophobicContact CG2-CD1 3.82Å; T197-Y253 HydrophobicContact CG2-CE1 3.87Å; T197-L256 HydrophobicContact CG2-CD1 4.3Å; T197-L256 HydrophobicContact CG2-CD2 4.14Å
198G97.1Very high96.5Very high26 Ų2624 Ų2427%0.26814%0.138SC..SBendtrans74.78.8-174.100000113.9E194E194-G198 PolarHBondContact O-N 2.99Å
199E96.1Very high96.3Very high104 Ų10426.1 Ų26.149%0.48615%0.15SC..SBendtrans-119.4127.8-176.4-64.4-174.2162.200111.3E194 T197 L201E194-E199 WeakPolarHBondContact CA-O 3.37Å; E194-E199 WeakPolarHBondContact CB-O 3.45Å; T197-E199 PolarHBondContact O-N 3.46Å; T197-E199 PolarHBondContact OG1-N 3.36Å; E199-L201 PolarHBondContact O-N 3.26Å
200P97.2Very high96.2Very high34 Ų3426.1 Ų26.122%0.22115%0.15CC..  trans-60.9134.2172.424.4-33.9000110.8W166 E194 P203W166-P200 HydrophobicContact CD2-CB 4.39Å; W166-P200 HydrophobicContact CE3-CB 3.62Å; W166-P200 HydrophobicContact CE3-CG 4.08Å; W166-P200 HydrophobicContact CH2-CG 4.42Å; W166-P200 HydrophobicContact CZ3-CB 3.87Å; W166-P200 HydrophobicContact CZ3-CG 3.84Å; E194-P200 WeakPolarHBondContact OE1-CA 3.47Å; E194-P200 WeakPolarHBondContact OE1-CB 3.03Å; P200-P203 HydrophobicContact CB-CB 4.23Å; P200-P203 HydrophobicContact CG-CB 3.89Å; P200-P203 HydrophobicContact CG-CG 4.32Å
201L97.7Very high96Very high3 Ų326 Ų262%0.01615%0.149CC..SBendtrans-65.1-47.9-173.5-178.961.3000112C190 T193 E199 L249 R252 Y253 L268C190-L201 HydrophobicContact CB-CB 4.33Å; C190-L201 HydrophobicContact CB-CD2 4.45Å; T193-L201 HydrophobicContact CG2-CD1 4.39Å; E199-L201 PolarHBondContact O-N 3.26Å; L201-L249 HydrophobicContact CD1-CD2 3.78Å; L201-L249 HydrophobicContact CD2-CD2 4.44Å; L201-R252 VanDerWaalsContact O-CZ 3.31Å; L201-R252 PolarHBondContact O-NH1 3.42Å; L201-R252 PolarHBondContact O-NH2 2.79Å; L201-Y253 HydrophobicContact CD1-CE2 3.67Å; L201-L268 HydrophobicContact CD2-CD1 3.43Å; L201-L268 VanDerWaalsContact CD2-CD1 3.43Å; L201-L268 HydrophobicContact CD2-CD2 4.39Å
202F97.6Very high95.8Very high1 Ų130.6 Ų30.60%0.00417%0.167CC..  trans-130.280-176.9-58-51.8000110.2W166 W186 G204 Q210 H213 I214 C217 L218 L268W166-F202 VanDerWaalsContact CA-O 3.31Å; W166-F202 WeakPolarHBondContact CA-O 3.42Å; W166-F202 VanDerWaalsContact CB-O 3.31Å; W166-F202 WeakPolarHBondContact CB-O 3.44Å; W186-F202 HydrophobicContact CH2-CE2 4.46Å; W186-F202 HydrophobicContact CZ2-CD2 4.29Å; W186-F202 AromaticContact CZ2-CE2 3.85Å; W186-F202 HydrophobicContact CZ2-CE2 3.85Å; F202-G204 PolarHBondContact O-N 3.14Å; F202-G204 VanDerWaalsContact O-N 3.1Å; F202-Q210 PolarHBondContact O-NE2 3.25Å; F202-Q210 PolarHBondContact O-OE1 3.13Å; F202-H213 HydrophobicContact CB-CB 4.12Å; F202-H213 HydrophobicContact CD1-CB 4.09Å; F202-H213 WeakPolarHBondContact CD1-O 3.41Å; F202-H213 WeakPolarHBondContact CE1-O 3.36Å; F202-I214 HydrophobicContact CB-CG1 4.38Å; F202-I214 HydrophobicContact CD1-CG1 4.29Å; F202-I214 HydrophobicContact CD2-CG1 3.76Å; F202-I214 HydrophobicContact CE2-CG1 4.04Å; F202-I214 HydrophobicContact CG-CG1 3.9Å; F202-I214 HydrophobicContact CZ-CG1 4.44Å; F202-C217 HydrophobicContact CE1-CB 3.66Å; F202-C217 HydrophobicContact CZ-CB 4.17Å; F202-L218 HydrophobicContact CE2-CD1 4.14Å; F202-L218 HydrophobicContact CZ-CD1 3.72Å; F202-L218 HydrophobicContact CZ-CG 4.28Å; F202-L268 HydrophobicContact CE2-CD2 4.32Å
203P96.2Very high95.7Very high40 Ų4033.2 Ų33.226%0.2618%0.179SC..  trans-85.669.7-17634.5-34.8000112.1W166 P200W166-P203 VanDerWaalsContact CD1-CA 3.49Å; W166-P203 HydrophobicContact CD2-CB 4.17Å; W166-P203 HydrophobicContact CZ2-CB 4.11Å; P200-P203 HydrophobicContact CB-CB 4.23Å; P200-P203 HydrophobicContact CG-CB 3.89Å; P200-P203 HydrophobicContact CG-CG 4.32Å
204G95.1Very high95.7Very high0 Ų033.1 Ų33.10%018%0.178CC..  trans-84.6136.4-177.600000114.9R165 W166 F202 D209 Q210R165-G204 WeakPolarHBondContact CD-O 3.41Å; R165-G204 WeakPolarHBondContact CG-O 3.2Å; R165-G204 PolarHBondContact NH1-O 3.37Å; W166-G204 PolarHBondContact NE1-O 2.82Å; F202-G204 PolarHBondContact O-N 3.14Å; F202-G204 VanDerWaalsContact O-N 3.1Å; G204-D209 VanDerWaalsContact CA-OD2 3.25Å; G204-D209 WeakPolarHBondContact CA-OD2 3.49Å; G204-Q210 VanDerWaalsContact CA-OE1 3.27Å
205D91.4Very high95.5Very high139 Ų13932.8 Ų32.874%0.74318%0.177SC*.SBendtrans-82.2-18.7-177.8-77.2-27.2000113.6R165 D209R165-D205 PolarHBondContact NH1-O 3Å; D205-D209 PolarHBondContact N-OD2 2.78Å
206S91Very high95.3Very high36 Ų3636.3 Ų36.325%0.25219%0.192SC..SBendtrans-143.1167.5174.864.10000110.2R165 I208 D209 Q210R165-S206 VanDerWaalsContact CD-C 3.42Å; R165-S206 WeakPolarHBondContact CD-O 3.15Å; S206-I208 VanDerWaalsContact C-N 3.29Å; S206-I208 PolarHBondContact O-N 2.86Å; S206-I208 VanDerWaalsContact OG-CG2 3.28Å; S206-I208 WeakPolarHBondContact OG-CG2 3.04Å; S206-D209 PolarHBondContact O-N 3.04Å; S206-D209 VanDerWaalsContact OG-CB 3.3Å; S206-D209 WeakPolarHBondContact OG-CB 3.47Å; S206-D209 PolarHBondContact OG-N 3.18Å; S206-Q210 WeakPolarHBondContact O-CB 3.37Å; S206-Q210 PolarHBondContact O-N 3.1Å
207D91.3Very high95.2Very high13 Ų1335.6 Ų35.67%0.0719%0.189CC..Hα-helixtrans-68.6-28.2-179.1-59-51.7000112.6Y161 R165 R168 L173 L211 F235Y161-D207 PolarHBondContact OH-OD2 3.15Å; R165-D207 WeakPolarHBondContact CD-OD1 3.46Å; R165-D207 IonicContact NE-OD1 3.5Å; R165-D207 PolarHBondContact NE-OD1 3.42Å; R165-D207 VanDerWaalsContact NE-OD1 3.11Å; R168-D207 IonicContact NH1-OD1 2.7Å; R168-D207 PolarHBondContact NH1-OD1 3.21Å; R168-D207 IonicContact NH1-OD2 3.83Å; L173-D207 HydrophobicContact CD2-CB 3.93Å; L173-D207 WeakPolarHBondContact CD2-OD1 3.49Å; D207-L211 WeakPolarHBondContact O-CG 3.35Å; D207-L211 PolarHBondContact O-N 2.85Å; D207-L211 VanDerWaalsContact O-N 3.08Å; D207-F235 HydrophobicContact CB-CZ 4.44Å
208I93.3Very high95Very high46 Ų4636.6 Ų36.624%0.23619%0.193CC..Hα-helixtrans-71.2-38.6171.2-178.360.3000112.3S206 L211 Y212 F229 V238S206-I208 VanDerWaalsContact C-N 3.29Å; S206-I208 PolarHBondContact O-N 2.86Å; S206-I208 VanDerWaalsContact OG-CG2 3.28Å; S206-I208 WeakPolarHBondContact OG-CG2 3.04Å; I208-L211 WeakPolarHBondContact O-CB 3.47Å; I208-L211 PolarHBondContact O-N 3.4Å; I208-Y212 PolarHBondContact O-N 3.5Å; I208-F229 HydrophobicContact CD1-CE2 3.96Å; I208-F229 HydrophobicContact CD1-CZ 3.82Å; I208-V238 HydrophobicContact CB-CG1 4.39Å; I208-V238 HydrophobicContact CD1-CG1 3.88Å; I208-V238 HydrophobicContact CG1-CG1 3.75Å
209D93.6Very high94.8Very high44 Ų4435.7 Ų35.724%0.23518%0.184CC..Hα-helixtrans-72-34.4175.9-179.653.7000112G204 D205 S206 L211 Y212 H213G204-D209 VanDerWaalsContact CA-OD2 3.25Å; G204-D209 WeakPolarHBondContact CA-OD2 3.49Å; D205-D209 PolarHBondContact N-OD2 2.78Å; S206-D209 PolarHBondContact O-N 3.04Å; S206-D209 VanDerWaalsContact OG-CB 3.3Å; S206-D209 WeakPolarHBondContact OG-CB 3.47Å; S206-D209 PolarHBondContact OG-N 3.18Å; D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 PolarHBondContact O-N 2.82Å; D209-Y212 WeakPolarHBondContact O-CA 3.26Å; D209-Y212 WeakPolarHBondContact O-CB 3.31Å; D209-Y212 PolarHBondContact O-N 3.3Å; D209-Y212 VanDerWaalsContact O-N 3.08Å; D209-H213 PolarHBondContact O-CD2 3.09Å; D209-H213 PolarHBondContact O-N 3.37Å; D209-H213 IonicContact OD1-CD2 3.64Å; D209-H213 IonicContact OD2-CD2 3.68Å
210Q95.8Very high94.7Very high0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-58.3-44.7168.2-169.667.831.200110.9R165 W166 L173 F202 G204 S206 Y212 H213 I214R165-Q210 HydrophobicContact CG-CB 4.48Å; R165-Q210 HydrophobicContact CG-CG 4.45Å; W166-Q210 PolarHBondContact O-NE2 3.11Å; L173-Q210 HydrophobicContact CD1-CB 4.08Å; L173-Q210 HydrophobicContact CD1-CG 3.46Å; L173-Q210 VanDerWaalsContact CD1-CG 3.46Å; L173-Q210 HydrophobicContact CD2-CB 4.11Å; L173-Q210 HydrophobicContact CD2-CG 3.86Å; L173-Q210 HydrophobicContact CG-CG 4.32Å; F202-Q210 PolarHBondContact O-NE2 3.25Å; F202-Q210 PolarHBondContact O-OE1 3.13Å; G204-Q210 VanDerWaalsContact CA-OE1 3.27Å; S206-Q210 WeakPolarHBondContact O-CB 3.37Å; S206-Q210 PolarHBondContact O-N 3.1Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-Y212 PolarHBondContact O-N 2.81Å; Q210-H213 PolarHBondContact O-N 2.8Å; Q210-I214 HydrophobicContact CG-CD1 4.2Å; Q210-I214 WeakPolarHBondContact O-CB 3.46Å; Q210-I214 VanDerWaalsContact O-CG1 3.22Å; Q210-I214 WeakPolarHBondContact O-CG1 3.28Å; Q210-I214 PolarHBondContact O-N 2.82Å
211L95.4Very high94.6Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-64.6-33.6173.1-71.6172.9000112.6L173 V174 D207 I208 D209 T215 L221 F229 L240L173-L211 HydrophobicContact CB-CD1 4.32Å; L173-L211 HydrophobicContact CB-CD2 3.83Å; L173-L211 HydrophobicContact CB-CG 3.99Å; L173-L211 HydrophobicContact CD1-CD2 3.88Å; L173-L211 HydrophobicContact CD1-CG 4.19Å; V174-L211 HydrophobicContact CG1-CD1 4.22Å; V174-L211 HydrophobicContact CG1-CD2 4.5Å; D207-L211 WeakPolarHBondContact O-CG 3.35Å; D207-L211 PolarHBondContact O-N 2.85Å; D207-L211 VanDerWaalsContact O-N 3.08Å; I208-L211 WeakPolarHBondContact O-CB 3.47Å; I208-L211 PolarHBondContact O-N 3.4Å; D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 PolarHBondContact O-N 2.82Å; L211-T215 WeakPolarHBondContact O-CB 3.45Å; L211-T215 WeakPolarHBondContact O-CG2 3.47Å; L211-T215 PolarHBondContact O-N 2.95Å; L211-T215 PolarHBondContact O-OG1 2.71Å; L211-L221 HydrophobicContact CD2-CD1 4.08Å; L211-L221 HydrophobicContact CD2-CD2 4.17Å; L211-F229 HydrophobicContact CD1-CD2 3.91Å; L211-F229 HydrophobicContact CD1-CE2 3.99Å; L211-L240 HydrophobicContact CD1-CD2 4.27Å
212Y94.6Very high94.5Very high95 Ų9536.2 Ų36.237%0.37319%0.188SC..Hα-helixtrans-63.7-49.7171.7178.2-94.7000111.9I208 D209 Q210 I214 T215 K216 P241I208-Y212 PolarHBondContact O-N 3.5Å; D209-Y212 WeakPolarHBondContact O-CA 3.26Å; D209-Y212 WeakPolarHBondContact O-CB 3.31Å; D209-Y212 PolarHBondContact O-N 3.3Å; D209-Y212 VanDerWaalsContact O-N 3.08Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-Y212 PolarHBondContact O-N 2.81Å; Y212-I214 VanDerWaalsContact C-N 3.3Å; Y212-I214 PolarHBondContact O-N 2.93Å; Y212-T215 PolarHBondContact O-N 2.97Å; Y212-T215 PolarHBondContact O-OG1 2.72Å; Y212-K216 HydrophobicContact CD1-CD 4.31Å; Y212-K216 HydrophobicContact CE1-CD 3.57Å; Y212-K216 WeakPolarHBondContact O-CB 3.34Å; Y212-K216 PolarHBondContact O-N 2.81Å; Y212-K216 PolarHBondContact OH-NZ 3.2Å; Y212-P241 HydrophobicContact CD2-CB 3.85Å; Y212-P241 HydrophobicContact CD2-CG 3.99Å; Y212-P241 HydrophobicContact CG-CG 4.39Å
213H95.7Very high94.5Very high56 Ų5641 Ų4126%0.25922%0.219SC..Hα-helixtrans-57.9-41.4176.5-91.3-92.7000112.8F202 D209 Q210F202-H213 HydrophobicContact CB-CB 4.12Å; F202-H213 HydrophobicContact CD1-CB 4.09Å; F202-H213 WeakPolarHBondContact CD1-O 3.41Å; F202-H213 WeakPolarHBondContact CE1-O 3.36Å; D209-H213 PolarHBondContact O-CD2 3.09Å; D209-H213 PolarHBondContact O-N 3.37Å; D209-H213 IonicContact OD1-CD2 3.64Å; D209-H213 IonicContact OD2-CD2 3.68Å; Q210-H213 PolarHBondContact O-N 2.8Å
214I96.9Very high94.5Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-66.4-57.4177.4-71170.1000111.2P170 L173 W186 F202 Q210 Y212 K216 C217 L218 I270P170-I214 HydrophobicContact CG-CG2 4.27Å; L173-I214 HydrophobicContact CD1-CD1 3.57Å; W186-I214 HydrophobicContact CH2-CG2 3.83Å; W186-I214 HydrophobicContact CZ2-CD1 3.78Å; W186-I214 HydrophobicContact CZ2-CG1 3.91Å; W186-I214 HydrophobicContact CZ2-CG2 4.04Å; F202-I214 HydrophobicContact CB-CG1 4.38Å; F202-I214 HydrophobicContact CD1-CG1 4.29Å; F202-I214 HydrophobicContact CD2-CG1 3.76Å; F202-I214 HydrophobicContact CE2-CG1 4.04Å; F202-I214 HydrophobicContact CG-CG1 3.9Å; F202-I214 HydrophobicContact CZ-CG1 4.44Å; Q210-I214 HydrophobicContact CG-CD1 4.2Å; Q210-I214 WeakPolarHBondContact O-CB 3.46Å; Q210-I214 VanDerWaalsContact O-CG1 3.22Å; Q210-I214 WeakPolarHBondContact O-CG1 3.28Å; Q210-I214 PolarHBondContact O-N 2.82Å; Y212-I214 VanDerWaalsContact C-N 3.3Å; Y212-I214 PolarHBondContact O-N 2.93Å; I214-K216 VanDerWaalsContact C-N 3.28Å; I214-K216 PolarHBondContact O-N 2.77Å; I214-C217 PolarHBondContact O-N 3.48Å; I214-L218 HydrophobicContact CG2-CD1 4.44Å; I214-L218 PolarHBondContact O-N 3.15Å; I214-I270 HydrophobicContact CG2-CD1 3.61Å
215T95.2Very high94.5Very high4 Ų443.1 Ų43.13%0.02522%0.222CC..Hα-helixtrans-63.8-34.4-174.350.90000112.2L211 Y212 C217 G219 L221L211-T215 WeakPolarHBondContact O-CB 3.45Å; L211-T215 WeakPolarHBondContact O-CG2 3.47Å; L211-T215 PolarHBondContact O-N 2.95Å; L211-T215 PolarHBondContact O-OG1 2.71Å; Y212-T215 PolarHBondContact O-N 2.97Å; Y212-T215 PolarHBondContact O-OG1 2.72Å; T215-C217 PolarHBondContact O-N 2.99Å; T215-G219 VanDerWaalsContact CA-O 3.3Å; T215-G219 WeakPolarHBondContact CA-O 3.47Å; T215-G219 WeakPolarHBondContact O-CA 3.3Å; T215-G219 PolarHBondContact O-N 3.08Å; T215-L221 HydrophobicContact CG2-CD2 3.96Å; T215-L221 HydrophobicContact CG2-CG 4.07Å
216K94.3Very high94.7Very high73 Ų7339.8 Ų39.832%0.31720%0.202SC..Hα-helixtrans-62.3-22.5174.8-172171.1-173.5172.40114Y212 I214 V243 K247Y212-K216 HydrophobicContact CD1-CD 4.31Å; Y212-K216 HydrophobicContact CE1-CD 3.57Å; Y212-K216 WeakPolarHBondContact O-CB 3.34Å; Y212-K216 PolarHBondContact O-N 2.81Å; Y212-K216 PolarHBondContact OH-NZ 3.2Å; I214-K216 VanDerWaalsContact C-N 3.28Å; I214-K216 PolarHBondContact O-N 2.77Å; K216-V243 HydrophobicContact CB-CG2 4.45Å; K216-K247 PolarHBondContact O-N 3.34Å
