X2JG90_DROME Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession X2JG90, Species DROME (Drosophila melanogaster, Fruit fly), Gene Pp4-19C, Length 307 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
1M43.3Very low81.3Confident224 Ų22479.9 Ų79.9100%1.10341%0.408SS*.  0-28.30-81178.216900112.8
2S60.3Low82.7Confident78 Ų7880.9 Ų80.955%0.54541%0.41SS..Hα-helixtrans-67.2-42.1175.252.20000114.2Y4 S5 D6S2-Y4 PolarHBondContact O-N 3.14Å; S2-S5 WeakPolarHBondContact O-CB 3.46Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 VanDerWaalsContact O-N 3.16Å; S2-D6 PolarHBondContact O-N 2.81Å; S2-D6 VanDerWaalsContact O-N 3.14Å
3D64.3Low83.9Confident83 Ų8377.2 Ų77.244%0.44439%0.39SS..Hα-helixtrans-65.2-35.8-169.6-87.441.3000115.4L7 K31D3-L7 PolarHBondContact O-N 3.37Å; D3-K31 IonicContact OD2-NZ 3.94Å; D3-K31 PolarHBondContact OD2-NZ 2.84Å
4Y71.8Confident84.9Confident146 Ų14671.7 Ų71.757%0.57336%0.362SS*.Hα-helixtrans-74.6-34.4176-75.3-73.5000111.6S2 D6 L7 D8S2-Y4 PolarHBondContact O-N 3.14Å; Y4-D6 VanDerWaalsContact C-N 3.27Å; Y4-D6 PolarHBondContact O-N 3.29Å; Y4-L7 PolarHBondContact O-N 3.16Å; Y4-D8 WeakPolarHBondContact O-CB 3.39Å; Y4-D8 VanDerWaalsContact O-CG 3.26Å; Y4-D8 PolarHBondContact O-N 2.9Å
5S76.9Confident85.7Confident78 Ų7871.1 Ų71.155%0.54536%0.356SS..Hα-helixtrans-62.5-35.4174.8-174.10000112S2 R9S2-S5 WeakPolarHBondContact O-CB 3.46Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 VanDerWaalsContact O-N 3.16Å; S5-R9 WeakPolarHBondContact O-CB 3.36Å; S5-R9 PolarHBondContact O-N 3.36Å
6D90.1Very high86.4Confident79 Ų7974.9 Ų74.942%0.42237%0.365SS..Hα-helixtrans-73.5-39.3176.1-79-35000112.4S2 Y4 R9 Q10S2-D6 PolarHBondContact O-N 2.81Å; S2-D6 VanDerWaalsContact O-N 3.14Å; Y4-D6 VanDerWaalsContact C-N 3.27Å; Y4-D6 PolarHBondContact O-N 3.29Å; D6-R9 PolarHBondContact O-N 2.92Å; D6-Q10 VanDerWaalsContact O-CG 3.26Å; D6-Q10 WeakPolarHBondContact O-CG 3.5Å; D6-Q10 PolarHBondContact O-N 3.13Å
7L95.9Very high87Confident8 Ų871.6 Ų71.64%0.04235%0.351CS..Hα-helixtrans-67.5-43.2177.8-175.559.6000112D3 Y4 R9 Q10 I11 L28 A99 V102 R103D3-L7 PolarHBondContact O-N 3.37Å; Y4-L7 PolarHBondContact O-N 3.16Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.38Å; L7-Q10 WeakPolarHBondContact O-CB 3.23Å; L7-Q10 PolarHBondContact O-N 2.99Å; L7-Q10 VanDerWaalsContact O-N 3.13Å; L7-I11 HydrophobicContact CG-CD1 4.23Å; L7-I11 WeakPolarHBondContact O-CG1 3.26Å; L7-I11 PolarHBondContact O-N 2.77Å; L7-L28 HydrophobicContact CD1-CD1 3.99Å; L7-A99 HydrophobicContact CD1-CB 4.15Å; L7-V102 HydrophobicContact CD2-CB 4.26Å; L7-V102 HydrophobicContact CD2-CG1 3.73Å; L7-R103 HydrophobicContact CD2-CB 3.73Å; L7-R103 HydrophobicContact CD2-CG 4.39Å; L7-R103 HydrophobicContact CG-CB 4.28Å
8D97.1Very high87.6Confident60 Ų6072.4 Ų72.432%0.32135%0.354SS..Hα-helixtrans-61.8-40.4176.7-68.3-23.8000110.7Y4 Q10 I11 E12 R103Y4-D8 WeakPolarHBondContact O-CB 3.39Å; Y4-D8 VanDerWaalsContact O-CG 3.26Å; Y4-D8 PolarHBondContact O-N 2.9Å; D8-Q10 PolarHBondContact O-N 3.49Å; D8-I11 PolarHBondContact O-N 3.41Å; D8-E12 WeakPolarHBondContact O-CG 3.44Å; D8-E12 PolarHBondContact O-N 2.89Å; D8-R103 WeakPolarHBondContact OD1-CD 3.38Å; D8-R103 IonicContact OD1-CZ 3.83Å; D8-R103 IonicContact OD1-NE 2.97Å; D8-R103 PolarHBondContact OD1-NE 3.23Å; D8-R103 IonicContact OD1-NH2 3.98Å; D8-R103 IonicContact OD2-NE 2.71Å
9R97.8Very high88.1Confident98 Ų9871.8 Ų71.837%0.3735%0.352SS..Hα-helixtrans-61.5-43.3172.5-177.4-164.561.279.11.7112.1S5 D6 L7 E12 Q13 E24S5-R9 WeakPolarHBondContact O-CB 3.36Å; S5-R9 PolarHBondContact O-N 3.36Å; D6-R9 PolarHBondContact O-N 2.92Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.38Å; R9-E12 PolarHBondContact O-N 2.64Å; R9-Q13 WeakPolarHBondContact O-CB 3.03Å; R9-Q13 PolarHBondContact O-N 3.15Å; R9-E24 IonicContact CZ-OE1 3.03Å; R9-E24 IonicContact NH1-OE1 3.63Å; R9-E24 IonicContact NH2-OE1 3.74Å; R9-E24 PolarHBondContact NH2-OE1 3.26Å; R9-E24 IonicContact NH2-OE2 2.81Å
10Q98.2Very high88.6Confident18 Ų1868.3 Ų68.38%0.08433%0.334CS..Hα-helixtrans-62.6-42.6177.5-73.5167.911.300111.4D6 L7 D8 Q13 L14 I20D6-Q10 VanDerWaalsContact O-CG 3.26Å; D6-Q10 WeakPolarHBondContact O-CG 3.5Å; D6-Q10 PolarHBondContact O-N 3.13Å; L7-Q10 WeakPolarHBondContact O-CB 3.23Å; L7-Q10 PolarHBondContact O-N 2.99Å; L7-Q10 VanDerWaalsContact O-N 3.13Å; D8-Q10 PolarHBondContact O-N 3.49Å; Q10-Q13 PolarHBondContact O-N 3.48Å; Q10-L14 WeakPolarHBondContact O-CB 3.48Å; Q10-L14 VanDerWaalsContact O-CG 3.3Å; Q10-L14 WeakPolarHBondContact O-CG 3.37Å; Q10-L14 PolarHBondContact O-N 3.31Å; Q10-I20 HydrophobicContact CB-CG2 4.04Å; Q10-I20 HydrophobicContact CG-CG2 4Å
11I98.4Very high89Confident7 Ų771.5 Ų71.54%0.03635%0.347CS..Hα-helixtrans-59.6-49.7175.2-70.4166.1000110.3L7 D8 Q13 L14 K15 L96 A99 L100 R103L7-I11 HydrophobicContact CG-CD1 4.23Å; L7-I11 WeakPolarHBondContact O-CG1 3.26Å; L7-I11 PolarHBondContact O-N 2.77Å; D8-I11 PolarHBondContact O-N 3.41Å; I11-Q13 VanDerWaalsContact C-N 3.29Å; I11-Q13 PolarHBondContact O-N 2.94Å; I11-L14 PolarHBondContact O-N 3.41Å; I11-K15 HydrophobicContact CG2-CD 4.25Å; I11-K15 HydrophobicContact CG2-CG 4.4Å; I11-K15 WeakPolarHBondContact O-CB 3.4Å; I11-K15 WeakPolarHBondContact O-CG 3.44Å; I11-K15 PolarHBondContact O-N 3.46Å; I11-L96 HydrophobicContact CG2-CD1 4.26Å; I11-A99 HydrophobicContact CD1-CB 4.42Å; I11-A99 HydrophobicContact CG1-CB 3.66Å; I11-L100 HydrophobicContact CD1-CD2 4.4Å; I11-L100 HydrophobicContact CG2-CD2 4.2Å; I11-R103 HydrophobicContact CD1-CB 3.66Å; I11-R103 HydrophobicContact CD1-CG 3.8Å
12E98.1Very high91.7Very high92 Ų9264.2 Ų64.243%0.4331%0.31SS..Hα-helixtrans-63.7-35.1179.5-71.4-55.3124.900112.6D8 R9 K15 R16D8-E12 WeakPolarHBondContact O-CG 3.44Å; D8-E12 PolarHBondContact O-N 2.89Å; R9-E12 PolarHBondContact O-N 2.64Å; E12-K15 IonicContact OE1-NZ 2.77Å; E12-K15 PolarHBondContact OE1-NZ 3.01Å; E12-R16 PolarHBondContact O-N 2.94Å; E12-R16 PolarHBondContact O-NH1 3.23Å
13Q98.2Very high93.4Very high33 Ų3365.7 Ų65.715%0.15431%0.312CS..Hα-helixtrans-64.3-48.8172.2-177.1172.1-18.100111.7R9 Q10 I11 K15 R16 E18 I19 I20R9-Q13 WeakPolarHBondContact O-CB 3.03Å; R9-Q13 PolarHBondContact O-N 3.15Å; Q10-Q13 PolarHBondContact O-N 3.48Å; I11-Q13 VanDerWaalsContact C-N 3.29Å; I11-Q13 PolarHBondContact O-N 2.94Å; Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 3Å; Q13-R16 WeakPolarHBondContact O-CB 3.49Å; Q13-R16 PolarHBondContact O-N 3.44Å; Q13-R16 VanDerWaalsContact O-N 3.08Å; Q13-E18 HydrophobicContact CG-CB 3.64Å; Q13-E18 WeakPolarHBondContact O-CB 3.36Å; Q13-E18 PolarHBondContact O-N 3.36Å; Q13-I19 PolarHBondContact NE2-O 2.82Å; Q13-I20 HydrophobicContact CB-CG2 4.48Å; Q13-I20 HydrophobicContact CG-CG2 4.31Å
14L98.3Very high95.1Very high0 Ų062.9 Ų62.90%030%0.296CS..Hα-helixtrans-62.9-38.5177.8-71.8163.3000111.9Q10 I11 R16 C17 I20 F59 L95 L96 A99Q10-L14 WeakPolarHBondContact O-CB 3.48Å; Q10-L14 VanDerWaalsContact O-CG 3.3Å; Q10-L14 WeakPolarHBondContact O-CG 3.37Å; Q10-L14 PolarHBondContact O-N 3.31Å; I11-L14 PolarHBondContact O-N 3.41Å; L14-R16 PolarHBondContact O-N 2.85Å; L14-R16 VanDerWaalsContact O-N 3.16Å; L14-C17 WeakPolarHBondContact O-CA 3.4Å; L14-C17 PolarHBondContact O-N 3.05Å; L14-I20 HydrophobicContact CD1-CD1 4.47Å; L14-I20 HydrophobicContact CD1-CG2 4.36Å; L14-I20 HydrophobicContact CD2-CG2 4.37Å; L14-I20 HydrophobicContact CG-CG2 4.05Å; L14-F59 WeakPolarHBondContact O-CE2 3.18Å; L14-F59 WeakPolarHBondContact O-CZ 3.4Å; L14-L95 HydrophobicContact CD1-CB 3.99Å; L14-L95 HydrophobicContact CD2-CB 3.88Å; L14-L96 HydrophobicContact CB-CB 4.16Å; L14-L96 HydrophobicContact CB-CD1 4.08Å; L14-A99 HydrophobicContact CD1-CB 4.18Å
15K97.3Very high96.4Very high62 Ų6256 Ų5627%0.2727%0.269SS..Hα-helixtrans-59.3-24.1174.2-78.6-176.4176.9-178.70113.8I11 E12 Q13 C17 K63 L96I11-K15 HydrophobicContact CG2-CD 4.25Å; I11-K15 HydrophobicContact CG2-CG 4.4Å; I11-K15 WeakPolarHBondContact O-CB 3.4Å; I11-K15 WeakPolarHBondContact O-CG 3.44Å; I11-K15 PolarHBondContact O-N 3.46Å; E12-K15 IonicContact OE1-NZ 2.77Å; E12-K15 PolarHBondContact OE1-NZ 3.01Å; Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 3Å; K15-C17 VanDerWaalsContact C-N 3.28Å; K15-K63 PolarHBondContact O-NZ 3.36Å; K15-L96 HydrophobicContact CG-CD1 3.95Å; K15-L96 HydrophobicContact CG-CD2 4.43Å
16R96.7Very high97.4Very high133 Ų13357.8 Ų57.850%0.50227%0.267SS..THydrogen-bonded Turntrans-86.77.1172-64.7-170.5-56-84.5-1.8113.6E12 Q13 L14 E18E12-R16 PolarHBondContact O-N 2.94Å; E12-R16 PolarHBondContact O-NH1 3.23Å; Q13-R16 WeakPolarHBondContact O-CB 3.49Å; Q13-R16 PolarHBondContact O-N 3.44Å; Q13-R16 VanDerWaalsContact O-N 3.08Å; L14-R16 PolarHBondContact O-N 2.85Å; L14-R16 VanDerWaalsContact O-N 3.16Å; R16-E18 HydrophobicContact CB-CG 4.1Å; R16-E18 IonicContact CZ-OE2 2.88Å; R16-E18 IonicContact NE-OE1 3.89Å; R16-E18 PolarHBondContact NE-OE1 3.34Å; R16-E18 IonicContact NE-OE2 2.94Å; R16-E18 PolarHBondContact NE-OE2 2.94Å; R16-E18 IonicContact NH2-OE2 3.58Å; R16-E18 PolarHBondContact NH2-OE2 3.11Å; R16-E18 PolarHBondContact O-N 3.1Å
17C96.8Very high97.8Very high19 Ų1956.4 Ų56.413%0.12827%0.266CS..THydrogen-bonded Turntrans6230.8-173.6-1600000112.7L14 K15 F59 Y89L14-C17 WeakPolarHBondContact O-CA 3.4Å; L14-C17 PolarHBondContact O-N 3.05Å; K15-C17 VanDerWaalsContact C-N 3.28Å; C17-F59 HydrophobicContact CB-CD1 3.68Å; C17-F59 HydrophobicContact CB-CE1 3.44Å; C17-F59 VanDerWaalsContact CB-CE1 3.44Å; C17-F59 HydrophobicContact CB-CZ 4.2Å; C17-F59 VanDerWaalsContact SG-CD1 3.57Å; C17-Y89 WeakPolarHBondContact SG-CD1 3.09Å
18E96.9Very high97.9Very high86 Ų8656.1 Ų56.140%0.40227%0.265SS..PPolyproline II helixtrans-102.7126.9178-65162.8-165.300109.5Q13 R16Q13-E18 HydrophobicContact CG-CB 3.64Å; Q13-E18 WeakPolarHBondContact O-CB 3.36Å; Q13-E18 PolarHBondContact O-N 3.36Å; R16-E18 HydrophobicContact CB-CG 4.1Å; R16-E18 IonicContact CZ-OE2 2.88Å; R16-E18 IonicContact NE-OE1 3.89Å; R16-E18 PolarHBondContact NE-OE1 3.34Å; R16-E18 IonicContact NE-OE2 2.94Å; R16-E18 PolarHBondContact NE-OE2 2.94Å; R16-E18 IonicContact NH2-OE2 3.58Å; R16-E18 PolarHBondContact NH2-OE2 3.11Å; R16-E18 PolarHBondContact O-N 3.1Å
19I96.8Very high98Very high60 Ų6053.7 Ų53.731%0.30825%0.252SS..PPolyproline II helixtrans-64.8141.6176.361.4174.8000111.4Q13 V91 E92 K133 Y134Q13-I19 PolarHBondContact NE2-O 2.82Å; I19-V91 HydrophobicContact CG2-CG1 4.06Å; I19-E92 HydrophobicContact CG2-CG 4.25Å; I19-E92 WeakPolarHBondContact CG2-OE1 3.36Å; I19-K133 HydrophobicContact CD1-CB 4.33Å; I19-K133 HydrophobicContact CG2-CD 4.02Å; I19-Y134 HydrophobicContact CD1-CE1 4.45Å
20I98.3Very high98Very high2 Ų250.6 Ų50.61%0.0125%0.248CC..PPolyproline II helixtrans-84166.6167.958.4168.9000110.1Q10 Q13 L14 E24 V25 L28 L95 Y134Q10-I20 HydrophobicContact CB-CG2 4.04Å; Q10-I20 HydrophobicContact CG-CG2 4Å; Q13-I20 HydrophobicContact CB-CG2 4.48Å; Q13-I20 HydrophobicContact CG-CG2 4.31Å; L14-I20 HydrophobicContact CD1-CD1 4.47Å; L14-I20 HydrophobicContact CD1-CG2 4.36Å; L14-I20 HydrophobicContact CD2-CG2 4.37Å; L14-I20 HydrophobicContact CG-CG2 4.05Å; I20-E24 HydrophobicContact CB-CB 4.22Å; I20-E24 WeakPolarHBondContact CB-OE2 3.48Å; I20-E24 HydrophobicContact CD1-CB 4.09Å; I20-E24 HydrophobicContact CG1-CB 4.43Å; I20-V25 HydrophobicContact CD1-CG2 3.93Å; I20-V25 HydrophobicContact CG1-CG2 3.71Å; I20-L28 HydrophobicContact CD1-CD2 4.29Å; I20-L95 HydrophobicContact CD1-CD1 4.49Å; I20-L95 HydrophobicContact CG1-CD1 4.18Å; I20-Y134 VanDerWaalsContact O-CE1 3.25Å; I20-Y134 WeakPolarHBondContact O-CE1 3.12Å; I20-Y134 PolarHBondContact O-OH 3.08Å
21K98.2Very high98Very high136 Ų13652.8 Ų52.859%0.59126%0.257SS*.PPolyproline II helixtrans-72.7153.9-176.9-61.5173.8-177.7171.20111.7N23 E24 V25K21-N23 VanDerWaalsContact C-N 3.27Å; K21-N23 WeakPolarHBondContact CB-OD1 3.22Å; K21-N23 PolarHBondContact O-N 2.81Å; K21-E24 HydrophobicContact CB-CB 4.46Å; K21-E24 HydrophobicContact CB-CG 4.08Å; K21-E24 WeakPolarHBondContact CB-OE2 3.31Å; K21-E24 PolarHBondContact N-OE2 2.85Å; K21-E24 WeakPolarHBondContact O-CA 3.21Å; K21-E24 VanDerWaalsContact O-CB 3.31Å; K21-E24 WeakPolarHBondContact O-CB 3.47Å; K21-E24 PolarHBondContact O-N 2.91Å; K21-V25 PolarHBondContact O-N 3.27Å
22E98.6Very high98.1Very high70 Ų7052.4 Ų52.433%0.32726%0.255SS..Hα-helixtrans-53.3-41179.8-176.1-176.4124.400113.1E24 V25 K26 Y134 S136 A138 V139 Y142E22-E24 VanDerWaalsContact C-N 3.31Å; E22-E24 PolarHBondContact O-N 3.27Å; E22-V25 WeakPolarHBondContact O-CB 3.13Å; E22-V25 PolarHBondContact O-N 3.46Å; E22-K26 PolarHBondContact O-N 3.47Å; E22-Y134 HydrophobicContact CB-CD1 4.22Å; E22-S136 PolarHBondContact OE2-OG 3.41Å; E22-A138 HydrophobicContact CG-CB 4.32Å; E22-A138 WeakPolarHBondContact OE1-CB 3.21Å; E22-V139 HydrophobicContact CB-CG2 4.4Å; E22-V139 HydrophobicContact CG-CG2 3.98Å; E22-Y142 HydrophobicContact CG-CE2 4.1Å
23N98.1Very high98.1Very high109 Ų10952.8 Ų52.858%0.58325%0.253SS*.Hα-helixtrans-68.2-30.9177.365.2-45.4000112.8K21 A27K21-N23 VanDerWaalsContact C-N 3.27Å; K21-N23 WeakPolarHBondContact CB-OD1 3.22Å; K21-N23 PolarHBondContact O-N 2.81Å; N23-A27 WeakPolarHBondContact O-CB 3.38Å; N23-A27 PolarHBondContact O-N 3.48Å; N23-A27 VanDerWaalsContact O-N 3.1Å
24E98.4Very high98.1Very high25 Ų2557.5 Ų57.512%0.11727%0.274CS..Hα-helixtrans-71.4-41.7174-63.4172.3151.300110.4R9 I20 K21 E22 K26 A27 L28R9-E24 IonicContact CZ-OE1 3.03Å; R9-E24 IonicContact NH1-OE1 3.63Å; R9-E24 IonicContact NH2-OE1 3.74Å; R9-E24 PolarHBondContact NH2-OE1 3.26Å; R9-E24 IonicContact NH2-OE2 2.81Å; I20-E24 HydrophobicContact CB-CB 4.22Å; I20-E24 WeakPolarHBondContact CB-OE2 3.48Å; I20-E24 HydrophobicContact CD1-CB 4.09Å; I20-E24 HydrophobicContact CG1-CB 4.43Å; K21-E24 HydrophobicContact CB-CB 4.46Å; K21-E24 HydrophobicContact CB-CG 4.08Å; K21-E24 WeakPolarHBondContact CB-OE2 3.31Å; K21-E24 PolarHBondContact N-OE2 2.85Å; K21-E24 WeakPolarHBondContact O-CA 3.21Å; K21-E24 VanDerWaalsContact O-CB 3.31Å; K21-E24 WeakPolarHBondContact O-CB 3.47Å; K21-E24 PolarHBondContact O-N 2.91Å; E22-E24 VanDerWaalsContact C-N 3.31Å; E22-E24 PolarHBondContact O-N 3.27Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.91Å; E24-A27 PolarHBondContact O-N 3.36Å; E24-L28 WeakPolarHBondContact O-CB 3.4Å; E24-L28 PolarHBondContact O-N 2.83Å
25V98.8Very high98.1Very high0 Ų059.5 Ų59.50%029%0.285CS..Hα-helixtrans-58-47.3172.3178.20000111I20 K21 E22 A27 L28 C29 L95 Y134 V139 Y142I20-V25 HydrophobicContact CD1-CG2 3.93Å; I20-V25 HydrophobicContact CG1-CG2 3.71Å; K21-V25 PolarHBondContact O-N 3.27Å; E22-V25 WeakPolarHBondContact O-CB 3.13Å; E22-V25 PolarHBondContact O-N 3.46Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 2.9Å; V25-L28 PolarHBondContact O-N 3.24Å; V25-C29 WeakPolarHBondContact O-CB 3.43Å; V25-C29 PolarHBondContact O-N 2.89Å; V25-C29 PolarHBondContact O-SG 3.43Å; V25-L95 HydrophobicContact CG1-CD2 3.85Å; V25-L95 HydrophobicContact CG2-CD1 3.77Å; V25-L95 HydrophobicContact CG2-CD2 4.37Å; V25-Y134 HydrophobicContact CG2-CE1 4.29Å; V25-V139 HydrophobicContact CB-CG2 4.29Å; V25-V139 HydrophobicContact CG1-CG1 4.06Å; V25-V139 HydrophobicContact CG1-CG2 4.21Å; V25-V139 HydrophobicContact CG2-CG2 4.25Å; V25-Y142 HydrophobicContact CG1-CD2 4.36Å
26K98.6Very high98.1Very high117 Ų11756.5 Ų56.551%0.50927%0.272SS..Hα-helixtrans-57.8-45.9177.9-174.3-179.7-176.6170.90111.8E22 E24 A30 Y142E22-K26 PolarHBondContact O-N 3.47Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.91Å; K26-A30 PolarHBondContact O-N 2.92Å; K26-Y142 HydrophobicContact CB-CD2 3.99Å; K26-Y142 HydrophobicContact CB-CE2 3.72Å; K26-Y142 HydrophobicContact CD-CE1 4.23Å; K26-Y142 HydrophobicContact CD-CE2 4.36Å; K26-Y142 HydrophobicContact CG-CD1 4.46Å; K26-Y142 HydrophobicContact CG-CD2 4.47Å; K26-Y142 HydrophobicContact CG-CE1 4.06Å; K26-Y142 HydrophobicContact CG-CE2 4.09Å