217C95.2Very high94.9Very high7 Ų743.2 Ų43.25%0.04721%0.214CC..Hα-helixtrans-102.7-35.5179.7-1670000113.3F202 I214 T215 I246 K247 P248F202-C217 HydrophobicContact CE1-CB 3.66Å; F202-C217 HydrophobicContact CZ-CB 4.17Å; I214-C217 PolarHBondContact O-N 3.48Å; T215-C217 PolarHBondContact O-N 2.99Å; C217-I246 WeakPolarHBondContact O-CG2 3.41Å; C217-K247 WeakPolarHBondContact CA-O 3.31Å; C217-K247 PolarHBondContact SG-O 3.07Å; C217-P248 WeakPolarHBondContact O-CA 3.44Å
218L95.3Very high95Very high48 Ų4845.1 Ų45.125%0.25122%0.224SC..Hα-helixtrans-119.9-3.7-166.4-62.5169.3000114.2W186 F202 I214 L249 L268 I270W186-L218 HydrophobicContact CH2-CD1 3.51Å; W186-L218 HydrophobicContact CZ2-CD1 4.33Å; W186-L218 HydrophobicContact CZ3-CD1 4.11Å; F202-L218 HydrophobicContact CE2-CD1 4.14Å; F202-L218 HydrophobicContact CZ-CD1 3.72Å; F202-L218 HydrophobicContact CZ-CG 4.28Å; I214-L218 HydrophobicContact CG2-CD1 4.44Å; I214-L218 PolarHBondContact O-N 3.15Å; L218-L249 HydrophobicContact CD2-CD1 4.38Å; L218-L268 HydrophobicContact CD1-CB 4.05Å; L218-L268 HydrophobicContact CD2-CB 4.44Å; L218-I270 HydrophobicContact CB-CD1 3.84Å; L218-I270 HydrophobicContact CB-CG1 4Å; L218-I270 HydrophobicContact CD1-CD1 4.26Å
219G92.7Very high95.1Very high7 Ų743 Ų437%0.07221%0.213CC..  trans88.6-173.9-178.300000114.1T215T215-G219 VanDerWaalsContact CA-O 3.3Å; T215-G219 WeakPolarHBondContact CA-O 3.47Å; T215-G219 WeakPolarHBondContact O-CA 3.3Å; T215-G219 PolarHBondContact O-N 3.08Å
220N93Very high95.1Very high106 Ų10647.4 Ų47.457%0.56723%0.227SC*.PPolyproline II helixtrans-66.6151-171-65.4-16.5000113.2
221L95.6Very high95Very high8 Ų854.2 Ų54.24%0.04226%0.257CS..PPolyproline II helixtrans-61.9150.7172.9-56.3-176.6000111.6P170 V174 L211 T215 H225 Q226 L240 I270P170-L221 HydrophobicContact CB-CD2 4.03Å; V174-L221 HydrophobicContact CG1-CD1 4.01Å; L211-L221 HydrophobicContact CD2-CD1 4.08Å; L211-L221 HydrophobicContact CD2-CD2 4.17Å; T215-L221 HydrophobicContact CG2-CD2 3.96Å; T215-L221 HydrophobicContact CG2-CG 4.07Å; L221-H225 HydrophobicContact CB-CB 4.08Å; L221-H225 HydrophobicContact CD1-CB 4.36Å; L221-Q226 HydrophobicContact CB-CG 3.96Å; L221-Q226 PolarHBondContact O-NE2 3.31Å; L221-L240 HydrophobicContact CD1-CD1 4.19Å; L221-L240 HydrophobicContact CD1-CD2 3.86Å; L221-I270 HydrophobicContact CD2-CG2 4.42Å
222I96.1Very high94.7Very high37 Ų3755.8 Ų55.819%0.1927%0.265CS..PPolyproline II helixtrans-62.4151.4170.856.7167.6000111.4R224 H225 Q226 I270 D271I222-R224 VanDerWaalsContact C-N 3.29Å; I222-R224 HydrophobicContact CD1-CB 4.35Å; I222-R224 PolarHBondContact O-N 3.06Å; I222-R224 VanDerWaalsContact O-N 3.15Å; I222-H225 HydrophobicContact CG1-CB 4.08Å; I222-H225 PolarHBondContact O-N 2.9Å; I222-Q226 PolarHBondContact O-N 2.95Å; I222-Q226 VanDerWaalsContact O-N 3.13Å; I222-I270 HydrophobicContact CG2-CG2 4.33Å; I222-D271 HydrophobicContact CG2-CB 3.9Å
223P96.6Very high94.4Very high101 Ų10156.6 Ų56.666%0.65628%0.282SS*.Hα-helixtrans-52-41.4-175.1-30.436.4000114.6H225 Q226 E227P223-H225 VanDerWaalsContact C-N 3.31Å; P223-H225 PolarHBondContact O-N 2.7Å; P223-Q226 WeakPolarHBondContact O-CB 3.25Å; P223-Q226 PolarHBondContact O-N 3.02Å; P223-Q226 VanDerWaalsContact O-N 3.14Å; P223-E227 WeakPolarHBondContact O-CB 3.49Å; P223-E227 PolarHBondContact O-N 2.82Å
224R95.8Very high93.9Very high86 Ų8660.3 Ų60.333%0.32530%0.303SS..Hα-helixtrans-54.1-43.3173.7170.9-179.9162-173.2-5.4112.9D176 K178 I222 L228D176-R224 IonicContact OD1-NH2 3.83Å; D176-R224 PolarHBondContact OD1-NH2 2.95Å; D176-R224 IonicContact OD2-CZ 3.27Å; D176-R224 IonicContact OD2-NE 3.08Å; D176-R224 PolarHBondContact OD2-NE 3.27Å; D176-R224 IonicContact OD2-NH2 2.77Å; D176-R224 PolarHBondContact OD2-NH2 2.75Å; K178-R224 PolarHBondContact O-NH2 2.74Å; I222-R224 VanDerWaalsContact C-N 3.29Å; I222-R224 HydrophobicContact CD1-CB 4.35Å; I222-R224 PolarHBondContact O-N 3.06Å; I222-R224 VanDerWaalsContact O-N 3.15Å; R224-L228 HydrophobicContact CG-CD1 4.1Å; R224-L228 WeakPolarHBondContact O-CB 3.41Å; R224-L228 WeakPolarHBondContact O-CD1 3.44Å; R224-L228 VanDerWaalsContact O-CG 3.25Å; R224-L228 WeakPolarHBondContact O-CG 3.27Å; R224-L228 PolarHBondContact O-N 2.94Å
225H95.9Very high93.5Very high0 Ų061.5 Ų61.50%031%0.308CS..Hα-helixtrans-74-33.7179.6-66.7174.7000111.6E171 V174 L221 I222 P223 F229E171-H225 IonicContact OE2-CE1 2.73Å; V174-H225 HydrophobicContact CG1-CB 4.27Å; V174-H225 HydrophobicContact CG2-CB 4.11Å; L221-H225 HydrophobicContact CB-CB 4.08Å; L221-H225 HydrophobicContact CD1-CB 4.36Å; I222-H225 HydrophobicContact CG1-CB 4.08Å; I222-H225 PolarHBondContact O-N 2.9Å; P223-H225 VanDerWaalsContact C-N 3.31Å; P223-H225 PolarHBondContact O-N 2.7Å; H225-F229 WeakPolarHBondContact O-CB 3.3Å; H225-F229 PolarHBondContact O-N 3.43Å
226Q95.6Very high93.2Very high68 Ų6865.2 Ų65.232%0.31834%0.339SS..Hα-helixtrans-64.6-46.7172.4-57-178.320.200111.3L221 I222 P223 L228 F229 Y230 L240L221-Q226 HydrophobicContact CB-CG 3.96Å; L221-Q226 PolarHBondContact O-NE2 3.31Å; I222-Q226 PolarHBondContact O-N 2.95Å; I222-Q226 VanDerWaalsContact O-N 3.13Å; P223-Q226 WeakPolarHBondContact O-CB 3.25Å; P223-Q226 PolarHBondContact O-N 3.02Å; P223-Q226 VanDerWaalsContact O-N 3.14Å; Q226-L228 PolarHBondContact O-N 3.09Å; Q226-F229 PolarHBondContact O-N 3.48Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.12Å; Q226-Y230 PolarHBondContact O-N 3.43Å; Q226-L240 HydrophobicContact CB-CD1 4.01Å; Q226-L240 HydrophobicContact CG-CD1 3.88Å
227E95.5Very high92.9Very high108 Ų10865.9 Ų65.951%0.50537%0.367SS..Hα-helixtrans-59.3-45.2177.4-170.9-165.9163.800111.7P223 Y230 K231P223-E227 WeakPolarHBondContact O-CB 3.49Å; P223-E227 PolarHBondContact O-N 2.82Å; E227-Y230 PolarHBondContact O-N 2.93Å; E227-K231 HydrophobicContact CG-CD 4.1Å; E227-K231 WeakPolarHBondContact O-CB 3.48Å; E227-K231 VanDerWaalsContact O-CG 3.32Å; E227-K231 WeakPolarHBondContact O-CG 3.44Å; E227-K231 PolarHBondContact O-N 3.48Å; E227-K231 WeakPolarHBondContact OE1-CE 3.37Å; E227-K231 IonicContact OE1-NZ 3.73Å; E227-K231 PolarHBondContact OE1-NZ 2.94Å
228L93.8Very high92.7Very high53 Ų5368.2 Ų68.228%0.27738%0.381SS..Hα-helixtrans-64-42.2176.3-74168.2000112.3V174 D176 R224 Q226 K231 N232V174-L228 HydrophobicContact CB-CB 4.41Å; V174-L228 HydrophobicContact CG2-CB 4.1Å; V174-L228 HydrophobicContact CG2-CD1 4.42Å; D176-L228 HydrophobicContact CB-CD1 3.64Å; D176-L228 VanDerWaalsContact CG-CD1 3.4Å; D176-L228 WeakPolarHBondContact OD2-CD1 3.48Å; R224-L228 HydrophobicContact CG-CD1 4.1Å; R224-L228 WeakPolarHBondContact O-CB 3.41Å; R224-L228 WeakPolarHBondContact O-CD1 3.44Å; R224-L228 VanDerWaalsContact O-CG 3.25Å; R224-L228 WeakPolarHBondContact O-CG 3.27Å; R224-L228 PolarHBondContact O-N 2.94Å; Q226-L228 PolarHBondContact O-N 3.09Å; L228-K231 PolarHBondContact O-N 3.28Å; L228-N232 WeakPolarHBondContact O-CB 3.49Å; L228-N232 PolarHBondContact O-N 3.36Å
229F94.4Very high92.5Very high1 Ų175.2 Ų75.20%0.00440%0.404CS..Hα-helixtrans-57.5-51175.5179.1-86.6000111.4V174 I208 L211 H225 Q226 K231 N232 F235 V238 L240V174-F229 HydrophobicContact CB-CB 4.29Å; V174-F229 HydrophobicContact CG1-CB 4.04Å; V174-F229 HydrophobicContact CG1-CD2 4.42Å; I208-F229 HydrophobicContact CD1-CE2 3.96Å; I208-F229 HydrophobicContact CD1-CZ 3.82Å; L211-F229 HydrophobicContact CD1-CD2 3.91Å; L211-F229 HydrophobicContact CD1-CE2 3.99Å; H225-F229 WeakPolarHBondContact O-CB 3.3Å; H225-F229 PolarHBondContact O-N 3.43Å; Q226-F229 PolarHBondContact O-N 3.48Å; F229-K231 VanDerWaalsContact C-N 3.29Å; F229-K231 PolarHBondContact O-N 3.39Å; F229-N232 PolarHBondContact O-N 3.03Å; F229-F235 HydrophobicContact CD1-CB 4.43Å; F229-F235 HydrophobicContact CD2-CB 4.26Å; F229-F235 HydrophobicContact CD2-CD1 4.48Å; F229-F235 AromaticContact CD2-CD2 3.38Å; F229-F235 HydrophobicContact CD2-CD2 3.38Å; F229-F235 AromaticContact CD2-CE2 3.78Å; F229-F235 HydrophobicContact CD2-CE2 3.78Å; F229-F235 AromaticContact CD2-CG 3.8Å; F229-F235 HydrophobicContact CD2-CG 3.8Å; F229-F235 HydrophobicContact CD2-CZ 4.47Å; F229-F235 HydrophobicContact CE1-CB 3.99Å; F229-F235 HydrophobicContact CE1-CG 4.47Å; F229-F235 HydrophobicContact CE2-CB 3.8Å; F229-F235 AromaticContact CE2-CD1 3.75Å; F229-F235 HydrophobicContact CE2-CD1 3.75Å; F229-F235 AromaticContact CE2-CD2 3.49Å; F229-F235 HydrophobicContact CE2-CD2 3.49Å; F229-F235 VanDerWaalsContact CE2-CD2 3.49Å; F229-F235 HydrophobicContact CE2-CE1 4.19Å; F229-F235 AromaticContact CE2-CE2 3.96Å; F229-F235 HydrophobicContact CE2-CE2 3.96Å; F229-F235 AromaticContact CE2-CG 3.38Å; F229-F235 HydrophobicContact CE2-CG 3.38Å; F229-F235 HydrophobicContact CE2-CZ 4.29Å; F229-F235 HydrophobicContact CG-CD2 4.07Å; F229-F235 HydrophobicContact CZ-CB 3.65Å; F229-F235 HydrophobicContact CZ-CD1 4.18Å; F229-F235 HydrophobicContact CZ-CD2 4.24Å; F229-F235 AromaticContact CZ-CG 3.77Å; F229-F235 HydrophobicContact CZ-CG 3.77Å; F229-V238 HydrophobicContact CZ-CB 4.22Å; F229-V238 HydrophobicContact CZ-CG1 4Å; F229-L240 HydrophobicContact CB-CD1 4.48Å; F229-L240 HydrophobicContact CB-CD2 4.29Å; F229-L240 HydrophobicContact CD1-CD1 4.24Å; F229-L240 HydrophobicContact CD1-CD2 3.74Å; F229-L240 HydrophobicContact CD1-CG 3.59Å; F229-L240 HydrophobicContact CD2-CD2 3.66Å; F229-L240 HydrophobicContact CD2-CG 4.44Å; F229-L240 HydrophobicContact CE1-CD2 3.93Å; F229-L240 HydrophobicContact CE1-CG 3.83Å; F229-L240 HydrophobicContact CE2-CD2 3.83Å; F229-L240 HydrophobicContact CG-CD1 4.4Å; F229-L240 HydrophobicContact CG-CD2 3.61Å; F229-L240 HydrophobicContact CG-CG 3.93Å; F229-L240 HydrophobicContact CZ-CD2 3.97Å; F229-L240 HydrophobicContact CZ-CG 4.34Å
230Y94.6Very high92.4Very high137 Ų13776.1 Ų76.154%0.53741%0.407SS..Hα-helixtrans-71.9-18.9-179.1-68.2-59.8000114.3Q226 E227 L240Q226-Y230 WeakPolarHBondContact O-CD2 3.12Å; Q226-Y230 PolarHBondContact O-N 3.43Å; E227-Y230 PolarHBondContact O-N 2.93Å; Y230-L240 HydrophobicContact CE2-CD1 3.97Å; Y230-L240 HydrophobicContact CE2-CG 4.44Å
231K93.3Very high91.9Very high144 Ų14472.2 Ų72.263%0.62639%0.387SS*.Hα-helixtrans-88.3-12.2172.9-74.6179.9176.4-179.90113.9E227 L228 F229 P233E227-K231 HydrophobicContact CG-CD 4.1Å; E227-K231 WeakPolarHBondContact O-CB 3.48Å; E227-K231 VanDerWaalsContact O-CG 3.32Å; E227-K231 WeakPolarHBondContact O-CG 3.44Å; E227-K231 PolarHBondContact O-N 3.48Å; E227-K231 WeakPolarHBondContact OE1-CE 3.37Å; E227-K231 IonicContact OE1-NZ 3.73Å; E227-K231 PolarHBondContact OE1-NZ 2.94Å; L228-K231 PolarHBondContact O-N 3.28Å; F229-K231 VanDerWaalsContact C-N 3.29Å; F229-K231 PolarHBondContact O-N 3.39Å; K231-P233 WeakPolarHBondContact O-CD 3.28Å
232N89Confident91.3Very high33 Ų3379 Ų7918%0.17642%0.419CS..  trans-83.9118.2-176.4-176-15.6000110.6V174 L228 F229 L234 F235V174-N232 PolarHBondContact O-ND2 3.07Å; L228-N232 WeakPolarHBondContact O-CB 3.49Å; L228-N232 PolarHBondContact O-N 3.36Å; F229-N232 PolarHBondContact O-N 3.03Å; N232-L234 PolarHBondContact O-N 3.35Å; N232-L234 VanDerWaalsContact O-N 3.09Å; N232-L234 WeakPolarHBondContact OD1-CB 3.35Å; N232-L234 WeakPolarHBondContact OD1-CG 3.48Å; N232-L234 PolarHBondContact OD1-N 3.12Å; N232-L234 VanDerWaalsContact OD1-N 3.07Å; N232-F235 HydrophobicContact CB-CD2 3.97Å; N232-F235 PolarHBondContact O-N 3.36Å
233P88.6Confident90.5Very high112 Ų11278.4 Ų78.473%0.72742%0.417SS*.G310 helixtrans-58.3-25-179-25.935.8000114.6K231 F235 A236K231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-F235 PolarHBondContact O-N 3.42Å; P233-A236 WeakPolarHBondContact O-CB 3.26Å; P233-A236 PolarHBondContact O-N 3.47Å
234L85.4Confident89.6Confident133 Ų13381.9 Ų81.970%0.69642%0.422SS*.G310 helixtrans-66-17.8177.4-59.3176000113.2N232N232-L234 PolarHBondContact O-N 3.35Å; N232-L234 VanDerWaalsContact O-N 3.09Å; N232-L234 WeakPolarHBondContact OD1-CB 3.35Å; N232-L234 WeakPolarHBondContact OD1-CG 3.48Å; N232-L234 PolarHBondContact OD1-N 3.12Å; N232-L234 VanDerWaalsContact OD1-N 3.07Å
235F87.8Confident89.1Confident26 Ų2684 Ų8411%0.11444%0.44CS..G310 helixtrans-11216.5177.4-56.3-52.1000112.9L173 D207 F229 N232 P233 G237 V238L173-F235 WeakPolarHBondContact O-CE2 3.29Å; L173-F235 VanDerWaalsContact O-CZ 3.32Å; L173-F235 WeakPolarHBondContact O-CZ 3.5Å; D207-F235 HydrophobicContact CB-CZ 4.44Å; F229-F235 HydrophobicContact CD1-CB 4.43Å; F229-F235 HydrophobicContact CD2-CB 4.26Å; F229-F235 HydrophobicContact CD2-CD1 4.48Å; F229-F235 AromaticContact CD2-CD2 3.38Å; F229-F235 HydrophobicContact CD2-CD2 3.38Å; F229-F235 AromaticContact CD2-CE2 3.78Å; F229-F235 HydrophobicContact CD2-CE2 3.78Å; F229-F235 AromaticContact CD2-CG 3.8Å; F229-F235 HydrophobicContact CD2-CG 3.8Å; F229-F235 HydrophobicContact CD2-CZ 4.47Å; F229-F235 HydrophobicContact CE1-CB 3.99Å; F229-F235 HydrophobicContact CE1-CG 4.47Å; F229-F235 HydrophobicContact CE2-CB 3.8Å; F229-F235 AromaticContact CE2-CD1 3.75Å; F229-F235 HydrophobicContact CE2-CD1 3.75Å; F229-F235 AromaticContact CE2-CD2 3.49Å; F229-F235 HydrophobicContact CE2-CD2 3.49Å; F229-F235 VanDerWaalsContact CE2-CD2 3.49Å; F229-F235 HydrophobicContact CE2-CE1 4.19Å; F229-F235 AromaticContact CE2-CE2 3.96Å; F229-F235 HydrophobicContact CE2-CE2 3.96Å; F229-F235 AromaticContact CE2-CG 3.38Å; F229-F235 HydrophobicContact CE2-CG 3.38Å; F229-F235 HydrophobicContact CE2-CZ 4.29Å; F229-F235 HydrophobicContact CG-CD2 4.07Å; F229-F235 HydrophobicContact CZ-CB 3.65Å; F229-F235 HydrophobicContact CZ-CD1 4.18Å; F229-F235 HydrophobicContact CZ-CD2 4.24Å; F229-F235 AromaticContact CZ-CG 3.77Å; F229-F235 HydrophobicContact CZ-CG 3.77Å; N232-F235 HydrophobicContact CB-CD2 3.97Å; N232-F235 PolarHBondContact O-N 3.36Å; P233-F235 PolarHBondContact O-N 3.42Å; F235-G237 PolarHBondContact O-N 3.2Å; F235-V238 HydrophobicContact CB-CB 4.36Å; F235-V238 WeakPolarHBondContact O-CB 3.49Å; F235-V238 PolarHBondContact O-N 3.11Å
236A88.4Confident88.8Confident81 Ų8187.9 Ų87.967%0.66946%0.46SS*.THydrogen-bonded Turntrans-56.7126.3176.300000111.5P233 V238P233-A236 WeakPolarHBondContact O-CB 3.26Å; P233-A236 PolarHBondContact O-N 3.47Å; A236-V238 PolarHBondContact O-N 3.41Å
237G88.5Confident88.6Confident88 Ų8890 Ų9091%0.90747%0.468SS*.THydrogen-bonded Turntrans80.8-12-175.300000115.4F235F235-G237 PolarHBondContact O-N 3.2Å
238V91.5Very high88.4Confident56 Ų5687.4 Ų87.434%0.33946%0.46SS..  trans-85.8145.4175.7-169.70000109.8I208 F229 F235 A236I208-V238 HydrophobicContact CB-CG1 4.39Å; I208-V238 HydrophobicContact CD1-CG1 3.88Å; I208-V238 HydrophobicContact CG1-CG1 3.75Å; F229-V238 HydrophobicContact CZ-CB 4.22Å; F229-V238 HydrophobicContact CZ-CG1 4Å; F235-V238 HydrophobicContact CB-CB 4.36Å; F235-V238 WeakPolarHBondContact O-CB 3.49Å; F235-V238 PolarHBondContact O-N 3.11Å; A236-V238 PolarHBondContact O-N 3.41Å
239R90.6Very high88.5Confident195 Ų19585 Ų8574%0.73645%0.448SS*.  trans-111.2148.7173-66.6-172178.8-155.9-0.3110.9
240L89.8Confident88.4Confident25 Ų2588.1 Ų88.113%0.13146%0.464CS..  trans-64.9148.7169.9-74.3174.5000111.2L211 L221 Q226 F229 Y230 E242L211-L240 HydrophobicContact CD1-CD2 4.27Å; L221-L240 HydrophobicContact CD1-CD1 4.19Å; L221-L240 HydrophobicContact CD1-CD2 3.86Å; Q226-L240 HydrophobicContact CB-CD1 4.01Å; Q226-L240 HydrophobicContact CG-CD1 3.88Å; F229-L240 HydrophobicContact CB-CD1 4.48Å; F229-L240 HydrophobicContact CB-CD2 4.29Å; F229-L240 HydrophobicContact CD1-CD1 4.24Å; F229-L240 HydrophobicContact CD1-CD2 3.74Å; F229-L240 HydrophobicContact CD1-CG 3.59Å; F229-L240 HydrophobicContact CD2-CD2 3.66Å; F229-L240 HydrophobicContact CD2-CG 4.44Å; F229-L240 HydrophobicContact CE1-CD2 3.93Å; F229-L240 HydrophobicContact CE1-CG 3.83Å; F229-L240 HydrophobicContact CE2-CD2 3.83Å; F229-L240 HydrophobicContact CG-CD1 4.4Å; F229-L240 HydrophobicContact CG-CD2 3.61Å; F229-L240 HydrophobicContact CG-CG 3.93Å; F229-L240 HydrophobicContact CZ-CD2 3.97Å; F229-L240 HydrophobicContact CZ-CG 4.34Å; Y230-L240 HydrophobicContact CE2-CD1 3.97Å; Y230-L240 HydrophobicContact CE2-CG 4.44Å; L240-E242 PolarHBondContact O-N 2.96Å
241P84.1Confident88.4Confident24 Ų2490.1 Ų90.116%0.15647%0.471CS..  trans-53.6121.6172.9-32.239.2000115.2Y212 V243Y212-P241 HydrophobicContact CD2-CB 3.85Å; Y212-P241 HydrophobicContact CD2-CG 3.99Å; Y212-P241 HydrophobicContact CG-CG 4.39Å; P241-V243 HydrophobicContact CB-CG2 4.14Å; P241-V243 PolarHBondContact O-N 3.45Å
242E81.4Confident88.5Confident150 Ų15087.4 Ų87.470%0.70146%0.457SS*.  trans-80.590.7165.7-74.3-176.5-154.200110.7L240 K244L240-E242 PolarHBondContact O-N 2.96Å; E242-K244 PolarHBondContact O-N 3.49Å
243V79.4Confident88.7Confident26 Ų2686.5 Ų86.516%0.15845%0.451CS..  trans-86.2103.6178.7178.20000110.7K216 P241 I246K216-V243 HydrophobicContact CB-CG2 4.45Å; P241-V243 HydrophobicContact CB-CG2 4.14Å; P241-V243 PolarHBondContact O-N 3.45Å; V243-I246 HydrophobicContact CG1-CG1 3.98Å
244K78.8Confident89Confident173 Ų17386.2 Ų86.275%0.75245%0.449SS*.SBendtrans-83.6-39.1175.3-60.9-179.6-176.6177.90112.3E242E242-K244 PolarHBondContact O-N 3.49Å
245D84.9Confident89.4Confident132 Ų13289.6 Ų89.671%0.70646%0.458SS*.SBendtrans-112104.6178.4-70.8-54.1000111.6
246I90.4Very high89.8Confident81 Ų8189.8 Ų89.842%0.41546%0.46SS..  trans-77.3133.7173.2-56.7174.4000109.8C217 V243 P248C217-I246 WeakPolarHBondContact O-CG2 3.41Å; V243-I246 HydrophobicContact CG1-CG1 3.98Å; I246-P248 VanDerWaalsContact O-CD 3.26Å; I246-P248 WeakPolarHBondContact O-CD 3.45Å
247K89.9Confident90.1Very high113 Ų11388 Ų8849%0.49144%0.442SS..  trans-109.383.6172.8-67.3-169.6178.9-172.30110.3K216 C217K216-K247 PolarHBondContact O-N 3.34Å; C217-K247 WeakPolarHBondContact CA-O 3.31Å; C217-K247 PolarHBondContact SG-O 3.07Å
248P92.7Very high90.4Very high53 Ų5387.7 Ų87.734%0.34443%0.432SS..  trans-64158.1-175.927.9-36.1000112.4C217 I246 D250 R251 R252C217-P248 WeakPolarHBondContact O-CA 3.44Å; I246-P248 VanDerWaalsContact O-CD 3.26Å; I246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-D250 VanDerWaalsContact C-N 3.26Å; P248-D250 PolarHBondContact O-N 2.74Å; P248-D250 VanDerWaalsContact O-N 3.17Å; P248-R251 HydrophobicContact CG-CB 4.12Å; P248-R251 WeakPolarHBondContact O-CB 3.43Å; P248-R251 PolarHBondContact O-N 2.61Å; P248-R252 PolarHBondContact O-N 3.23Å; P248-R252 VanDerWaalsContact O-N 3.07Å
249L94.1Very high90.6Very high3 Ų386.1 Ų86.12%0.01643%0.425CS..Hα-helixtrans-52-40-175.3-68.1170.6000113.4T193 L201 L218 R251 R252 Y253 L261 A264 K265 L268T193-L249 HydrophobicContact CG2-CD2 4.49Å; L201-L249 HydrophobicContact CD1-CD2 3.78Å; L201-L249 HydrophobicContact CD2-CD2 4.44Å; L218-L249 HydrophobicContact CD2-CD1 4.38Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 3.27Å; L249-R252 PolarHBondContact O-N 3.36Å; L249-Y253 HydrophobicContact CD2-CD2 4.31Å; L249-Y253 HydrophobicContact CD2-CE2 4.24Å; L249-Y253 WeakPolarHBondContact O-CB 3.18Å; L249-Y253 PolarHBondContact O-N 3.18Å; L249-L261 HydrophobicContact CB-CD2 4.19Å; L249-A264 HydrophobicContact CD1-CB 4.27Å; L249-K265 HydrophobicContact CD1-CG 4.02Å; L249-L268 HydrophobicContact CD1-CD1 3.96Å
250D93.9Very high90.9Very high65 Ų6576.9 Ų76.935%0.34839%0.39SS..Hα-helixtrans-64.2-35.1178.9-39.3-97.7000112.4P248 Y253 P254 K265P248-D250 VanDerWaalsContact C-N 3.26Å; P248-D250 PolarHBondContact O-N 2.74Å; P248-D250 VanDerWaalsContact O-N 3.17Å; D250-Y253 CarbonylContact O-C 3.5Å; D250-P254 VanDerWaalsContact O-CA 3.3Å; D250-P254 WeakPolarHBondContact O-CA 3.49Å; D250-K265 WeakPolarHBondContact OD1-CE 3.42Å; D250-K265 IonicContact OD1-NZ 2.71Å; D250-K265 PolarHBondContact OD1-NZ 2.85Å; D250-K265 WeakPolarHBondContact OD2-CE 3.3Å; D250-K265 IonicContact OD2-NZ 2.77Å; D250-K265 PolarHBondContact OD2-NZ 3.37Å
251R93.8Very high91.3Very high180 Ų18076.2 Ų76.268%0.67939%0.387SS*.Hα-helixtrans-78.3-29.5178-172.1178.3-178.4-172.63.3111.8P248 L249P248-R251 HydrophobicContact CG-CB 4.12Å; P248-R251 WeakPolarHBondContact O-CB 3.43Å; P248-R251 PolarHBondContact O-N 2.61Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 3.27Å
252R94.4Very high91.9Very high87 Ų8777.6 Ų77.633%0.32839%0.392SS..Hα-helixtrans-76.4-37.5173.9-174.6173.3174.5-177.7-8111.8L201 P248 L249 P254L201-R252 VanDerWaalsContact O-CZ 3.31Å; L201-R252 PolarHBondContact O-NH1 3.42Å; L201-R252 PolarHBondContact O-NH2 2.79Å; P248-R252 PolarHBondContact O-N 3.23Å; P248-R252 VanDerWaalsContact O-N 3.07Å; L249-R252 PolarHBondContact O-N 3.36Å; R252-P254 VanDerWaalsContact C-CD 3.43Å; R252-P254 WeakPolarHBondContact O-CD 3.25Å
253Y95.1Very high92.7Very high14 Ų1470.4 Ų70.46%0.05536%0.359CS..  trans-128.757.1-171.6-57.9-66.9000113.4T193 T197 L201 L249 D250 K255 L256T193-Y253 HydrophobicContact CG2-CD2 3.88Å; T193-Y253 HydrophobicContact CG2-CE2 3.74Å; T197-Y253 HydrophobicContact CG2-CD1 3.82Å; T197-Y253 HydrophobicContact CG2-CE1 3.87Å; L201-Y253 HydrophobicContact CD1-CE2 3.67Å; L249-Y253 HydrophobicContact CD2-CD2 4.31Å; L249-Y253 HydrophobicContact CD2-CE2 4.24Å; L249-Y253 WeakPolarHBondContact O-CB 3.18Å; L249-Y253 PolarHBondContact O-N 3.18Å; D250-Y253 CarbonylContact O-C 3.5Å; Y253-K255 PolarHBondContact O-N 3.31Å; Y253-L256 HydrophobicContact CG-CD1 4.03Å; Y253-L256 PolarHBondContact O-N 3.37Å; Y253-L256 VanDerWaalsContact O-N 3.1Å
254P94.4Very high93.6Very high105 Ų10569.2 Ų69.268%0.68235%0.351SS*.THydrogen-bonded Turntrans-67.9-0.6-173.429.8-38.1000115D250 R252D250-P254 VanDerWaalsContact O-CA 3.3Å; D250-P254 WeakPolarHBondContact O-CA 3.49Å; R252-P254 VanDerWaalsContact C-CD 3.43Å; R252-P254 WeakPolarHBondContact O-CD 3.25Å
255K93.5Very high94.5Very high204 Ų20464.6 Ų64.689%0.88733%0.332SS*.THydrogen-bonded Turntrans-98.9-11.5176.5-63.9-177.8-179.6177.70113.7Y253Y253-K255 PolarHBondContact O-N 3.31Å
256L95.2Very high95.2Very high30 Ų3062.4 Ų62.416%0.15732%0.316CS..SBendtrans-77.5150.5-179.2-64-175.5000111.2T193 L196 T197 Y253 L261T193-L256 HydrophobicContact CG2-CD1 4.14Å; L196-L256 HydrophobicContact CB-CD2 3.64Å; L196-L256 HydrophobicContact CD1-CD1 4.48Å; L196-L256 HydrophobicContact CD1-CD2 4.08Å; L196-L256 HydrophobicContact CG-CD2 4.4Å; T197-L256 HydrophobicContact CG2-CD1 4.3Å; T197-L256 HydrophobicContact CG2-CD2 4.14Å; Y253-L256 HydrophobicContact CG-CD1 4.03Å; Y253-L256 PolarHBondContact O-N 3.37Å; Y253-L256 VanDerWaalsContact O-N 3.1Å; L256-L261 HydrophobicContact CB-CD1 4.27Å; L256-L261 HydrophobicContact CB-CD2 4.17Å; L256-L261 HydrophobicContact CB-CG 3.95Å; L256-L261 HydrophobicContact CD1-CD2 4.28Å
257S95.1Very high95.6Very high43 Ų4358.5 Ų58.530%0.30130%0.296SS..  trans-65.6145.917982.50000110.8Y100 A259 A260 L261Y100-S257 WeakPolarHBondContact CE2-OG 3.33Å; Y100-S257 PolarHBondContact OH-OG 3.32Å; S257-A259 PolarHBondContact O-N 3.45Å; S257-A259 VanDerWaalsContact O-N 3.14Å; S257-A260 PolarHBondContact O-N 3.12Å; S257-A260 PolarHBondContact OG-N 3.37Å; S257-L261 PolarHBondContact O-N 3.23Å
258A95.4Very high96Very high83 Ų8353.2 Ų53.269%0.68627%0.273SS*.Hα-helixtrans-56-32.9177.800000112.6D262A258-D262 VanDerWaalsContact O-CB 3.24Å; A258-D262 WeakPolarHBondContact O-CB 3.31Å; A258-D262 PolarHBondContact O-N 3.13Å
259A96.2Very high96.3Very high23 Ų2354.2 Ų54.219%0.1927%0.273CS..Hα-helixtrans-70.3-35.5176.100000113.1S257 L263 F286S257-A259 PolarHBondContact O-N 3.45Å; S257-A259 VanDerWaalsContact O-N 3.14Å; A259-L263 WeakPolarHBondContact O-CB 3.23Å; A259-L263 PolarHBondContact O-N 3.44Å; A259-L263 VanDerWaalsContact O-N 3.07Å; A259-F286 HydrophobicContact CB-CB 4.18Å; A259-F286 HydrophobicContact CB-CD2 4.22Å
260A96.9Very high96.4Very high1 Ų154.9 Ų54.91%0.00828%0.276CS..Hα-helixtrans-70.5-41.4173.800000111.5Y100 V192 L196 S257 L263 A264 F286Y100-A260 HydrophobicContact CE2-CB 4.46Å; V192-A260 HydrophobicContact CG1-CB 4.41Å; V192-A260 WeakPolarHBondContact CG1-O 3.45Å; L196-A260 HydrophobicContact CD1-CB 3.61Å; S257-A260 PolarHBondContact O-N 3.12Å; S257-A260 PolarHBondContact OG-N 3.37Å; A260-L263 PolarHBondContact O-N 2.6Å; A260-A264 WeakPolarHBondContact O-CB 3.23Å; A260-A264 PolarHBondContact O-N 3.42Å; A260-F286 HydrophobicContact CB-CD2 4.14Å; A260-F286 HydrophobicContact CB-CE2 3.89Å
261L97.2Very high96.6Very high11 Ų1153.1 Ų53.16%0.05827%0.267CS..Hα-helixtrans-66-39.3176-70.9170.1000112.1L249 L256 S257 K265L249-L261 HydrophobicContact CB-CD2 4.19Å; L256-L261 HydrophobicContact CB-CD1 4.27Å; L256-L261 HydrophobicContact CB-CD2 4.17Å; L256-L261 HydrophobicContact CB-CG 3.95Å; L256-L261 HydrophobicContact CD1-CD2 4.28Å; S257-L261 PolarHBondContact O-N 3.23Å; L261-K265 VanDerWaalsContact O-CB 3.31Å; L261-K265 WeakPolarHBondContact O-CB 3.24Å; L261-K265 WeakPolarHBondContact O-CD 3.31Å; L261-K265 WeakPolarHBondContact O-CG 3.18Å; L261-K265 PolarHBondContact O-N 3.21Å
262D97.6Very high96.7Very high52 Ų5245.2 Ų45.228%0.27824%0.239SC..Hα-helixtrans-61.2-48.3172.417369.6000112A258 A264 K265 K266A258-D262 VanDerWaalsContact O-CB 3.24Å; A258-D262 WeakPolarHBondContact O-CB 3.31Å; A258-D262 PolarHBondContact O-N 3.13Å; D262-A264 PolarHBondContact O-N 2.98Å; D262-K265 PolarHBondContact O-N 3.15Å; D262-K266 WeakPolarHBondContact O-CB 3.1Å; D262-K266 WeakPolarHBondContact O-CG 3.33Å; D262-K266 PolarHBondContact O-N 3.33Å; D262-K266 WeakPolarHBondContact OD1-CE 3.41Å; D262-K266 IonicContact OD1-NZ 3.25Å; D262-K266 PolarHBondContact OD1-NZ 3.33Å; D262-K266 WeakPolarHBondContact OD2-CE 3.43Å; D262-K266 IonicContact OD2-NZ 3.76Å; D262-K266 PolarHBondContact OD2-NZ 2.83Å
263L98.3Very high96.9Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-57.9-49.2175.4176.559.1000111.5L107 V192 A259 A260 K265 K266 C267 L281 F286 F287L107-L263 HydrophobicContact CD1-CD2 4.25Å; V192-L263 HydrophobicContact CG2-CD2 3.92Å; V192-L263 HydrophobicContact CG2-CG 3.92Å; A259-L263 WeakPolarHBondContact O-CB 3.23Å; A259-L263 PolarHBondContact O-N 3.44Å; A259-L263 VanDerWaalsContact O-N 3.07Å; A260-L263 PolarHBondContact O-N 2.6Å; L263-K265 PolarHBondContact O-N 2.8Å; L263-K266 PolarHBondContact O-N 3.19Å; L263-C267 PolarHBondContact O-N 2.71Å; L263-C267 VanDerWaalsContact O-N 3.09Å; L263-C267 PolarHBondContact O-SG 3.4Å; L263-C267 VanDerWaalsContact O-SG 3.39Å; L263-L281 HydrophobicContact CD1-CD2 3.74Å; L263-F286 HydrophobicContact CB-CB 4.4Å; L263-F286 HydrophobicContact CD2-CB 4.19Å; L263-F286 HydrophobicContact CD2-CD1 3.43Å; L263-F286 VanDerWaalsContact CD2-CD1 3.43Å; L263-F286 HydrophobicContact CD2-CE1 3.85Å; L263-F286 HydrophobicContact CD2-CG 3.8Å; L263-F287 HydrophobicContact CD2-CE2 4.23Å; L263-F287 HydrophobicContact CD2-CZ 4.2Å
264A98.4Very high97Very high0 Ų053 Ų530%028%0.281CS..Hα-helixtrans-59.2-47.2176.800000111.8V192 L249 A260 D262 K266 C267 L268V192-A264 HydrophobicContact CB-CB 4.14Å; V192-A264 HydrophobicContact CG1-CB 4Å; L249-A264 HydrophobicContact CD1-CB 4.27Å; A260-A264 WeakPolarHBondContact O-CB 3.23Å; A260-A264 PolarHBondContact O-N 3.42Å; D262-A264 PolarHBondContact O-N 2.98Å; A264-K266 PolarHBondContact O-N 2.97Å; A264-C267 PolarHBondContact O-N 2.92Å; A264-L268 HydrophobicContact CB-CD1 4.43Å; A264-L268 VanDerWaalsContact O-CB 3.24Å; A264-L268 WeakPolarHBondContact O-CB 3.46Å; A264-L268 WeakPolarHBondContact O-CG 3.46Å; A264-L268 PolarHBondContact O-N 2.68Å