27A98.4Very high98.1Very high49 Ų4952.7 Ų52.741%0.40526%0.263SS..Hα-helixtrans-66.6-40.5178.600000112.1N23 E24 V25 A30 K31N23-A27 WeakPolarHBondContact O-CB 3.38Å; N23-A27 PolarHBondContact O-N 3.48Å; N23-A27 VanDerWaalsContact O-N 3.1Å; E24-A27 PolarHBondContact O-N 3.36Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 2.9Å; A27-A30 PolarHBondContact O-N 3.1Å; A27-K31 PolarHBondContact O-N 2.83Å; A27-K31 VanDerWaalsContact O-N 3.1Å
28L98.7Very high98.2Very high3 Ų359.6 Ų59.62%0.01629%0.293CS..Hα-helixtrans-61.4-47.2175.8175.662.8000111.3L7 I20 E24 V25 A30 K31 A32 L95 L98 A99 V102L7-L28 HydrophobicContact CD1-CD1 3.99Å; I20-L28 HydrophobicContact CD1-CD2 4.29Å; E24-L28 WeakPolarHBondContact O-CB 3.4Å; E24-L28 PolarHBondContact O-N 2.83Å; V25-L28 PolarHBondContact O-N 3.24Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 2.8Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-A32 WeakPolarHBondContact O-CB 3.3Å; L28-A32 PolarHBondContact O-N 3.21Å; L28-L95 HydrophobicContact CD2-CD2 4.21Å; L28-L98 HydrophobicContact CD2-CB 4.43Å; L28-L98 HydrophobicContact CD2-CD2 4.3Å; L28-L98 HydrophobicContact CD2-CG 4.49Å; L28-L98 HydrophobicContact CG-CD2 4.14Å; L28-L98 HydrophobicContact CG-CG 4.33Å; L28-A99 HydrophobicContact CD1-CB 4.16Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L28-V102 HydrophobicContact CD1-CB 4.04Å; L28-V102 HydrophobicContact CD1-CG1 4.47Å; L28-V102 HydrophobicContact CD1-CG2 3.74Å
29C98.8Very high98.2Very high8 Ų856.6 Ų56.65%0.05428%0.279CS..Hα-helixtrans-60.5-43.4176.6-66.50000111.2V25 K31 A32 R33 I146V25-C29 WeakPolarHBondContact O-CB 3.43Å; V25-C29 PolarHBondContact O-N 2.89Å; V25-C29 PolarHBondContact O-SG 3.43Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 2.97Å; C29-A32 PolarHBondContact O-N 2.87Å; C29-R33 PolarHBondContact O-N 2.84Å; C29-I146 HydrophobicContact CB-CD1 3.9Å; C29-I146 HydrophobicContact CB-CG1 3.63Å; C29-I146 WeakPolarHBondContact O-CD1 3.32Å
30A98.5Very high98.3Very high33 Ų3355.6 Ų55.627%0.27328%0.284SS..Hα-helixtrans-57.5-45.7176.900000112.3K26 A27 L28 R33 E34K26-A30 PolarHBondContact O-N 2.92Å; A27-A30 PolarHBondContact O-N 3.1Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 2.8Å; A30-R33 PolarHBondContact O-N 2.74Å; A30-E34 PolarHBondContact O-N 2.83Å
31K98.4Very high98.3Very high64 Ų6455.9 Ų55.928%0.27829%0.286SS..Hα-helixtrans-65.7-41175.9-69.4-177176.1-1720112.5D3 A27 L28 C29 R33 E34 I35 V102D3-K31 IonicContact OD2-NZ 3.94Å; D3-K31 PolarHBondContact OD2-NZ 2.84Å; A27-K31 PolarHBondContact O-N 2.83Å; A27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 2.93Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 2.97Å; K31-R33 VanDerWaalsContact C-N 3.31Å; K31-R33 PolarHBondContact O-N 2.84Å; K31-E34 WeakPolarHBondContact O-CB 3.5Å; K31-E34 PolarHBondContact O-N 2.82Å; K31-I35 PolarHBondContact O-N 3.08Å; K31-V102 HydrophobicContact CB-CG1 3.79Å; K31-V102 HydrophobicContact CB-CG2 4.27Å; K31-V102 HydrophobicContact CD-CG1 4.23Å
32A98.7Very high98.3Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-62.7-39.3176.900000112L28 C29 E34 I35 L36 L98 V102 I146L28-A32 WeakPolarHBondContact O-CB 3.3Å; L28-A32 PolarHBondContact O-N 3.21Å; C29-A32 PolarHBondContact O-N 2.87Å; A32-E34 VanDerWaalsContact C-N 3.32Å; A32-E34 PolarHBondContact O-N 3.16Å; A32-I35 PolarHBondContact O-N 3.05Å; A32-I35 VanDerWaalsContact O-N 3.14Å; A32-L36 HydrophobicContact CB-CD1 4.39Å; A32-L36 WeakPolarHBondContact O-CB 3.44Å; A32-L36 VanDerWaalsContact O-CG 3.28Å; A32-L36 WeakPolarHBondContact O-CG 3.4Å; A32-L36 PolarHBondContact O-N 3.48Å; A32-L98 HydrophobicContact CB-CD1 3.46Å; A32-L98 VanDerWaalsContact CB-CD1 3.46Å; A32-L98 HydrophobicContact CB-CD2 4.09Å; A32-L98 HydrophobicContact CB-CG 3.81Å; A32-V102 HydrophobicContact CB-CG2 3.68Å; A32-I146 HydrophobicContact CB-CD1 4.39Å
33R98.5Very high98.3Very high100 Ų10048 Ų4838%0.37725%0.251SS..Hα-helixtrans-61.3-39.7176.1-173.3178.863-147.8-2.1112.3C29 A30 K31 I35 V37 I146 Y149C29-R33 PolarHBondContact O-N 2.84Å; A30-R33 PolarHBondContact O-N 2.74Å; K31-R33 VanDerWaalsContact C-N 3.31Å; K31-R33 PolarHBondContact O-N 2.84Å; R33-I35 PolarHBondContact O-N 3.41Å; R33-V37 VanDerWaalsContact O-CB 3.29Å; R33-V37 WeakPolarHBondContact O-CB 3.34Å; R33-V37 WeakPolarHBondContact O-CG1 3.43Å; R33-V37 PolarHBondContact O-N 2.85Å; R33-I146 HydrophobicContact CB-CD1 3.85Å; R33-Y149 HydrophobicContact CG-CD1 3.98Å; R33-Y149 HydrophobicContact CG-CD2 4.25Å; R33-Y149 HydrophobicContact CG-CE1 3.67Å; R33-Y149 HydrophobicContact CG-CE2 3.99Å; R33-Y149 HydrophobicContact CG-CG 4.27Å
34E97.9Very high98.3Very high131 Ų13152.2 Ų52.261%0.61226%0.259SS*.Hα-helixtrans-61-30.9176-69.1169-172.900112.4A30 K31 A32 V37A30-E34 PolarHBondContact O-N 2.83Å; K31-E34 WeakPolarHBondContact O-CB 3.5Å; K31-E34 PolarHBondContact O-N 2.82Å; A32-E34 VanDerWaalsContact C-N 3.32Å; A32-E34 PolarHBondContact O-N 3.16Å; E34-V37 WeakPolarHBondContact O-CG1 3.17Å
35I98.3Very high98.3Very high42 Ų4251.6 Ų51.622%0.21526%0.257CS..Hα-helixtrans-83.5-52.4177.5-64.4164.7000110.6K31 A32 R33 V37 E38 V102 P105K31-I35 PolarHBondContact O-N 3.08Å; A32-I35 PolarHBondContact O-N 3.05Å; A32-I35 VanDerWaalsContact O-N 3.14Å; R33-I35 PolarHBondContact O-N 3.41Å; I35-V37 PolarHBondContact O-N 3.21Å; I35-E38 PolarHBondContact O-N 2.92Å; I35-V102 HydrophobicContact CD1-CB 4.3Å; I35-V102 HydrophobicContact CD1-CG1 4.32Å; I35-V102 HydrophobicContact CD1-CG2 4.23Å; I35-P105 HydrophobicContact CD1-CB 4.42Å; I35-P105 HydrophobicContact CG2-CB 4Å
36L98.3Very high98.3Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-69.3-18.2-173.1-63.6169.1000113A32 E38 E39 I146 L150 R182A32-L36 HydrophobicContact CB-CD1 4.39Å; A32-L36 WeakPolarHBondContact O-CB 3.44Å; A32-L36 VanDerWaalsContact O-CG 3.28Å; A32-L36 WeakPolarHBondContact O-CG 3.4Å; A32-L36 PolarHBondContact O-N 3.48Å; L36-E38 VanDerWaalsContact C-N 3.33Å; L36-E39 WeakPolarHBondContact O-CB 3.27Å; L36-E39 PolarHBondContact O-N 3.06Å; L36-I146 HydrophobicContact CD1-CG2 3.77Å; L36-L150 HydrophobicContact CD1-CD2 4.17Å; L36-L150 HydrophobicContact CD2-CD2 4.44Å; L36-R182 PolarHBondContact O-NH2 3.03Å
37V97.3Very high98.2Very high52 Ų5252.9 Ų52.932%0.31527%0.271SS..THydrogen-bonded Turntrans-70.8-29.6175.174.70000112.8R33 E34 I35 E39 Y149R33-V37 VanDerWaalsContact O-CB 3.29Å; R33-V37 WeakPolarHBondContact O-CB 3.34Å; R33-V37 WeakPolarHBondContact O-CG1 3.43Å; R33-V37 PolarHBondContact O-N 2.85Å; E34-V37 WeakPolarHBondContact O-CG1 3.17Å; I35-V37 PolarHBondContact O-N 3.21Å; V37-E39 VanDerWaalsContact C-N 3.31Å; V37-Y149 HydrophobicContact CB-CD1 4.14Å; V37-Y149 HydrophobicContact CB-CE1 4.25Å; V37-Y149 HydrophobicContact CG2-CD1 4.36Å; V37-Y149 HydrophobicContact CG2-CE1 4.12Å
38E97.2Very high98.2Very high164 Ų16453.2 Ų53.277%0.76627%0.27SS*.THydrogen-bonded Turntrans-82.1-14.9178.4-61.4-57.9132.800112.1I35 L36I35-E38 PolarHBondContact O-N 2.92Å; L36-E38 VanDerWaalsContact C-N 3.33Å
39E97.8Very high98.2Very high23 Ų2353.3 Ų53.311%0.10727%0.27CS..SBendtrans-74.8131.6175.7-85.7-172.5-153.100111.6L36 V37 K101 S151 R182L36-E39 WeakPolarHBondContact O-CB 3.27Å; L36-E39 PolarHBondContact O-N 3.06Å; V37-E39 VanDerWaalsContact C-N 3.31Å; E39-K101 WeakPolarHBondContact OE1-CE 3.38Å; E39-K101 IonicContact OE1-NZ 3.78Å; E39-K101 PolarHBondContact OE1-NZ 2.73Å; E39-S151 PolarHBondContact OE2-OG 2.7Å; E39-R182 PolarHBondContact O-NH1 3Å; E39-R182 PolarHBondContact O-NH2 2.97Å
40G97.8Very high98.2Very high39 Ų3953 Ų5340%0.40227%0.268SS..  trans-73.3169.416900000114.9V42 Q43 S151 R182G40-V42 PolarHBondContact O-N 3.18Å; G40-Q43 PolarHBondContact O-NE2 3.38Å; G40-S151 PolarHBondContact O-OG 2.79Å; G40-R182 VanDerWaalsContact C-NH1 3.34Å
41N98.7Very high98.3Very high9 Ų951.5 Ų51.55%0.04826%0.255CS..SBendtrans-70.7-21.6179.4-61.7-12.2000113.8L152 S153 I177 R178 I180 R182N41-L152 HydrophobicContact CB-CD1 4.42Å; N41-L152 HydrophobicContact CB-CG 4.49Å; N41-L152 PolarHBondContact O-N 2.64Å; N41-L152 VanDerWaalsContact O-N 3.16Å; N41-S153 PolarHBondContact O-N 2.85Å; N41-S153 PolarHBondContact O-OG 3.21Å; N41-S153 VanDerWaalsContact O-OG 3.08Å; N41-I177 HydrophobicContact CB-CG2 4.16Å; N41-I177 WeakPolarHBondContact CB-O 2.97Å; N41-I177 PolarHBondContact ND2-O 2.97Å; N41-R178 PolarHBondContact ND2-O 2.88Å; N41-I180 PolarHBondContact ND2-O 3.23Å; N41-R182 WeakPolarHBondContact OD1-CD 3.44Å; N41-R182 WeakPolarHBondContact OD1-CG 3.45Å; N41-R182 PolarHBondContact OD1-NH1 3.34Å
42V98.7Very high98.3Very high11 Ų1148.4 Ų48.47%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-118.795.3175.3-171.90000107.1G40 S153 I155 I177 R178G40-V42 PolarHBondContact O-N 3.18Å; V42-S153 WeakPolarHBondContact CA-O 3.5Å; V42-S153 WeakPolarHBondContact CG2-OG 3.44Å; V42-I155 HydrophobicContact CG1-CB 4.18Å; V42-I155 HydrophobicContact CG1-CG2 4.02Å; V42-I177 HydrophobicContact CG2-CB 3.68Å; V42-I177 HydrophobicContact CG2-CD1 4.48Å; V42-I177 HydrophobicContact CG2-CG2 3.66Å; V42-R178 HydrophobicContact CB-CG 4.2Å; V42-R178 HydrophobicContact CG2-CG 3.74Å
43Q98.4Very high98.3Very high29 Ų2948.4 Ų48.414%0.13624%0.242CC..EExtended strand (participates in β ladder)trans-71.1135.9-179.3-74.7-54.6-40.300112.1G40 T109 S151 S153 A154 I155G40-Q43 PolarHBondContact O-NE2 3.38Å; Q43-T109 HydrophobicContact CB-CG2 3.97Å; Q43-T109 HydrophobicContact CG-CG2 4.07Å; Q43-S151 VanDerWaalsContact CG-OG 3.22Å; Q43-S151 WeakPolarHBondContact CG-OG 3.3Å; Q43-S151 PolarHBondContact NE2-OG 2.94Å; Q43-S153 PolarHBondContact N-O 3.14Å; Q43-A154 HydrophobicContact CB-CB 4.05Å; Q43-A154 CarbonylContact O-C 3.48Å; Q43-A154 WeakPolarHBondContact O-CA 3.08Å; Q43-I155 PolarHBondContact O-N 2.9Å
44R98.3Very high98.3Very high197 Ų19743.7 Ų43.774%0.74322%0.224SC*.EExtended strand (participates in β ladder)trans-85131.3168.5-65.7-174-179.3-162.4-0.5108.4I155R44-I155 HydrophobicContact CG-CG2 4.12Å
45V98.5Very high98.3Very high12 Ų1237.6 Ų37.67%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-130.2129.4178.6178.20000107.2V49 L78 T109 A154 I155 I156 D157V45-V49 HydrophobicContact CG1-CB 4.15Å; V45-V49 HydrophobicContact CG1-CG1 4.2Å; V45-V49 HydrophobicContact CG1-CG2 3.9Å; V45-L78 HydrophobicContact CG2-CD1 4.43Å; V45-T109 HydrophobicContact CG2-CG2 4.12Å; V45-A154 HydrophobicContact CG2-CB 4.08Å; V45-I155 PolarHBondContact N-O 3.43Å; V45-I156 HydrophobicContact CB-CG1 4.16Å; V45-I156 HydrophobicContact CG1-CG1 4.35Å; V45-I156 VanDerWaalsContact O-CA 3.23Å; V45-I156 WeakPolarHBondContact O-CA 3.41Å; V45-D157 PolarHBondContact O-N 3.27Å
46D98.1Very high98.3Very high122 Ų12235.7 Ų35.765%0.65219%0.186SC*.PPolyproline II helixtrans-93.9143.9177.3-60.4-35.9000109.7D157D46-D157 WeakPolarHBondContact CA-OD1 3.23Å
47S97.5Very high98.3Very high22 Ų2235.7 Ų35.715%0.15419%0.186CC..SBendtrans-72.4154.2167.570.20000111.3D157 N276S47-D157 WeakPolarHBondContact CB-OD2 3.33Å; S47-D157 PolarHBondContact N-OD1 3.31Å; S47-D157 PolarHBondContact OG-OD2 3.4Å; S47-N276 VanDerWaalsContact CB-O 3.28Å; S47-N276 WeakPolarHBondContact CB-O 3.45Å; S47-N276 PolarHBondContact OG-O 3.3Å
48P98.4Very high98.3Very high57 Ų5733.4 Ų33.437%0.3717%0.172SC..SBendcis-75144.6132.9-34.7000112.2N76 L275 E277P48-N76 WeakPolarHBondContact O-CB 3.48Å; P48-N76 PolarHBondContact O-ND2 3.04Å; P48-L275 CarbonylContact C-O 3.48Å; P48-L275 WeakPolarHBondContact CA-O 3.49Å; P48-L275 WeakPolarHBondContact CB-O 3.4Å; P48-E277 HydrophobicContact CG-CG 4.34Å
49V98.8Very high98.4Very high4 Ų425.6 Ų25.62%0.02414%0.135CC..EExtended strand (participates in β ladder)trans-150.6142.9179.163.40000111.7V45 V51 N76 L78 I156 L275V45-V49 HydrophobicContact CG1-CB 4.15Å; V45-V49 HydrophobicContact CG1-CG1 4.2Å; V45-V49 HydrophobicContact CG1-CG2 3.9Å; V49-V51 HydrophobicContact CG1-CG2 4.39Å; V49-N76 HydrophobicContact CB-CB 4.41Å; V49-N76 HydrophobicContact CG2-CB 4.35Å; V49-L78 HydrophobicContact CG2-CB 4.05Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.37Å; V49-I156 HydrophobicContact CG1-CG2 3.83Å; V49-L275 HydrophobicContact CG1-CB 4.21Å; V49-L275 HydrophobicContact CG1-CD1 4.05Å; V49-L275 PolarHBondContact N-O 3.41Å; V49-L275 PolarHBondContact O-N 2.82Å
50T98.9Very high98.3Very high3 Ų326.3 Ų26.32%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-98.6119.5171.8-58.60000109.5N76 Y77 L78 I272 L273 E274T50-N76 PolarHBondContact N-O 3.01Å; T50-Y77 HydrophobicContact CG2-CD1 3.97Å; T50-Y77 HydrophobicContact CG2-CE1 3.44Å; T50-Y77 VanDerWaalsContact CG2-CE1 3.44Å; T50-Y77 CarbonylContact O-C 3.57Å; T50-Y77 WeakPolarHBondContact O-CA 3.28Å; T50-L78 PolarHBondContact O-N 3.44Å; T50-I272 HydrophobicContact CG2-CB 3.95Å; T50-I272 HydrophobicContact CG2-CD1 3.8Å; T50-I272 HydrophobicContact CG2-CG1 4.19Å; T50-L273 CarbonylContact C-O 3.44Å; T50-L273 WeakPolarHBondContact CA-O 2.87Å; T50-E274 HydrophobicContact CG2-CG 4.28Å
51V98.9Very high98.3Very high0 Ų024.6 Ų24.60%012%0.119CC..EExtended strand (participates in β ladder)trans-98.8129.2-178.9-172.90000110.1V49 L78 M80 I156 L273 L275V49-V51 HydrophobicContact CG1-CG2 4.39Å; V51-L78 CarbonylContact C-O 3.1Å; V51-L78 WeakPolarHBondContact CA-O 3.44Å; V51-L78 HydrophobicContact CG1-CD2 4.09Å; V51-L78 HydrophobicContact CG1-CG 4.49Å; V51-L78 HydrophobicContact CG2-CB 4.39Å; V51-L78 HydrophobicContact CG2-CD2 4.25Å; V51-M80 HydrophobicContact CG1-CE 3.76Å; V51-M80 HydrophobicContact CG1-CG 4.05Å; V51-M80 HydrophobicContact CG1-SD 3.77Å; V51-I156 HydrophobicContact CG2-CD1 3.6Å; V51-L273 HydrophobicContact CB-CB 4.2Å; V51-L273 HydrophobicContact CB-CD2 4.35Å; V51-L273 HydrophobicContact CG2-CD2 4.34Å; V51-L273 PolarHBondContact N-O 3.43Å; V51-L273 PolarHBondContact O-N 2.94Å; V51-L275 HydrophobicContact CG2-CD1 4.19Å
52C98.9Very high98.3Very high0 Ų024.2 Ų24.20%012%0.117CC..EExtended strand (participates in β ladder)trans-121141.4-177.4-53.50000110.7L65 Y77 L78 F79 M80 I272C52-L65 HydrophobicContact CB-CD1 4.26Å; C52-Y77 VanDerWaalsContact SG-CD1 3.57Å; C52-L78 PolarHBondContact N-O 3.23Å; C52-F79 HydrophobicContact CB-CD1 3.49Å; C52-F79 VanDerWaalsContact CB-CD1 3.49Å; C52-F79 HydrophobicContact CB-CE1 3.72Å; C52-F79 HydrophobicContact CB-CG 4.04Å; C52-F79 HydrophobicContact CB-CZ 4.45Å; C52-M80 WeakPolarHBondContact O-CB 3.08Å; C52-M80 WeakPolarHBondContact O-CG 3.33Å; C52-M80 PolarHBondContact O-N 2.81Å; C52-I272 HydrophobicContact CB-CG2 4.37Å
53G98.8Very high98.3Very high0 Ų028.2 Ų28.20%013%0.133CC..  trans-89-149.4170.600000112.4V256 S258G53-V256 WeakPolarHBondContact CA-O 3.23Å; G53-S258 PolarHBondContact N-OG 2.77Å
54D98.9Very high98.2Very high1 Ų128.7 Ų28.71%0.00514%0.136CC..  trans-60.6143.4-176-56.131.4000112.5H56 D82 H164 A237 H238 W257 S258 A259D54-H56 IonicContact OD2-NE2 3.18Å; D54-D82 HydrophobicContact CB-CB 4.02Å; D54-H164 IonicContact OD1-CE1 3.12Å; D54-H164 IonicContact OD2-CE1 2.64Å; D54-A237 WeakPolarHBondContact OD1-CB 3.31Å; D54-H238 PolarHBondContact OD1-N 2.9Å; D54-H238 WeakPolarHBondContact OD2-CA 3.23Å; D54-H238 PolarHBondContact OD2-N 3.41Å; D54-W257 HydrophobicContact CB-CD2 4.39Å; D54-W257 HydrophobicContact CB-CE3 4Å; D54-W257 HydrophobicContact CB-CH2 3.86Å; D54-W257 HydrophobicContact CB-CZ2 4.25Å; D54-W257 HydrophobicContact CB-CZ3 3.75Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.18Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.16Å; D54-S258 CarbonylContact O-C 3.49Å; D54-S258 WeakPolarHBondContact O-CA 3.17Å; D54-S258 WeakPolarHBondContact O-CB 3.28Å; D54-S258 PolarHBondContact O-N 3.44Å; D54-A259 PolarHBondContact O-N 3.39Å; D54-A259 VanDerWaalsContact O-N 3.08Å
55I98.7Very high98.2Very high2 Ų219.3 Ų19.31%0.0110%0.1CC..  trans-119.8-36179.9-53.2-62.8000112G57 Q58 L62 L65 F79 D82 T93I55-G57 PolarHBondContact O-N 3.28Å; I55-Q58 WeakPolarHBondContact O-CB 3.07Å; I55-Q58 PolarHBondContact O-N 3.45Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; I55-L62 HydrophobicContact CD1-CD1 4.31Å; I55-L62 HydrophobicContact CG2-CB 4.1Å; I55-L65 HydrophobicContact CD1-CD1 3.81Å; I55-F79 HydrophobicContact CD1-CD1 4.29Å; I55-F79 HydrophobicContact CD1-CE1 4.18Å; I55-F79 HydrophobicContact CG1-CD1 4.22Å; I55-F79 HydrophobicContact CG1-CE1 4.43Å; I55-D82 PolarHBondContact N-O 3.41Å; I55-T93 HydrophobicContact CB-CG2 4.31Å; I55-T93 HydrophobicContact CG2-CG2 3.51Å
56H98.4Very high98.2Very high2 Ų219.4 Ų19.41%0.00910%0.1CC..THydrogen-bonded Turntrans46.551.5174.1-75-56.3000114.7D54 Q58 D82 V84 D85 R86 G87 H115 W257 Y262D54-H56 IonicContact OD2-NE2 3.18Å; H56-Q58 PolarHBondContact O-N 3.03Å; H56-D82 IonicContact CE1-OD2 3.38Å; H56-D82 PolarHBondContact CE1-OD2 3.09Å; H56-D82 PolarHBondContact N-O 3.5Å; H56-D82 IonicContact NE2-OD2 2.74Å; H56-V84 PolarHBondContact ND1-O 3.36Å; H56-V84 VanDerWaalsContact ND1-O 3.09Å; H56-D85 CarbonylContact C-O 3.56Å; H56-D85 WeakPolarHBondContact CA-O 2.96Å; H56-D85 WeakPolarHBondContact CB-O 3.13Å; H56-R86 HydrophobicContact CB-CB 4.26Å; H56-R86 HydrophobicContact CB-CG 4.49Å; H56-G87 WeakPolarHBondContact O-CA 3.46Å; H56-G87 PolarHBondContact O-N 2.89Å; H56-H115 AromaticContact CE1-CD2 3.58Å; H56-H115 AromaticContact CE1-CG 3.89Å; H56-H115 AromaticContact CE1-NE2 3.78Å; H56-W257 AromaticContact CD2-CH2 3.84Å; H56-W257 AromaticContact NE2-CH2 3.86Å; H56-Y262 HydrophobicContact CB-CD2 4.45Å; H56-Y262 HydrophobicContact CB-CE2 3.77Å; H56-Y262 AromaticContact CD2-CE2 3.14Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.48Å; H56-Y262 AromaticContact CD2-CZ 3.53Å; H56-Y262 PolarHBondContact CD2-OH 3.22Å; H56-Y262 VanDerWaalsContact CD2-OH 3.32Å; H56-Y262 AromaticContact CG-CE2 3.63Å; H56-Y262 AromaticContact NE2-CE2 3.82Å; H56-Y262 AromaticContact NE2-CZ 3.7Å; H56-Y262 PolarHBondContact NE2-OH 3.38Å
57G97.8Very high98.2Very high0 Ų020.8 Ų20.80%010%0.1CC..THydrogen-bonded Turntrans60.415.7175.800000115.3I55 F59 F83 Y89I55-G57 PolarHBondContact O-N 3.28Å; G57-F59 PolarHBondContact O-N 3.01Å; G57-F83 PolarHBondContact N-O 3.43Å; G57-Y89 CarbonylContact O-C 3.1Å; G57-Y89 WeakPolarHBondContact O-CA 3.34Å; G57-Y89 WeakPolarHBondContact O-CB 3.22Å; G57-Y89 PolarHBondContact O-N 3.41Å
58Q97.5Very high98.2Very high4 Ų422.1 Ų22.12%0.01911%0.107CC..  trans-82.764.3175.5-62.8-163.8167.600110.9I55 H56 Y60 D61 L62 P260I55-Q58 WeakPolarHBondContact O-CB 3.07Å; I55-Q58 PolarHBondContact O-N 3.45Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; H56-Q58 PolarHBondContact O-N 3.03Å; Q58-Y60 VanDerWaalsContact C-N 3.31Å; Q58-Y60 PolarHBondContact O-N 3.06Å; Q58-Y60 VanDerWaalsContact O-N 3.14Å; Q58-D61 HydrophobicContact CB-CB 4.1Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.35Å; Q58-D61 PolarHBondContact NE2-OD2 3.42Å; Q58-D61 WeakPolarHBondContact O-CA 3.14Å; Q58-D61 WeakPolarHBondContact O-CB 3.28Å; Q58-D61 PolarHBondContact O-N 3.21Å; Q58-L62 PolarHBondContact O-N 2.94Å; Q58-P260 PolarHBondContact NE2-O 2.96Å
59F97.9Very high98.1Very high0 Ų019.5 Ų19.50%09%0.09CC..Hα-helixtrans-51.8-40.8-171.2-179.2-92.7000115.2L14 C17 G57 D61 L62 K63 Y89 E92 L96L14-F59 WeakPolarHBondContact O-CE2 3.18Å; L14-F59 WeakPolarHBondContact O-CZ 3.4Å; C17-F59 HydrophobicContact CB-CD1 3.68Å; C17-F59 HydrophobicContact CB-CE1 3.44Å; C17-F59 VanDerWaalsContact CB-CE1 3.44Å; C17-F59 HydrophobicContact CB-CZ 4.2Å; C17-F59 VanDerWaalsContact SG-CD1 3.57Å; G57-F59 PolarHBondContact O-N 3.01Å; F59-D61 VanDerWaalsContact C-N 3.28Å; F59-D61 PolarHBondContact O-N 2.9Å; F59-L62 WeakPolarHBondContact O-CB 3.28Å; F59-L62 PolarHBondContact O-N 3.34Å; F59-K63 HydrophobicContact CD1-CD 4.15Å; F59-K63 HydrophobicContact CD1-CG 4.47Å; F59-K63 HydrophobicContact CE1-CD 3.47Å; F59-K63 VanDerWaalsContact CE1-CD 3.47Å; F59-K63 HydrophobicContact CE1-CG 3.96Å; F59-K63 HydrophobicContact CZ-CD 4.07Å; F59-K63 HydrophobicContact CZ-CG 4.25Å; F59-K63 PolarHBondContact O-N 2.58Å; F59-Y89 VanDerWaalsContact CB-CB 3.44Å; F59-Y89 HydrophobicContact CB-CD2 4.43Å; F59-Y89 HydrophobicContact CB-CG 4.07Å; F59-E92 HydrophobicContact CD2-CB 3.7Å; F59-E92 HydrophobicContact CE2-CB 3.95Å; F59-E92 HydrophobicContact CG-CB 4.28Å; F59-L96 HydrophobicContact CE2-CB 4.44Å; F59-L96 HydrophobicContact CE2-CD2 3.72Å; F59-L96 HydrophobicContact CZ-CD2 4.19Å
60Y97.1Very high98.1Very high38 Ų3820.4 Ų20.415%0.14910%0.101CC..Hα-helixtrans-68.7-30.6178.9-65.9-80.5000112.5Q58 K63 E64 Y89 A289 S293 R294 G295Q58-Y60 VanDerWaalsContact C-N 3.31Å; Q58-Y60 PolarHBondContact O-N 3.06Å; Q58-Y60 VanDerWaalsContact O-N 3.14Å; Y60-K63 WeakPolarHBondContact O-CB 3.13Å; Y60-K63 PolarHBondContact O-N 3.33Å; Y60-E64 PolarHBondContact O-N 2.88Å; Y60-Y89 HydrophobicContact CD2-CD2 4.33Å; Y60-Y89 HydrophobicContact CD2-CE2 4.09Å; Y60-Y89 HydrophobicContact CE2-CD2 4.15Å; Y60-Y89 HydrophobicContact CE2-CE1 4.27Å; Y60-Y89 AromaticContact CE2-CE2 3.68Å; Y60-Y89 HydrophobicContact CE2-CE2 3.68Å; Y60-Y89 AromaticContact CE2-CZ 3.76Å; Y60-A289 WeakPolarHBondContact O-CB 3.47Å; Y60-S293 WeakPolarHBondContact CD1-O 3.48Å; Y60-S293 WeakPolarHBondContact CE1-O 3.5Å; Y60-R294 HydrophobicContact CD2-CB 4.26Å; Y60-R294 HydrophobicContact CD2-CG 4.22Å; Y60-R294 HydrophobicContact CG-CG 4.19Å; Y60-G295 WeakPolarHBondContact OH-CA 3.22Å; Y60-G295 PolarHBondContact OH-N 2.88Å; Y60-G295 VanDerWaalsContact OH-N 3.09Å
61D97.8Very high98Very high4 Ų424 Ų242%0.02112%0.12CC..Hα-helixtrans-77.3-31.3175-52.8-39.3000110.5Q58 F59 K63 E64 L65 P260 A289 R294Q58-D61 HydrophobicContact CB-CB 4.1Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.35Å; Q58-D61 PolarHBondContact NE2-OD2 3.42Å; Q58-D61 WeakPolarHBondContact O-CA 3.14Å; Q58-D61 WeakPolarHBondContact O-CB 3.28Å; Q58-D61 PolarHBondContact O-N 3.21Å; F59-D61 VanDerWaalsContact C-N 3.28Å; F59-D61 PolarHBondContact O-N 2.9Å; D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 2.8Å; D61-E64 PolarHBondContact O-N 3.27Å; D61-E64 VanDerWaalsContact O-N 3.15Å; D61-L65 PolarHBondContact O-N 2.86Å; D61-P260 HydrophobicContact CB-CG 3.72Å; D61-A289 VanDerWaalsContact OD1-CB 3.31Å; D61-A289 WeakPolarHBondContact OD1-CB 3.23Å; D61-A289 PolarHBondContact OD1-N 2.92Å; D61-R294 IonicContact OD1-CZ 3.96Å; D61-R294 IonicContact OD1-NH2 3.48Å; D61-R294 PolarHBondContact OD1-NH2 3.49Å; D61-R294 IonicContact OD2-NH2 3.45Å; D61-R294 PolarHBondContact OD2-NH2 2.96Å
62L98.4Very high98Very high1 Ų124.3 Ų24.31%0.00512%0.122CC..Hα-helixtrans-60.7-35.6166.9176.864000112I55 Q58 F59 L65 F66 F79 T93 L96 L97I55-L62 HydrophobicContact CD1-CD1 4.31Å; I55-L62 HydrophobicContact CG2-CB 4.1Å; Q58-L62 PolarHBondContact O-N 2.94Å; F59-L62 WeakPolarHBondContact O-CB 3.28Å; F59-L62 PolarHBondContact O-N 3.34Å; L62-L65 HydrophobicContact CD1-CD1 4.36Å; L62-L65 HydrophobicContact CD1-CD2 4.45Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 3.17Å; L62-F66 HydrophobicContact CD1-CD2 4.17Å; L62-F66 HydrophobicContact CD1-CE2 3.61Å; L62-F66 HydrophobicContact CD1-CZ 4.01Å; L62-F66 HydrophobicContact CD2-CE2 4.13Å; L62-F66 HydrophobicContact CG-CD2 4.11Å; L62-F66 HydrophobicContact CG-CE2 3.69Å; L62-F66 VanDerWaalsContact O-CD2 3.27Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 3.42Å; L62-F66 VanDerWaalsContact O-N 3.09Å; L62-F79 HydrophobicContact CD1-CE1 3.91Å; L62-F79 HydrophobicContact CD1-CZ 4.22Å; L62-T93 HydrophobicContact CD2-CG2 3.99Å; L62-L96 HydrophobicContact CD2-CD2 4.34Å; L62-L97 HydrophobicContact CD1-CD2 4.43Å; L62-L97 HydrophobicContact CD2-CD2 4.31Å; L62-L97 HydrophobicContact CD2-CG 4.3Å
63K97.8Very high97.9Very high94 Ų9426 Ų2641%0.40913%0.132SC..Hα-helixtrans-66.8-38.5173-71.3-178.159.7159.50112.3K15 F59 Y60 D61 L65 F66 K67K15-K63 PolarHBondContact O-NZ 3.36Å; F59-K63 HydrophobicContact CD1-CD 4.15Å; F59-K63 HydrophobicContact CD1-CG 4.47Å; F59-K63 HydrophobicContact CE1-CD 3.47Å; F59-K63 VanDerWaalsContact CE1-CD 3.47Å; F59-K63 HydrophobicContact CE1-CG 3.96Å; F59-K63 HydrophobicContact CZ-CD 4.07Å; F59-K63 HydrophobicContact CZ-CG 4.25Å; F59-K63 PolarHBondContact O-N 2.58Å; Y60-K63 WeakPolarHBondContact O-CB 3.13Å; Y60-K63 PolarHBondContact O-N 3.33Å; D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 2.8Å; K63-L65 VanDerWaalsContact C-N 3.33Å; K63-F66 PolarHBondContact O-N 3.11Å; K63-K67 WeakPolarHBondContact O-CB 3.41Å; K63-K67 PolarHBondContact O-N 2.92Å
64E97.6Very high97.8Very high40 Ų4033 Ų3319%0.18717%0.165CC..Hα-helixtrans-66.4-38.7174.2-165.961.3-153.400110.9Y60 D61 F66 K67 V68 F286Y60-E64 PolarHBondContact O-N 2.88Å; D61-E64 PolarHBondContact O-N 3.27Å; D61-E64 VanDerWaalsContact O-N 3.15Å; E64-F66 PolarHBondContact O-N 3.19Å; E64-K67 VanDerWaalsContact CD-NZ 3.28Å; E64-K67 WeakPolarHBondContact O-CA 3.46Å; E64-K67 WeakPolarHBondContact O-CB 3.32Å; E64-K67 PolarHBondContact O-N 3.31Å; E64-K67 IonicContact OE1-NZ 2.64Å; E64-K67 PolarHBondContact OE1-NZ 2.93Å; E64-K67 IonicContact OE2-NZ 3.63Å; E64-K67 PolarHBondContact OE2-NZ 2.92Å; E64-V68 HydrophobicContact CG-CG1 4.5Å; E64-V68 WeakPolarHBondContact O-CG2 3.37Å; E64-V68 PolarHBondContact O-N 2.88Å; E64-F286 HydrophobicContact CB-CD2 4.29Å; E64-F286 HydrophobicContact CG-CD2 4.12Å
65L98.5Very high97.8Very high0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-54.6-49.1172.8-177.1161.7000111.9C52 I55 D61 L62 K63 K67 V68 G69 Y77 F79 I272 F286C52-L65 HydrophobicContact CB-CD1 4.26Å; I55-L65 HydrophobicContact CD1-CD1 3.81Å; D61-L65 PolarHBondContact O-N 2.86Å; L62-L65 HydrophobicContact CD1-CD1 4.36Å; L62-L65 HydrophobicContact CD1-CD2 4.45Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 3.17Å; K63-L65 VanDerWaalsContact C-N 3.33Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 2.86Å; L65-V68 WeakPolarHBondContact O-CG2 3.25Å; L65-V68 PolarHBondContact O-N 3.41Å; L65-G69 PolarHBondContact O-N 3.34Å; L65-Y77 HydrophobicContact CD2-CE1 3.74Å; L65-F79 HydrophobicContact CD1-CE1 4.28Å; L65-F79 HydrophobicContact CD2-CE1 4.4Å; L65-F79 HydrophobicContact CD2-CZ 4.27Å; L65-I272 HydrophobicContact CD1-CG2 3.8Å; L65-I272 HydrophobicContact CD2-CG2 4.31Å; L65-I272 HydrophobicContact CG-CG2 3.73Å; L65-F286 HydrophobicContact CB-CE1 4.44Å; L65-F286 HydrophobicContact CB-CE2 4.21Å; L65-F286 HydrophobicContact CB-CZ 3.86Å; L65-F286 HydrophobicContact CD1-CZ 4.21Å; L65-F286 HydrophobicContact CG-CE1 4.49Å; L65-F286 HydrophobicContact CG-CZ 4.22Å
66F98.3Very high97.8Very high14 Ų1437.9 Ų37.96%0.06119%0.188CC..Hα-helixtrans-68-31.9175.5-70.5-55000112.9L62 K63 E64 G70 V72 Y77 F79 L96 L97 L100L62-F66 HydrophobicContact CD1-CD2 4.17Å; L62-F66 HydrophobicContact CD1-CE2 3.61Å; L62-F66 HydrophobicContact CD1-CZ 4.01Å; L62-F66 HydrophobicContact CD2-CE2 4.13Å; L62-F66 HydrophobicContact CG-CD2 4.11Å; L62-F66 HydrophobicContact CG-CE2 3.69Å; L62-F66 VanDerWaalsContact O-CD2 3.27Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 3.42Å; L62-F66 VanDerWaalsContact O-N 3.09Å; K63-F66 PolarHBondContact O-N 3.11Å; E64-F66 PolarHBondContact O-N 3.19Å; F66-G70 CarbonylContact O-C 3.5Å; F66-G70 WeakPolarHBondContact O-CA 3.42Å; F66-G70 PolarHBondContact O-N 2.75Å; F66-V72 HydrophobicContact CE1-CG2 4.41Å; F66-Y77 HydrophobicContact CD1-CE2 4.14Å; F66-Y77 AromaticContact CD1-CZ 3.96Å; F66-Y77 HydrophobicContact CE1-CD2 4.43Å; F66-Y77 HydrophobicContact CE1-CE1 4.4Å; F66-Y77 HydrophobicContact CE1-CE2 4.11Å; F66-F79 HydrophobicContact CE1-CZ 4.01Å; F66-F79 HydrophobicContact CZ-CE2 4.5Å; F66-F79 AromaticContact CZ-CZ 3.91Å; F66-F79 HydrophobicContact CZ-CZ 3.91Å; F66-L96 HydrophobicContact CE2-CD2 4.44Å; F66-L97 HydrophobicContact CZ-CD2 4.11Å; F66-L100 HydrophobicContact CE2-CD1 4.43Å; F66-L100 HydrophobicContact CZ-CD1 3.98Å
67K97.3Very high97.8Very high150 Ų15037.9 Ų37.965%0.65219%0.188SC*.Hα-helixtrans-66.3-36.7175.8177170.3153.5-116.20112.6K63 E64 L65K63-K67 WeakPolarHBondContact O-CB 3.41Å; K63-K67 PolarHBondContact O-N 2.92Å; E64-K67 VanDerWaalsContact CD-NZ 3.28Å; E64-K67 WeakPolarHBondContact O-CA 3.46Å; E64-K67 WeakPolarHBondContact O-CB 3.32Å; E64-K67 PolarHBondContact O-N 3.31Å; E64-K67 IonicContact OE1-NZ 2.64Å; E64-K67 PolarHBondContact OE1-NZ 2.93Å; E64-K67 IonicContact OE2-NZ 3.63Å; E64-K67 PolarHBondContact OE2-NZ 2.92Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 2.86Å
68V97.6Very high97.9Very high50 Ų5037.9 Ų37.930%0.30319%0.188SC..Hα-helixtrans-89-31.8179.6-56.20000113.2E64 L65 I272 V284 F286E64-V68 HydrophobicContact CG-CG1 4.5Å; E64-V68 WeakPolarHBondContact O-CG2 3.37Å; E64-V68 PolarHBondContact O-N 2.88Å; L65-V68 WeakPolarHBondContact O-CG2 3.25Å; L65-V68 PolarHBondContact O-N 3.41Å; V68-I272 HydrophobicContact CG2-CD1 4.1Å; V68-V284 HydrophobicContact CB-CG1 3.77Å; V68-V284 HydrophobicContact CG2-CG1 3.76Å; V68-F286 HydrophobicContact CG1-CB 4.3Å; V68-F286 HydrophobicContact CG2-CB 4.23Å; V68-F286 HydrophobicContact CG2-CD1 4.08Å; V68-F286 HydrophobicContact CG2-CG 4.21Å
69G97.6Very high97.9Very high2 Ų237.7 Ų37.72%0.02119%0.187CC..Hα-helixtrans-93.1-18.1-179.700000115.2L65 K75 Y77L65-G69 PolarHBondContact O-N 3.34Å; G69-K75 WeakPolarHBondContact O-CE 3.38Å; G69-K75 WeakPolarHBondContact O-CG 3.17Å; G69-Y77 VanDerWaalsContact C-OH 3.27Å; G69-Y77 WeakPolarHBondContact CA-OH 3.39Å
70G98Very high98Very high24 Ų2437.7 Ų37.725%0.24719%0.187CC..  trans96.6164-173.500000113.5F66 Y77F66-G70 CarbonylContact O-C 3.5Å; F66-G70 WeakPolarHBondContact O-CA 3.42Å; F66-G70 PolarHBondContact O-N 2.75Å; G70-Y77 WeakPolarHBondContact O-CE2 3.37Å; G70-Y77 PolarHBondContact O-OH 2.95Å
71D97.4Very high98.1Very high78 Ų7835.9 Ų35.942%0.41718%0.18SC..  trans-89.5157.9-177.1-78.7-62.3000112.8E74 K75D71-E74 PolarHBondContact O-N 3.43Å; D71-E74 VanDerWaalsContact O-N 3.15Å; D71-K75 PolarHBondContact O-N 2.94Å
72V97.4Very high98.1Very high7 Ų735.8 Ų35.84%0.04218%0.179CC..THydrogen-bonded Turntrans-84132.3164-179.90000107.8F66 Y77 L100 Y104 R107F66-V72 HydrophobicContact CE1-CG2 4.41Å; V72-Y77 HydrophobicContact CG2-CD2 3.61Å; V72-Y77 HydrophobicContact CG2-CE2 4.15Å; V72-Y77 HydrophobicContact CG2-CG 4.47Å; V72-L100 HydrophobicContact CB-CD2 4.31Å; V72-L100 HydrophobicContact CG1-CD2 4.49Å; V72-Y104 HydrophobicContact CG1-CD2 3.55Å; V72-Y104 HydrophobicContact CG1-CE2 4.31Å; V72-Y104 HydrophobicContact CG1-CG 3.94Å; V72-R107 HydrophobicContact CG1-CB 3.95Å
73P97.3Very high98.1Very high34 Ų3435.7 Ų35.722%0.22118%0.179CC..THydrogen-bonded Turncis-98.64.616.438.5-37.6000116.7K75 Y104 R107P73-K75 PolarHBondContact O-N 3.18Å; P73-Y104 HydrophobicContact CB-CD1 3.65Å; P73-Y104 HydrophobicContact CB-CD2 4.43Å; P73-Y104 HydrophobicContact CB-CE1 3.74Å; P73-Y104 HydrophobicContact CB-CG 4.01Å; P73-Y104 HydrophobicContact CG-CD1 4.12Å; P73-Y104 HydrophobicContact CG-CE1 3.65Å; P73-Y104 HydrophobicContact CG-CE2 4.5Å; P73-R107 HydrophobicContact CB-CG 3.99Å
74E97.6Very high98.2Very high147 Ų14731.2 Ų31.269%0.68716%0.159SC*.THydrogen-bonded Turntrans-63.8-32.6-178.2-67.570.5-156.200112.2D71D71-E74 PolarHBondContact O-N 3.43Å; D71-E74 VanDerWaalsContact O-N 3.15Å
75K97.9Very high98.2Very high76 Ų7629.3 Ų29.333%0.3315%0.151SC..SBendtrans-114.5146.4175.8-69.3-81.8-165.2145.20111.1G69 D71 P73 Y77 E274G69-K75 WeakPolarHBondContact O-CE 3.38Å; G69-K75 WeakPolarHBondContact O-CG 3.17Å; D71-K75 PolarHBondContact O-N 2.94Å; P73-K75 PolarHBondContact O-N 3.18Å; K75-Y77 HydrophobicContact CB-CD2 4.23Å; K75-Y77 HydrophobicContact CB-CE2 3.75Å; K75-E274 IonicContact NZ-OE1 3.93Å; K75-E274 PolarHBondContact NZ-OE1 3.4Å
76N98.7Very high98Very high31 Ų3131 Ų3117%0.16616%0.157CC..  trans-91.1141.8171.7-54.9-41.3000109.8P48 V49 T50 R107P48-N76 WeakPolarHBondContact O-CB 3.48Å; P48-N76 PolarHBondContact O-ND2 3.04Å; V49-N76 HydrophobicContact CB-CB 4.41Å; V49-N76 HydrophobicContact CG2-CB 4.35Å; T50-N76 PolarHBondContact N-O 3.01Å; N76-R107 CarbonylContact C-O 3.57Å; N76-R107 VanDerWaalsContact CA-O 3.22Å; N76-R107 WeakPolarHBondContact CA-O 3.44Å; N76-R107 WeakPolarHBondContact OD1-CD 3.32Å; N76-R107 PolarHBondContact OD1-NH1 3.47Å