265K98.1Very high97.2Very high77 Ų7748.9 Ų48.934%0.33525%0.253SS..Hα-helixtrans-60.6-40.4178-78.1168.8172.6178.90113.3L249 D250 L261 D262 L263 L268 Q269L249-K265 HydrophobicContact CD1-CG 4.02Å; D250-K265 WeakPolarHBondContact OD1-CE 3.42Å; D250-K265 IonicContact OD1-NZ 2.71Å; D250-K265 PolarHBondContact OD1-NZ 2.85Å; D250-K265 WeakPolarHBondContact OD2-CE 3.3Å; D250-K265 IonicContact OD2-NZ 2.77Å; D250-K265 PolarHBondContact OD2-NZ 3.37Å; L261-K265 VanDerWaalsContact O-CB 3.31Å; L261-K265 WeakPolarHBondContact O-CB 3.24Å; L261-K265 WeakPolarHBondContact O-CD 3.31Å; L261-K265 WeakPolarHBondContact O-CG 3.18Å; L261-K265 PolarHBondContact O-N 3.21Å; D262-K265 PolarHBondContact O-N 3.15Å; L263-K265 PolarHBondContact O-N 2.8Å; K265-L268 PolarHBondContact O-N 2.7Å; K265-Q269 PolarHBondContact O-NE2 2.88Å
266K98.4Very high97.4Very high85 Ų8540.6 Ų40.637%0.3722%0.219SC..Hα-helixtrans-66.1-40.9177.6-76.3169.2174161.10111.4D262 L263 A264 P276D262-K266 WeakPolarHBondContact O-CB 3.1Å; D262-K266 WeakPolarHBondContact O-CG 3.33Å; D262-K266 PolarHBondContact O-N 3.33Å; D262-K266 WeakPolarHBondContact OD1-CE 3.41Å; D262-K266 IonicContact OD1-NZ 3.25Å; D262-K266 PolarHBondContact OD1-NZ 3.33Å; D262-K266 WeakPolarHBondContact OD2-CE 3.43Å; D262-K266 IonicContact OD2-NZ 3.76Å; D262-K266 PolarHBondContact OD2-NZ 2.83Å; L263-K266 PolarHBondContact O-N 3.19Å; A264-K266 PolarHBondContact O-N 2.97Å; K266-P276 HydrophobicContact CB-CG 4.21Å; K266-P276 WeakPolarHBondContact O-CD 3.34Å
267C98.7Very high97.6Very high0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-67.9-37.2173.7-69.20000113.4V185 L263 A264 Q269 R275V185-C267 HydrophobicContact CG1-CB 4.16Å; V185-C267 WeakPolarHBondContact O-CB 3.25Å; L263-C267 PolarHBondContact O-N 2.71Å; L263-C267 VanDerWaalsContact O-N 3.09Å; L263-C267 PolarHBondContact O-SG 3.4Å; L263-C267 VanDerWaalsContact O-SG 3.39Å; A264-C267 PolarHBondContact O-N 2.92Å; C267-Q269 PolarHBondContact O-N 3.47Å; C267-R275 VanDerWaalsContact O-CD 3.27Å; C267-R275 WeakPolarHBondContact O-CD 3.22Å
268L98.5Very high97.7Very high2 Ų239.5 Ų39.51%0.0121%0.214CC..THydrogen-bonded Turntrans-95.333.4-171-64.1169.7000114W186 L201 F202 L218 L249 A264 K265 I270W186-L268 HydrophobicContact CD2-CD2 3.74Å; W186-L268 HydrophobicContact CE3-CB 4.48Å; W186-L268 HydrophobicContact CE3-CD2 3.9Å; W186-L268 HydrophobicContact CG-CD2 4.27Å; W186-L268 HydrophobicContact CH2-CD2 4.22Å; W186-L268 HydrophobicContact CZ2-CD2 4.05Å; W186-L268 HydrophobicContact CZ3-CB 4.26Å; W186-L268 HydrophobicContact CZ3-CD2 4.14Å; L201-L268 HydrophobicContact CD2-CD1 3.43Å; L201-L268 VanDerWaalsContact CD2-CD1 3.43Å; L201-L268 HydrophobicContact CD2-CD2 4.39Å; F202-L268 HydrophobicContact CE2-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CB 4.05Å; L218-L268 HydrophobicContact CD2-CB 4.44Å; L249-L268 HydrophobicContact CD1-CD1 3.96Å; A264-L268 HydrophobicContact CB-CD1 4.43Å; A264-L268 VanDerWaalsContact O-CB 3.24Å; A264-L268 WeakPolarHBondContact O-CB 3.46Å; A264-L268 WeakPolarHBondContact O-CG 3.46Å; A264-L268 PolarHBondContact O-N 2.68Å; K265-L268 PolarHBondContact O-N 2.7Å; L268-I270 PolarHBondContact O-N 2.99Å
269Q98.3Very high97.7Very high74 Ų7438.4 Ų38.435%0.34621%0.205SC..  trans-66.7126.6167.9-63.4-62.1-61.800109.8K265 C267 D271 K274 R275K265-Q269 PolarHBondContact O-NE2 2.88Å; C267-Q269 PolarHBondContact O-N 3.47Å; Q269-D271 WeakPolarHBondContact CB-O 3.38Å; Q269-D271 PolarHBondContact O-N 2.84Å; Q269-K274 HydrophobicContact CB-CB 4.08Å; Q269-K274 HydrophobicContact CG-CB 4.11Å; Q269-R275 HydrophobicContact CB-CG 3.88Å; Q269-R275 PolarHBondContact O-NE 2.86Å; Q269-R275 PolarHBondContact O-NH2 3.14Å
270I97.2Very high97.8Very high17 Ų1742.8 Ų42.89%0.08722%0.222CC..SBendtrans-56.5-39.8175.4-68.3-66000110.9P170 W186 I214 L218 L221 I222 L268 R275P170-I270 HydrophobicContact CG-CD1 4.23Å; W186-I270 HydrophobicContact CH2-CD1 4.09Å; W186-I270 HydrophobicContact CZ3-CD1 4.39Å; I214-I270 HydrophobicContact CG2-CD1 3.61Å; L218-I270 HydrophobicContact CB-CD1 3.84Å; L218-I270 HydrophobicContact CB-CG1 4Å; L218-I270 HydrophobicContact CD1-CD1 4.26Å; L221-I270 HydrophobicContact CD2-CG2 4.42Å; I222-I270 HydrophobicContact CG2-CG2 4.33Å; L268-I270 PolarHBondContact O-N 2.99Å; I270-R275 PolarHBondContact O-NH2 3.48Å
271D97.6Very high97.9Very high28 Ų2842.9 Ų42.915%0.1522%0.222CC..SBendtrans-77.6116.1173.4-170.1-18.8000110.2I222 Q269 D273 K274I222-D271 HydrophobicContact CG2-CB 3.9Å; Q269-D271 WeakPolarHBondContact CB-O 3.38Å; Q269-D271 PolarHBondContact O-N 2.84Å; D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 2.9Å; D271-D273 PolarHBondContact OD1-N 3.26Å; D271-D273 VanDerWaalsContact OD1-N 3.14Å; D271-K274 HydrophobicContact CB-CB 4.24Å; D271-K274 HydrophobicContact CB-CD 4.09Å; D271-K274 HydrophobicContact CB-CG 4.01Å; D271-K274 PolarHBondContact O-N 3.06Å; D271-K274 IonicContact OD2-NZ 2.8Å; D271-K274 PolarHBondContact OD2-NZ 3.05Å
272P97.3Very high97.9Very high13 Ų1343.6 Ų43.68%0.08423%0.226CC..G310 helixtrans-66.1-28.6-177.927.9-34.5000112.7A182 K274 R275A182-P272 HydrophobicContact CB-CB 3.8Å; P272-K274 PolarHBondContact O-N 3.47Å; P272-R275 PolarHBondContact O-N 3.19Å
273D96.9Very high97.8Very high133 Ų13347.8 Ų47.871%0.71124%0.243SC*.G310 helixtrans-76.8-7.7-178.4-60.8-31000111.9D271D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 2.9Å; D271-D273 PolarHBondContact OD1-N 3.26Å; D271-D273 VanDerWaalsContact OD1-N 3.14Å
274K98.1Very high97.7Very high131 Ų13148.5 Ų48.557%0.5725%0.248SC*.G310 helixtrans-99-2.1172.4-63.5-170.6176.587.30113.9Q269 D271 P272Q269-K274 HydrophobicContact CB-CB 4.08Å; Q269-K274 HydrophobicContact CG-CB 4.11Å; D271-K274 HydrophobicContact CB-CB 4.24Å; D271-K274 HydrophobicContact CB-CD 4.09Å; D271-K274 HydrophobicContact CB-CG 4.01Å; D271-K274 PolarHBondContact O-N 3.06Å; D271-K274 IonicContact OD2-NZ 2.8Å; D271-K274 PolarHBondContact OD2-NZ 3.05Å; P272-K274 PolarHBondContact O-N 3.47Å
275R98.5Very high97.5Very high20 Ų2052.5 Ų52.58%0.07527%0.27CS..SBendtrans-81.9130.1176.7-62.2-178.9-156.114015.5109.6E171 A182 V185 C267 Q269 I270 P272E171-R275 IonicContact OE1-CZ 3.07Å; E171-R275 IonicContact OE1-NH1 3.1Å; E171-R275 PolarHBondContact OE1-NH1 2.84Å; E171-R275 IonicContact OE1-NH2 2.72Å; E171-R275 IonicContact OE2-CZ 3.91Å; E171-R275 IonicContact OE2-NH1 2.69Å; E171-R275 PolarHBondContact OE2-NH1 2.96Å; E171-R275 IonicContact OE2-NH2 2.86Å; E171-R275 PolarHBondContact OE2-NH2 3.32Å; A182-R275 HydrophobicContact CB-CB 4.5Å; A182-R275 WeakPolarHBondContact O-CD 3.24Å; A182-R275 PolarHBondContact O-NH1 2.83Å; V185-R275 HydrophobicContact CB-CB 4.5Å; V185-R275 HydrophobicContact CG1-CB 3.91Å; C267-R275 VanDerWaalsContact O-CD 3.27Å; C267-R275 WeakPolarHBondContact O-CD 3.22Å; Q269-R275 HydrophobicContact CB-CG 3.88Å; Q269-R275 PolarHBondContact O-NE 2.86Å; Q269-R275 PolarHBondContact O-NH2 3.14Å; I270-R275 PolarHBondContact O-NH2 3.48Å; P272-R275 PolarHBondContact O-N 3.19Å
276P98.4Very high97.5Very high29 Ų2948.9 Ų48.919%0.18825%0.254CS..PPolyproline II helixtrans-68.2156.7178.331.6-37.2000111.2V185 K266 E280 L281V185-P276 WeakPolarHBondContact CG2-O 3.49Å; K266-P276 HydrophobicContact CB-CG 4.21Å; K266-P276 WeakPolarHBondContact O-CD 3.34Å; P276-E280 HydrophobicContact CB-CB 4.11Å; P276-L281 HydrophobicContact CB-CD2 4.4Å; P276-L281 HydrophobicContact CG-CD2 3.47Å; P276-L281 VanDerWaalsContact CG-CD2 3.47Å; P276-L281 HydrophobicContact CG-CG 4.02Å
277S98.4Very high97.5Very high50 Ų5044.9 Ų44.935%0.3524%0.237SC..PPolyproline II helixtrans-67.8157.2171.372.10000111.8A279 E280 L281S277-A279 PolarHBondContact O-N 2.85Å; S277-A279 VanDerWaalsContact O-N 3.12Å; S277-A279 PolarHBondContact OG-N 3.4Å; S277-E280 WeakPolarHBondContact CA-OE2 3.46Å; S277-E280 WeakPolarHBondContact CB-OE2 3.37Å; S277-E280 PolarHBondContact N-OE2 3.4Å; S277-E280 PolarHBondContact O-N 3.42Å; S277-E280 VanDerWaalsContact O-N 3.07Å; S277-E280 PolarHBondContact OG-N 3.17Å; S277-E280 PolarHBondContact OG-OE2 3.38Å; S277-L281 WeakPolarHBondContact O-CG 3.49Å; S277-L281 PolarHBondContact O-N 2.91Å
278C98.2Very high97.3Very high1 Ų147.7 Ų47.71%0.00725%0.252CS..Hα-helixtrans-61-20.6173.7-63.90000113.5I111 I114 A115 L282I111-C278 HydrophobicContact CG2-CB 3.84Å; I111-C278 WeakPolarHBondContact CG2-O 3.35Å; I114-C278 WeakPolarHBondContact CG2-SG 3.44Å; A115-C278 HydrophobicContact CB-CB 3.79Å; C278-L282 WeakPolarHBondContact O-CG 3.31Å; C278-L282 PolarHBondContact O-N 3.16Å
279A95.5Very high96.9Very high59 Ų5955.1 Ų55.149%0.48828%0.284SS..Hα-helixtrans-71.2-43.1172.800000111.8S277 L282S277-A279 PolarHBondContact O-N 2.85Å; S277-A279 VanDerWaalsContact O-N 3.12Å; S277-A279 PolarHBondContact OG-N 3.4Å; A279-L282 PolarHBondContact O-N 2.88Å
280E97.8Very high96.7Very high116 Ų11655.2 Ų55.254%0.54229%0.287SS..Hα-helixtrans-70.3-35.4176.4-67.7156.7114.100111.9P276 S277 L282 Q283P276-E280 HydrophobicContact CB-CB 4.11Å; S277-E280 WeakPolarHBondContact CA-OE2 3.46Å; S277-E280 WeakPolarHBondContact CB-OE2 3.37Å; S277-E280 PolarHBondContact N-OE2 3.4Å; S277-E280 PolarHBondContact O-N 3.42Å; S277-E280 VanDerWaalsContact O-N 3.07Å; S277-E280 PolarHBondContact OG-N 3.17Å; S277-E280 PolarHBondContact OG-OE2 3.38Å; E280-L282 PolarHBondContact O-N 2.94Å; E280-Q283 WeakPolarHBondContact O-CB 3.31Å; E280-Q283 PolarHBondContact O-N 3.08Å
281L98.2Very high96.6Very high3 Ų355.6 Ų55.62%0.01630%0.295CS..Hα-helixtrans-57.8-34173.5-71.8-177.6000112.5I111 V185 L263 P276 S277 Q283 C284 F287I111-L281 HydrophobicContact CD1-CB 4.35Å; I111-L281 HydrophobicContact CG2-CB 3.91Å; I111-L281 HydrophobicContact CG2-CD1 4.48Å; V185-L281 HydrophobicContact CG1-CD1 4.18Å; L263-L281 HydrophobicContact CD1-CD2 3.74Å; P276-L281 HydrophobicContact CB-CD2 4.4Å; P276-L281 HydrophobicContact CG-CD2 3.47Å; P276-L281 VanDerWaalsContact CG-CD2 3.47Å; P276-L281 HydrophobicContact CG-CG 4.02Å; S277-L281 WeakPolarHBondContact O-CG 3.49Å; S277-L281 PolarHBondContact O-N 2.91Å; L281-Q283 PolarHBondContact O-N 2.99Å; L281-C284 PolarHBondContact O-N 2.86Å; L281-C284 PolarHBondContact O-SG 3.15Å; L281-F287 VanDerWaalsContact O-CD2 3.32Å; L281-F287 WeakPolarHBondContact O-CD2 3.42Å; L281-F287 WeakPolarHBondContact O-CE2 3.43Å
282L97.2Very high96.6Very high25 Ų2555 Ų5513%0.13129%0.291CS..THydrogen-bonded Turntrans-71-14.5175.7-66.7168.6000113.5F108 I111 R112 C278 A279 E280 N288F108-L282 HydrophobicContact CD2-CD2 3.7Å; F108-L282 HydrophobicContact CE2-CD2 3.92Å; F108-L282 HydrophobicContact CG-CD2 4.4Å; I111-L282 HydrophobicContact CB-CD2 3.96Å; I111-L282 HydrophobicContact CB-CG 4.43Å; I111-L282 HydrophobicContact CG2-CD1 4.32Å; I111-L282 HydrophobicContact CG2-CD2 3.75Å; I111-L282 HydrophobicContact CG2-CG 3.67Å; R112-L282 HydrophobicContact CG-CD1 3.63Å; R112-L282 HydrophobicContact CG-CD2 3.9Å; R112-L282 HydrophobicContact CG-CG 4.44Å; C278-L282 WeakPolarHBondContact O-CG 3.31Å; C278-L282 PolarHBondContact O-N 3.16Å; A279-L282 PolarHBondContact O-N 2.88Å; E280-L282 PolarHBondContact O-N 2.94Å; L282-N288 PolarHBondContact O-ND2 3.15Å
283Q96.1Very high96.5Very high140 Ų14054.9 Ų54.965%0.65429%0.292SS*.THydrogen-bonded Turntrans-93.1-5.1179.1-54.7-52.2-47.100113.7E280 L281 N288E280-Q283 WeakPolarHBondContact O-CB 3.31Å; E280-Q283 PolarHBondContact O-N 3.08Å; L281-Q283 PolarHBondContact O-N 2.99Å; Q283-N288 VanDerWaalsContact CA-ND2 3.33Å; Q283-N288 WeakPolarHBondContact CA-ND2 3.48Å; Q283-N288 PolarHBondContact O-ND2 3.48Å
284C95.4Very high96.5Very high15 Ų1555.7 Ų55.710%0.10129%0.291CS..SBendtrans-71.4160.2-17671.70000114.1L281 F286 F287 N288L281-C284 PolarHBondContact O-N 2.86Å; L281-C284 PolarHBondContact O-SG 3.15Å; C284-F286 PolarHBondContact O-N 3.38Å; C284-F286 VanDerWaalsContact O-N 3.1Å; C284-F287 PolarHBondContact O-N 3.11Å; C284-N288 PolarHBondContact O-N 3.06Å; C284-N288 VanDerWaalsContact O-N 3.12Å; C284-N288 PolarHBondContact O-ND2 2.9Å
285D95.3Very high96.4Very high85 Ų8556.2 Ų56.246%0.45529%0.29SS..Hα-helixtrans-46.4-39.5174.8-90.947.2000112.7F287 N288 K289D285-F287 PolarHBondContact O-N 3.18Å; D285-F287 VanDerWaalsContact O-N 3.1Å; D285-N288 PolarHBondContact O-N 3.21Å; D285-K289 HydrophobicContact CB-CB 4.28Å; D285-K289 WeakPolarHBondContact O-CB 3.45Å; D285-K289 PolarHBondContact O-N 3.33Å; D285-K289 WeakPolarHBondContact OD2-CD 3.47Å; D285-K289 IonicContact OD2-NZ 3.05Å; D285-K289 PolarHBondContact OD2-NZ 2.98Å; D285-K289 VanDerWaalsContact OD2-NZ 3.1Å
286F97.1Very high96.4Very high1 Ų155.4 Ų55.40%0.00429%0.287CS..Hα-helixtrans-58.6-24.3-178.9-176.9-93.5000112.7Y100 R104 L107 A259 A260 L263 C284Y100-F286 HydrophobicContact CE1-CE2 4.45Å; Y100-F286 HydrophobicContact CE2-CD2 4.43Å; Y100-F286 AromaticContact CE2-CE2 3.67Å; Y100-F286 HydrophobicContact CE2-CE2 3.67Å; Y100-F286 AromaticContact CZ-CE2 3.6Å; Y100-F286 WeakPolarHBondContact OH-CD2 3.33Å; Y100-F286 WeakPolarHBondContact OH-CE2 3.16Å; R104-F286 HydrophobicContact CB-CE1 4.15Å; R104-F286 HydrophobicContact CB-CZ 4.12Å; R104-F286 HydrophobicContact CG-CD1 4.36Å; R104-F286 HydrophobicContact CG-CE1 3.83Å; R104-F286 HydrophobicContact CG-CZ 4.12Å; R104-F286 VanDerWaalsContact CZ-O 3.23Å; R104-F286 PolarHBondContact NE-O 3.04Å; R104-F286 PolarHBondContact NH2-O 2.82Å; L107-F286 HydrophobicContact CD1-CE1 3.82Å; L107-F286 HydrophobicContact CD1-CZ 4.01Å; A259-F286 HydrophobicContact CB-CB 4.18Å; A259-F286 HydrophobicContact CB-CD2 4.22Å; A260-F286 HydrophobicContact CB-CD2 4.14Å; A260-F286 HydrophobicContact CB-CE2 3.89Å; L263-F286 HydrophobicContact CB-CB 4.4Å; L263-F286 HydrophobicContact CD2-CB 4.19Å; L263-F286 HydrophobicContact CD2-CD1 3.43Å; L263-F286 VanDerWaalsContact CD2-CD1 3.43Å; L263-F286 HydrophobicContact CD2-CE1 3.85Å; L263-F286 HydrophobicContact CD2-CG 3.8Å; C284-F286 PolarHBondContact O-N 3.38Å; C284-F286 VanDerWaalsContact O-N 3.1Å