77Y98.9Very high97.7Very high2 Ų230.4 Ų30.41%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-128.7143.6-176.9-85.2-89.2000113.2T50 C52 L65 F66 G69 G70 V72 K75 F79 R107 I108 T109T50-Y77 HydrophobicContact CG2-CD1 3.97Å; T50-Y77 HydrophobicContact CG2-CE1 3.44Å; T50-Y77 VanDerWaalsContact CG2-CE1 3.44Å; T50-Y77 CarbonylContact O-C 3.57Å; T50-Y77 WeakPolarHBondContact O-CA 3.28Å; C52-Y77 VanDerWaalsContact SG-CD1 3.57Å; L65-Y77 HydrophobicContact CD2-CE1 3.74Å; F66-Y77 HydrophobicContact CD1-CE2 4.14Å; F66-Y77 AromaticContact CD1-CZ 3.96Å; F66-Y77 HydrophobicContact CE1-CD2 4.43Å; F66-Y77 HydrophobicContact CE1-CE1 4.4Å; F66-Y77 HydrophobicContact CE1-CE2 4.11Å; G69-Y77 VanDerWaalsContact C-OH 3.27Å; G69-Y77 WeakPolarHBondContact CA-OH 3.39Å; G70-Y77 WeakPolarHBondContact O-CE2 3.37Å; G70-Y77 PolarHBondContact O-OH 2.95Å; V72-Y77 HydrophobicContact CG2-CD2 3.61Å; V72-Y77 HydrophobicContact CG2-CE2 4.15Å; V72-Y77 HydrophobicContact CG2-CG 4.47Å; K75-Y77 HydrophobicContact CB-CD2 4.23Å; K75-Y77 HydrophobicContact CB-CE2 3.75Å; Y77-F79 HydrophobicContact CD1-CD2 4.45Å; Y77-F79 AromaticContact CD1-CE2 3.63Å; Y77-F79 HydrophobicContact CD1-CE2 3.63Å; Y77-F79 AromaticContact CD1-CZ 3.83Å; Y77-F79 HydrophobicContact CD1-CZ 3.83Å; Y77-F79 HydrophobicContact CE1-CZ 4.32Å; Y77-F79 AromaticContact CG-CE2 3.81Å; Y77-F79 HydrophobicContact CG-CE2 3.81Å; Y77-F79 HydrophobicContact CG-CZ 4.37Å; Y77-R107 PolarHBondContact N-O 3Å; Y77-I108 CarbonylContact O-C 3.5Å; Y77-I108 WeakPolarHBondContact O-CA 3.43Å; Y77-T109 PolarHBondContact O-N 2.93Å
78L98.9Very high97.6Very high0 Ų025.1 Ų25.10%013%0.131CC..EExtended strand (participates in β ladder)trans-123.5113.8164173.472.1000108.3V45 V49 T50 V51 C52 T109 I111 A154 I156 C162V45-L78 HydrophobicContact CG2-CD1 4.43Å; V49-L78 HydrophobicContact CG2-CB 4.05Å; T50-L78 PolarHBondContact O-N 3.44Å; V51-L78 CarbonylContact C-O 3.1Å; V51-L78 WeakPolarHBondContact CA-O 3.44Å; V51-L78 HydrophobicContact CG1-CD2 4.09Å; V51-L78 HydrophobicContact CG1-CG 4.49Å; V51-L78 HydrophobicContact CG2-CB 4.39Å; V51-L78 HydrophobicContact CG2-CD2 4.25Å; C52-L78 PolarHBondContact N-O 3.23Å; L78-T109 WeakPolarHBondContact CA-O 3.16Å; L78-T109 HydrophobicContact CD1-CG2 3.47Å; L78-T109 VanDerWaalsContact CD1-CG2 3.47Å; L78-I111 HydrophobicContact CD1-CG2 4.18Å; L78-A154 HydrophobicContact CD1-CB 3.72Å; L78-A154 HydrophobicContact CD2-CB 4.09Å; L78-I156 HydrophobicContact CD2-CD1 3.93Å; L78-I156 HydrophobicContact CD2-CG1 4.28Å; L78-C162 HydrophobicContact CD2-CB 3.52Å; L78-C162 WeakPolarHBondContact CD2-SG 3.45Å
79F98.9Very high97.5Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-100.9129.1173-67.2-103.6000111.2C52 I55 L62 L65 F66 Y77 G81 F83 L97 I108 T109 L110 I111C52-F79 HydrophobicContact CB-CD1 3.49Å; C52-F79 VanDerWaalsContact CB-CD1 3.49Å; C52-F79 HydrophobicContact CB-CE1 3.72Å; C52-F79 HydrophobicContact CB-CG 4.04Å; C52-F79 HydrophobicContact CB-CZ 4.45Å; I55-F79 HydrophobicContact CD1-CD1 4.29Å; I55-F79 HydrophobicContact CD1-CE1 4.18Å; I55-F79 HydrophobicContact CG1-CD1 4.22Å; I55-F79 HydrophobicContact CG1-CE1 4.43Å; L62-F79 HydrophobicContact CD1-CE1 3.91Å; L62-F79 HydrophobicContact CD1-CZ 4.22Å; L65-F79 HydrophobicContact CD1-CE1 4.28Å; L65-F79 HydrophobicContact CD2-CE1 4.4Å; L65-F79 HydrophobicContact CD2-CZ 4.27Å; F66-F79 HydrophobicContact CE1-CZ 4.01Å; F66-F79 HydrophobicContact CZ-CE2 4.5Å; F66-F79 AromaticContact CZ-CZ 3.91Å; F66-F79 HydrophobicContact CZ-CZ 3.91Å; Y77-F79 HydrophobicContact CD1-CD2 4.45Å; Y77-F79 AromaticContact CD1-CE2 3.63Å; Y77-F79 HydrophobicContact CD1-CE2 3.63Å; Y77-F79 AromaticContact CD1-CZ 3.83Å; Y77-F79 HydrophobicContact CD1-CZ 3.83Å; Y77-F79 HydrophobicContact CE1-CZ 4.32Å; Y77-F79 AromaticContact CG-CE2 3.81Å; Y77-F79 HydrophobicContact CG-CE2 3.81Å; Y77-F79 HydrophobicContact CG-CZ 4.37Å; F79-G81 VanDerWaalsContact C-N 3.3Å; F79-G81 PolarHBondContact O-N 2.92Å; F79-F83 HydrophobicContact CB-CE1 3.61Å; F79-F83 HydrophobicContact CB-CZ 4.22Å; F79-F83 HydrophobicContact CG-CE1 4.4Å; F79-L97 HydrophobicContact CD1-CD1 4.45Å; F79-L97 HydrophobicContact CD1-CD2 4.39Å; F79-L97 HydrophobicContact CD2-CD2 4.23Å; F79-L97 HydrophobicContact CE1-CD2 4Å; F79-L97 HydrophobicContact CE2-CD2 3.82Å; F79-L97 HydrophobicContact CZ-CD2 3.71Å; F79-I108 HydrophobicContact CD2-CD1 3.96Å; F79-I108 HydrophobicContact CD2-CG1 4.08Å; F79-I108 HydrophobicContact CE2-CD1 3.74Å; F79-I108 HydrophobicContact CE2-CG1 4.19Å; F79-T109 PolarHBondContact N-O 3.47Å; F79-L110 HydrophobicContact CB-CD2 3.97Å; F79-L110 HydrophobicContact CD2-CD2 3.96Å; F79-L110 HydrophobicContact CG-CD2 4.23Å; F79-I111 WeakPolarHBondContact O-CG1 3.46Å; F79-I111 PolarHBondContact O-N 2.94Å
80M98.8Very high97.6Very high0 Ų023.9 Ų23.90%012%0.12CC..  trans-89.231.1-172.6-62.6-172.3-65.400114.6V51 C52 I111 C162 H164 R236 A237 V256V51-M80 HydrophobicContact CG1-CE 3.76Å; V51-M80 HydrophobicContact CG1-CG 4.05Å; V51-M80 HydrophobicContact CG1-SD 3.77Å; C52-M80 WeakPolarHBondContact O-CB 3.08Å; C52-M80 WeakPolarHBondContact O-CG 3.33Å; C52-M80 PolarHBondContact O-N 2.81Å; M80-I111 VanDerWaalsContact CA-CG1 3.5Å; M80-I111 HydrophobicContact CB-CD1 4.12Å; M80-I111 HydrophobicContact CB-CG1 4.32Å; M80-I111 HydrophobicContact CG-CD1 4.07Å; M80-C162 HydrophobicContact SD-CB 4.32Å; M80-H164 VanDerWaalsContact O-CB 3.26Å; M80-H164 WeakPolarHBondContact O-CB 3.49Å; M80-H164 VanDerWaalsContact O-CG 3.29Å; M80-H164 PolarHBondContact O-ND1 2.85Å; M80-R236 VanDerWaalsContact CE-O 3.32Å; M80-R236 WeakPolarHBondContact CE-O 3.48Å; M80-A237 HydrophobicContact CB-CB 3.92Å; M80-A237 HydrophobicContact CE-CB 4.05Å; M80-V256 HydrophobicContact CE-CB 3.91Å; M80-V256 HydrophobicContact CE-CG2 4.31Å
81G98.6Very high97.6Very high0 Ų022.8 Ų22.80%011%0.109CC..SBendtrans87.6-171.4175.700000115.1F79 I111F79-G81 VanDerWaalsContact C-N 3.3Å; F79-G81 PolarHBondContact O-N 2.92Å; G81-I111 VanDerWaalsContact CA-O 3.23Å; G81-I111 WeakPolarHBondContact CA-O 3.49Å; G81-I111 PolarHBondContact N-O 3.23Å
82D98.8Very high97.7Very high1 Ų119.5 Ų19.51%0.0059%0.091CC..  trans54.456.3-177.8-80.818.2000112.2D54 I55 H56 G113 N114 H115 E116 H164D54-D82 HydrophobicContact CB-CB 4.02Å; I55-D82 PolarHBondContact N-O 3.41Å; H56-D82 IonicContact CE1-OD2 3.38Å; H56-D82 PolarHBondContact CE1-OD2 3.09Å; H56-D82 PolarHBondContact N-O 3.5Å; H56-D82 IonicContact NE2-OD2 2.74Å; D82-G113 WeakPolarHBondContact OD1-CA 3.23Å; D82-N114 PolarHBondContact OD1-N 3.04Å; D82-N114 PolarHBondContact OD1-OD1 3.27Å; D82-N114 PolarHBondContact OD2-OD1 3.34Å; D82-H115 WeakPolarHBondContact OD1-CB 3.46Å; D82-H115 IonicContact OD1-CD2 3.91Å; D82-H115 IonicContact OD1-CG 2.67Å; D82-H115 PolarHBondContact OD1-N 3.36Å; D82-H115 IonicContact OD2-CD2 3.37Å; D82-H115 PolarHBondContact OD2-CD2 3.45Å; D82-H115 IonicContact OD2-CG 3.16Å; D82-E116 PolarHBondContact N-OE2 2.98Å; D82-H164 IonicContact OD1-CE1 2.73Å; D82-H164 PolarHBondContact OD1-CE1 3.3Å; D82-H164 IonicContact OD1-NE2 2.84Å; D82-H164 PolarHBondContact OD1-NE2 3.08Å; D82-H164 IonicContact OD2-CE1 2.97Å; D82-H164 PolarHBondContact OD2-CE1 2.78Å; D82-H164 IonicContact OD2-NE2 3.05Å; D82-H164 PolarHBondContact OD2-NE2 2.79Å
83F98.8Very high97.7Very high0 Ų019.1 Ų19.10%09%0.089CC..  trans-77-31.1176.5-47.8-55000111.8G57 F79 T93 F94 L97 L110 E116 L150G57-F83 PolarHBondContact N-O 3.43Å; F79-F83 HydrophobicContact CB-CE1 3.61Å; F79-F83 HydrophobicContact CB-CZ 4.22Å; F79-F83 HydrophobicContact CG-CE1 4.4Å; F83-T93 WeakPolarHBondContact O-CG2 3.46Å; F83-F94 HydrophobicContact CB-CB 4.41Å; F83-F94 HydrophobicContact CB-CD2 4.11Å; F83-F94 AromaticContact CD2-CD2 3.74Å; F83-F94 HydrophobicContact CD2-CD2 3.74Å; F83-F94 HydrophobicContact CD2-CE2 4Å; F83-F94 HydrophobicContact CE2-CE2 4.49Å; F83-F94 HydrophobicContact CG-CD2 4.17Å; F83-L97 HydrophobicContact CB-CD1 4.42Å; F83-L97 HydrophobicContact CD1-CD1 3.44Å; F83-L97 VanDerWaalsContact CD1-CD1 3.44Å; F83-L97 HydrophobicContact CE1-CD1 3.94Å; F83-L97 HydrophobicContact CG-CD1 4.07Å; F83-L110 HydrophobicContact CE1-CD2 4.29Å; F83-L110 HydrophobicContact CE2-CB 4.46Å; F83-L110 HydrophobicContact CZ-CB 4.03Å; F83-L110 HydrophobicContact CZ-CD2 4.09Å; F83-E116 HydrophobicContact CD2-CG 3.91Å; F83-E116 WeakPolarHBondContact CD2-OE1 3.48Å; F83-E116 HydrophobicContact CE2-CG 4.35Å; F83-E116 PolarHBondContact N-OE1 3.43Å; F83-L150 HydrophobicContact CE2-CD1 4.03Å
84V98.8Very high97.8Very high0 Ų017.5 Ų17.50%08%0.078CC..SBendtrans-113.5177.2-168.9-580000112.9H56 F94 H115 E116 T121 F126 F147H56-V84 PolarHBondContact ND1-O 3.36Å; H56-V84 VanDerWaalsContact ND1-O 3.09Å; V84-F94 HydrophobicContact CG1-CB 3.83Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; V84-H115 HydrophobicContact CG2-CB 4.31Å; V84-E116 PolarHBondContact N-OE1 2.82Å; V84-T121 HydrophobicContact CG2-CG2 3.81Å; V84-F126 HydrophobicContact CB-CB 4.13Å; V84-F126 HydrophobicContact CB-CD1 4.33Å; V84-F126 HydrophobicContact CB-CD2 4.09Å; V84-F126 HydrophobicContact CB-CG 3.93Å; V84-F126 HydrophobicContact CG1-CD1 4.33Å; V84-F126 HydrophobicContact CG1-CD2 4Å; V84-F126 HydrophobicContact CG1-CE1 4.32Å; V84-F126 HydrophobicContact CG1-CE2 3.96Å; V84-F126 HydrophobicContact CG1-CG 4.16Å; V84-F126 HydrophobicContact CG1-CZ 4.12Å; V84-F126 HydrophobicContact CG2-CB 4.36Å; V84-F126 HydrophobicContact CG2-CD1 4.33Å; V84-F126 HydrophobicContact CG2-CG 4.3Å; V84-F147 HydrophobicContact CG1-CZ 4.08Å; V84-F147 HydrophobicContact CG2-CE2 4.46Å; V84-F147 HydrophobicContact CG2-CZ 4.2Å
85D98Very high97.9Very high0 Ų010.6 Ų10.60%05%0.046CC..SBendtrans66.3166.1-177.3-67.8-37.2000114.4H56 G87 S90 H115 T121 Y124 G125 F126H56-D85 CarbonylContact C-O 3.56Å; H56-D85 WeakPolarHBondContact CA-O 2.96Å; H56-D85 WeakPolarHBondContact CB-O 3.13Å; D85-G87 PolarHBondContact O-N 2.86Å; D85-S90 PolarHBondContact N-OG 2.78Å; D85-H115 VanDerWaalsContact CB-ND1 3.28Å; D85-H115 WeakPolarHBondContact CB-ND1 3.4Å; D85-H115 IonicContact OD2-CE1 2.78Å; D85-H115 IonicContact OD2-CG 2.67Å; D85-H115 IonicContact OD2-ND1 2.62Å; D85-H115 PolarHBondContact OD2-ND1 2.85Å; D85-T121 WeakPolarHBondContact OD2-CA 3.49Å; D85-Y124 WeakPolarHBondContact CB-O 3.41Å; D85-Y124 VanDerWaalsContact OD1-C 3.23Å; D85-G125 PolarHBondContact OD1-N 2.67Å; D85-F126 WeakPolarHBondContact OD1-CB 3.44Å; D85-F126 PolarHBondContact OD1-N 3.15Å
86R93.8Very high97.9Very high35 Ų357.1 Ų7.113%0.1323%0.031CC..SBendtrans66.3-62-179.8-41.9-63.8-172.9154.93.3113.1H56 Y124 Y262 Y305 F306H56-R86 HydrophobicContact CB-CB 4.26Å; H56-R86 HydrophobicContact CB-CG 4.49Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.46Å; R86-Y124 PolarHBondContact N-O 3.4Å; R86-Y124 VanDerWaalsContact NH2-CD1 3.33Å; R86-Y262 HydrophobicContact CB-CE2 4.22Å; R86-Y262 HydrophobicContact CG-CE2 4.22Å; R86-Y305 PolarHBondContact NH1-O 3.19Å; R86-F306 WeakPolarHBondContact O-CE1 3.39Å; R86-F306 WeakPolarHBondContact O-CZ 3.31Å
87G93.4Very high97.9Very high2 Ų25.6 Ų5.62%0.0212%0.023CC..SBendtrans-69160.2176.500000113.6H56 D85 Y89 S90H56-G87 WeakPolarHBondContact O-CA 3.46Å; H56-G87 PolarHBondContact O-N 2.89Å; D85-G87 PolarHBondContact O-N 2.86Å; G87-Y89 VanDerWaalsContact C-N 3.3Å; G87-Y89 PolarHBondContact O-N 3.34Å; G87-S90 PolarHBondContact O-OG 3.44Å
88Y93.5Very high97.9Very high38 Ų385.5 Ų5.515%0.1492%0.023CC..THydrogen-bonded Turntrans-79.5-6.6-177.2-62-65.4000115.3K133 Y264 P297 P301 F306Y88-K133 PolarHBondContact O-NZ 2.73Å; Y88-K133 VanDerWaalsContact O-NZ 3.14Å; Y88-Y264 AromaticContact CD2-CE2 3.54Å; Y88-Y264 HydrophobicContact CD2-CE2 3.54Å; Y88-Y264 AromaticContact CD2-CZ 3.73Å; Y88-Y264 WeakPolarHBondContact CD2-OH 3.15Å; Y88-Y264 AromaticContact CE2-CD2 3.93Å; Y88-Y264 HydrophobicContact CE2-CD2 3.93Å; Y88-Y264 AromaticContact CE2-CE2 3.28Å; Y88-Y264 HydrophobicContact CE2-CE2 3.28Å; Y88-Y264 AromaticContact CE2-CZ 3.91Å; Y88-Y264 PolarHBondContact N-OH 3.43Å; Y88-P297 HydrophobicContact CD2-CG 4.02Å; Y88-P297 HydrophobicContact CE2-CG 4.31Å; Y88-P297 HydrophobicContact CG-CG 4.32Å; Y88-P301 HydrophobicContact CD1-CG 4.49Å; Y88-P301 HydrophobicContact CE1-CG 3.89Å; Y88-F306 HydrophobicContact CD1-CZ 4.23Å; Y88-F306 AromaticContact CE1-CE2 3.61Å; Y88-F306 HydrophobicContact CE1-CE2 3.61Å; Y88-F306 AromaticContact CE1-CZ 3.61Å; Y88-F306 HydrophobicContact CE1-CZ 3.61Å; Y88-F306 HydrophobicContact CE2-CE2 4.42Å; Y88-F306 AromaticContact CE2-CZ 3.92Å; Y88-F306 HydrophobicContact CE2-CZ 3.92Å; Y88-F306 AromaticContact CZ-CE2 3.53Å; Y88-F306 AromaticContact CZ-CZ 3.43Å; Y88-F306 VanDerWaalsContact CZ-CZ 3.43Å; Y88-F306 VanDerWaalsContact OH-CE2 3.25Å; Y88-F306 WeakPolarHBondContact OH-CE2 3.5Å
89Y97.1Very high97.9Very high26 Ų265.5 Ų5.510%0.1022%0.023CC..THydrogen-bonded Turntrans-130.136.9-168.2-53-81.9000112.3C17 G57 F59 Y60 G87 V91 E92 T93 E129 G295C17-Y89 WeakPolarHBondContact SG-CD1 3.09Å; G57-Y89 CarbonylContact O-C 3.1Å; G57-Y89 WeakPolarHBondContact O-CA 3.34Å; G57-Y89 WeakPolarHBondContact O-CB 3.22Å; G57-Y89 PolarHBondContact O-N 3.41Å; F59-Y89 VanDerWaalsContact CB-CB 3.44Å; F59-Y89 HydrophobicContact CB-CD2 4.43Å; F59-Y89 HydrophobicContact CB-CG 4.07Å; Y60-Y89 HydrophobicContact CD2-CD2 4.33Å; Y60-Y89 HydrophobicContact CD2-CE2 4.09Å; Y60-Y89 HydrophobicContact CE2-CD2 4.15Å; Y60-Y89 HydrophobicContact CE2-CE1 4.27Å; Y60-Y89 AromaticContact CE2-CE2 3.68Å; Y60-Y89 HydrophobicContact CE2-CE2 3.68Å; Y60-Y89 AromaticContact CE2-CZ 3.76Å; G87-Y89 VanDerWaalsContact C-N 3.3Å; G87-Y89 PolarHBondContact O-N 3.34Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.14Å; Y89-E92 VanDerWaalsContact CA-OE2 3.26Å; Y89-E92 WeakPolarHBondContact CA-OE2 3.17Å; Y89-E92 WeakPolarHBondContact CB-OE2 3.42Å; Y89-E92 PolarHBondContact O-N 2.61Å; Y89-T93 VanDerWaalsContact O-CB 3.23Å; Y89-T93 WeakPolarHBondContact O-CB 3.4Å; Y89-T93 PolarHBondContact O-N 3.21Å; Y89-T93 PolarHBondContact O-OG1 3.47Å; Y89-E129 WeakPolarHBondContact CA-OE1 3.29Å; Y89-G295 PolarHBondContact OH-O 3.04Å
90S98.6Very high97.9Very high0 Ų05.8 Ų5.80%02%0.024CC..Hα-helixtrans-61.9-35.8177.5-55.80000112D85 G87 F94 F126 E129D85-S90 PolarHBondContact N-OG 2.78Å; G87-S90 PolarHBondContact O-OG 3.44Å; S90-F94 WeakPolarHBondContact O-CB 3.22Å; S90-F94 PolarHBondContact O-N 2.88Å; S90-F126 VanDerWaalsContact CB-CD2 3.49Å; S90-E129 WeakPolarHBondContact CB-OE2 3.49Å; S90-E129 VanDerWaalsContact N-CD 3.32Å; S90-E129 PolarHBondContact N-OE1 2.99Å; S90-E129 PolarHBondContact N-OE2 3.25Å; S90-E129 PolarHBondContact OG-OE2 2.89Å
91V98.5Very high97.9Very high1 Ų16 Ų61%0.0063%0.025CC..Hα-helixtrans-60.5-54.1176.2167.80000110.7I19 Y89 T93 L95 F126 E129 K133 Y134I19-V91 HydrophobicContact CG2-CG1 4.06Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.14Å; V91-T93 VanDerWaalsContact C-N 3.33Å; V91-L95 HydrophobicContact CG1-CD1 3.7Å; V91-L95 WeakPolarHBondContact O-CB 3.45Å; V91-L95 WeakPolarHBondContact O-CG 3.42Å; V91-L95 PolarHBondContact O-N 3.47Å; V91-F126 HydrophobicContact CG2-CD2 4.42Å; V91-F126 HydrophobicContact CG2-CE2 3.88Å; V91-E129 VanDerWaalsContact CB-OE1 3.32Å; V91-E129 WeakPolarHBondContact CB-OE1 3.44Å; V91-E129 HydrophobicContact CG2-CG 3.98Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.16Å; V91-E129 PolarHBondContact N-OE1 3.09Å; V91-K133 HydrophobicContact CB-CD 4.14Å; V91-K133 HydrophobicContact CG1-CD 4.43Å; V91-K133 HydrophobicContact CG2-CD 4.18Å; V91-Y134 HydrophobicContact CG1-CE2 3.69Å; V91-Y134 HydrophobicContact CG2-CE2 4.42Å
92E98.6Very high97.9Very high9 Ų96.8 Ų6.84%0.0423%0.03CC..Hα-helixtrans-66.9-38.7-178.7-61.483.7171.900110.9I19 F59 Y89 L96 K133I19-E92 HydrophobicContact CG2-CG 4.25Å; I19-E92 WeakPolarHBondContact CG2-OE1 3.36Å; F59-E92 HydrophobicContact CD2-CB 3.7Å; F59-E92 HydrophobicContact CE2-CB 3.95Å; F59-E92 HydrophobicContact CG-CB 4.28Å; Y89-E92 VanDerWaalsContact CA-OE2 3.26Å; Y89-E92 WeakPolarHBondContact CA-OE2 3.17Å; Y89-E92 WeakPolarHBondContact CB-OE2 3.42Å; Y89-E92 PolarHBondContact O-N 2.61Å; E92-L96 WeakPolarHBondContact O-CB 3.32Å; E92-L96 PolarHBondContact O-N 2.92Å; E92-K133 WeakPolarHBondContact OE1-CE 3.41Å; E92-K133 IonicContact OE1-NZ 2.82Å; E92-K133 PolarHBondContact OE1-NZ 3.41Å; E92-K133 IonicContact OE2-NZ 3.99Å; E92-K133 PolarHBondContact OE2-NZ 3.36Å
93T98.8Very high97.9Very high0 Ų09.8 Ų9.80%04%0.041CC..Hα-helixtrans-59.9-58178-60.40000111I55 L62 F83 Y89 V91 L96 L97I55-T93 HydrophobicContact CB-CG2 4.31Å; I55-T93 HydrophobicContact CG2-CG2 3.51Å; L62-T93 HydrophobicContact CD2-CG2 3.99Å; F83-T93 WeakPolarHBondContact O-CG2 3.46Å; Y89-T93 VanDerWaalsContact O-CB 3.23Å; Y89-T93 WeakPolarHBondContact O-CB 3.4Å; Y89-T93 PolarHBondContact O-N 3.21Å; Y89-T93 PolarHBondContact O-OG1 3.47Å; V91-T93 VanDerWaalsContact C-N 3.33Å; T93-L96 PolarHBondContact O-N 3.22Å; T93-L97 HydrophobicContact CG2-CD1 4.47Å; T93-L97 WeakPolarHBondContact O-CG 3.45Å; T93-L97 PolarHBondContact O-N 2.99Å
94F98.9Very high97.8Very high0 Ų012.2 Ų12.20%05%0.051CC..Hα-helixtrans-66.9-42.5-177.4179.8-113.7000111.9F83 V84 S90 L96 L97 L98 C143 I146 F147F83-F94 HydrophobicContact CB-CB 4.41Å; F83-F94 HydrophobicContact CB-CD2 4.11Å; F83-F94 AromaticContact CD2-CD2 3.74Å; F83-F94 HydrophobicContact CD2-CD2 3.74Å; F83-F94 HydrophobicContact CD2-CE2 4Å; F83-F94 HydrophobicContact CE2-CE2 4.49Å; F83-F94 HydrophobicContact CG-CD2 4.17Å; V84-F94 HydrophobicContact CG1-CB 3.83Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; S90-F94 WeakPolarHBondContact O-CB 3.22Å; S90-F94 PolarHBondContact O-N 2.88Å; F94-L96 VanDerWaalsContact C-N 3.33Å; F94-L96 PolarHBondContact O-N 3.08Å; F94-L97 PolarHBondContact O-N 3.42Å; F94-L98 HydrophobicContact CE1-CD2 4.03Å; F94-L98 HydrophobicContact CZ-CD1 4.25Å; F94-L98 HydrophobicContact CZ-CD2 4.22Å; F94-L98 VanDerWaalsContact O-CB 3.28Å; F94-L98 WeakPolarHBondContact O-CB 3.42Å; F94-L98 PolarHBondContact O-N 3.17Å; F94-C143 HydrophobicContact CD1-CB 4.06Å; F94-C143 HydrophobicContact CE1-CB 3.85Å; F94-I146 HydrophobicContact CZ-CB 4.46Å; F94-I146 HydrophobicContact CZ-CG2 3.97Å; F94-F147 AromaticContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CZ 4.48Å; F94-F147 AromaticContact CD2-CE1 3.96Å; F94-F147 HydrophobicContact CD2-CE1 3.96Å; F94-F147 HydrophobicContact CE1-CD1 4.18Å; F94-F147 AromaticContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CZ 4.42Å; F94-F147 HydrophobicContact CE2-CD1 4.05Å; F94-F147 AromaticContact CE2-CE1 3.62Å; F94-F147 HydrophobicContact CE2-CE1 3.62Å; F94-F147 HydrophobicContact CG-CE1 4.1Å; F94-F147 AromaticContact CZ-CD1 3.71Å; F94-F147 HydrophobicContact CZ-CD1 3.71Å; F94-F147 AromaticContact CZ-CE1 3.39Å; F94-F147 HydrophobicContact CZ-CE1 3.39Å
95L98.9Very high97.8Very high1 Ų114.3 Ų14.31%0.0056%0.064CC..Hα-helixtrans-66.7-33.7180-66.2176.8000112.5L14 I20 V25 L28 V91 A99L14-L95 HydrophobicContact CD1-CB 3.99Å; L14-L95 HydrophobicContact CD2-CB 3.88Å; I20-L95 HydrophobicContact CD1-CD1 4.49Å; I20-L95 HydrophobicContact CG1-CD1 4.18Å; V25-L95 HydrophobicContact CG1-CD2 3.85Å; V25-L95 HydrophobicContact CG2-CD1 3.77Å; V25-L95 HydrophobicContact CG2-CD2 4.37Å; L28-L95 HydrophobicContact CD2-CD2 4.21Å; V91-L95 HydrophobicContact CG1-CD1 3.7Å; V91-L95 WeakPolarHBondContact O-CB 3.45Å; V91-L95 WeakPolarHBondContact O-CG 3.42Å; V91-L95 PolarHBondContact O-N 3.47Å; L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 3.34Å
96L98.9Very high97.7Very high3 Ų321.6 Ų21.62%0.01610%0.103CC..Hα-helixtrans-64.5-50174177.458.9000110.8I11 L14 K15 F59 L62 F66 E92 T93 F94 L98 A99 L100I11-L96 HydrophobicContact CG2-CD1 4.26Å; L14-L96 HydrophobicContact CB-CB 4.16Å; L14-L96 HydrophobicContact CB-CD1 4.08Å; K15-L96 HydrophobicContact CG-CD1 3.95Å; K15-L96 HydrophobicContact CG-CD2 4.43Å; F59-L96 HydrophobicContact CE2-CB 4.44Å; F59-L96 HydrophobicContact CE2-CD2 3.72Å; F59-L96 HydrophobicContact CZ-CD2 4.19Å; L62-L96 HydrophobicContact CD2-CD2 4.34Å; F66-L96 HydrophobicContact CE2-CD2 4.44Å; E92-L96 WeakPolarHBondContact O-CB 3.32Å; E92-L96 PolarHBondContact O-N 2.92Å; T93-L96 PolarHBondContact O-N 3.22Å; F94-L96 VanDerWaalsContact C-N 3.33Å; F94-L96 PolarHBondContact O-N 3.08Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.74Å; L96-A99 PolarHBondContact O-N 2.81Å; L96-L100 HydrophobicContact CD1-CD1 4.26Å; L96-L100 HydrophobicContact CD1-CG 4.29Å; L96-L100 HydrophobicContact CG-CD1 4.23Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 2.71Å
97L98.9Very high98Very high0 Ų025.2 Ų25.20%012%0.117CC..Hα-helixtrans-60.6-41.2177.9-66.6174.9000111.4L62 F66 F79 F83 T93 F94 L100 K101 I108 L110L62-L97 HydrophobicContact CD1-CD2 4.43Å; L62-L97 HydrophobicContact CD2-CD2 4.31Å; L62-L97 HydrophobicContact CD2-CG 4.3Å; F66-L97 HydrophobicContact CZ-CD2 4.11Å; F79-L97 HydrophobicContact CD1-CD1 4.45Å; F79-L97 HydrophobicContact CD1-CD2 4.39Å; F79-L97 HydrophobicContact CD2-CD2 4.23Å; F79-L97 HydrophobicContact CE1-CD2 4Å; F79-L97 HydrophobicContact CE2-CD2 3.82Å; F79-L97 HydrophobicContact CZ-CD2 3.71Å; F83-L97 HydrophobicContact CB-CD1 4.42Å; F83-L97 HydrophobicContact CD1-CD1 3.44Å; F83-L97 VanDerWaalsContact CD1-CD1 3.44Å; F83-L97 HydrophobicContact CE1-CD1 3.94Å; F83-L97 HydrophobicContact CG-CD1 4.07Å; T93-L97 HydrophobicContact CG2-CD1 4.47Å; T93-L97 WeakPolarHBondContact O-CG 3.45Å; T93-L97 PolarHBondContact O-N 2.99Å; F94-L97 PolarHBondContact O-N 3.42Å; L97-L100 PolarHBondContact O-N 2.95Å; L97-K101 WeakPolarHBondContact O-CB 3.35Å; L97-K101 PolarHBondContact O-N 2.8Å; L97-I108 HydrophobicContact CD2-CD1 4.14Å; L97-L110 HydrophobicContact CB-CD1 4.29Å; L97-L110 HydrophobicContact CB-CD2 4.28Å
98L98.9Very high98.2Very high0 Ų025.1 Ų25.10%012%0.116CC..Hα-helixtrans-66.8-41.2177.3-165.966000112.3L28 A32 F94 L96 K101 V102 I146L28-L98 HydrophobicContact CD2-CB 4.43Å; L28-L98 HydrophobicContact CD2-CD2 4.3Å; L28-L98 HydrophobicContact CD2-CG 4.49Å; L28-L98 HydrophobicContact CG-CD2 4.14Å; L28-L98 HydrophobicContact CG-CG 4.33Å; A32-L98 HydrophobicContact CB-CD1 3.46Å; A32-L98 VanDerWaalsContact CB-CD1 3.46Å; A32-L98 HydrophobicContact CB-CD2 4.09Å; A32-L98 HydrophobicContact CB-CG 3.81Å; F94-L98 HydrophobicContact CE1-CD2 4.03Å; F94-L98 HydrophobicContact CZ-CD1 4.25Å; F94-L98 HydrophobicContact CZ-CD2 4.22Å; F94-L98 VanDerWaalsContact O-CB 3.28Å; F94-L98 WeakPolarHBondContact O-CB 3.42Å; F94-L98 PolarHBondContact O-N 3.17Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.74Å; L98-K101 WeakPolarHBondContact O-CB 3.45Å; L98-K101 PolarHBondContact O-N 2.96Å; L98-V102 WeakPolarHBondContact O-CG2 3.36Å; L98-V102 PolarHBondContact O-N 3.2Å; L98-I146 HydrophobicContact CD1-CG2 3.84Å; L98-I146 HydrophobicContact CD2-CG2 4.3Å
99A98.8Very high98.5Very high0 Ų024.1 Ų24.10%011%0.114CC..Hα-helixtrans-64.6-41.3175.900000111.8L7 I11 L14 L28 L95 L96 K101 V102 R103L7-A99 HydrophobicContact CD1-CB 4.15Å; I11-A99 HydrophobicContact CD1-CB 4.42Å; I11-A99 HydrophobicContact CG1-CB 3.66Å; L14-A99 HydrophobicContact CD1-CB 4.18Å; L28-A99 HydrophobicContact CD1-CB 4.16Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 3.34Å; L96-A99 PolarHBondContact O-N 2.81Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-V102 PolarHBondContact O-N 2.87Å; A99-R103 VanDerWaalsContact O-CB 3.23Å; A99-R103 WeakPolarHBondContact O-CB 3.4Å; A99-R103 PolarHBondContact O-N 2.95Å
100L98.8Very high98.5Very high6 Ų622.9 Ų22.93%0.03111%0.109CC..Hα-helixtrans-61.9-41.2172-69.7172.5000111.4I11 F66 V72 L96 L97 R103 Y104 I108I11-L100 HydrophobicContact CD1-CD2 4.4Å; I11-L100 HydrophobicContact CG2-CD2 4.2Å; F66-L100 HydrophobicContact CE2-CD1 4.43Å; F66-L100 HydrophobicContact CZ-CD1 3.98Å; V72-L100 HydrophobicContact CB-CD2 4.31Å; V72-L100 HydrophobicContact CG1-CD2 4.49Å; L96-L100 HydrophobicContact CD1-CD1 4.26Å; L96-L100 HydrophobicContact CD1-CG 4.29Å; L96-L100 HydrophobicContact CG-CD1 4.23Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 2.71Å; L97-L100 PolarHBondContact O-N 2.95Å; L100-R103 PolarHBondContact O-N 3.07Å; L100-Y104 HydrophobicContact CD2-CD2 4.26Å; L100-Y104 HydrophobicContact CD2-CE2 4.3Å; L100-Y104 PolarHBondContact O-N 2.88Å; L100-I108 HydrophobicContact CB-CD1 4.25Å; L100-I108 HydrophobicContact CB-CG2 4.47Å
101K98.8Very high98.6Very high4 Ų422.9 Ų22.92%0.01711%0.109CC..Hα-helixtrans-60.8-45.3174.7179.162.7-176.6178.30112.8E39 L97 L98 A99 R103 Y104 P105 I108 L110E39-K101 WeakPolarHBondContact OE1-CE 3.38Å; E39-K101 IonicContact OE1-NZ 3.78Å; E39-K101 PolarHBondContact OE1-NZ 2.73Å; L97-K101 WeakPolarHBondContact O-CB 3.35Å; L97-K101 PolarHBondContact O-N 2.8Å; L98-K101 WeakPolarHBondContact O-CB 3.45Å; L98-K101 PolarHBondContact O-N 2.96Å; A99-K101 VanDerWaalsContact C-N 3.34Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 3.45Å; K101-Y104 CarbonylContact O-C 3.51Å; K101-P105 PolarHBondContact NZ-O 3.16Å; K101-P105 WeakPolarHBondContact O-CA 3.38Å; K101-P105 VanDerWaalsContact O-N 3.16Å; K101-I108 HydrophobicContact CB-CG2 3.93Å; K101-I108 HydrophobicContact CD-CG2 3.95Å; K101-I108 WeakPolarHBondContact CD-O 3.43Å; K101-I108 PolarHBondContact NZ-O 3.46Å; K101-L110 HydrophobicContact CB-CD1 4.01Å; K101-L110 HydrophobicContact CG-CD1 4.42Å
102V98.6Very high98.6Very high16 Ų1622.9 Ų22.910%0.09711%0.109CC..Hα-helixtrans-66.2-36.9177.3174.40000111.4L7 L28 K31 A32 I35 L98 A99L7-V102 HydrophobicContact CD2-CB 4.26Å; L7-V102 HydrophobicContact CD2-CG1 3.73Å; L28-V102 HydrophobicContact CD1-CB 4.04Å; L28-V102 HydrophobicContact CD1-CG1 4.47Å; L28-V102 HydrophobicContact CD1-CG2 3.74Å; K31-V102 HydrophobicContact CB-CG1 3.79Å; K31-V102 HydrophobicContact CB-CG2 4.27Å; K31-V102 HydrophobicContact CD-CG1 4.23Å; A32-V102 HydrophobicContact CB-CG2 3.68Å; I35-V102 HydrophobicContact CD1-CB 4.3Å; I35-V102 HydrophobicContact CD1-CG1 4.32Å; I35-V102 HydrophobicContact CD1-CG2 4.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.36Å; L98-V102 PolarHBondContact O-N 3.2Å; A99-V102 PolarHBondContact O-N 2.87Å
103R98.3Very high98.6Very high64 Ų6422.4 Ų22.424%0.24211%0.107CC..Hα-helixtrans-78.1-34.1-176.7-17858.9-176.876.94.5113.6L7 D8 I11 A99 L100 K101L7-R103 HydrophobicContact CD2-CB 3.73Å; L7-R103 HydrophobicContact CD2-CG 4.39Å; L7-R103 HydrophobicContact CG-CB 4.28Å; D8-R103 WeakPolarHBondContact OD1-CD 3.38Å; D8-R103 IonicContact OD1-CZ 3.83Å; D8-R103 IonicContact OD1-NE 2.97Å; D8-R103 PolarHBondContact OD1-NE 3.23Å; D8-R103 IonicContact OD1-NH2 3.98Å; D8-R103 IonicContact OD2-NE 2.71Å; I11-R103 HydrophobicContact CD1-CB 3.66Å; I11-R103 HydrophobicContact CD1-CG 3.8Å; A99-R103 VanDerWaalsContact O-CB 3.23Å; A99-R103 WeakPolarHBondContact O-CB 3.4Å; A99-R103 PolarHBondContact O-N 2.95Å; L100-R103 PolarHBondContact O-N 3.07Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 3.45Å
104Y98.3Very high98.6Very high52 Ų5222.6 Ų22.620%0.20411%0.107CC..  trans-137.363.6-173.8-53.1-69.6000110.7V72 P73 L100 K101 D106 R107 I108V72-Y104 HydrophobicContact CG1-CD2 3.55Å; V72-Y104 HydrophobicContact CG1-CE2 4.31Å; V72-Y104 HydrophobicContact CG1-CG 3.94Å; P73-Y104 HydrophobicContact CB-CD1 3.65Å; P73-Y104 HydrophobicContact CB-CD2 4.43Å; P73-Y104 HydrophobicContact CB-CE1 3.74Å; P73-Y104 HydrophobicContact CB-CG 4.01Å; P73-Y104 HydrophobicContact CG-CD1 4.12Å; P73-Y104 HydrophobicContact CG-CE1 3.65Å; P73-Y104 HydrophobicContact CG-CE2 4.5Å; L100-Y104 HydrophobicContact CD2-CD2 4.26Å; L100-Y104 HydrophobicContact CD2-CE2 4.3Å; L100-Y104 PolarHBondContact O-N 2.88Å; K101-Y104 CarbonylContact O-C 3.51Å; Y104-D106 PolarHBondContact O-N 3.45Å; Y104-D106 VanDerWaalsContact O-N 3.11Å; Y104-R107 PolarHBondContact O-N 3.26Å; Y104-I108 PolarHBondContact O-N 2.73Å
105P97.6Very high98.6Very high44 Ų4423 Ų2329%0.28611%0.11SC..THydrogen-bonded Turntrans-58.7-29.8-171.722.9-34.5000114I35 K101I35-P105 HydrophobicContact CD1-CB 4.42Å; I35-P105 HydrophobicContact CG2-CB 4Å; K101-P105 PolarHBondContact NZ-O 3.16Å; K101-P105 WeakPolarHBondContact O-CA 3.38Å; K101-P105 VanDerWaalsContact O-N 3.16Å
106D96.9Very high98.6Very high152 Ų15223 Ų2381%0.81311%0.109SC*.THydrogen-bonded Turntrans-87-3.9179.3-50.9-47.7000113.6Y104Y104-D106 PolarHBondContact O-N 3.45Å; Y104-D106 VanDerWaalsContact O-N 3.11Å
107R98.3Very high98.6Very high112 Ų11223.1 Ų23.142%0.42311%0.11SC..THydrogen-bonded Turntrans-108.1-18.5-176.4-59.2-64-173.5168.92.1113.6V72 P73 N76 Y77 Y104V72-R107 HydrophobicContact CG1-CB 3.95Å; P73-R107 HydrophobicContact CB-CG 3.99Å; N76-R107 CarbonylContact C-O 3.57Å; N76-R107 VanDerWaalsContact CA-O 3.22Å; N76-R107 WeakPolarHBondContact CA-O 3.44Å; N76-R107 WeakPolarHBondContact OD1-CD 3.32Å; N76-R107 PolarHBondContact OD1-NH1 3.47Å; Y77-R107 PolarHBondContact N-O 3Å; Y104-R107 PolarHBondContact O-N 3.26Å
108I98.5Very high98.5Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-136.5128.8-178.6-172.2172.8000110.3Y77 F79 L97 L100 K101 Y104 L110Y77-I108 CarbonylContact O-C 3.5Å; Y77-I108 WeakPolarHBondContact O-CA 3.43Å; F79-I108 HydrophobicContact CD2-CD1 3.96Å; F79-I108 HydrophobicContact CD2-CG1 4.08Å; F79-I108 HydrophobicContact CE2-CD1 3.74Å; F79-I108 HydrophobicContact CE2-CG1 4.19Å; L97-I108 HydrophobicContact CD2-CD1 4.14Å; L100-I108 HydrophobicContact CB-CD1 4.25Å; L100-I108 HydrophobicContact CB-CG2 4.47Å; K101-I108 HydrophobicContact CB-CG2 3.93Å; K101-I108 HydrophobicContact CD-CG2 3.95Å; K101-I108 WeakPolarHBondContact CD-O 3.43Å; K101-I108 PolarHBondContact NZ-O 3.46Å; Y104-I108 PolarHBondContact O-N 2.73Å; I108-L110 HydrophobicContact CD1-CD2 3.95Å; I108-L110 HydrophobicContact CG1-CD2 3.94Å; I108-L110 HydrophobicContact CG1-CG 4.49Å
109T98.9Very high98.5Very high17 Ų1730 Ų3010%0.10414%0.14CC..EExtended strand (participates in β ladder)trans-112.5130.2174.6-58.10000108.5Q43 V45 Y77 L78 F79 I111Q43-T109 HydrophobicContact CB-CG2 3.97Å; Q43-T109 HydrophobicContact CG-CG2 4.07Å; V45-T109 HydrophobicContact CG2-CG2 4.12Å; Y77-T109 PolarHBondContact O-N 2.93Å; L78-T109 WeakPolarHBondContact CA-O 3.16Å; L78-T109 HydrophobicContact CD1-CG2 3.47Å; L78-T109 VanDerWaalsContact CD1-CG2 3.47Å; F79-T109 PolarHBondContact N-O 3.47Å; T109-I111 HydrophobicContact CG2-CG2 4.39Å
110L98.9Very high98.4Very high0 Ų031.2 Ų31.20%015%0.146CC..EExtended strand (participates in β ladder)trans-118116.5178.1-55.4179.1000107.6F79 F83 L97 K101 I108 L150F79-L110 HydrophobicContact CB-CD2 3.97Å; F79-L110 HydrophobicContact CD2-CD2 3.96Å; F79-L110 HydrophobicContact CG-CD2 4.23Å; F83-L110 HydrophobicContact CE1-CD2 4.29Å; F83-L110 HydrophobicContact CE2-CB 4.46Å; F83-L110 HydrophobicContact CZ-CB 4.03Å; F83-L110 HydrophobicContact CZ-CD2 4.09Å; L97-L110 HydrophobicContact CB-CD1 4.29Å; L97-L110 HydrophobicContact CB-CD2 4.28Å; K101-L110 HydrophobicContact CB-CD1 4.01Å; K101-L110 HydrophobicContact CG-CD1 4.42Å; I108-L110 HydrophobicContact CD1-CD2 3.95Å; I108-L110 HydrophobicContact CG1-CD2 3.94Å; I108-L110 HydrophobicContact CG1-CG 4.49Å; L110-L150 HydrophobicContact CB-CD2 3.89Å
111I98.9Very high98.4Very high0 Ų030.9 Ų30.90%014%0.144CC..BIsolated β-bridgetrans-101.8155.8170.166.2168.2000110L78 F79 M80 G81 T109 S151 A154L78-I111 HydrophobicContact CD1-CG2 4.18Å; F79-I111 WeakPolarHBondContact O-CG1 3.46Å; F79-I111 PolarHBondContact O-N 2.94Å; M80-I111 VanDerWaalsContact CA-CG1 3.5Å; M80-I111 HydrophobicContact CB-CD1 4.12Å; M80-I111 HydrophobicContact CB-CG1 4.32Å; M80-I111 HydrophobicContact CG-CD1 4.07Å; G81-I111 VanDerWaalsContact CA-O 3.23Å; G81-I111 WeakPolarHBondContact CA-O 3.49Å; G81-I111 PolarHBondContact N-O 3.23Å; T109-I111 HydrophobicContact CG2-CG2 4.39Å; I111-S151 CarbonylContact C-O 3.57Å; I111-S151 WeakPolarHBondContact CA-O 3.17Å; I111-S151 WeakPolarHBondContact CB-O 3.47Å; I111-A154 HydrophobicContact CG2-CB 4.28Å