287F97.7Very high96.3Very high0 Ų055.3 Ų55.30%029%0.289CS..Hα-helixtrans-107.4-24.9172.9-58.5-64.8000114.6R104 L107 F108 I111 L263 L281 C284 D285 F292 A293R104-F287 HydrophobicContact CG-CD1 4.16Å; R104-F287 HydrophobicContact CG-CE1 4.3Å; L107-F287 HydrophobicContact CB-CE1 4.21Å; L107-F287 HydrophobicContact CB-CZ 3.94Å; F108-F287 HydrophobicContact CB-CD1 3.95Å; F108-F287 HydrophobicContact CB-CE1 3.72Å; F108-F287 HydrophobicContact CB-CZ 4.48Å; F108-F287 HydrophobicContact CD2-CB 4.29Å; F108-F287 AromaticContact CD2-CD1 3.77Å; F108-F287 HydrophobicContact CD2-CD1 3.77Å; F108-F287 HydrophobicContact CD2-CE1 4.26Å; F108-F287 AromaticContact CD2-CG 3.98Å; F108-F287 HydrophobicContact CD2-CG 3.98Å; F108-F287 HydrophobicContact CG-CD1 4.33Å; I111-F287 HydrophobicContact CD1-CE2 3.69Å; I111-F287 HydrophobicContact CD1-CZ 3.67Å; L263-F287 HydrophobicContact CD2-CE2 4.23Å; L263-F287 HydrophobicContact CD2-CZ 4.2Å; L281-F287 VanDerWaalsContact O-CD2 3.32Å; L281-F287 WeakPolarHBondContact O-CD2 3.42Å; L281-F287 WeakPolarHBondContact O-CE2 3.43Å; C284-F287 PolarHBondContact O-N 3.11Å; D285-F287 PolarHBondContact O-N 3.18Å; D285-F287 VanDerWaalsContact O-N 3.1Å; F287-F292 HydrophobicContact CD1-CD1 4.37Å; F287-F292 HydrophobicContact CD1-CE1 4.12Å; F287-F292 WeakPolarHBondContact O-CB 3.41Å; F287-A293 HydrophobicContact CB-CB 4.33Å; F287-A293 PolarHBondContact O-N 3.28Å
288N95.3Very high96.2Very high59 Ų5957.7 Ų57.732%0.31629%0.294SS..Hα-helixtrans-113.1-20.5-165.6-61.4-75.6000115.7L282 Q283 C284 D285 D290 G291 A293L282-N288 PolarHBondContact O-ND2 3.15Å; Q283-N288 VanDerWaalsContact CA-ND2 3.33Å; Q283-N288 WeakPolarHBondContact CA-ND2 3.48Å; Q283-N288 PolarHBondContact O-ND2 3.48Å; C284-N288 PolarHBondContact O-N 3.06Å; C284-N288 VanDerWaalsContact O-N 3.12Å; C284-N288 PolarHBondContact O-ND2 2.9Å; D285-N288 PolarHBondContact O-N 3.21Å; N288-D290 PolarHBondContact O-N 3.11Å; N288-G291 PolarHBondContact O-N 3.14Å; N288-A293 VanDerWaalsContact OD1-CB 3.31Å; N288-A293 WeakPolarHBondContact OD1-CB 3.46Å
289K90.3Very high96.2Very high158 Ų15860.6 Ų60.669%0.68731%0.308SS*.THydrogen-bonded Turntrans-55.2-28.6-170.2-176.7172.7-162.7130.30115.5D285D285-K289 HydrophobicContact CB-CB 4.28Å; D285-K289 WeakPolarHBondContact O-CB 3.45Å; D285-K289 PolarHBondContact O-N 3.33Å; D285-K289 WeakPolarHBondContact OD2-CD 3.47Å; D285-K289 IonicContact OD2-NZ 3.05Å; D285-K289 PolarHBondContact OD2-NZ 2.98Å; D285-K289 VanDerWaalsContact OD2-NZ 3.1Å
290D94.3Very high96.3Very high76 Ų7657.8 Ų57.841%0.40629%0.285SS..THydrogen-bonded Turntrans-118.213.1-179.269.3-31.1000112.4R104 N288 F292 R295R104-D290 IonicContact CZ-OD1 2.63Å; R104-D290 VanDerWaalsContact CZ-OD1 3.27Å; R104-D290 IonicContact CZ-OD2 2.65Å; R104-D290 VanDerWaalsContact NH1-CG 3.26Å; R104-D290 IonicContact NH1-OD1 2.71Å; R104-D290 PolarHBondContact NH1-OD1 3.28Å; R104-D290 VanDerWaalsContact NH1-OD1 3.08Å; R104-D290 IonicContact NH1-OD2 3.11Å; R104-D290 PolarHBondContact NH1-OD2 2.85Å; R104-D290 IonicContact NH2-OD1 3.78Å; R104-D290 PolarHBondContact NH2-OD1 3.02Å; R104-D290 IonicContact NH2-OD2 2.72Å; N288-D290 PolarHBondContact O-N 3.11Å; D290-F292 VanDerWaalsContact C-N 3.32Å; D290-F292 PolarHBondContact O-N 3.13Å; D290-F292 WeakPolarHBondContact OD1-CB 3.32Å; D290-F292 PolarHBondContact OD1-N 3Å; D290-F292 VanDerWaalsContact OD1-N 3.17Å; D290-R295 PolarHBondContact O-NH1 3.1Å; D290-R295 PolarHBondContact O-NH2 3.17Å; D290-R295 IonicContact OD2-NH2 2.65Å; D290-R295 PolarHBondContact OD2-NH2 3.04Å
291G94.9Very high96.2Very high26 Ų2657 Ų5727%0.26828%0.279SS..SBendtrans69.819.8-174.400000115.1N288 R295N288-G291 PolarHBondContact O-N 3.14Å; G291-R295 PolarHBondContact O-N 3.05Å; G291-R295 PolarHBondContact O-NH1 3.29Å
292F97.3Very high96.1Very high14 Ų1462.1 Ų62.16%0.06131%0.306CS..Hα-helixtrans-60.4-43.8-179.9162.9-85.7000113.5R104 K105 F108 F287 D290 E294 R295 F296R104-F292 HydrophobicContact CB-CE2 4.46Å; R104-F292 HydrophobicContact CB-CZ 4.15Å; R104-F292 HydrophobicContact CG-CD1 4.02Å; R104-F292 HydrophobicContact CG-CD2 4.44Å; R104-F292 HydrophobicContact CG-CE1 3.68Å; R104-F292 HydrophobicContact CG-CE2 4.1Å; R104-F292 HydrophobicContact CG-CG 4.4Å; R104-F292 HydrophobicContact CG-CZ 3.71Å; K105-F292 HydrophobicContact CB-CZ 4.49Å; K105-F292 HydrophobicContact CG-CE2 3.79Å; K105-F292 HydrophobicContact CG-CZ 3.66Å; F108-F292 HydrophobicContact CB-CE1 4.32Å; F108-F292 HydrophobicContact CG-CE1 4.41Å; F287-F292 HydrophobicContact CD1-CD1 4.37Å; F287-F292 HydrophobicContact CD1-CE1 4.12Å; F287-F292 WeakPolarHBondContact O-CB 3.41Å; D290-F292 VanDerWaalsContact C-N 3.32Å; D290-F292 PolarHBondContact O-N 3.13Å; D290-F292 WeakPolarHBondContact OD1-CB 3.32Å; D290-F292 PolarHBondContact OD1-N 3Å; D290-F292 VanDerWaalsContact OD1-N 3.17Å; F292-E294 VanDerWaalsContact C-N 3.31Å; F292-E294 PolarHBondContact O-N 3.04Å; F292-R295 PolarHBondContact O-N 3.05Å; F292-F296 HydrophobicContact CD1-CB 4.43Å; F292-F296 HydrophobicContact CD2-CB 4.32Å; F292-F296 HydrophobicContact CE1-CB 4.06Å; F292-F296 AromaticContact CE1-CD1 3.9Å; F292-F296 HydrophobicContact CE1-CD1 3.9Å; F292-F296 HydrophobicContact CE1-CG 4.24Å; F292-F296 HydrophobicContact CE2-CB 3.97Å; F292-F296 HydrophobicContact CE2-CD1 4.42Å; F292-F296 HydrophobicContact CE2-CG 4.11Å; F292-F296 HydrophobicContact CZ-CB 3.82Å; F292-F296 AromaticContact CZ-CD1 3.58Å; F292-F296 HydrophobicContact CZ-CD1 3.58Å; F292-F296 HydrophobicContact CZ-CE1 4.35Å; F292-F296 AromaticContact CZ-CG 3.72Å; F292-F296 HydrophobicContact CZ-CG 3.72Å; F292-F296 VanDerWaalsContact O-CB 3.23Å; F292-F296 WeakPolarHBondContact O-CB 3.39Å; F292-F296 PolarHBondContact O-N 3.03Å
293A96.4Very high96Very high12 Ų1263.4 Ų63.410%0.09931%0.311CS..Hα-helixtrans-55.9-44.5-175.800000112.8F108 F287 N288 A297F108-A293 HydrophobicContact CE2-CB 3.72Å; F108-A293 HydrophobicContact CZ-CB 4.13Å; F287-A293 HydrophobicContact CB-CB 4.33Å; F287-A293 PolarHBondContact O-N 3.28Å; N288-A293 VanDerWaalsContact OD1-CB 3.31Å; N288-A293 WeakPolarHBondContact OD1-CB 3.46Å; A293-A297 WeakPolarHBondContact O-CB 3.32Å; A293-A297 PolarHBondContact O-N 3.47Å
294E95.6Very high95.9Very high150 Ų15058.7 Ų58.770%0.70129%0.289SS*.Hα-helixtrans-65.3-54.8177.3-177.3-179.2-156.700111.5F292 F296 A297 E298F292-E294 VanDerWaalsContact C-N 3.31Å; F292-E294 PolarHBondContact O-N 3.04Å; E294-F296 VanDerWaalsContact C-N 3.29Å; E294-F296 PolarHBondContact O-N 3.47Å; E294-A297 WeakPolarHBondContact O-CB 3.32Å; E294-A297 PolarHBondContact O-N 3.36Å; E294-E298 PolarHBondContact O-N 3.18Å
295R97.3Very high95.8Very high141 Ų14163.3 Ų63.353%0.53231%0.309SS..Hα-helixtrans-58.7-40.8179.2-68.6-168.2-61.2-81.91.6112.5D290 G291 F292 E298 E299D290-R295 PolarHBondContact O-NH1 3.1Å; D290-R295 PolarHBondContact O-NH2 3.17Å; D290-R295 IonicContact OD2-NH2 2.65Å; D290-R295 PolarHBondContact OD2-NH2 3.04Å; G291-R295 PolarHBondContact O-N 3.05Å; G291-R295 PolarHBondContact O-NH1 3.29Å; F292-R295 PolarHBondContact O-N 3.05Å; R295-E298 PolarHBondContact O-N 2.63Å; R295-E299 PolarHBondContact O-N 3.17Å; R295-E299 VanDerWaalsContact O-N 3.13Å
296F97.8Very high95.6Very high3 Ų363.8 Ų63.81%0.01331%0.308CS..Hα-helixtrans-75.8-27.6-178.5-175.2-125.1000112.5K105 F108 Q109 F292 E294 E298 E299 L300K105-F296 HydrophobicContact CB-CE1 3.87Å; K105-F296 HydrophobicContact CB-CE2 4.06Å; K105-F296 HydrophobicContact CB-CZ 3.6Å; K105-F296 HydrophobicContact CD-CD2 3.94Å; K105-F296 HydrophobicContact CD-CE2 3.61Å; K105-F296 HydrophobicContact CD-CZ 4.08Å; K105-F296 HydrophobicContact CG-CD1 4.16Å; K105-F296 HydrophobicContact CG-CD2 3.84Å; K105-F296 HydrophobicContact CG-CE1 3.88Å; K105-F296 HydrophobicContact CG-CE2 3.57Å; K105-F296 HydrophobicContact CG-CG 4.15Å; K105-F296 HydrophobicContact CG-CZ 3.6Å; K105-F296 WeakPolarHBondContact O-CE1 3.37Å; F108-F296 HydrophobicContact CB-CD1 4.36Å; F108-F296 HydrophobicContact CB-CE1 4.34Å; F108-F296 AromaticContact CD1-CD1 3.53Å; F108-F296 HydrophobicContact CD1-CD1 3.53Å; F108-F296 AromaticContact CD1-CE1 3.77Å; F108-F296 HydrophobicContact CD1-CE1 3.77Å; F108-F296 HydrophobicContact CE1-CD1 4.04Å; F108-F296 HydrophobicContact CG-CD1 4.14Å; F108-F296 HydrophobicContact CG-CE1 4.43Å; Q109-F296 HydrophobicContact CG-CE1 4.1Å; Q109-F296 HydrophobicContact CG-CZ 4.36Å; F292-F296 HydrophobicContact CD1-CB 4.43Å; F292-F296 HydrophobicContact CD2-CB 4.32Å; F292-F296 HydrophobicContact CE1-CB 4.06Å; F292-F296 AromaticContact CE1-CD1 3.9Å; F292-F296 HydrophobicContact CE1-CD1 3.9Å; F292-F296 HydrophobicContact CE1-CG 4.24Å; F292-F296 HydrophobicContact CE2-CB 3.97Å; F292-F296 HydrophobicContact CE2-CD1 4.42Å; F292-F296 HydrophobicContact CE2-CG 4.11Å; F292-F296 HydrophobicContact CZ-CB 3.82Å; F292-F296 AromaticContact CZ-CD1 3.58Å; F292-F296 HydrophobicContact CZ-CD1 3.58Å; F292-F296 HydrophobicContact CZ-CE1 4.35Å; F292-F296 AromaticContact CZ-CG 3.72Å; F292-F296 HydrophobicContact CZ-CG 3.72Å; F292-F296 VanDerWaalsContact O-CB 3.23Å; F292-F296 WeakPolarHBondContact O-CB 3.39Å; F292-F296 PolarHBondContact O-N 3.03Å; E294-F296 VanDerWaalsContact C-N 3.29Å; E294-F296 PolarHBondContact O-N 3.47Å; F296-E298 VanDerWaalsContact C-N 3.34Å; F296-E298 PolarHBondContact O-N 3.07Å; F296-E299 HydrophobicContact CD2-CB 4.03Å; F296-E299 HydrophobicContact CD2-CG 4.31Å; F296-E299 PolarHBondContact O-N 2.82Å; F296-L300 HydrophobicContact CE1-CD2 4.45Å; F296-L300 HydrophobicContact CE2-CB 4.41Å; F296-L300 HydrophobicContact CZ-CB 4.41Å; F296-L300 WeakPolarHBondContact O-CB 3.38Å; F296-L300 PolarHBondContact O-N 2.84Å
297A96.5Very high95.2Very high28 Ų2864.6 Ų64.623%0.23131%0.312CS..Hα-helixtrans-60.8-42.4171.400000111.8A293 E294 L300 K301A293-A297 WeakPolarHBondContact O-CB 3.32Å; A293-A297 PolarHBondContact O-N 3.47Å; E294-A297 WeakPolarHBondContact O-CB 3.32Å; E294-A297 PolarHBondContact O-N 3.36Å; A297-L300 PolarHBondContact O-N 3.41Å; A297-K301 WeakPolarHBondContact O-CG 3.42Å; A297-K301 PolarHBondContact O-N 2.91Å; A297-K301 VanDerWaalsContact O-N 3.11Å
298E96.4Very high94.6Very high99 Ų9966.8 Ų66.846%0.46333%0.33SS..Hα-helixtrans-72.3-39.9175.8-56.1-47.5130.400112.7E294 R295 F296 L300 K301 L302E294-E298 PolarHBondContact O-N 3.18Å; R295-E298 PolarHBondContact O-N 2.63Å; F296-E298 VanDerWaalsContact C-N 3.34Å; F296-E298 PolarHBondContact O-N 3.07Å; E298-L300 VanDerWaalsContact C-N 3.27Å; E298-L300 PolarHBondContact O-N 3.22Å; E298-K301 PolarHBondContact O-N 3.1Å; E298-K301 WeakPolarHBondContact OE1-CE 3.37Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 PolarHBondContact OE1-NZ 2.71Å; E298-K301 WeakPolarHBondContact OE2-CD 3.44Å; E298-K301 WeakPolarHBondContact OE2-CE 3.42Å; E298-K301 IonicContact OE2-NZ 2.75Å; E298-K301 PolarHBondContact OE2-NZ 2.65Å; E298-L302 PolarHBondContact O-N 2.93Å
299E97.4Very high94.2Very high62 Ų6270.7 Ų70.729%0.2934%0.34SS..Hα-helixtrans-55.7-44.5171.1-174.7-166.5131.800111.2K105 R295 F296 L302 K303K105-E299 IonicContact NZ-OE1 3.51Å; K105-E299 PolarHBondContact NZ-OE1 3.24Å; K105-E299 IonicContact NZ-OE2 3.52Å; K105-E299 PolarHBondContact NZ-OE2 3.41Å; R295-E299 PolarHBondContact O-N 3.17Å; R295-E299 VanDerWaalsContact O-N 3.13Å; F296-E299 HydrophobicContact CD2-CB 4.03Å; F296-E299 HydrophobicContact CD2-CG 4.31Å; F296-E299 PolarHBondContact O-N 2.82Å; E299-L302 PolarHBondContact O-N 2.89Å; E299-K303 HydrophobicContact CG-CD 4.22Å; E299-K303 WeakPolarHBondContact O-CG 3.3Å; E299-K303 PolarHBondContact O-N 3.03Å; E299-K303 WeakPolarHBondContact OE1-CE 3.49Å; E299-K303 IonicContact OE1-NZ 2.8Å; E299-K303 PolarHBondContact OE1-NZ 3.39Å
300L97.1Very high93.8Very high1 Ų166 Ų661%0.00532%0.323CS..Hα-helixtrans-68-41.3-176.418056.5000112.1Q109 V139 F296 A297 E298 L302 K303 I304Q109-L300 HydrophobicContact CG-CD1 4.37Å; Q109-L300 HydrophobicContact CG-CD2 3.75Å; Q109-L300 VanDerWaalsContact OE1-CD1 3.27Å; V139-L300 HydrophobicContact CG2-CD1 4.1Å; F296-L300 HydrophobicContact CE1-CD2 4.45Å; F296-L300 HydrophobicContact CE2-CB 4.41Å; F296-L300 HydrophobicContact CZ-CB 4.41Å; F296-L300 WeakPolarHBondContact O-CB 3.38Å; F296-L300 PolarHBondContact O-N 2.84Å; A297-L300 PolarHBondContact O-N 3.41Å; E298-L300 VanDerWaalsContact C-N 3.27Å; E298-L300 PolarHBondContact O-N 3.22Å; L300-L302 VanDerWaalsContact C-N 3.3Å; L300-L302 PolarHBondContact O-N 2.97Å; L300-K303 PolarHBondContact O-N 3.31Å; L300-I304 HydrophobicContact CD1-CD1 3.86Å; L300-I304 HydrophobicContact CD1-CG1 4.08Å; L300-I304 HydrophobicContact CG-CD1 3.75Å; L300-I304 HydrophobicContact CG-CG1 4.46Å; L300-I304 WeakPolarHBondContact O-CD1 3.38Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.34Å; L300-I304 PolarHBondContact O-N 3.2Å
301K96.2Very high92.9Very high98 Ų9865.3 Ų65.343%0.42632%0.317SS..Hα-helixtrans-55.5-46172.4-71.7172.8-160.8169.40111.6A297 E298 K303 I304 Q305A297-K301 WeakPolarHBondContact O-CG 3.42Å; A297-K301 PolarHBondContact O-N 2.91Å; A297-K301 VanDerWaalsContact O-N 3.11Å; E298-K301 PolarHBondContact O-N 3.1Å; E298-K301 WeakPolarHBondContact OE1-CE 3.37Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 PolarHBondContact OE1-NZ 2.71Å; E298-K301 WeakPolarHBondContact OE2-CD 3.44Å; E298-K301 WeakPolarHBondContact OE2-CE 3.42Å; E298-K301 IonicContact OE2-NZ 2.75Å; E298-K301 PolarHBondContact OE2-NZ 2.65Å; K301-K303 PolarHBondContact O-N 2.87Å; K301-I304 PolarHBondContact O-N 3.22Å; K301-Q305 WeakPolarHBondContact O-CB 3.4Å; K301-Q305 VanDerWaalsContact O-CG 3.3Å; K301-Q305 WeakPolarHBondContact O-CG 3.22Å; K301-Q305 PolarHBondContact O-N 3.42Å