112R98.9Very high98.3Very high0 Ų035.6 Ų35.60%017%0.166CC..  trans-73.6134.1-175.1-159.6175.5-175.2166.67.9110.3E116 F147 D148 L150 S151 H164 Q184 L196R112-E116 HydrophobicContact CG-CB 3.84Å; R112-E116 PolarHBondContact NE-O 2.85Å; R112-E116 PolarHBondContact NH2-O 2.9Å; R112-F147 WeakPolarHBondContact CD-O 3.5Å; R112-F147 VanDerWaalsContact CZ-O 3.28Å; R112-F147 PolarHBondContact NE-O 2.79Å; R112-D148 IonicContact CZ-OD1 3.84Å; R112-D148 IonicContact NH1-OD1 3.89Å; R112-D148 IonicContact NH2-OD1 3.74Å; R112-D148 PolarHBondContact NH2-OD1 3.08Å; R112-L150 HydrophobicContact CB-CB 3.77Å; R112-L150 HydrophobicContact CB-CD1 4.41Å; R112-L150 HydrophobicContact CG-CB 4.17Å; R112-L150 HydrophobicContact CG-CD1 4.28Å; R112-S151 PolarHBondContact N-O 2.76Å; R112-H164 WeakPolarHBondContact O-CB 3.44Å; R112-Q184 PolarHBondContact NH1-O 3.45Å; R112-L196 HydrophobicContact CB-CD2 4.35Å; R112-L196 HydrophobicContact CG-CD1 4.43Å; R112-L196 WeakPolarHBondContact O-CD2 3.35Å
113G98.9Very high98.1Very high0 Ų039.2 Ų39.20%019%0.188CC..  trans-97.6176.4164.600000112D82 H115 E116 H164D82-G113 WeakPolarHBondContact OD1-CA 3.23Å; G113-H115 VanDerWaalsContact C-N 3.26Å; G113-H115 PolarHBondContact O-N 3.18Å; G113-E116 WeakPolarHBondContact CA-OE2 3.45Å; G113-E116 PolarHBondContact N-OE2 3.32Å; G113-E116 PolarHBondContact O-N 3.47Å; G113-H164 VanDerWaalsContact CA-CD2 3.42Å; G113-H164 WeakPolarHBondContact CA-CD2 3.1Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å
114N98.8Very high97.9Very high3 Ų339.7 Ų39.72%0.01619%0.191CC..SBendtrans-73.6-22178.970.4-67.4000112.4D82 E116 S117 H164 L196 W197 H238D82-N114 PolarHBondContact OD1-N 3.04Å; D82-N114 PolarHBondContact OD1-OD1 3.27Å; D82-N114 PolarHBondContact OD2-OD1 3.34Å; N114-E116 VanDerWaalsContact C-N 3.35Å; N114-S117 WeakPolarHBondContact O-CB 3.47Å; N114-H164 PolarHBondContact N-CD2 3.03Å; N114-H164 VanDerWaalsContact N-CD2 3.3Å; N114-H164 PolarHBondContact N-NE2 2.89Å; N114-H164 PolarHBondContact OD1-NE2 3.25Å; N114-L196 HydrophobicContact CB-CB 4.13Å; N114-W197 HydrophobicContact CB-CD2 3.97Å; N114-W197 HydrophobicContact CB-CG 4.31Å; N114-W197 HydrophobicContact CB-CH2 4.49Å; N114-W197 HydrophobicContact CB-CZ2 3.8Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.49Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.28Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.27Å; N114-H238 PolarHBondContact OD1-CE1 3.29Å; N114-H238 VanDerWaalsContact OD1-CE1 3.25Å; N114-H238 PolarHBondContact OD1-ND1 2.99Å
115H98.7Very high97.7Very high10 Ų1037.3 Ų37.35%0.04618%0.182CC..SBendtrans-77.1-16.3174.8-81.5-98.2000114.1H56 D82 V84 D85 G113 S117 I120 T121H56-H115 AromaticContact CE1-CD2 3.58Å; H56-H115 AromaticContact CE1-CG 3.89Å; H56-H115 AromaticContact CE1-NE2 3.78Å; D82-H115 WeakPolarHBondContact OD1-CB 3.46Å; D82-H115 IonicContact OD1-CD2 3.91Å; D82-H115 IonicContact OD1-CG 2.67Å; D82-H115 PolarHBondContact OD1-N 3.36Å; D82-H115 IonicContact OD2-CD2 3.37Å; D82-H115 PolarHBondContact OD2-CD2 3.45Å; D82-H115 IonicContact OD2-CG 3.16Å; V84-H115 HydrophobicContact CG2-CB 4.31Å; D85-H115 VanDerWaalsContact CB-ND1 3.28Å; D85-H115 WeakPolarHBondContact CB-ND1 3.4Å; D85-H115 IonicContact OD2-CE1 2.78Å; D85-H115 IonicContact OD2-CG 2.67Å; D85-H115 IonicContact OD2-ND1 2.62Å; D85-H115 PolarHBondContact OD2-ND1 2.85Å; G113-H115 VanDerWaalsContact C-N 3.26Å; G113-H115 PolarHBondContact O-N 3.18Å; H115-S117 PolarHBondContact O-N 2.95Å; H115-I120 HydrophobicContact CB-CG2 4.28Å; H115-I120 VanDerWaalsContact ND1-CG2 3.26Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.48Å; H115-T121 WeakPolarHBondContact O-CG2 3.26Å
116E98.8Very high97.7Very high0 Ų035.2 Ų35.20%017%0.168CC..SBendtrans-77.454.7170.8-75.874.2-133.700111.7D82 F83 V84 R112 G113 N114 F147 L150D82-E116 PolarHBondContact N-OE2 2.98Å; F83-E116 HydrophobicContact CD2-CG 3.91Å; F83-E116 WeakPolarHBondContact CD2-OE1 3.48Å; F83-E116 HydrophobicContact CE2-CG 4.35Å; F83-E116 PolarHBondContact N-OE1 3.43Å; V84-E116 PolarHBondContact N-OE1 2.82Å; R112-E116 HydrophobicContact CG-CB 3.84Å; R112-E116 PolarHBondContact NE-O 2.85Å; R112-E116 PolarHBondContact NH2-O 2.9Å; G113-E116 WeakPolarHBondContact CA-OE2 3.45Å; G113-E116 PolarHBondContact N-OE2 3.32Å; G113-E116 PolarHBondContact O-N 3.47Å; N114-E116 VanDerWaalsContact C-N 3.35Å; E116-F147 VanDerWaalsContact C-CD2 3.42Å; E116-F147 VanDerWaalsContact CA-CD2 3.5Å; E116-F147 HydrophobicContact CB-CB 3.89Å; E116-F147 HydrophobicContact CB-CD1 3.89Å; E116-F147 HydrophobicContact CB-CD2 3.82Å; E116-F147 HydrophobicContact CB-CE1 4.36Å; E116-F147 HydrophobicContact CB-CE2 4.32Å; E116-F147 HydrophobicContact CB-CG 3.6Å; E116-F147 HydrophobicContact CG-CD1 3.64Å; E116-F147 HydrophobicContact CG-CD2 4.21Å; E116-F147 HydrophobicContact CG-CE1 3.74Å; E116-F147 HydrophobicContact CG-CE2 4.32Å; E116-F147 HydrophobicContact CG-CG 3.9Å; E116-F147 HydrophobicContact CG-CZ 4.1Å; E116-F147 WeakPolarHBondContact O-CB 3.41Å; E116-L150 HydrophobicContact CB-CD1 4.24Å; E116-L150 HydrophobicContact CG-CD1 3.93Å
117S98.6Very high97.8Very high5 Ų531 Ų314%0.03514%0.141CC..SBendtrans-135.2142.1-176.2157.50000110.2N114 H115 Q119 I120 T121 E185N114-S117 WeakPolarHBondContact O-CB 3.47Å; H115-S117 PolarHBondContact O-N 2.95Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.37Å; S117-Q119 PolarHBondContact OG-N 3.36Å; S117-I120 PolarHBondContact OG-N 2.86Å; S117-T121 WeakPolarHBondContact O-CB 3.32Å; S117-T121 WeakPolarHBondContact O-CG2 3.33Å; S117-T121 PolarHBondContact O-N 2.95Å; S117-T121 PolarHBondContact O-OG1 3.1Å; S117-E185 WeakPolarHBondContact CA-OE1 3.41Å; S117-E185 WeakPolarHBondContact CB-OE1 2.96Å; S117-E185 PolarHBondContact OG-OE1 3.33Å
118R98.6Very high97.7Very high62 Ų6229.7 Ų29.723%0.23414%0.143CC..Hα-helixtrans-62.5-41.3175.6-68.5168.7-175.482.6-2.1111.5T121 Q122 W140 T144 D148 E185R118-T121 PolarHBondContact O-OG1 2.62Å; R118-Q122 VanDerWaalsContact O-CG 3.24Å; R118-Q122 WeakPolarHBondContact O-CG 3.31Å; R118-Q122 PolarHBondContact O-N 3.04Å; R118-Q122 PolarHBondContact O-OE1 3.04Å; R118-W140 HydrophobicContact CB-CH2 4.34Å; R118-W140 HydrophobicContact CB-CZ2 3.9Å; R118-W140 HydrophobicContact CG-CH2 4.3Å; R118-W140 HydrophobicContact CG-CZ2 4.01Å; R118-T144 HydrophobicContact CG-CG2 3.85Å; R118-T144 PolarHBondContact NH2-O 2.75Å; R118-D148 IonicContact CZ-OD1 2.81Å; R118-D148 IonicContact CZ-OD2 3.32Å; R118-D148 VanDerWaalsContact CZ-OD2 3.29Å; R118-D148 IonicContact NH1-OD1 3.78Å; R118-D148 PolarHBondContact NH1-OD1 2.84Å; R118-D148 IonicContact NH1-OD2 3.6Å; R118-D148 PolarHBondContact NH1-OD2 2.85Å; R118-D148 IonicContact NH2-OD1 3.71Å; R118-D148 IonicContact NH2-OD2 3.95Å; R118-D148 PolarHBondContact NH2-OD2 3.26Å; R118-E185 WeakPolarHBondContact CB-OE2 2.78Å; R118-E185 WeakPolarHBondContact CD-OE2 3.44Å; R118-E185 VanDerWaalsContact CG-OE2 3.23Å; R118-E185 WeakPolarHBondContact CG-OE2 2.94Å; R118-E185 IonicContact CZ-OE2 3.23Å; R118-E185 PolarHBondContact N-OE1 2.97Å; R118-E185 PolarHBondContact N-OE2 2.88Å; R118-E185 VanDerWaalsContact N-OE2 3.15Å; R118-E185 IonicContact NE-OE2 3.54Å; R118-E185 IonicContact NH1-OE2 3.54Å; R118-E185 PolarHBondContact NH1-OE2 2.86Å
119Q97.3Very high97.7Very high83 Ų8330 Ų3039%0.38814%0.144SC..Hα-helixtrans-67.7-44.2-177-58.2-173.215.300111.7S117 E185 H188S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.37Å; S117-Q119 PolarHBondContact OG-N 3.36Å; Q119-E185 PolarHBondContact N-OE1 2.75Å; Q119-H188 PolarHBondContact NE2-CE1 2.9Å; Q119-H188 PolarHBondContact NE2-NE2 2.65Å; Q119-H188 PolarHBondContact OE1-CE1 3.06Å
120I97.7Very high97.7Very high25 Ų2529.2 Ų29.213%0.12814%0.139CC..Hα-helixtrans-68.3-47.1-179.4-57.7-57.3000110.4H115 S117 Q122 V123 Y124 W197H115-I120 HydrophobicContact CB-CG2 4.28Å; H115-I120 VanDerWaalsContact ND1-CG2 3.26Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.48Å; S117-I120 PolarHBondContact OG-N 2.86Å; I120-Q122 PolarHBondContact O-N 2.99Å; I120-V123 PolarHBondContact O-N 3.03Å; I120-Y124 HydrophobicContact CB-CD2 4.42Å; I120-Y124 HydrophobicContact CD1-CE2 4.4Å; I120-Y124 HydrophobicContact CG2-CD2 3.52Å; I120-Y124 HydrophobicContact CG2-CE2 4.08Å; I120-Y124 HydrophobicContact CG2-CG 4.47Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.42Å; I120-Y124 PolarHBondContact O-N 3.18Å; I120-W197 HydrophobicContact CD1-CH2 3.97Å; I120-W197 HydrophobicContact CD1-CZ2 3.78Å; I120-W197 HydrophobicContact CG1-CZ2 4.14Å
121T98.2Very high97.6Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-65.5-22.8-177.954.70000114.7V84 D85 H115 S117 R118 V123 F126 Y127 W140 F147V84-T121 HydrophobicContact CG2-CG2 3.81Å; D85-T121 WeakPolarHBondContact OD2-CA 3.49Å; H115-T121 WeakPolarHBondContact O-CG2 3.26Å; S117-T121 WeakPolarHBondContact O-CB 3.32Å; S117-T121 WeakPolarHBondContact O-CG2 3.33Å; S117-T121 PolarHBondContact O-N 2.95Å; S117-T121 PolarHBondContact O-OG1 3.1Å; R118-T121 PolarHBondContact O-OG1 2.62Å; T121-V123 VanDerWaalsContact C-N 3.26Å; T121-F126 HydrophobicContact CG2-CB 3.89Å; T121-F126 HydrophobicContact CG2-CD1 3.71Å; T121-F126 HydrophobicContact CG2-CG 4.23Å; T121-Y127 VanDerWaalsContact O-CB 3.23Å; T121-Y127 WeakPolarHBondContact O-CB 3.36Å; T121-Y127 PolarHBondContact O-N 2.87Å; T121-W140 PolarHBondContact OG1-NE1 2.9Å; T121-F147 HydrophobicContact CG2-CE2 4.19Å
122Q96.6Very high97.5Very high102 Ų10239 Ų3948%0.47718%0.182SC..Hα-helixtrans-70.8-22.1172.8-79.3-178.8-52.200113.3R118 I120 Y127 W140R118-Q122 VanDerWaalsContact O-CG 3.24Å; R118-Q122 WeakPolarHBondContact O-CG 3.31Å; R118-Q122 PolarHBondContact O-N 3.04Å; R118-Q122 PolarHBondContact O-OE1 3.04Å; I120-Q122 PolarHBondContact O-N 2.99Å; Q122-Y127 HydrophobicContact CG-CD2 4.12Å; Q122-Y127 HydrophobicContact CG-CG 4.29Å; Q122-W140 HydrophobicContact CG-CH2 4.43Å; Q122-W140 HydrophobicContact CG-CZ2 3.88Å
123V95Very high97.4Very high92 Ų9240.9 Ų40.956%0.55819%0.189SC*.Hα-helixtrans-104.7-35.8-175.9-178.90000111.6I120 T121I120-V123 PolarHBondContact O-N 3.03Å; T121-V123 VanDerWaalsContact C-N 3.26Å
124Y93.8Very high97.3Very high75 Ų7542.7 Ų42.729%0.29420%0.196SC..Hα-helixtrans-106.310.4-166.1-63.9-71.2000115.7D85 R86 I120 Y305D85-Y124 WeakPolarHBondContact CB-O 3.41Å; D85-Y124 VanDerWaalsContact OD1-C 3.23Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.46Å; R86-Y124 PolarHBondContact N-O 3.4Å; R86-Y124 VanDerWaalsContact NH2-CD1 3.33Å; I120-Y124 HydrophobicContact CB-CD2 4.42Å; I120-Y124 HydrophobicContact CD1-CE2 4.4Å; I120-Y124 HydrophobicContact CG2-CD2 3.52Å; I120-Y124 HydrophobicContact CG2-CE2 4.08Å; I120-Y124 HydrophobicContact CG2-CG 4.47Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.42Å; I120-Y124 PolarHBondContact O-N 3.18Å; Y124-Y305 WeakPolarHBondContact O-CD2 3.34Å
125G94.2Very high97.3Very high2 Ų245.6 Ų45.62%0.02123%0.227CC..SBendtrans121.9-22.7157.100000116.3D85 Y127 D128 E129D85-G125 PolarHBondContact OD1-N 2.67Å; G125-Y127 PolarHBondContact O-N 3.14Å; G125-D128 PolarHBondContact O-N 2.84Å; G125-E129 WeakPolarHBondContact O-CB 3.44Å; G125-E129 PolarHBondContact O-N 2.75Å
126F98.3Very high97.1Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-66.1-37-175.2179.8-124.5000113.2V84 D85 S90 V91 T121 E129 C130 W140 C143 F147V84-F126 HydrophobicContact CB-CB 4.13Å; V84-F126 HydrophobicContact CB-CD1 4.33Å; V84-F126 HydrophobicContact CB-CD2 4.09Å; V84-F126 HydrophobicContact CB-CG 3.93Å; V84-F126 HydrophobicContact CG1-CD1 4.33Å; V84-F126 HydrophobicContact CG1-CD2 4Å; V84-F126 HydrophobicContact CG1-CE1 4.32Å; V84-F126 HydrophobicContact CG1-CE2 3.96Å; V84-F126 HydrophobicContact CG1-CG 4.16Å; V84-F126 HydrophobicContact CG1-CZ 4.12Å; V84-F126 HydrophobicContact CG2-CB 4.36Å; V84-F126 HydrophobicContact CG2-CD1 4.33Å; V84-F126 HydrophobicContact CG2-CG 4.3Å; D85-F126 WeakPolarHBondContact OD1-CB 3.44Å; D85-F126 PolarHBondContact OD1-N 3.15Å; S90-F126 VanDerWaalsContact CB-CD2 3.49Å; V91-F126 HydrophobicContact CG2-CD2 4.42Å; V91-F126 HydrophobicContact CG2-CE2 3.88Å; T121-F126 HydrophobicContact CG2-CB 3.89Å; T121-F126 HydrophobicContact CG2-CD1 3.71Å; T121-F126 HydrophobicContact CG2-CG 4.23Å; F126-E129 PolarHBondContact O-N 3.18Å; F126-C130 VanDerWaalsContact CE2-SG 3.58Å; F126-C130 PolarHBondContact O-N 2.72Å; F126-C130 PolarHBondContact O-SG 3.49Å; F126-W140 AromaticContact CD1-CD1 3.81Å; F126-C143 HydrophobicContact CE1-CB 3.83Å; F126-C143 HydrophobicContact CZ-CB 3.77Å; F126-F147 HydrophobicContact CD1-CE2 4.3Å; F126-F147 HydrophobicContact CD1-CZ 4.25Å; F126-F147 AromaticContact CE1-CE2 4Å; F126-F147 HydrophobicContact CE1-CE2 4Å; F126-F147 AromaticContact CE1-CZ 3.67Å; F126-F147 HydrophobicContact CE1-CZ 3.67Å; F126-F147 HydrophobicContact CZ-CZ 4.3Å
127Y98.3Very high97Very high62 Ų6248 Ų4824%0.24324%0.244CC..Hα-helixtrans-58.6-51.3173.9177.1-90.2000111.5T121 Q122 G125 E129 C130 L131 T137 W140T121-Y127 VanDerWaalsContact O-CB 3.23Å; T121-Y127 WeakPolarHBondContact O-CB 3.36Å; T121-Y127 PolarHBondContact O-N 2.87Å; Q122-Y127 HydrophobicContact CG-CD2 4.12Å; Q122-Y127 HydrophobicContact CG-CG 4.29Å; G125-Y127 PolarHBondContact O-N 3.14Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 2.84Å; Y127-C130 PolarHBondContact O-N 2.83Å; Y127-L131 PolarHBondContact O-N 2.9Å; Y127-T137 HydrophobicContact CE1-CG2 4.49Å; Y127-T137 HydrophobicContact CE2-CG2 3.69Å; Y127-T137 WeakPolarHBondContact OH-CG2 3.34Å; Y127-W140 AromaticContact CD2-CD2 3.53Å; Y127-W140 HydrophobicContact CD2-CD2 3.53Å; Y127-W140 AromaticContact CD2-CE2 3.66Å; Y127-W140 AromaticContact CD2-CE3 3.85Å; Y127-W140 HydrophobicContact CD2-CE3 3.85Å; Y127-W140 AromaticContact CD2-CG 3.84Å; Y127-W140 HydrophobicContact CD2-CG 3.84Å; Y127-W140 HydrophobicContact CD2-CH2 4.4Å; Y127-W140 HydrophobicContact CD2-CZ2 4.1Å; Y127-W140 HydrophobicContact CD2-CZ3 4.28Å; Y127-W140 AromaticContact CD2-NE1 3.98Å; Y127-W140 HydrophobicContact CE2-CD2 4.1Å; Y127-W140 AromaticContact CE2-CE3 3.92Å; Y127-W140 HydrophobicContact CE2-CE3 3.92Å; Y127-W140 HydrophobicContact CE2-CZ3 4.17Å
128D96.8Very high97Very high85 Ų8548.6 Ų48.646%0.45525%0.249SC..Hα-helixtrans-66.7-35.2179.8-73.3-23.1000112G125 L131 R132G125-D128 PolarHBondContact O-N 2.84Å; D128-L131 PolarHBondContact O-N 2.61Å; D128-R132 WeakPolarHBondContact O-CB 3.48Å; D128-R132 PolarHBondContact O-N 3.49Å
129E97.6Very high97Very high7 Ų745.6 Ų45.63%0.03324%0.238CC..Hα-helixtrans-60.8-48.4174.1-171.7-174.5150.600111.4Y89 S90 V91 G125 F126 Y127 R132 K133Y89-E129 WeakPolarHBondContact CA-OE1 3.29Å; S90-E129 WeakPolarHBondContact CB-OE2 3.49Å; S90-E129 VanDerWaalsContact N-CD 3.32Å; S90-E129 PolarHBondContact N-OE1 2.99Å; S90-E129 PolarHBondContact N-OE2 3.25Å; S90-E129 PolarHBondContact OG-OE2 2.89Å; V91-E129 VanDerWaalsContact CB-OE1 3.32Å; V91-E129 WeakPolarHBondContact CB-OE1 3.44Å; V91-E129 HydrophobicContact CG2-CG 3.98Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.16Å; V91-E129 PolarHBondContact N-OE1 3.09Å; G125-E129 WeakPolarHBondContact O-CB 3.44Å; G125-E129 PolarHBondContact O-N 2.75Å; F126-E129 PolarHBondContact O-N 3.18Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 2.84Å; E129-R132 PolarHBondContact O-N 3.2Å; E129-K133 HydrophobicContact CG-CD 3.95Å; E129-K133 WeakPolarHBondContact O-CB 3.48Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.76Å; E129-K133 WeakPolarHBondContact OE1-CE 3.43Å; E129-K133 IonicContact OE1-NZ 3.88Å; E129-K133 PolarHBondContact OE1-NZ 2.96Å