302L96.1Very high91.7Very high112 Ų11269.5 Ų69.559%0.58633%0.33SS*.Hα-helixtrans-66-36.8179.3-65.9174.1000112.2E298 E299 L300 K306E298-L302 PolarHBondContact O-N 2.93Å; E299-L302 PolarHBondContact O-N 2.89Å; L300-L302 VanDerWaalsContact C-N 3.3Å; L300-L302 PolarHBondContact O-N 2.97Å; L302-K306 PolarHBondContact O-N 3.37Å
303K95.9Very high89.9Confident51 Ų5173.5 Ų73.522%0.22235%0.351CS..Hα-helixtrans-65.3-46.8173.7-76.5176.1163.4-173.90112.7S137 V139 E299 L300 K301 Q305 K306 D307S137-K303 VanDerWaalsContact O-CD 3.28Å; S137-K303 WeakPolarHBondContact O-CD 3.33Å; S137-K303 WeakPolarHBondContact O-CE 3.48Å; S137-K303 PolarHBondContact O-NZ 3.47Å; V139-K303 HydrophobicContact CG2-CB 3.89Å; E299-K303 HydrophobicContact CG-CD 4.22Å; E299-K303 WeakPolarHBondContact O-CG 3.3Å; E299-K303 PolarHBondContact O-N 3.03Å; E299-K303 WeakPolarHBondContact OE1-CE 3.49Å; E299-K303 IonicContact OE1-NZ 2.8Å; E299-K303 PolarHBondContact OE1-NZ 3.39Å; L300-K303 PolarHBondContact O-N 3.31Å; K301-K303 PolarHBondContact O-N 2.87Å; K303-Q305 VanDerWaalsContact C-N 3.3Å; K303-Q305 PolarHBondContact O-N 2.71Å; K303-K306 CarbonylContact O-C 3.55Å; K303-K306 WeakPolarHBondContact O-CA 3.25Å; K303-K306 VanDerWaalsContact O-CB 3.31Å; K303-K306 WeakPolarHBondContact O-CB 3.33Å; K303-K306 PolarHBondContact O-N 3.48Å; K303-D307 PolarHBondContact O-N 2.94Å
304I94.3Very high88.2Confident41 Ų4176.8 Ų76.821%0.2136%0.364CS..Hα-helixtrans-61.1-41.1176.3-66.6158.9000110.7E61 V139 L300 K301 K306 D307 A308E61-I304 HydrophobicContact CB-CD1 3.71Å; E61-I304 HydrophobicContact CB-CG1 4.44Å; E61-I304 HydrophobicContact CG-CD1 3.83Å; E61-I304 WeakPolarHBondContact OE2-CD1 3.11Å; V139-I304 HydrophobicContact CG1-CG1 4.04Å; V139-I304 HydrophobicContact CG2-CG1 3.9Å; L300-I304 HydrophobicContact CD1-CD1 3.86Å; L300-I304 HydrophobicContact CD1-CG1 4.08Å; L300-I304 HydrophobicContact CG-CD1 3.75Å; L300-I304 HydrophobicContact CG-CG1 4.46Å; L300-I304 WeakPolarHBondContact O-CD1 3.38Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.34Å; L300-I304 PolarHBondContact O-N 3.2Å; K301-I304 PolarHBondContact O-N 3.22Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 2.97Å; I304-D307 PolarHBondContact O-N 2.71Å; I304-A308 VanDerWaalsContact O-CB 3.24Å; I304-A308 WeakPolarHBondContact O-CB 3.33Å; I304-A308 PolarHBondContact O-N 3.08Å
305Q92.8Very high86.2Confident112 Ų11275 Ų7552%0.52335%0.354SS..Hα-helixtrans-67.1-25.1172.7-71.3176.920.300113.6K301 K303 R309K301-Q305 WeakPolarHBondContact O-CB 3.4Å; K301-Q305 VanDerWaalsContact O-CG 3.3Å; K301-Q305 WeakPolarHBondContact O-CG 3.22Å; K301-Q305 PolarHBondContact O-N 3.42Å; K303-Q305 VanDerWaalsContact C-N 3.3Å; K303-Q305 PolarHBondContact O-N 2.71Å; Q305-R309 VanDerWaalsContact O-CG 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.39Å; Q305-R309 PolarHBondContact O-N 3.02Å; Q305-R309 PolarHBondContact O-NE 3.36Å
306K90.4Very high83.9Confident96 Ų9675.2 Ų75.242%0.41736%0.359SS..Hα-helixtrans-73.5-55.1171.1-168-156.5172-154.10110.2L302 K303 I304 A308 R309 D310L302-K306 PolarHBondContact O-N 3.37Å; K303-K306 CarbonylContact O-C 3.55Å; K303-K306 WeakPolarHBondContact O-CA 3.25Å; K303-K306 VanDerWaalsContact O-CB 3.31Å; K303-K306 WeakPolarHBondContact O-CB 3.33Å; K303-K306 PolarHBondContact O-N 3.48Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 2.97Å; K306-A308 VanDerWaalsContact C-N 3.3Å; K306-A308 PolarHBondContact O-N 3.44Å; K306-R309 CarbonylContact O-C 3.49Å; K306-R309 WeakPolarHBondContact O-CA 3.34Å; K306-R309 WeakPolarHBondContact O-CB 3.35Å; K306-R309 PolarHBondContact O-N 2.81Å; K306-D310 WeakPolarHBondContact CE-OD2 3.3Å; K306-D310 IonicContact NZ-OD2 2.61Å; K306-D310 PolarHBondContact O-N 3.11Å
307D88.7Confident81.6Confident18 Ų1878.8 Ų78.810%0.09639%0.385CS..Hα-helixtrans-56.6-44-179.5-69.18.1000111.4S135 S137 V139 K303 I304 R309 D310 H311S135-D307 WeakPolarHBondContact CB-OD2 3.47Å; S135-D307 PolarHBondContact OG-OD2 3.4Å; S137-D307 VanDerWaalsContact CB-OD1 3.24Å; S137-D307 WeakPolarHBondContact CB-OD1 3.49Å; S137-D307 PolarHBondContact OG-OD1 3.1Å; S137-D307 PolarHBondContact OG-OD2 2.79Å; S137-D307 VanDerWaalsContact OG-OD2 3.1Å; V139-D307 WeakPolarHBondContact CG2-OD2 3.27Å; K303-D307 PolarHBondContact O-N 2.94Å; I304-D307 PolarHBondContact O-N 2.71Å; D307-R309 VanDerWaalsContact C-N 3.29Å; D307-R309 PolarHBondContact O-N 3.25Å; D307-D310 PolarHBondContact O-N 2.76Å; D307-H311 PolarHBondContact O-CD2 2.91Å; D307-H311 PolarHBondContact O-N 3.02Å
308A86.7Confident79.4Confident45 Ų4582.6 Ų82.637%0.37240%0.396SS..Hα-helixtrans-61.5-33.4175.400000113.3I304 K306 Q312I304-A308 VanDerWaalsContact O-CB 3.24Å; I304-A308 WeakPolarHBondContact O-CB 3.33Å; I304-A308 PolarHBondContact O-N 3.08Å; K306-A308 VanDerWaalsContact C-N 3.3Å; K306-A308 PolarHBondContact O-N 3.44Å; A308-Q312 VanDerWaalsContact O-CG 3.28Å; A308-Q312 WeakPolarHBondContact O-CG 3.33Å; A308-Q312 PolarHBondContact O-N 3.29Å
309R85.4Confident77.2Confident142 Ų14281.5 Ų81.554%0.53639%0.392SS..Hα-helixtrans-74.9-41.3172.6-78.4179.7-66154.9-0.8111.8Q305 K306 D307 H311 Q312 L313Q305-R309 VanDerWaalsContact O-CG 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.39Å; Q305-R309 PolarHBondContact O-N 3.02Å; Q305-R309 PolarHBondContact O-NE 3.36Å; K306-R309 CarbonylContact O-C 3.49Å; K306-R309 WeakPolarHBondContact O-CA 3.34Å; K306-R309 WeakPolarHBondContact O-CB 3.35Å; K306-R309 PolarHBondContact O-N 2.81Å; D307-R309 VanDerWaalsContact C-N 3.29Å; D307-R309 PolarHBondContact O-N 3.25Å; R309-H311 PolarHBondContact O-N 2.73Å; R309-Q312 CarbonylContact O-C 3.47Å; R309-Q312 WeakPolarHBondContact O-CA 3.45Å; R309-Q312 WeakPolarHBondContact O-CB 3.5Å; R309-Q312 PolarHBondContact O-N 3.39Å; R309-L313 WeakPolarHBondContact O-CB 3.13Å; R309-L313 VanDerWaalsContact O-CG 3.31Å; R309-L313 WeakPolarHBondContact O-CG 3.34Å; R309-L313 PolarHBondContact O-N 3.29Å
310D81.6Confident74.5Confident59 Ų5980.6 Ų80.632%0.31640%0.4SS..Hα-helixtrans-65.3-40.2-179.4-68.5-16.8000110.7K306 D307 Q312 L313 Q314K306-D310 WeakPolarHBondContact CE-OD2 3.3Å; K306-D310 IonicContact NZ-OD2 2.61Å; K306-D310 PolarHBondContact O-N 3.11Å; D307-D310 PolarHBondContact O-N 2.76Å; D310-Q312 VanDerWaalsContact C-N 3.33Å; D310-Q312 PolarHBondContact O-N 3.05Å; D310-L313 PolarHBondContact O-N 3.01Å; D310-Q314 WeakPolarHBondContact O-CG 3.47Å; D310-Q314 PolarHBondContact O-N 2.94Å
311H75.6Confident72Confident62 Ų6288.6 Ų88.629%0.28744%0.435SS..Hα-helixtrans-62.2-34.2169-70.2-59.5000113.2D307 R309D307-H311 PolarHBondContact O-CD2 2.91Å; D307-H311 PolarHBondContact O-N 3.02Å; R309-H311 PolarHBondContact O-N 2.73Å
312Q70.9Confident69.5Low114 Ų11490.4 Ų90.453%0.53344%0.442SS..Hα-helixtrans-76.3-31.2173.9-74.8-179.844.400113.6A308 R309 D310 K315 K316A308-Q312 VanDerWaalsContact O-CG 3.28Å; A308-Q312 WeakPolarHBondContact O-CG 3.33Å; A308-Q312 PolarHBondContact O-N 3.29Å; R309-Q312 CarbonylContact O-C 3.47Å; R309-Q312 WeakPolarHBondContact O-CA 3.45Å; R309-Q312 WeakPolarHBondContact O-CB 3.5Å; R309-Q312 PolarHBondContact O-N 3.39Å; D310-Q312 VanDerWaalsContact C-N 3.33Å; D310-Q312 PolarHBondContact O-N 3.05Å; Q312-K315 WeakPolarHBondContact O-CB 3.26Å; Q312-K315 PolarHBondContact O-N 2.7Å; Q312-K316 PolarHBondContact O-N 3.36Å
313L59.8Low66.9Low98 Ų9891 Ų9151%0.51344%0.442SS..Hα-helixtrans-73.8-32.6177.5-73.1167.2000111.1R309 D310 K315 K316 S317R309-L313 WeakPolarHBondContact O-CB 3.13Å; R309-L313 VanDerWaalsContact O-CG 3.31Å; R309-L313 WeakPolarHBondContact O-CG 3.34Å; R309-L313 PolarHBondContact O-N 3.29Å; D310-L313 PolarHBondContact O-N 3.01Å; L313-K315 PolarHBondContact O-N 3.24Å; L313-K316 PolarHBondContact O-N 3.09Å; L313-S317 VanDerWaalsContact O-CB 3.23Å; L313-S317 WeakPolarHBondContact O-CB 3.48Å; L313-S317 PolarHBondContact O-N 3.2Å; L313-S317 PolarHBondContact O-OG 3.08Å
314Q58.8Low64.2Low81 Ų8197.3 Ų97.338%0.37947%0.47SS..Hα-helixtrans-59.2-32.7166.5-71.4-1802500112.6D310D310-Q314 WeakPolarHBondContact O-CG 3.47Å; D310-Q314 PolarHBondContact O-N 2.94Å
315K54.1Low61.7Low112 Ų112102.2 Ų102.249%0.48750%0.496SS..Hα-helixtrans-76.6-41.2174.4-177.4-179.4177.9-176.50112.7N26 Q312 L313 I319N26-K315 HydrophobicContact CB-CG 4.44Å; Q312-K315 WeakPolarHBondContact O-CB 3.26Å; Q312-K315 PolarHBondContact O-N 2.7Å; L313-K315 PolarHBondContact O-N 3.24Å; K315-I319 WeakPolarHBondContact O-CD1 3.08Å; K315-I319 WeakPolarHBondContact O-CG1 3.42Å
316K49.5Very low59.2Low145 Ų145102.1 Ų102.163%0.6350%0.499SS*.Hα-helixtrans-80.3-40.3-176.8-75.5-169.4174.4-1740114.6Q312 L313 K318 I319 G320Q312-K316 PolarHBondContact O-N 3.36Å; L313-K316 PolarHBondContact O-N 3.09Å; K316-K318 PolarHBondContact O-N 3.07Å; K316-I319 PolarHBondContact O-N 2.86Å; K316-I319 VanDerWaalsContact O-N 3.1Å; K316-G320 PolarHBondContact O-N 3.07Å
317S50.4Low56.3Low79 Ų79102.6 Ų102.655%0.55251%0.514SS*.THydrogen-bonded Turntrans-63.2-9.7-173.156.40000115.7L313L313-S317 VanDerWaalsContact O-CB 3.23Å; L313-S317 WeakPolarHBondContact O-CB 3.48Å; L313-S317 PolarHBondContact O-N 3.2Å; L313-S317 PolarHBondContact O-OG 3.08Å
318K50Low53.7Low108 Ų108110.4 Ų110.447%0.4755%0.554SS.*THydrogen-bonded Turntrans-110.8-17.6177.1-66.6176.5-177.2170.40114K316 K321 K322K316-K318 PolarHBondContact O-N 3.07Å; K318-K321 PolarHBondContact O-N 2.98Å; K318-K322 PolarHBondContact O-N 2.85Å
319I48.9Very low51.1Low75 Ų75111.8 Ų111.839%0.38557%0.573SS.*THydrogen-bonded Turntrans-69.2-52.7172.6-70.9171.2000108.9K315 K316 K321 K322 E323K315-I319 WeakPolarHBondContact O-CD1 3.08Å; K315-I319 WeakPolarHBondContact O-CG1 3.42Å; K316-I319 PolarHBondContact O-N 2.86Å; K316-I319 VanDerWaalsContact O-N 3.1Å; I319-K321 PolarHBondContact O-N 3.33Å; I319-K322 PolarHBondContact O-N 3.44Å; I319-E323 HydrophobicContact CG2-CG 4.14Å; I319-E323 WeakPolarHBondContact CG2-OE1 3.33Å; I319-E323 WeakPolarHBondContact O-CG 3.46Å; I319-E323 PolarHBondContact O-N 3.21Å
320G40.6Very low48.5Very low44 Ų44114.5 Ų114.545%0.45459%0.592SS.*THydrogen-bonded Turntrans-67.94.8172.500000115.6K316 E323K316-G320 PolarHBondContact O-N 3.07Å; G320-E323 WeakPolarHBondContact CA-OE2 3.3Å
321K44.9Very low46.1Very low169 Ų169118.9 Ų118.974%0.73561%0.61SS**THydrogen-bonded Turntrans-112.57.5168.8-147.3-176.7-178.5-178.90112.9K318 I319K318-K321 PolarHBondContact O-N 2.98Å; I319-K321 PolarHBondContact O-N 3.33Å
322K44.4Very low44.2Very low135 Ų135126.2 Ų126.259%0.58764%0.636SS**THydrogen-bonded Turntrans-117-38.8169.4-156.3-172.6-177.8-134.40111K318 I319 K324 D325 D326K318-K322 PolarHBondContact O-N 2.85Å; I319-K322 PolarHBondContact O-N 3.44Å; K322-K324 PolarHBondContact O-N 3.34Å; K322-D325 PolarHBondContact O-N 3.08Å; K322-D325 VanDerWaalsContact O-N 3.08Å; K322-D326 WeakPolarHBondContact CE-OD2 3.28Å; K322-D326 IonicContact NZ-OD2 2.95Å; K322-D326 PolarHBondContact NZ-OD2 3.23Å; K322-D326 PolarHBondContact O-N 2.93Å; K322-D326 VanDerWaalsContact O-N 3.1Å
323E42.3Very low42.3Very low126 Ų126130.5 Ų130.559%0.58965%0.652SS**THydrogen-bonded Turntrans-60.5-5.7171.2-66.2169.4156.700114.6I319 G320I319-E323 HydrophobicContact CG2-CG 4.14Å; I319-E323 WeakPolarHBondContact CG2-OE1 3.33Å; I319-E323 WeakPolarHBondContact O-CG 3.46Å; I319-E323 PolarHBondContact O-N 3.21Å; G320-E323 WeakPolarHBondContact CA-OE2 3.3Å
324K38.1Very low40.7Very low182 Ų182133.7 Ų133.779%0.79167%0.667SS**THydrogen-bonded Turntrans-100-13.5174.6-95.1-163.8170.4-167.30115.3K322K322-K324 PolarHBondContact O-N 3.34Å
325D41Very low39.3Very low145 Ų145137.5 Ų137.578%0.77569%0.689SS**THydrogen-bonded Turntrans-104.8-36.6173.5-65.4-24.8000110.6K322 C327K322-D325 PolarHBondContact O-N 3.08Å; K322-D325 VanDerWaalsContact O-N 3.08Å; D325-C327 PolarHBondContact O-N 2.9Å
326D41Very low38.1Very low109 Ų109136.1 Ų136.158%0.58370%0.698SS**  trans-94.480.6176.7-69.4-37.3000111.4K322K322-D326 WeakPolarHBondContact CE-OD2 3.28Å; K322-D326 IonicContact NZ-OD2 2.95Å; K322-D326 PolarHBondContact NZ-OD2 3.23Å; K322-D326 PolarHBondContact O-N 2.93Å; K322-D326 VanDerWaalsContact O-N 3.1Å
327C30.8Very low37.2Very low107 Ų107136.9 Ų136.972%0.72371%0.707SS**  trans-132.840.2175.2-165.90000114.5D325D325-C327 PolarHBondContact O-N 2.9Å
328L32.9Very low36.2Very low181 Ų181141.4 Ų141.495%0.94872%0.72SS**SBendtrans-143.4102.3160.2-75.7-179.7000109.3
329G31.3Very low35Very low74 Ų74143.5 Ų143.576%0.76374%0.736SS**  trans151.3115.7170.800000116.3
330E31.7Very low34.1Very low200 Ų200150.1 Ų150.194%0.93576%0.763SS**  trans59.9107.6148.4-51.4-161.5138.300120.6
331E31.3Very low33.5Very low150 Ų150155.8 Ų155.870%0.70178%0.782SS**  trans-75.1169.3159.8-53-175130.500113.1
332R34.7Very low32.8Very low216 Ų216155 Ų15582%0.81579%0.785SS**  trans77.4132.6162.1-52.3158.3-164.6-153.5-0.3113.8
333K32Very low32Very low204 Ų204154.2 Ų154.289%0.88779%0.787SS**  cis-144.9157.736.4-68.3168.3-179.8169.10113.1
334M26.9Very low31.6Very low166 Ų166153.7 Ų153.782%0.81879%0.794SS**  trans-87.8147.2158.4-64.5164.354.800110.4
335L28.5Very low31.1Very low161 Ų161152.9 Ų152.984%0.84379%0.791SS**  160.2165.3115.8-89.2172.4000113.9
336A28.8Very low30.5Very low82 Ų82151.8 Ų151.868%0.67880%0.795SS**  trans66107.816000000118.9
337I30.9Very low30.1Very low161 Ų161158 Ų15883%0.82681%0.81SS**  trans-75.6139.7146.7-63.5168.5000106.9