130C98.2Very high97.1Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-60.2-48.7176.9-70.20000111.4F126 Y127 R132 K133 Y134 W140F126-C130 VanDerWaalsContact CE2-SG 3.58Å; F126-C130 PolarHBondContact O-N 2.72Å; F126-C130 PolarHBondContact O-SG 3.49Å; Y127-C130 PolarHBondContact O-N 2.83Å; C130-R132 VanDerWaalsContact C-N 3.31Å; C130-R132 PolarHBondContact O-N 2.88Å; C130-K133 PolarHBondContact O-N 3.39Å; C130-Y134 PolarHBondContact O-N 3.16Å; C130-W140 HydrophobicContact CB-CB 3.78Å
131L97.4Very high97.2Very high71 Ų7148.4 Ų48.437%0.37224%0.243SC..Hα-helixtrans-58.8-43179-18061.1000111.6Y127 D128 G135 T137Y127-L131 PolarHBondContact O-N 2.9Å; D128-L131 PolarHBondContact O-N 2.61Å; L131-G135 WeakPolarHBondContact O-CA 3.32Å; L131-G135 PolarHBondContact O-N 3.36Å; L131-T137 HydrophobicContact CD1-CG2 4.26Å
132R96.9Very high97.2Very high136 Ų13650.6 Ų50.651%0.51325%0.252SS..Hα-helixtrans-68.3-41.1179.2178.1177.55684.4-3113D128 E129 C130D128-R132 WeakPolarHBondContact O-CB 3.48Å; D128-R132 PolarHBondContact O-N 3.49Å; E129-R132 PolarHBondContact O-N 3.2Å; C130-R132 VanDerWaalsContact C-N 3.31Å; C130-R132 PolarHBondContact O-N 2.88Å
133K96.9Very high97.3Very high38 Ų3845.8 Ų45.817%0.16523%0.229CC..Hα-helixtrans-79-32.5-175.5-72.9-178179.9175.40113I19 Y88 V91 E92 E129 C130I19-K133 HydrophobicContact CD1-CB 4.33Å; I19-K133 HydrophobicContact CG2-CD 4.02Å; Y88-K133 PolarHBondContact O-NZ 2.73Å; Y88-K133 VanDerWaalsContact O-NZ 3.14Å; V91-K133 HydrophobicContact CB-CD 4.14Å; V91-K133 HydrophobicContact CG1-CD 4.43Å; V91-K133 HydrophobicContact CG2-CD 4.18Å; E92-K133 WeakPolarHBondContact OE1-CE 3.41Å; E92-K133 IonicContact OE1-NZ 2.82Å; E92-K133 PolarHBondContact OE1-NZ 3.41Å; E92-K133 IonicContact OE2-NZ 3.99Å; E92-K133 PolarHBondContact OE2-NZ 3.36Å; E129-K133 HydrophobicContact CG-CD 3.95Å; E129-K133 WeakPolarHBondContact O-CB 3.48Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.76Å; E129-K133 WeakPolarHBondContact OE1-CE 3.43Å; E129-K133 IonicContact OE1-NZ 3.88Å; E129-K133 PolarHBondContact OE1-NZ 2.96Å; C130-K133 PolarHBondContact O-N 3.39Å
134Y97.6Very high97.5Very high38 Ų3841.5 Ų41.515%0.14920%0.203CC..Hα-helixtrans-111.7-11.6-175.6-66.6-86.8000114.5I19 I20 E22 V25 V91 C130 S136 V139I19-Y134 HydrophobicContact CD1-CE1 4.45Å; I20-Y134 VanDerWaalsContact O-CE1 3.25Å; I20-Y134 WeakPolarHBondContact O-CE1 3.12Å; I20-Y134 PolarHBondContact O-OH 3.08Å; E22-Y134 HydrophobicContact CB-CD1 4.22Å; V25-Y134 HydrophobicContact CG2-CE1 4.29Å; V91-Y134 HydrophobicContact CG1-CE2 3.69Å; V91-Y134 HydrophobicContact CG2-CE2 4.42Å; C130-Y134 PolarHBondContact O-N 3.16Å; Y134-S136 PolarHBondContact O-N 3.24Å; Y134-V139 HydrophobicContact CD1-CG2 3.65Å; Y134-V139 HydrophobicContact CD2-CB 3.86Å; Y134-V139 HydrophobicContact CD2-CG1 4.02Å; Y134-V139 HydrophobicContact CD2-CG2 3.67Å; Y134-V139 HydrophobicContact CE1-CG2 3.8Å; Y134-V139 HydrophobicContact CE2-CB 4.04Å; Y134-V139 HydrophobicContact CE2-CG1 3.73Å; Y134-V139 HydrophobicContact CE2-CG2 3.82Å; Y134-V139 HydrophobicContact CG-CB 4.2Å; Y134-V139 HydrophobicContact CG-CG2 3.58Å
135G97Very high97.7Very high64 Ų6442 Ų4266%0.6621%0.209SC*.SBendtrans72.65.2-175.700000114.1L131L131-G135 WeakPolarHBondContact O-CA 3.32Å; L131-G135 PolarHBondContact O-N 3.36Å
136S96.1Very high97.9Very high35 Ų3542.1 Ų42.125%0.24521%0.209CC..SBendtrans-147.7162.2-17992.90000110.6E22 Y134 A138E22-S136 PolarHBondContact OE2-OG 3.41Å; Y134-S136 PolarHBondContact O-N 3.24Å; S136-A138 VanDerWaalsContact C-N 3.29Å; S136-A138 WeakPolarHBondContact OG-CB 3.37Å; S136-A138 PolarHBondContact OG-N 2.97Å
137T96.9Very high98Very high27 Ų2742.1 Ų42.117%0.16621%0.209CC..SBendtrans-88.45.7174.657.30000113Y127 L131 V139 W140 R141Y127-T137 HydrophobicContact CE1-CG2 4.49Å; Y127-T137 HydrophobicContact CE2-CG2 3.69Å; Y127-T137 WeakPolarHBondContact OH-CG2 3.34Å; L131-T137 HydrophobicContact CD1-CG2 4.26Å; T137-V139 PolarHBondContact O-N 2.91Å; T137-W140 PolarHBondContact O-N 2.71Å; T137-R141 WeakPolarHBondContact O-CG 3.47Å; T137-R141 PolarHBondContact O-N 3.03Å
138A98.6Very high98Very high16 Ų1639.9 Ų39.913%0.13220%0.201CC..Hα-helixtrans-62-44.6-175.400000111.9E22 S136 W140 R141 Y142E22-A138 HydrophobicContact CG-CB 4.32Å; E22-A138 WeakPolarHBondContact OE1-CB 3.21Å; S136-A138 VanDerWaalsContact C-N 3.29Å; S136-A138 WeakPolarHBondContact OG-CB 3.37Å; S136-A138 PolarHBondContact OG-N 2.97Å; A138-W140 PolarHBondContact O-N 3.03Å; A138-R141 WeakPolarHBondContact O-CB 3.32Å; A138-R141 PolarHBondContact O-N 2.98Å; A138-Y142 HydrophobicContact CB-CE2 3.96Å; A138-Y142 VanDerWaalsContact O-CD2 3.22Å; A138-Y142 WeakPolarHBondContact O-CD2 3.49Å; A138-Y142 VanDerWaalsContact O-CG 3.23Å; A138-Y142 PolarHBondContact O-N 2.85Å
139V98.7Very high98.1Very high0 Ų038.5 Ų38.50%019%0.19CC..Hα-helixtrans-62-43.1177.4168.80000112.1E22 V25 Y134 T137 R141 Y142 C143E22-V139 HydrophobicContact CB-CG2 4.4Å; E22-V139 HydrophobicContact CG-CG2 3.98Å; V25-V139 HydrophobicContact CB-CG2 4.29Å; V25-V139 HydrophobicContact CG1-CG1 4.06Å; V25-V139 HydrophobicContact CG1-CG2 4.21Å; V25-V139 HydrophobicContact CG2-CG2 4.25Å; Y134-V139 HydrophobicContact CD1-CG2 3.65Å; Y134-V139 HydrophobicContact CD2-CB 3.86Å; Y134-V139 HydrophobicContact CD2-CG1 4.02Å; Y134-V139 HydrophobicContact CD2-CG2 3.67Å; Y134-V139 HydrophobicContact CE1-CG2 3.8Å; Y134-V139 HydrophobicContact CE2-CB 4.04Å; Y134-V139 HydrophobicContact CE2-CG1 3.73Å; Y134-V139 HydrophobicContact CE2-CG2 3.82Å; Y134-V139 HydrophobicContact CG-CB 4.2Å; Y134-V139 HydrophobicContact CG-CG2 3.58Å; T137-V139 PolarHBondContact O-N 2.91Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 2.79Å; V139-Y142 PolarHBondContact O-N 2.82Å; V139-C143 PolarHBondContact O-N 3.21Å; V139-C143 PolarHBondContact O-SG 3.43Å; V139-C143 VanDerWaalsContact O-SG 3.34Å
140W98.8Very high98.1Very high24 Ų2438.2 Ų38.29%0.09119%0.188CC..Hα-helixtrans-59.2-41.9175.1171.680000111.6R118 T121 Q122 F126 Y127 C130 T137 A138 C143 T144R118-W140 HydrophobicContact CB-CH2 4.34Å; R118-W140 HydrophobicContact CB-CZ2 3.9Å; R118-W140 HydrophobicContact CG-CH2 4.3Å; R118-W140 HydrophobicContact CG-CZ2 4.01Å; T121-W140 PolarHBondContact OG1-NE1 2.9Å; Q122-W140 HydrophobicContact CG-CH2 4.43Å; Q122-W140 HydrophobicContact CG-CZ2 3.88Å; F126-W140 AromaticContact CD1-CD1 3.81Å; Y127-W140 AromaticContact CD2-CD2 3.53Å; Y127-W140 HydrophobicContact CD2-CD2 3.53Å; Y127-W140 AromaticContact CD2-CE2 3.66Å; Y127-W140 AromaticContact CD2-CE3 3.85Å; Y127-W140 HydrophobicContact CD2-CE3 3.85Å; Y127-W140 AromaticContact CD2-CG 3.84Å; Y127-W140 HydrophobicContact CD2-CG 3.84Å; Y127-W140 HydrophobicContact CD2-CH2 4.4Å; Y127-W140 HydrophobicContact CD2-CZ2 4.1Å; Y127-W140 HydrophobicContact CD2-CZ3 4.28Å; Y127-W140 AromaticContact CD2-NE1 3.98Å; Y127-W140 HydrophobicContact CE2-CD2 4.1Å; Y127-W140 AromaticContact CE2-CE3 3.92Å; Y127-W140 HydrophobicContact CE2-CE3 3.92Å; Y127-W140 HydrophobicContact CE2-CZ3 4.17Å; C130-W140 HydrophobicContact CB-CB 3.78Å; T137-W140 PolarHBondContact O-N 2.71Å; A138-W140 PolarHBondContact O-N 3.03Å; W140-C143 PolarHBondContact O-N 3.42Å; W140-T144 HydrophobicContact CD2-CG2 4.27Å; W140-T144 HydrophobicContact CG-CG2 4.4Å; W140-T144 HydrophobicContact CZ2-CG2 4.18Å; W140-T144 WeakPolarHBondContact O-CB 3.2Å; W140-T144 WeakPolarHBondContact O-CG2 3.32Å; W140-T144 PolarHBondContact O-N 2.95Å; W140-T144 PolarHBondContact O-OG1 2.9Å
141R98.8Very high98.2Very high143 Ų14338.2 Ų38.254%0.5419%0.188SC..Hα-helixtrans-62.6-46.6175.4-69.1177.1179162.9-0.5111.9T137 A138 V139 C143 T144 E145T137-R141 WeakPolarHBondContact O-CG 3.47Å; T137-R141 PolarHBondContact O-N 3.03Å; A138-R141 WeakPolarHBondContact O-CB 3.32Å; A138-R141 PolarHBondContact O-N 2.98Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 2.79Å; R141-C143 PolarHBondContact O-N 2.98Å; R141-T144 WeakPolarHBondContact CA-OG1 3.19Å; R141-T144 PolarHBondContact O-N 3.43Å; R141-T144 PolarHBondContact O-OG1 3.17Å; R141-E145 WeakPolarHBondContact O-CB 3.35Å; R141-E145 WeakPolarHBondContact O-CG 3.34Å; R141-E145 PolarHBondContact O-N 2.77Å
142Y98.8Very high98.2Very high45 Ų4534.8 Ų34.818%0.17617%0.171CC..Hα-helixtrans-60.4-45.9177.8-56.2-35.6000111.7E22 V25 K26 A138 V139 E145 I146E22-Y142 HydrophobicContact CG-CE2 4.1Å; V25-Y142 HydrophobicContact CG1-CD2 4.36Å; K26-Y142 HydrophobicContact CB-CD2 3.99Å; K26-Y142 HydrophobicContact CB-CE2 3.72Å; K26-Y142 HydrophobicContact CD-CE1 4.23Å; K26-Y142 HydrophobicContact CD-CE2 4.36Å; K26-Y142 HydrophobicContact CG-CD1 4.46Å; K26-Y142 HydrophobicContact CG-CD2 4.47Å; K26-Y142 HydrophobicContact CG-CE1 4.06Å; K26-Y142 HydrophobicContact CG-CE2 4.09Å; A138-Y142 HydrophobicContact CB-CE2 3.96Å; A138-Y142 VanDerWaalsContact O-CD2 3.22Å; A138-Y142 WeakPolarHBondContact O-CD2 3.49Å; A138-Y142 VanDerWaalsContact O-CG 3.23Å; A138-Y142 PolarHBondContact O-N 2.85Å; V139-Y142 PolarHBondContact O-N 2.82Å; Y142-E145 PolarHBondContact O-N 3.28Å; Y142-I146 WeakPolarHBondContact O-CG1 3.36Å; Y142-I146 PolarHBondContact O-N 3.07Å
143C98.8Very high98.3Very high1 Ų128.3 Ų28.31%0.00715%0.146CC..Hα-helixtrans-66.3-44179-65.10000112.3F94 F126 V139 W140 R141 E145 I146 F147F94-C143 HydrophobicContact CD1-CB 4.06Å; F94-C143 HydrophobicContact CE1-CB 3.85Å; F126-C143 HydrophobicContact CE1-CB 3.83Å; F126-C143 HydrophobicContact CZ-CB 3.77Å; V139-C143 PolarHBondContact O-N 3.21Å; V139-C143 PolarHBondContact O-SG 3.43Å; V139-C143 VanDerWaalsContact O-SG 3.34Å; W140-C143 PolarHBondContact O-N 3.42Å; R141-C143 PolarHBondContact O-N 2.98Å; C143-E145 VanDerWaalsContact C-N 3.32Å; C143-E145 PolarHBondContact O-N 3.38Å; C143-I146 WeakPolarHBondContact O-CA 3.38Å; C143-I146 WeakPolarHBondContact O-CB 3.49Å; C143-I146 PolarHBondContact O-N 3.18Å; C143-F147 HydrophobicContact CB-CE1 4.35Å; C143-F147 HydrophobicContact CB-CZ 4.21Å; C143-F147 WeakPolarHBondContact O-CD1 3.2Å; C143-F147 WeakPolarHBondContact O-CG 3.46Å; C143-F147 PolarHBondContact O-N 2.83Å
144T98.8Very high98.4Very high2 Ų226.5 Ų26.51%0.01214%0.138CC..Hα-helixtrans-68.3-29.217951.60000113.3R118 W140 R141 I146 F147R118-T144 HydrophobicContact CG-CG2 3.85Å; R118-T144 PolarHBondContact NH2-O 2.75Å; W140-T144 HydrophobicContact CD2-CG2 4.27Å; W140-T144 HydrophobicContact CG-CG2 4.4Å; W140-T144 HydrophobicContact CZ2-CG2 4.18Å; W140-T144 WeakPolarHBondContact O-CB 3.2Å; W140-T144 WeakPolarHBondContact O-CG2 3.32Å; W140-T144 PolarHBondContact O-N 2.95Å; W140-T144 PolarHBondContact O-OG1 2.9Å; R141-T144 WeakPolarHBondContact CA-OG1 3.19Å; R141-T144 PolarHBondContact O-N 3.43Å; R141-T144 PolarHBondContact O-OG1 3.17Å; T144-I146 VanDerWaalsContact C-N 3.3Å; T144-F147 HydrophobicContact CG2-CD2 3.79Å; T144-F147 HydrophobicContact CG2-CE2 3.76Å; T144-F147 WeakPolarHBondContact O-CB 3.19Å; T144-F147 PolarHBondContact O-N 3.01Å
145E98.6Very high98.5Very high86 Ų8625.1 Ų25.140%0.40213%0.133SC..Hα-helixtrans-62.8-37.4167.1-76.9174-159.600111.9R141 Y142 C143 Y149R141-E145 WeakPolarHBondContact O-CB 3.35Å; R141-E145 WeakPolarHBondContact O-CG 3.34Å; R141-E145 PolarHBondContact O-N 2.77Å; Y142-E145 PolarHBondContact O-N 3.28Å; C143-E145 VanDerWaalsContact C-N 3.32Å; C143-E145 PolarHBondContact O-N 3.38Å; E145-Y149 WeakPolarHBondContact O-CD2 3.32Å; E145-Y149 WeakPolarHBondContact O-CE2 3.26Å
146I98.8Very high98.6Very high4 Ų422 Ų222%0.02110%0.102CC..Hα-helixtrans-71.5-34.4176.6-63.8-55.6000112.5C29 A32 R33 L36 F94 L98 Y142 C143 T144 D148 Y149 L150C29-I146 HydrophobicContact CB-CD1 3.9Å; C29-I146 HydrophobicContact CB-CG1 3.63Å; C29-I146 WeakPolarHBondContact O-CD1 3.32Å; A32-I146 HydrophobicContact CB-CD1 4.39Å; R33-I146 HydrophobicContact CB-CD1 3.85Å; L36-I146 HydrophobicContact CD1-CG2 3.77Å; F94-I146 HydrophobicContact CZ-CB 4.46Å; F94-I146 HydrophobicContact CZ-CG2 3.97Å; L98-I146 HydrophobicContact CD1-CG2 3.84Å; L98-I146 HydrophobicContact CD2-CG2 4.3Å; Y142-I146 WeakPolarHBondContact O-CG1 3.36Å; Y142-I146 PolarHBondContact O-N 3.07Å; C143-I146 WeakPolarHBondContact O-CA 3.38Å; C143-I146 WeakPolarHBondContact O-CB 3.49Å; C143-I146 PolarHBondContact O-N 3.18Å; T144-I146 VanDerWaalsContact C-N 3.3Å; I146-D148 PolarHBondContact O-N 3.45Å; I146-D148 VanDerWaalsContact O-N 3.16Å; I146-Y149 PolarHBondContact O-N 3.46Å; I146-L150 PolarHBondContact O-N 3.31Å
147F98.9Very high98.7Very high0 Ų023.1 Ų23.10%011%0.105CC..Hα-helixtrans-54.1-35.3176.1-63.7-14.4000112.4V84 F94 R112 E116 T121 F126 C143 T144 Y149 L150V84-F147 HydrophobicContact CG1-CZ 4.08Å; V84-F147 HydrophobicContact CG2-CE2 4.46Å; V84-F147 HydrophobicContact CG2-CZ 4.2Å; F94-F147 AromaticContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CZ 4.48Å; F94-F147 AromaticContact CD2-CE1 3.96Å; F94-F147 HydrophobicContact CD2-CE1 3.96Å; F94-F147 HydrophobicContact CE1-CD1 4.18Å; F94-F147 AromaticContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CZ 4.42Å; F94-F147 HydrophobicContact CE2-CD1 4.05Å; F94-F147 AromaticContact CE2-CE1 3.62Å; F94-F147 HydrophobicContact CE2-CE1 3.62Å; F94-F147 HydrophobicContact CG-CE1 4.1Å; F94-F147 AromaticContact CZ-CD1 3.71Å; F94-F147 HydrophobicContact CZ-CD1 3.71Å; F94-F147 AromaticContact CZ-CE1 3.39Å; F94-F147 HydrophobicContact CZ-CE1 3.39Å; R112-F147 WeakPolarHBondContact CD-O 3.5Å; R112-F147 VanDerWaalsContact CZ-O 3.28Å; R112-F147 PolarHBondContact NE-O 2.79Å; E116-F147 VanDerWaalsContact C-CD2 3.42Å; E116-F147 VanDerWaalsContact CA-CD2 3.5Å; E116-F147 HydrophobicContact CB-CB 3.89Å; E116-F147 HydrophobicContact CB-CD1 3.89Å; E116-F147 HydrophobicContact CB-CD2 3.82Å; E116-F147 HydrophobicContact CB-CE1 4.36Å; E116-F147 HydrophobicContact CB-CE2 4.32Å; E116-F147 HydrophobicContact CB-CG 3.6Å; E116-F147 HydrophobicContact CG-CD1 3.64Å; E116-F147 HydrophobicContact CG-CD2 4.21Å; E116-F147 HydrophobicContact CG-CE1 3.74Å; E116-F147 HydrophobicContact CG-CE2 4.32Å; E116-F147 HydrophobicContact CG-CG 3.9Å; E116-F147 HydrophobicContact CG-CZ 4.1Å; E116-F147 WeakPolarHBondContact O-CB 3.41Å; T121-F147 HydrophobicContact CG2-CE2 4.19Å; F126-F147 HydrophobicContact CD1-CE2 4.3Å; F126-F147 HydrophobicContact CD1-CZ 4.25Å; F126-F147 AromaticContact CE1-CE2 4Å; F126-F147 HydrophobicContact CE1-CE2 4Å; F126-F147 AromaticContact CE1-CZ 3.67Å; F126-F147 HydrophobicContact CE1-CZ 3.67Å; F126-F147 HydrophobicContact CZ-CZ 4.3Å; C143-F147 HydrophobicContact CB-CE1 4.35Å; C143-F147 HydrophobicContact CB-CZ 4.21Å; C143-F147 WeakPolarHBondContact O-CD1 3.2Å; C143-F147 WeakPolarHBondContact O-CG 3.46Å; C143-F147 PolarHBondContact O-N 2.83Å; T144-F147 HydrophobicContact CG2-CD2 3.79Å; T144-F147 HydrophobicContact CG2-CE2 3.76Å; T144-F147 WeakPolarHBondContact O-CB 3.19Å; T144-F147 PolarHBondContact O-N 3.01Å; F147-Y149 PolarHBondContact O-N 2.78Å; F147-L150 HydrophobicContact CD1-CD1 4.21Å; F147-L150 PolarHBondContact O-N 2.81Å
148D98.8Very high98.7Very high16 Ų1623.8 Ų23.89%0.08612%0.117CC..THydrogen-bonded Turntrans-66.1-19.8177.9-59.3-21.2000113.6R112 R118 I146 R182 K183 Q184R112-D148 IonicContact CZ-OD1 3.84Å; R112-D148 IonicContact NH1-OD1 3.89Å; R112-D148 IonicContact NH2-OD1 3.74Å; R112-D148 PolarHBondContact NH2-OD1 3.08Å; R118-D148 IonicContact CZ-OD1 2.81Å; R118-D148 IonicContact CZ-OD2 3.32Å; R118-D148 VanDerWaalsContact CZ-OD2 3.29Å; R118-D148 IonicContact NH1-OD1 3.78Å; R118-D148 PolarHBondContact NH1-OD1 2.84Å; R118-D148 IonicContact NH1-OD2 3.6Å; R118-D148 PolarHBondContact NH1-OD2 2.85Å; R118-D148 IonicContact NH2-OD1 3.71Å; R118-D148 IonicContact NH2-OD2 3.95Å; R118-D148 PolarHBondContact NH2-OD2 3.26Å; I146-D148 PolarHBondContact O-N 3.45Å; I146-D148 VanDerWaalsContact O-N 3.16Å; D148-R182 CarbonylContact O-C 3.54Å; D148-R182 VanDerWaalsContact O-O 3.08Å; D148-K183 WeakPolarHBondContact O-CA 3.43Å; D148-Q184 VanDerWaalsContact OD1-O 3.06Å