338Q28.8Very low29.9Very low174 Ų174161 Ų16181%0.81382%0.819SS**  trans-115135.5166.9-80.8-172.6-21.800110.3
339D26Very low29.8Very low153 Ų153156.2 Ų156.282%0.81881%0.806SS**  trans-73.9146.7176.9-65.3-69.3000112.3N341D339-N341 PolarHBondContact O-N 3.38Å
340F29.8Very low29.6Very low213 Ų213162.3 Ų162.393%0.93481%0.811SS**  trans-74.695.8175.2-83.2-90.3000111
341N27.2Very low29.3Very low163 Ų163159.2 Ų159.287%0.87280%0.8SS**PPolyproline II helixtrans-85.3135.5169.6-133.4-16.2000110.5D339D339-N341 PolarHBondContact O-N 3.38Å
342I30.7Very low29Very low153 Ų153161.6 Ų161.679%0.78581%0.809SS**PPolyproline II helixtrans-98119.9179.8-62.3175.5000108.1P344I342-P344 WeakPolarHBondContact O-CD 3.37Å
343D27.9Very low28.5Very low118 Ų118159.8 Ų159.863%0.63181%0.807SS**PPolyproline II helixtrans-91.4120.1-177.3-164.713.6000111.5K345D343-K345 IonicContact OD1-NZ 3.5Å; D343-K345 PolarHBondContact OD1-NZ 3.25Å; D343-K345 IonicContact OD2-NZ 2.76Å; D343-K345 PolarHBondContact OD2-NZ 2.95Å
344P32.6Very low28.2Very low115 Ų115156.4 Ų156.475%0.74780%0.803SS**  trans-108.5105.5172.633.9-20.8000110.7I342I342-P344 WeakPolarHBondContact O-CD 3.37Å
345K29.2Very low28.1Very low165 Ų165157.6 Ų157.672%0.71780%0.803SS**  trans-133.6101.4168.3-64.9-171.3-168.568.70112.7D343D343-K345 IonicContact OD1-NZ 3.5Å; D343-K345 PolarHBondContact OD1-NZ 3.25Å; D343-K345 IonicContact OD2-NZ 2.76Å; D343-K345 PolarHBondContact OD2-NZ 2.95Å
346S28.8Very low27.9Very low123 Ų123161.4 Ų161.486%0.8681%0.807SS**  -118.4138.4125.859.30000107.7
347R31.3Very low27.8Very low238 Ų238162.6 Ų162.690%0.89881%0.81SS**  trans-109.2137.9163-79.5179.6170174.7-3.9106
348D27.3Very low27.5Very low170 Ų170164.5 Ų164.591%0.90981%0.812SS**  trans-145.3155132.9-125-38.3000110
349A29.6Very low27.5Very low81 Ų81159.8 Ų159.867%0.66980%0.803SS**  trans-140.8124.2-167.800000112.7
350K27.8Very low27.5Very low202 Ų202159.1 Ų159.188%0.87880%0.8SS**  trans-163.6120147.7-105.6141.9-1721740113
351L25.1Very low27.5Very low135 Ų135153.4 Ų153.471%0.70779%0.792SS**  52.4112.2123.4-16973.3000118.6
352F26.1Very low27.5Very low200 Ų200152.7 Ų152.788%0.87778%0.783SS**  -156.1165113.8-119.1-83.2000111.9
353K23.9Very low27.4Very low179 Ų179154 Ų15478%0.77878%0.783SS**  trans-102.9160.9-176.7-66.4174176.8174.30111.6
354V26Very low27.3Very low132 Ų132152.6 Ų152.680%0.879%0.788SS**  141.9130128.8172.50000115
355K23.8Very low27Very low191 Ų191156.2 Ų156.283%0.8380%0.795SS**  trans-13.6139.3164.4-57.1174.3175.4-179.80120.7
356R24.7Very low26.9Very low241 Ų241159.8 Ų159.891%0.90980%0.804SS**  177.1153115.1-98171.5175.3175.8-1.7109.5
357S26.4Very low27.3Very low107 Ų107159.6 Ų159.675%0.74880%0.799SS**  cis-166.3150.4-26.836.70000110
358K25Very low27.1Very low201 Ų201152.6 Ų152.687%0.87479%0.787SS**  trans-75.7161.9163.4-83.8-172.2171-172.10111.1
359A29.3Very low27.1Very low76 Ų76151.9 Ų151.963%0.62878%0.783SS**  cis-143.6-117.4-28.800000109.1
360D25.8Very low27Very low138 Ų138153.6 Ų153.674%0.73879%0.785SS**  cis-155.8146.90.1-83.6-71.2000107.6
361A28.6Very low26.9Very low93 Ų93149.2 Ų149.277%0.76978%0.78SS**  63.8140.4113.800000117.6
362E27.5Very low27Very low149 Ų149147.2 Ų147.270%0.69678%0.777SS**  cis-139.9171.222.7-65.8-162.687.100115.9
363K28.4Very low27Very low181 Ų181145.1 Ų145.179%0.78777%0.774SS**  trans23.3151.4139.2-66.3168.3-171.5150.60121.4
364A27.1Very low27.1Very low87 Ų87146.8 Ų146.872%0.71978%0.777SS**  cis-163.7179.1-10.700000106.9
365E25.3Very low27Very low192 Ų192147.4 Ų147.490%0.89778%0.776SS**  cis-141.1-162.423.1-60-172.1121.700113.3
366R26.8Very low27.2Very low240 Ų240142.6 Ų142.691%0.90677%0.766SS**  trans-147.2169.6179.1-98-174.3178.1-179.10.3107.8
367P37.9Very low27.3Very low118 Ų118135.9 Ų135.977%0.76676%0.762SS**  cis-131.3-155.419.846.5-28.7000111.7
368S27Very low27.4Very low92 Ų92138.7 Ų138.764%0.64377%0.767SS**  cis-157.31393.853.40000112.5
369N27.6Very low27.6Very low154 Ų154136.5 Ų136.582%0.82477%0.765SS**  trans49150.4131.2-66.18000123
370V27.3Very low28.1Very low117 Ų117138.2 Ų138.271%0.70977%0.77SS**  cis-171.2147.9-17.3122.60000108.5
371S26.2Very low28.2Very low110 Ų110142 Ų14277%0.76978%0.78SS**  trans60.2167.8162.4-81.80000119.6
372S25.9Very low28.1Very low93 Ų93146.9 Ų146.965%0.6578%0.784SS**  cis-170.6154.7-3255.50000111.3
373L26.3Very low28.2Very low156 Ų156148.2 Ų148.282%0.81779%0.794SS**  trans27.3119.2144.5-61.1170.9000121
374Y25.8Very low28.1Very low215 Ų215142.7 Ų142.784%0.84379%0.788SS**  trans175.1133.1132.6-105-79.6000105.4
375D24.9Very low29.3Very low145 Ų145144.6 Ų144.678%0.77579%0.794SS**  cis80.5148.123-157.923.4000116.4
376S27.9Very low29.4Very low89 Ų89144.1 Ų144.162%0.62279%0.791SS**  trans74.5101.2171.8-69.30000120.5
377A27.1Very low29.4Very low100 Ų100137.8 Ų137.883%0.82678%0.78SS**  56.8134.9120.400000122.3
378I27.6Very low28.8Very low167 Ų167136.7 Ų136.786%0.85677%0.774SS**  trans-117.6132.6167.5-64.1174.2000109.6
379N29.4Very low28.8Very low154 Ų154139.8 Ų139.882%0.82478%0.783SS**  trans-156.9168.2160.2-115.5-17.7000109.6
380P40.3Very low29Very low113 Ų113139.9 Ų139.973%0.73478%0.776SS**  -105.1157.3-12238.6-37.7000116.1
381F26.5Very low29Very low216 Ų216140.1 Ų140.195%0.94777%0.773SS**  trans-81.1140.7172.4-92.7-91.7000113.4
382K27.1Very low29.2Very low196 Ų196139.6 Ų139.685%0.85277%0.769SS**  trans-162117.1166.2-166.7179.7-171.9-179.30109.8
383I29.7Very low29.4Very low178 Ų178141.2 Ų141.291%0.91378%0.776SS**  trans-169.1157.5162.4-104.7151.5000109.9
384G25.3Very low29.4Very low64 Ų64139.5 Ų139.566%0.6678%0.777SS**  trans-108.9-155.2-173.600000115.6
385P52.4Low29.5Very low128 Ų128134.6 Ų134.683%0.83177%0.774SS**  trans-120.9157.2-138.741.7-33.3000117.9
386Q28.3Very low29.8Very low182 Ų182134.4 Ų134.485%0.8577%0.772SS**  trans-160.7159.6162-75.4-161.8-22.100108.5
387T26.9Very low29.8Very low107 Ų107136.4 Ų136.466%0.65678%0.776SS**  cis-166.5175-24.237.70000108.4
388S25.9Very low30Very low94 Ų94141.5 Ų141.566%0.65778%0.775SS**  trans62.7114.6153.245.10000119.6
389L27.3Very low30.1Very low157 Ų157136.9 Ų136.982%0.82276%0.762SS**  71.6133.787.7-65.6158.7000113
390K30Very low30.1Very low157 Ų157139.1 Ų139.168%0.68376%0.764SS**  cis-165.2158.723.6-124.2168.6163.1-89.90112.7
391D27.4Very low29.6Very low122 Ų122139.3 Ų139.365%0.65277%0.768SS**  trans57.3147.6143.1-58.8-14.8000121.5
392S31.7Very low29.7Very low98 Ų98133.6 Ų133.669%0.68576%0.761SS**  cis-168.2148.2-1.6420000116.4
393T29Very low29.6Very low128 Ų128127.4 Ų127.479%0.78575%0.753SS**  trans78145.2140.149.40000126.3
394S27.3Very low29.5Very low120 Ų120126.6 Ų126.684%0.83975%0.749SS**  trans79.2137.4164.777.40000118
395S27.1Very low29.5Very low111 Ų111129.7 Ų129.778%0.77675%0.754SS**  cis-150.7176.1-8.6-159.60000112.1
396L32.2Very low28.3Very low141 Ų141131.3 Ų131.374%0.73875%0.754SS**  trans-30.5157.9177.2-86.658.3000118.2
397D27.2Very low28.8Very low131 Ų131127.9 Ų127.970%0.70175%0.748SS**  cis-155.8-178.634.6-132.8-34.6000117.7
398Y32.1Very low29.3Very low208 Ų208128 Ų12882%0.81675%0.751SS**  trans-51.4162.4-177.2-87-131.2000118.3
399A29.3Very low29.4Very low70 Ų70130.9 Ų130.958%0.57976%0.757SS**  cis-173.6160.7-7.700000114.9
400K29.9Very low29.4Very low200 Ų200131.2 Ų131.287%0.8776%0.758SS**  trans55.3153.3146.2-72.7174.1-177.4179.90121.2
401S29Very low29.3Very low117 Ų117131 Ų13182%0.81876%0.759SS**  cis-167.3154.5-17.8-178.70000112
402A28Very low29.3Very low97 Ų97131 Ų13180%0.80276%0.76SS**  trans-72176.7-171.700000120.1
403G25.7Very low29Very low65 Ų65133.7 Ų133.767%0.6777%0.765SS**  trans135.8111.4170.200000111.4
404I26.8Very low28.9Very low162 Ų162133.3 Ų133.383%0.83177%0.768SS**  cis78.9139.245.2-48.8174.3000114
405V26.3Very low29Very low129 Ų129131.9 Ų131.978%0.78276%0.763SS**  trans108.4136.4166.4-174.50000116.1
406I27.5Very low29.1Very low161 Ų161133 Ų13383%0.82677%0.765SS**  trans-145.2127.3-173.8-58.1168.1000110.8
407P37.4Very low29Very low111 Ų111132.4 Ų132.472%0.72177%0.768SS**  trans-127.7-149.8170.348.8-35.3000111.1
408P38.5Very low29.2Very low110 Ų110130.2 Ų130.271%0.71477%0.768SS**  trans-133.8160.5-131.435.4-11000120.3
409I26.9Very low29Very low153 Ų153126.2 Ų126.279%0.78577%0.77SS**  trans11.9131.4135.5-42.5172.7000119.6
410I28Very low29.2Very low164 Ų164133.1 Ų133.184%0.84178%0.781SS**  -172.2174.4128.3-98.8165.7000112.6
411Q27.6Very low29Very low153 Ų153128.9 Ų128.972%0.71578%0.777SS**  trans-108.7173.4-144.9-45.7162.4-56.400117.2
412N27.6Very low29.1Very low123 Ų123129.2 Ų129.266%0.65877%0.767SS**  trans92.3130.8139.6-73.2-13.8000123.5
413L26.4Very low29.3Very low154 Ų154131.1 Ų131.181%0.80676%0.764SS**  trans25.4140.4132.9-74.587.7000119.1
414S27Very low29.7Very low120 Ų120132.6 Ų132.684%0.83977%0.77SS**  cis-165.7-169.230.845.20000111.7
415A29.3Very low29.7Very low90 Ų90128.5 Ų128.574%0.74477%0.767SS**  trans-132.5147.8-173.700000114.7
416T29.1Very low30Very low134 Ų134132 Ų13282%0.82278%0.778SS**  trans178164.3163.933.40000108.6
417T29.4Very low29.9Very low128 Ų128127.6 Ų127.679%0.78577%0.773SS**  cis-169.3167-1728.80000108.2
418A30.6Very low29.5Very low86 Ų86128.5 Ų128.571%0.71178%0.781SS**  cis176.9117-34.600000109.4
419S29.6Very low29.1Very low123 Ų123131 Ų13186%0.8679%0.787SS**  trans-145.2122.9177.555.40000111.8
420R32Very low29.9Very low215 Ų215129.6 Ų129.681%0.81179%0.788SS**  cis10799.49.2-166.1-171.7-174.4-163.41.2115.3
421S26.4Very low29.8Very low112 Ų112125.7 Ų125.778%0.78379%0.788SS**  trans-161.8120149.8-144.60000106.5
422M32Very low29.8Very low123 Ų123124.7 Ų124.761%0.60679%0.787SS**  66.4134.168-57.6-55.6-176.700112.5
423N31.3Very low29.9Very low137 Ų137127.5 Ų127.573%0.73380%0.796SS**  cis-142.1149.213.1-103.1-18000110.6
424A33.5Very low29.9Very low97 Ų97126.9 Ų126.980%0.80279%0.794SS**  65.8139.377.800000114.9
425G27.7Very low29.9Very low75 Ų75132.2 Ų132.277%0.77380%0.797SS**  cis-154.9-149.8-1.100000109.6
426M32Very low29.7Very low202 Ų202139.4 Ų139.4100%0.99581%0.805SS**  cis-171.8147.8-6.6-139.8165.171.800107.9
427G25.8Very low29.6Very low70 Ų70137.4 Ų137.472%0.72280%0.802SS**  trans16471.3173.900000122.1
428S29.1Very low29.4Very low129 Ų129138.4 Ų138.490%0.90280%0.798SS**  trans53.1158.6142.5-56.90000125
429I30.8Very low29.2Very low162 Ų162143 Ų14383%0.83181%0.805SS**  trans-131.4164.7-169.3-84.7170.3000107.1
430P42.8Very low29.1Very low125 Ų125144.9 Ų144.981%0.81280%0.797SS**  cis-131.3175.413.925.9-1.7000117.6
431G25.6Very low28.9Very low81 Ų81139.2 Ų139.284%0.83579%0.791SS**  trans-157.4126.1155.900000110.6
432N28.3Very low28.9Very low132 Ų132142.9 Ų142.971%0.70679%0.792SS**  trans-122.4116-168.9177.832.9000112.4
433H29.3Very low28.7Very low182 Ų182146.4 Ų146.484%0.84380%0.804SS**  trans-148.1118.3164.8-89.8-69.7000111.9
434N26.6Very low28.6Very low141 Ų141150.2 Ų150.275%0.75481%0.81SS**  trans-81.4136.7164.8-74.7-58.1000110.2
435Y27Very low28.2Very low232 Ų232153.1 Ų153.191%0.9181%0.811SS**  trans-144.7150.9147.1-98.8-71.6000111.7
436R25.1Very low28.3Very low242 Ų242156.7 Ų156.791%0.91381%0.813SS**  trans-135.1114.6-165.6166.4-174.3169.7177.4-1.9109.7
437A26.6Very low28.1Very low92 Ų92152.4 Ų152.476%0.7680%0.8SS**  trans-154.6108.2169.200000108.9
438E25.7Very low28.3Very low148 Ų148158.4 Ų158.469%0.69281%0.806SS**  81.289.993.4-75.3-153.9150.800115.1K440E438-K440 PolarHBondContact O-N 3.35Å; E438-K440 WeakPolarHBondContact OE2-CE 3.48Å; E438-K440 IonicContact OE2-NZ 3.93Å; E438-K440 PolarHBondContact OE2-NZ 3.27Å
439E26.9Very low28.4Very low183 Ų183159.5 Ų159.586%0.85580%0.802SS**  trans-80.497.9172.1-176.1179.1-16500111.5S441E439-S441 PolarHBondContact O-N 3.4Å
440K25.9Very low28.3Very low163 Ų163161.7 Ų161.771%0.70981%0.805SS**  trans-85.876.3-176.7-78.7173.8178.9155.60113.4E438 K442E438-K440 PolarHBondContact O-N 3.35Å; E438-K440 WeakPolarHBondContact OE2-CE 3.48Å; E438-K440 IonicContact OE2-NZ 3.93Å; E438-K440 PolarHBondContact OE2-NZ 3.27Å; K440-K442 PolarHBondContact O-N 3.07Å
441S27.7Very low27.6Very low96 Ų96164.5 Ų164.567%0.67181%0.807SS**  trans-60.9100.2169-80.80000112.5E439 K443E439-S441 PolarHBondContact O-N 3.4Å; S441-K443 PolarHBondContact O-N 2.84Å
442K28.1Very low27.8Very low188 Ų188164.2 Ų164.282%0.81780%0.804SS**  trans-78.5102.8171.3-73.7-173.7177-178.60111K440K440-K442 PolarHBondContact O-N 3.07Å
443K27.6Very low27.9Very low197 Ų197167.2 Ų167.286%0.85781%0.811SS**  trans-78.5128.4164.4-64.6-179.5-179.9179.30109.4S441S441-K443 PolarHBondContact O-N 2.84Å
444Y28.4Very low27.8Very low218 Ų218167.8 Ų167.886%0.85581%0.814SS**  trans-80.3145162.7-81.1-99.8000109.3
445L25.1Very low27.8Very low157 Ų157166.5 Ų166.582%0.82282%0.815SS**  trans-133.5115.6-173.5-173.475.9000109.5
446N29.6Very low28.4Very low151 Ų151161.6 Ų161.681%0.80781%0.812SS**  trans-74.3126.4177.2-78.9-7.4000110.7F448N446-F448 VanDerWaalsContact C-N 3.34Å; N446-F448 PolarHBondContact O-N 3.37Å; N446-F448 VanDerWaalsContact O-N 3.07Å
447P27.4Very low28.5Very low112 Ų112155 Ų15573%0.72781%0.809SS**SBendtrans-88.848.3-166.636.6-38.6000114.7
448F30.8Very low28.5Very low195 Ų195154.2 Ų154.286%0.85581%0.81SS**  trans-139.177.4174.2-82.4-69.5000113.4N446N446-F448 VanDerWaalsContact C-N 3.34Å; N446-F448 PolarHBondContact O-N 3.37Å; N446-F448 VanDerWaalsContact O-N 3.07Å
449L30Very low28.6Very low153 Ų153155.9 Ų155.980%0.80182%0.818SS**  trans-148.8103.8167.9-114.6124.2000112.9H451L449-H451 PolarHBondContact O-ND1 3.21Å
450K29.6Very low28.6Very low207 Ų207158.3 Ų158.390%0.982%0.821SS**  trans-69.9129.6167.5-77.4-176.9176.7176.70109.4G452K450-G452 PolarHBondContact O-N 3.3Å
451H29Very low28.4Very low184 Ų184155.1 Ų155.185%0.85282%0.819SS**  trans-79115.3-178.5-72.333000111.6L449L449-H451 PolarHBondContact O-ND1 3.21Å
452G28.7Very low28.4Very low76 Ų76156.7 Ų156.778%0.78482%0.824SS**  trans-97.6117.7160.400000109.9K450K450-G452 PolarHBondContact O-N 3.3Å
453K30Very low28.1Very low194 Ų194152.3 Ų152.384%0.84382%0.818SS**  trans-82.9134.3168.5-66.2-179.7178.9-179.60109
454H27.9Very low28Very low195 Ų195150.4 Ų150.490%0.90382%0.816SS**  trans-159.7143.6141.8-99.7-70.3000110.4
455S27.8Very low27.8Very low113 Ų113146.7 Ų146.779%0.7982%0.816SS**  trans-117.8161.7171.6-60.90000108.7
456P39.1Very low27.8Very low130 Ų130144.2 Ų144.284%0.84481%0.812SS**  trans-95.6166-145.936.6-37.9000115.6
457A27.1Very low27.6Very low103 Ų103143.2 Ų143.285%0.85181%0.811SS**  trans-137.1152161.600000109.7
458G26.3Very low27.6Very low76 Ų76142.8 Ų142.878%0.78481%0.81SS**  trans-92.5-171.8-172.800000115.4
459H27.6Very low27.4Very low183 Ų183140.8 Ų140.885%0.84781%0.809SS**  trans-58.6145.8177.7-54-98.6000113.5
460Y26.4Very low27.2Very low233 Ų233142.6 Ų142.691%0.91481%0.813SS**  -162.7-175.1120.4-105.2-66.6000109.9
461S23.3Very low27.1Very low97 Ų97142.2 Ų142.268%0.67881%0.811SS**  trans-141174-15652.30000114.5
462V26.1Very low26.9Very low129 Ų129140.1 Ų140.178%0.78281%0.812SS**  trans100110.1161.1-1780000118.3
463S21.9Very low26.8Very low96 Ų96145.4 Ų145.467%0.67181%0.814SS**  trans54.3133.4140.1-58.90000125.6
464L24.9Very low26.7Very low157 Ų157144.3 Ų144.382%0.82282%0.816SS**  trans44.5118.2131.3-58.5164.7000118.1
465T25.1Very low26.6Very low140 Ų140142.9 Ų142.986%0.85981%0.81SS**  -161.8179.673.832.20000113.6
466S25Very low26.5Very low104 Ų104141.4 Ų141.473%0.72780%0.804SS**  trans-86.4156.6176.652.50000114.3
467V26.3Very low25.9Very low131 Ų131142.8 Ų142.879%0.79480%0.804SS**  177144.8122.2145.20000113.8
468S26.3Very low25.8Very low102 Ų102147.2 Ų147.271%0.71380%0.804SS**  trans35.9136.716268.40000125.2
469N26.3Very low25.9Very low154 Ų154152.6 Ų152.682%0.82481%0.806SS**  trans-31.8153.2148.1-48-43.5000116.4
470E26.1Very low25.6Very low191 Ų191151.4 Ų151.489%0.89380%0.798SS**  -156.8171.2117.4-125175.6-158.100113.4
471K27.1Very low25.5Very low198 Ų198150.7 Ų150.786%0.86179%0.794SS**  trans-132.1128.2178.3-77.6-179.4178.2175.20110.3
472T26.1Very low25.5Very low140 Ų140151 Ų15186%0.85979%0.785SS**  trans-149.8152.4158-110000112.9
473F26Very low25.3Very low188 Ų188154.5 Ų154.583%0.82579%0.79SS**  trans-73.1157.6174.3-90.6-126.2000111.7
474L27.9Very low25.4Very low170 Ų170154.7 Ų154.789%0.8979%0.792SS**  -163.3-178.6115.9-105.8168.4000112.2
475Q25.1Very low25.5Very low166 Ų166156.7 Ų156.778%0.77679%0.794SS**  trans-133.7140.8-142.9-177.6178.40.200114
476A27.6Very low25.7Very low81 Ų81156.3 Ų156.367%0.66979%0.791SS**  trans56.1132158.900000120.6
477N24.6Very low25.7Very low160 Ų160157.9 Ų157.986%0.85679%0.792SS**  -154.3149.1113.4-116.5-58000112.9
478K26.4Very low25.7Very low195 Ų195158.4 Ų158.485%0.84880%0.795SS**  trans-107.5137.4171.2-70.8179178.7176.20109
479K26.9Very low25.7Very low190 Ų190160.7 Ų160.783%0.82679%0.794SS**  trans-136.2149.4151-73.9-163175.5-176.80110.2W481K479-W481 HydrophobicContact CD-CZ3 4.3Å
480K21.7Very low25.5Very low157 Ų157159.3 Ų159.368%0.68379%0.786SS**  trans-138141.7-173.2172.9179.9-176.7-72.70106.8E482K480-E482 WeakPolarHBondContact CE-OE1 3.4Å; K480-E482 WeakPolarHBondContact CE-OE2 3.02Å; K480-E482 WeakPolarHBondContact CG-OE2 3.42Å; K480-E482 IonicContact NZ-OE1 2.63Å; K480-E482 PolarHBondContact NZ-OE1 3.3Å; K480-E482 IonicContact NZ-OE2 2.61Å; K480-E482 PolarHBondContact NZ-OE2 3.07Å
481W23.9Very low26Very low219 Ų219156 Ų15683%0.8378%0.781SS**  trans-153144.3173.7-115.8-67.8000112K479K479-W481 HydrophobicContact CD-CZ3 4.3Å
482E23.3Very low26Very low103 Ų103153.8 Ų153.848%0.48177%0.774SS.*  trans-140.2166.3174.1-70109.7121.100106.6K480K480-E482 WeakPolarHBondContact CE-OE1 3.4Å; K480-E482 WeakPolarHBondContact CE-OE2 3.02Å; K480-E482 WeakPolarHBondContact CG-OE2 3.42Å; K480-E482 IonicContact NZ-OE1 2.63Å; K480-E482 PolarHBondContact NZ-OE1 3.3Å; K480-E482 IonicContact NZ-OE2 2.61Å; K480-E482 PolarHBondContact NZ-OE2 3.07Å
483F23.5Very low26Very low202 Ų202155.2 Ų155.289%0.88678%0.775SS**  cis-117.2-158.319.2-88.6-93.2000110.5
484S24.1Very low26Very low101 Ų101152 Ų15271%0.70677%0.766SS**  cis-157.5-170.916.767.10000113.9
485K26.4Very low26.1Very low199 Ų199152.3 Ų152.387%0.86576%0.763SS**  trans-133.1166.3160.3-73.3-175.8175.6-178.10108.4
486T28.1Very low26.3Very low131 Ų131152.1 Ų152.180%0.80477%0.767SS**  trans-133.9148.2173.4490000110.5
487D26.5Very low26.7Very low138 Ų138154.2 Ų154.274%0.73877%0.773SS**  trans-95160.6-165.3-48.5-83.1000114.8
488V25.8Very low26.9Very low141 Ų141154 Ų15486%0.85577%0.767SS**  trans-143.8139.3159.3-176.10000108.7
489H25.2Very low27Very low150 Ų150151 Ų15169%0.69476%0.76SS**  trans-141.9160.2-175.8-736.1000109.5
490L24Very low26.9Very low125 Ų125152.4 Ų152.465%0.65476%0.76SS**  cis-128.4-127.3-6.2-153.771000107.6E492L490-E492 HydrophobicContact CD2-CG 3.98Å
491P35.7Very low27.1Very low122 Ų122148.4 Ų148.479%0.79276%0.763SS**  cis-106-159-8.444-33000112.8
492E26.2Very low27.3Very low152 Ų152144.5 Ų144.571%0.7176%0.763SS**  trans-126166.5-175.2-55.6165.3127.100112L490L490-E492 HydrophobicContact CD2-CG 3.98Å
493L26.7Very low27.5Very low170 Ų170148.3 Ų148.389%0.8978%0.781SS**  trans-151.5148.6150.9-114.8168.1000110.2
494N26.7Very low27.7Very low120 Ų120143.6 Ų143.664%0.64278%0.78SS**  trans-102.2178.5-157.2-84.9-54000115.3
495H30.6Very low27.6Very low176 Ų176150.7 Ų150.782%0.81579%0.791SS**  trans100.791.5155.2-50.6-66.1000118.6
496L29.1Very low27.6Very low163 Ų163148.3 Ų148.385%0.85379%0.788SS**  trans-84163142.1-80.6165.4000110.2
497P35.6Very low28.4Very low124 Ų124146.4 Ų146.481%0.80578%0.777SS**  -115.6156.4125.3-8.627.8000113.5
498E28.1Very low28.4Very low155 Ų155150.7 Ų150.772%0.72478%0.783SS**  trans-82.8175.5175.7-45.1175.1117.900112.5
499L28Very low28.5Very low133 Ų133152.4 Ų152.470%0.69678%0.78SS**  -178.3132.6105.5-92.2168.6000114.3
500R26.3Very low28.6Very low219 Ų219153.1 Ų153.183%0.82679%0.787SS**  trans15.2128.6151.3-61.7163.2-134.5-120.8-9.1118.3
501G25.5Very low28.7Very low73 Ų73155.7 Ų155.775%0.75379%0.793SS**  123.1163.572.800000108.7
502V28.2Very low28.3Very low138 Ų138157.8 Ų157.884%0.83679%0.79SS**  cis-145.3169.218.1170.50000110.4
503E27.9Very low28.4Very low182 Ų182157.7 Ų157.785%0.8579%0.79SS**  trans-70.5163.2-173.4-49.8146.2135.100116.5
504A26.5Very low28.3Very low104 Ų104156.7 Ų156.786%0.8679%0.785SS**  trans-169.7160.5133.700000112.1
505W22.6Very low28.4Very low249 Ų249161 Ų16194%0.94380%0.798SS**  trans-105150.2-170.5-85.4-27.9000117
506N25.6Very low28.2Very low150 Ų150159 Ų15980%0.80280%0.798SS**  trans-18.4173.6131-82.2-46.3000118.1
507P46.6Very low28.2Very low90 Ų90157.7 Ų157.758%0.58480%0.797SS**  cis-143.2173.917.238.9-18.7000118.3
508R26.7Very low27.7Very low229 Ų229157.2 Ų157.286%0.86480%0.797SS**  166.197.7124.2-88.1164.2-166.8-159.44.7110.7
509F26.7Very low27.8Very low177 Ų177156.5 Ų156.578%0.77679%0.793SS**  70.3106.389.8-90-67.8000116.7
510L26.6Very low27.6Very low164 Ų164156 Ų15686%0.85980%0.801SS**  -166153.6110.5-105165.1000114.2
511K26.9Very low27.8Very low179 Ų179154.9 Ų154.978%0.77880%0.797SS**  trans-66.5163.7179.2-57.1156.9179.31730110.4
512K27.8Very low27.9Very low167 Ų167159 Ų15973%0.72680%0.8SS**  cis-157.317030.9-122.7-178.9-171.7-790106.4
513E26.9Very low27.9Very low150 Ų150157.5 Ų157.570%0.70179%0.793SS**  cis-158.8172.1-0.7-169.8119.6-99.600108.7
514N25.8Very low27.8Very low149 Ų149154.7 Ų154.780%0.79779%0.793SS**  trans-82.3145.6178.1-74.3-24.7000114.6
515K28.9Very low27.9Very low209 Ų209157.2 Ų157.291%0.90979%0.792SS**  trans-148.5106.3141.1-141.4171.6-170.3176.10111.6
516T26.8Very low28.2Very low134 Ų134149.6 Ų149.682%0.82278%0.781SS**  trans-82134.4177.537.20000111.3
517V28.2Very low28.2Very low137 Ų137147.2 Ų147.283%0.8378%0.782SS**  trans-134138.7160.8179.80000106.9
518S25.8Very low27.4Very low113 Ų113150 Ų15079%0.7979%0.791SS**  trans-83.3119.1-168.751.70000113.3
519E28.7Very low27.5Very low141 Ų141146.3 Ų146.366%0.65979%0.789SS**  trans-83.4119160.3-72.6-172.1158.600110.5R521E519-R521 HydrophobicContact CB-CG 4.28Å; E519-R521 PolarHBondContact O-N 2.68Å; E519-R521 IonicContact OE1-NH2 2.68Å; E519-R521 IonicContact OE2-CZ 3.89Å; E519-R521 IonicContact OE2-NE 3.89Å; E519-R521 PolarHBondContact OE2-NE 3.06Å; E519-R521 IonicContact OE2-NH2 3.67Å; E519-R521 PolarHBondContact OE2-NH2 3.32Å
520S25.1Very low27.5Very low121 Ų121145.8 Ų145.885%0.84679%0.793SS**  trans-86.579.6168.556.40000110.3
521R29.4Very low27.7Very low197 Ų197146.3 Ų146.374%0.74379%0.791SS**PPolyproline II helixtrans-75.8126.6174.5-62.6-173.3-175.5-162.3-1.5110.7E519E519-R521 HydrophobicContact CB-CG 4.28Å; E519-R521 PolarHBondContact O-N 2.68Å; E519-R521 IonicContact OE1-NH2 2.68Å; E519-R521 IonicContact OE2-CZ 3.89Å; E519-R521 IonicContact OE2-NE 3.89Å; E519-R521 PolarHBondContact OE2-NE 3.06Å; E519-R521 IonicContact OE2-NH2 3.67Å; E519-R521 PolarHBondContact OE2-NH2 3.32Å
522I28.9Very low27.9Very low159 Ų159145 Ų14582%0.81579%0.792SS**PPolyproline II helixtrans-85.7129.8160.8-60.5176.8000106.8S524I522-S524 PolarHBondContact O-N 2.61Å
523P28Very low28Very low107 Ų107142.1 Ų142.170%0.69580%0.799SS**PPolyproline II helixtrans-75.3119.8-177.629-33.3000111.4
524S25.8Very low28.3Very low123 Ų123140.3 Ų140.386%0.8680%0.803SS**PPolyproline II helixtrans-73.6127.5161.1-170.80000108.8I522I522-S524 PolarHBondContact O-N 2.61Å
525L28.3Very low28.5Very low157 Ų157141.5 Ų141.582%0.82281%0.809SS**PPolyproline II helixtrans-84.9164.1178.2-80.6163.8000112
526A28Very low28.7Very low88 Ų88136.1 Ų136.173%0.72780%0.803SS**  trans60.677.6170.700000116.6
527A25.4Very low29Very low100 Ų100135.4 Ų135.483%0.82680%0.804SS**  trans-83.2134.1137.900000108.3
528I29.9Very low29.1Very low150 Ų150138 Ų13877%0.76981%0.807SS**  trans-132.2118.7165.5-64.5-179.1000106.4
529D29.2Very low29.3Very low151 Ų151141.7 Ų141.781%0.80781%0.812SS**  trans-70.2131.7177.1-71.7-64.4000111.3
530L28Very low29.4Very low165 Ų165143.6 Ų143.686%0.86483%0.825SS**  trans-14253.3167.3-114.6171.4000111.5N532L530-N532 PolarHBondContact O-N 2.63Å; L530-N532 VanDerWaalsContact O-N 3.08Å
531H28.9Very low29.7Very low176 Ų176143.6 Ų143.682%0.81583%0.825SS**  trans-81.974.8-179.8-164-64.2000111.9
532N31.6Very low29.6Very low151 Ų151137.8 Ų137.881%0.80783%0.827SS**  trans-161.187.9166.6-103.1-28.2000114L530L530-N532 PolarHBondContact O-N 2.63Å; L530-N532 VanDerWaalsContact O-N 3.08Å
533A30.9Very low29.7Very low106 Ų106137.5 Ų137.588%0.87683%0.833SS**  trans-15342.817200000113.4
534S32.1Very low29.9Very low112 Ų112140 Ų14078%0.78384%0.839SS**  trans-145.735.6-176.7-169.70000115.3
535L30.3Very low30.2Very low175 Ų175142.1 Ų142.192%0.91684%0.839SS**  trans-136.258.4172-79.2176.9000111.7
536A33.2Very low30.3Very low95 Ų95138.9 Ų138.979%0.78583%0.829SS**SBendtrans-150.233.5-178.900000114.6
537S33.3Very low30.4Very low120 Ų120141.7 Ų141.784%0.83983%0.833SS**SBendtrans-160.857175-80.20000113.9
538Q30.8Very low30.6Very low192 Ų192141 Ų14190%0.89783%0.827SS**  trans-166.296.7164-117.4168.457.500111.9
539Q30.1Very low30.7Very low190 Ų190139.5 Ų139.589%0.88883%0.83SS**  trans166.689.9148.9-97.2176.8-1.600110.9
540L30.4Very low30.9Very low181 Ų181141.4 Ų141.495%0.94883%0.833SS**  trans-148.588.6158.5-85.4-173.9000109.3
541S30.6Very low31.1Very low121 Ų121138.3 Ų138.385%0.84683%0.832SS**  trans-150.268171.163.30000111.2
542G28.7Very low31.2Very low75 Ų75135.2 Ų135.277%0.77383%0.83SS**  trans41.3123.2154.600000121.8
543T30Very low31.4Very low153 Ų153137.8 Ų137.894%0.93984%0.835SS**  trans-135149.8136.3-27.90000109.4
544L31.4Very low32.2Very low160 Ų160138.5 Ų138.584%0.83883%0.83SS**  trans-87.5154.3175.9-68.8144000111.2
545I32.4Very low32.2Very low166 Ų166144.5 Ų144.585%0.85184%0.835SS**  -179.6170.4126.2-92.3156.7000109.5
546S30.6Very low32.6Very low89 Ų89142.2 Ų142.262%0.62283%0.829SS**  trans-68175.4-174.661.50000113.4
547D30.3Very low32.9Very low148 Ų148145.8 Ų145.879%0.79183%0.829SS**  cis-153.6-173.932.4-120.7-56.9000115.4
548A30.8Very low33.4Very low85 Ų85152.3 Ų152.370%0.70285%0.846SS**  trans-35.2153.717700000116.5
549S31.9Very low33.5Very low119 Ų119150.4 Ų150.483%0.83284%0.843SS**  -167.9-175.756.150.70000115.2
550E32.6Very low33.7Very low190 Ų190148.3 Ų148.389%0.88884%0.841SS**  trans-77.6148.1-168.5-55.6157.4109.300114.9
551A33Very low33.9Very low100 Ų100146.4 Ų146.483%0.82684%0.835SS**  trans-161.1114.9145.700000112.7
552S30.9Very low34.1Very low112 Ų112147.9 Ų147.978%0.78383%0.834SS**  trans-51.5141.6174.951.30000117.3
553F35.8Very low34.4Very low205 Ų205152.5 Ų152.590%0.89984%0.838SS**  trans-69.3152.5147.7-78.2-89.9000110.8
554P46.7Very low34.7Very low121 Ų121152.5 Ų152.579%0.78683%0.832SS**  trans-129.7173.7134.237.7-29.6000114
555R32.4Very low35Very low237 Ų237151.9 Ų151.989%0.89483%0.831SS**  trans-74151.3-173.6-73.1171.9163.5169.2-8.2114.6
556V39.7Very low35.2Very low128 Ų128150.8 Ų150.878%0.77683%0.83SS**  -6.7127.7129.8-172.10000116
557E39Very low35.5Very low170 Ų170156 Ų15679%0.79485%0.847SS**  -176.7100.4123.3-103.8171.7-150.700111.8
558H43.3Very low36Very low257 Ų257156.7 Ų156.7100%1.1985%0.852SS**  178.20122.2-98.7-60.3000112.5

Retrieved 558 of 558 residues in 901.3 ms (Link to these results)

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