149Y98.8Very high98.7Very high56 Ų5625.5 Ų25.522%0.2212%0.122CC..THydrogen-bonded Turntrans-95.2-14.8179.7-68.1-100.6000113.2R33 V37 E145 I146 F147 S151 R182 K183R33-Y149 HydrophobicContact CG-CD1 3.98Å; R33-Y149 HydrophobicContact CG-CD2 4.25Å; R33-Y149 HydrophobicContact CG-CE1 3.67Å; R33-Y149 HydrophobicContact CG-CE2 3.99Å; R33-Y149 HydrophobicContact CG-CG 4.27Å; V37-Y149 HydrophobicContact CB-CD1 4.14Å; V37-Y149 HydrophobicContact CB-CE1 4.25Å; V37-Y149 HydrophobicContact CG2-CD1 4.36Å; V37-Y149 HydrophobicContact CG2-CE1 4.12Å; E145-Y149 WeakPolarHBondContact O-CD2 3.32Å; E145-Y149 WeakPolarHBondContact O-CE2 3.26Å; I146-Y149 PolarHBondContact O-N 3.46Å; F147-Y149 PolarHBondContact O-N 2.78Å; Y149-S151 PolarHBondContact O-N 3.25Å; Y149-R182 PolarHBondContact O-NE 3.45Å; Y149-R182 PolarHBondContact O-NH2 3.18Å; Y149-K183 HydrophobicContact CD1-CD 4.45Å; Y149-K183 HydrophobicContact CD1-CG 4.48Å; Y149-K183 HydrophobicContact CE1-CD 4.12Å; Y149-K183 HydrophobicContact CE1-CG 4.46Å
150L98.8Very high98.7Very high0 Ų025.8 Ų25.80%012%0.123CC..SBendtrans-59.3134.7178.3-67.9174.7000110.8L36 F83 L110 R112 E116 I146 F147 R182L36-L150 HydrophobicContact CD1-CD2 4.17Å; L36-L150 HydrophobicContact CD2-CD2 4.44Å; F83-L150 HydrophobicContact CE2-CD1 4.03Å; L110-L150 HydrophobicContact CB-CD2 3.89Å; R112-L150 HydrophobicContact CB-CB 3.77Å; R112-L150 HydrophobicContact CB-CD1 4.41Å; R112-L150 HydrophobicContact CG-CB 4.17Å; R112-L150 HydrophobicContact CG-CD1 4.28Å; E116-L150 HydrophobicContact CB-CD1 4.24Å; E116-L150 HydrophobicContact CG-CD1 3.93Å; I146-L150 PolarHBondContact O-N 3.31Å; F147-L150 HydrophobicContact CD1-CD1 4.21Å; F147-L150 PolarHBondContact O-N 2.81Å; L150-R182 WeakPolarHBondContact O-CD 3.42Å; L150-R182 PolarHBondContact O-NE 2.7Å
151S98.7Very high98.7Very high0 Ų024.7 Ų24.70%012%0.119CC..BIsolated β-bridgetrans-60.4147.5177.9-64.30000110.8E39 G40 Q43 I111 R112 Y149E39-S151 PolarHBondContact OE2-OG 2.7Å; G40-S151 PolarHBondContact O-OG 2.79Å; Q43-S151 VanDerWaalsContact CG-OG 3.22Å; Q43-S151 WeakPolarHBondContact CG-OG 3.3Å; Q43-S151 PolarHBondContact NE2-OG 2.94Å; I111-S151 CarbonylContact C-O 3.57Å; I111-S151 WeakPolarHBondContact CA-O 3.17Å; I111-S151 WeakPolarHBondContact CB-O 3.47Å; R112-S151 PolarHBondContact N-O 2.76Å; Y149-S151 PolarHBondContact O-N 3.25Å
152L98.9Very high98.7Very high0 Ų017.9 Ų17.90%09%0.093CC..SBendtrans-82.4-23.8-176.8-62.6179.6000112.9N41 I177 I180 R182 M192 L195N41-L152 HydrophobicContact CB-CD1 4.42Å; N41-L152 HydrophobicContact CB-CG 4.49Å; N41-L152 PolarHBondContact O-N 2.64Å; N41-L152 VanDerWaalsContact O-N 3.16Å; L152-I177 HydrophobicContact CB-CG2 4.39Å; L152-I180 HydrophobicContact CD1-CB 4.07Å; L152-I180 HydrophobicContact CD1-CD1 3.95Å; L152-I180 HydrophobicContact CD1-CG2 3.81Å; L152-R182 HydrophobicContact CD1-CB 3.99Å; L152-R182 HydrophobicContact CD2-CB 4.13Å; L152-R182 HydrophobicContact CG-CB 3.98Å; L152-M192 HydrophobicContact CD1-CG 4.24Å; L152-M192 HydrophobicContact CD2-CE 4.07Å; L152-M192 HydrophobicContact CD2-CG 4.04Å; L152-L195 HydrophobicContact CB-CD1 4.38Å; L152-L195 HydrophobicContact CD1-CD1 4.27Å
153S98.9Very high98.7Very high0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans-161.6170.9-17660.20000111N41 V42 Q43 F161 C162N41-S153 PolarHBondContact O-N 2.85Å; N41-S153 PolarHBondContact O-OG 3.21Å; N41-S153 VanDerWaalsContact O-OG 3.08Å; V42-S153 WeakPolarHBondContact CA-O 3.5Å; V42-S153 WeakPolarHBondContact CG2-OG 3.44Å; Q43-S153 PolarHBondContact N-O 3.14Å; S153-F161 VanDerWaalsContact CB-CE2 3.47Å; S153-C162 CarbonylContact C-O 3.52Å; S153-C162 WeakPolarHBondContact CA-O 3.23Å; S153-C162 WeakPolarHBondContact CB-O 3.18Å
154A98.9Very high98.7Very high0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans-134.9162.9170.800000111.1Q43 V45 L78 I111 C162Q43-A154 HydrophobicContact CB-CB 4.05Å; Q43-A154 CarbonylContact O-C 3.48Å; Q43-A154 WeakPolarHBondContact O-CA 3.08Å; V45-A154 HydrophobicContact CG2-CB 4.08Å; L78-A154 HydrophobicContact CD1-CB 3.72Å; L78-A154 HydrophobicContact CD2-CB 4.09Å; I111-A154 HydrophobicContact CG2-CB 4.28Å; A154-C162 HydrophobicContact CB-CB 4.18Å; A154-C162 PolarHBondContact N-O 2.83Å; A154-C162 PolarHBondContact O-N 3.09Å
155I98.8Very high98.7Very high8 Ų815.6 Ų15.64%0.0418%0.084CC..EExtended strand (participates in β ladder)trans-130.6115.3172.5-172.573.3000107.8V42 Q43 R44 V45 I160 F161 L174 I231V42-I155 HydrophobicContact CG1-CB 4.18Å; V42-I155 HydrophobicContact CG1-CG2 4.02Å; Q43-I155 PolarHBondContact O-N 2.9Å; R44-I155 HydrophobicContact CG-CG2 4.12Å; V45-I155 PolarHBondContact N-O 3.43Å; I155-I160 WeakPolarHBondContact CA-O 3.4Å; I155-F161 HydrophobicContact CD1-CB 4.2Å; I155-L174 HydrophobicContact CD1-CD1 4.37Å; I155-I231 HydrophobicContact CD1-CD1 4.08Å; I155-I231 HydrophobicContact CD1-CG1 4.03Å
156I98.8Very high98.7Very high0 Ų011.5 Ų11.50%07%0.065CC..EExtended strand (participates in β ladder)trans-89.8122.5179.4-52.1169.9000108.5V45 V49 V51 L78 G158 K159 I160 C162 L275 L279V45-I156 HydrophobicContact CB-CG1 4.16Å; V45-I156 HydrophobicContact CG1-CG1 4.35Å; V45-I156 VanDerWaalsContact O-CA 3.23Å; V45-I156 WeakPolarHBondContact O-CA 3.41Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.37Å; V49-I156 HydrophobicContact CG1-CG2 3.83Å; V51-I156 HydrophobicContact CG2-CD1 3.6Å; L78-I156 HydrophobicContact CD2-CD1 3.93Å; L78-I156 HydrophobicContact CD2-CG1 4.28Å; I156-G158 PolarHBondContact O-N 2.86Å; I156-K159 PolarHBondContact O-N 3.46Å; I156-I160 HydrophobicContact CB-CB 4.2Å; I156-I160 PolarHBondContact N-O 2.98Å; I156-I160 PolarHBondContact O-N 2.98Å; I156-I160 VanDerWaalsContact O-N 3.07Å; I156-C162 VanDerWaalsContact CD1-SG 3.53Å; I156-L275 HydrophobicContact CD1-CD1 3.64Å; I156-L275 HydrophobicContact CG2-CD1 4.09Å; I156-L279 HydrophobicContact CG2-CD2 4.11Å
157D98.3Very high98.7Very high57 Ų5711.4 Ų11.431%0.3057%0.065SC..THydrogen-bonded Turntrans49.325.9-179.3-67.1-12.7000114.6V45 D46 S47 K159 L279V45-D157 PolarHBondContact O-N 3.27Å; D46-D157 WeakPolarHBondContact CA-OD1 3.23Å; S47-D157 WeakPolarHBondContact CB-OD2 3.33Å; S47-D157 PolarHBondContact N-OD1 3.31Å; S47-D157 PolarHBondContact OG-OD2 3.4Å; D157-K159 PolarHBondContact O-N 3.3Å; D157-L279 HydrophobicContact CB-CD1 3.98Å; D157-L279 HydrophobicContact CB-CD2 4.15Å; D157-L279 HydrophobicContact CB-CG 4.39Å; D157-L279 VanDerWaalsContact OD2-CD2 3.22Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.46Å
158G97.9Very high98.7Very high42 Ų4211.5 Ų11.543%0.4337%0.065SC..THydrogen-bonded Turntrans71.50.7-174.800000115.1I156I156-G158 PolarHBondContact O-N 2.86Å
159K98.1Very high98.7Very high52 Ų5213 Ų1323%0.2268%0.076CC..THydrogen-bonded Turntrans-120-24.5-168.4-68.9-59.2-179.4-174.60115.9I156 D157 D230 I231 D232 L279I156-K159 PolarHBondContact O-N 3.46Å; D157-K159 PolarHBondContact O-N 3.3Å; K159-D230 PolarHBondContact NZ-O 3.41Å; K159-D230 IonicContact NZ-OD1 3.2Å; K159-D230 PolarHBondContact NZ-OD1 3.12Å; K159-D230 IonicContact NZ-OD2 3.39Å; K159-D230 PolarHBondContact NZ-OD2 2.81Å; K159-I231 VanDerWaalsContact O-CG2 3.26Å; K159-I231 WeakPolarHBondContact O-CG2 3.14Å; K159-D232 PolarHBondContact O-N 2.78Å; K159-L279 HydrophobicContact CB-CD1 4.16Å
160I98.8Very high98.6Very high6 Ų613.5 Ų13.53%0.0319%0.088CC..EExtended strand (participates in β ladder)trans-117.9111.9179.1-57.5173.9000109.2I155 I156 M233 C235 L275 L279I155-I160 WeakPolarHBondContact CA-O 3.4Å; I156-I160 HydrophobicContact CB-CB 4.2Å; I156-I160 PolarHBondContact N-O 2.98Å; I156-I160 PolarHBondContact O-N 2.98Å; I156-I160 VanDerWaalsContact O-N 3.07Å; I160-M233 WeakPolarHBondContact CA-O 3.25Å; I160-M233 HydrophobicContact CB-CG 4.4Å; I160-M233 HydrophobicContact CD1-CG 4.47Å; I160-M233 HydrophobicContact CD1-SD 4.37Å; I160-M233 HydrophobicContact CG1-CG 3.89Å; I160-M233 HydrophobicContact CG1-SD 4.42Å; I160-M233 HydrophobicContact CG2-CE 4.49Å; I160-M233 HydrophobicContact CG2-CG 4.07Å; I160-C235 HydrophobicContact CG2-CB 3.85Å; I160-L275 HydrophobicContact CD1-CD1 3.71Å; I160-L275 HydrophobicContact CD1-CD2 3.91Å; I160-L275 HydrophobicContact CD1-CG 4.5Å; I160-L279 HydrophobicContact CD1-CD2 4.21Å
161F98.9Very high98.6Very high0 Ų014 Ų140%09%0.09CC..EExtended strand (participates in β ladder)trans-83.8119.8177.8178.2-121.2000110.4S153 I155 V163 L167 L174 I177 L195 F225 I231 M233 I234 C235S153-F161 VanDerWaalsContact CB-CE2 3.47Å; I155-F161 HydrophobicContact CD1-CB 4.2Å; F161-V163 HydrophobicContact CD1-CG1 4.31Å; F161-V163 HydrophobicContact CE1-CB 3.85Å; F161-V163 HydrophobicContact CE1-CG1 3.77Å; F161-V163 HydrophobicContact CZ-CB 3.93Å; F161-V163 HydrophobicContact CZ-CG1 4.37Å; F161-V163 HydrophobicContact CZ-CG2 4.43Å; F161-L167 HydrophobicContact CE1-CD2 4.27Å; F161-L174 HydrophobicContact CD2-CD2 3.52Å; F161-L174 HydrophobicContact CE2-CD2 3.54Å; F161-L174 HydrophobicContact CG-CD2 4.23Å; F161-L174 HydrophobicContact CZ-CD2 4.27Å; F161-I177 HydrophobicContact CE2-CD1 3.79Å; F161-I177 HydrophobicContact CZ-CD1 3.52Å; F161-L195 HydrophobicContact CZ-CD2 4.42Å; F161-F225 AromaticContact CD1-CE1 3.93Å; F161-F225 HydrophobicContact CD1-CE1 3.93Å; F161-F225 HydrophobicContact CD1-CZ 4.4Å; F161-F225 HydrophobicContact CE1-CE1 4.26Å; F161-F225 HydrophobicContact CE1-CZ 4.31Å; F161-F225 HydrophobicContact CG-CE1 4.39Å; F161-I231 HydrophobicContact CB-CD1 3.64Å; F161-I231 HydrophobicContact CB-CG2 3.92Å; F161-I231 HydrophobicContact CG-CD1 4.21Å; F161-M233 PolarHBondContact N-O 3.14Å; F161-I234 HydrophobicContact CD1-CG1 4.24Å; F161-I234 HydrophobicContact CD1-CG2 4.13Å; F161-I234 CarbonylContact O-C 3.52Å; F161-I234 VanDerWaalsContact O-CA 3.3Å; F161-I234 WeakPolarHBondContact O-CA 3.5Å; F161-C235 PolarHBondContact O-N 2.92Å
162C98.9Very high98.6Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-107.1125.6-179.3-64.30000111.2L78 M80 S153 A154 I156 C235L78-C162 HydrophobicContact CD2-CB 3.52Å; L78-C162 WeakPolarHBondContact CD2-SG 3.45Å; M80-C162 HydrophobicContact SD-CB 4.32Å; S153-C162 CarbonylContact C-O 3.52Å; S153-C162 WeakPolarHBondContact CA-O 3.23Å; S153-C162 WeakPolarHBondContact CB-O 3.18Å; A154-C162 HydrophobicContact CB-CB 4.18Å; A154-C162 PolarHBondContact N-O 2.83Å; A154-C162 PolarHBondContact O-N 3.09Å; I156-C162 VanDerWaalsContact CD1-SG 3.53Å; C162-C235 VanDerWaalsContact CA-O 3.23Å; C162-C235 WeakPolarHBondContact CA-O 3.41Å
163V98.9Very high98.5Very high0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-147.8146.2179.865.50000109.3F161 L195 I234 C235 R236F161-V163 HydrophobicContact CD1-CG1 4.31Å; F161-V163 HydrophobicContact CE1-CB 3.85Å; F161-V163 HydrophobicContact CE1-CG1 3.77Å; F161-V163 HydrophobicContact CZ-CB 3.93Å; F161-V163 HydrophobicContact CZ-CG1 4.37Å; F161-V163 HydrophobicContact CZ-CG2 4.43Å; V163-L195 HydrophobicContact CG2-CB 4.1Å; V163-L195 HydrophobicContact CG2-CD2 3.9Å; V163-L195 WeakPolarHBondContact CG2-O 3Å; V163-I234 HydrophobicContact CG1-CG2 4.15Å; V163-C235 PolarHBondContact N-O 2.84Å; V163-C235 VanDerWaalsContact N-O 3.08Å; V163-R236 HydrophobicContact CG1-CB 4.39Å; V163-R236 WeakPolarHBondContact O-CA 3.32Å; V163-R236 WeakPolarHBondContact O-CB 3.33Å
164H98.9Very high98.5Very high0 Ų025.2 Ų25.20%014%0.139CC..SBendtrans-64.3-59.2-179.7177.571.8000112.5D54 M80 D82 R112 G113 N114 L196 R236 A237 H238D54-H164 IonicContact OD1-CE1 3.12Å; D54-H164 IonicContact OD2-CE1 2.64Å; M80-H164 VanDerWaalsContact O-CB 3.26Å; M80-H164 WeakPolarHBondContact O-CB 3.49Å; M80-H164 VanDerWaalsContact O-CG 3.29Å; M80-H164 PolarHBondContact O-ND1 2.85Å; D82-H164 IonicContact OD1-CE1 2.73Å; D82-H164 PolarHBondContact OD1-CE1 3.3Å; D82-H164 IonicContact OD1-NE2 2.84Å; D82-H164 PolarHBondContact OD1-NE2 3.08Å; D82-H164 IonicContact OD2-CE1 2.97Å; D82-H164 PolarHBondContact OD2-CE1 2.78Å; D82-H164 IonicContact OD2-NE2 3.05Å; D82-H164 PolarHBondContact OD2-NE2 2.79Å; R112-H164 WeakPolarHBondContact O-CB 3.44Å; G113-H164 VanDerWaalsContact CA-CD2 3.42Å; G113-H164 WeakPolarHBondContact CA-CD2 3.1Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å; N114-H164 PolarHBondContact N-CD2 3.03Å; N114-H164 VanDerWaalsContact N-CD2 3.3Å; N114-H164 PolarHBondContact N-NE2 2.89Å; N114-H164 PolarHBondContact OD1-NE2 3.25Å; H164-L196 HydrophobicContact CB-CD2 4.32Å; H164-L196 PolarHBondContact CD2-O 2.86Å; H164-L196 VanDerWaalsContact CD2-O 3.27Å; H164-R236 PolarHBondContact O-NE 3.02Å; H164-R236 PolarHBondContact O-NH2 3.47Å; H164-R236 VanDerWaalsContact O-NH2 3.12Å; H164-A237 CarbonylContact O-C 3.52Å; H164-A237 PolarHBondContact O-N 2.99Å; H164-H238 AromaticContact CD2-ND1 3.86Å; H164-H238 WeakPolarHBondContact NE2-CB 3.45Å; H164-H238 AromaticContact NE2-CG 3.68Å; H164-H238 AromaticContact NE2-ND1 3.22Å; H164-H238 PolarHBondContact NE2-ND1 2.91Å
165G98.8Very high98.4Very high0 Ų030 Ų300%016%0.164CC..SBendtrans-78.2-100.9177.100000111.4L195 S198 R236G165-L195 CarbonylContact C-O 3.56Å; G165-L195 WeakPolarHBondContact CA-O 3.36Å; G165-L195 PolarHBondContact N-O 3.39Å; G165-S198 CarbonylContact C-O 3.54Å; G165-R236 VanDerWaalsContact C-NH2 3.34Å; G165-R236 VanDerWaalsContact CA-NH2 3.26Å; G165-R236 VanDerWaalsContact O-CD 3.29Å; G165-R236 WeakPolarHBondContact O-CD 3.08Å; G165-R236 PolarHBondContact O-NE 3.46Å; G165-R236 PolarHBondContact O-NH2 3.16Å
166G98.4Very high98.4Very high0 Ų032.9 Ų32.90%018%0.177CC..  trans-171.1-150.8-175.300000113.3L195 S198G166-L195 PolarHBondContact N-O 3.48Å; G166-L195 WeakPolarHBondContact O-CA 3.4Å; G166-S198 PolarHBondContact N-O 3.17Å
167L98.8Very high98.4Very high3 Ų332.9 Ų32.92%0.01618%0.178CC..  trans-80.8160.7-176.9-60.4-178.8000112.1F161 S198 W206 F217 V221 V222 F225 I234F161-L167 HydrophobicContact CE1-CD2 4.27Å; L167-S198 VanDerWaalsContact O-CB 3.29Å; L167-S198 WeakPolarHBondContact O-CB 3.36Å; L167-S198 PolarHBondContact O-OG 3.26Å; L167-S198 VanDerWaalsContact O-OG 3.12Å; L167-W206 HydrophobicContact CB-CH2 3.64Å; L167-W206 HydrophobicContact CB-CZ3 4.21Å; L167-W206 WeakPolarHBondContact O-CZ3 3.22Å; L167-F217 HydrophobicContact CB-CD1 4.49Å; L167-F217 HydrophobicContact CB-CG 4.41Å; L167-F217 HydrophobicContact CD1-CD2 4.33Å; L167-F217 HydrophobicContact CG-CD2 4.49Å; L167-F217 HydrophobicContact CG-CE2 4.48Å; L167-V221 HydrophobicContact CD1-CG1 3.94Å; L167-V222 HydrophobicContact CD1-CG2 4.12Å; L167-F225 HydrophobicContact CD1-CB 3.85Å; L167-F225 HydrophobicContact CD1-CD1 4.43Å; L167-F225 HydrophobicContact CD1-CG 4.05Å; L167-F225 HydrophobicContact CD2-CD1 3.74Å; L167-F225 HydrophobicContact CD2-CD2 3.98Å; L167-F225 HydrophobicContact CD2-CE1 3.83Å; L167-F225 HydrophobicContact CD2-CE2 4.07Å; L167-F225 HydrophobicContact CD2-CG 3.81Å; L167-F225 HydrophobicContact CD2-CZ 3.99Å; L167-I234 HydrophobicContact CD1-CD1 3.79Å; L167-I234 HydrophobicContact CD2-CD1 3.7Å; L167-I234 HydrophobicContact CG-CD1 3.84Å
168S98.7Very high98.4Very high2 Ų235.3 Ų35.31%0.01418%0.183CC..  trans-120.4139.9174.2173.50000110.7S170 I171 D194 W206S168-S170 PolarHBondContact O-N 2.92Å; S168-S170 VanDerWaalsContact O-N 3.14Å; S168-S170 PolarHBondContact OG-N 3.32Å; S168-S170 VanDerWaalsContact OG-N 3.09Å; S168-I171 PolarHBondContact O-N 2.76Å; S168-D194 VanDerWaalsContact CB-CB 3.43Å; S168-D194 WeakPolarHBondContact CB-OD2 3.32Å; S168-D194 PolarHBondContact OG-OD2 2.96Å; S168-W206 WeakPolarHBondContact O-CH2 3.07Å
169P98.2Very high98.4Very high47 Ų4737.9 Ų37.931%0.30519%0.194SC..THydrogen-bonded Turntrans-62.4-18.4171.726-34.1000112.9W206 Y215P169-W206 VanDerWaalsContact CA-CZ2 3.41Å; P169-W206 HydrophobicContact CB-CD2 3.98Å; P169-W206 HydrophobicContact CB-CE3 4.43Å; P169-W206 HydrophobicContact CB-CG 4.35Å; P169-W206 HydrophobicContact CB-CH2 4.48Å; P169-W206 HydrophobicContact CB-CZ2 4.04Å; P169-W206 VanDerWaalsContact N-CH2 3.26Å; P169-Y215 VanDerWaalsContact CD-CD2 3.47Å; P169-Y215 HydrophobicContact CG-CD1 4.4Å; P169-Y215 HydrophobicContact CG-CD2 3.75Å; P169-Y215 HydrophobicContact CG-CE1 4.23Å; P169-Y215 HydrophobicContact CG-CE2 3.54Å; P169-Y215 HydrophobicContact CG-CG 4.18Å
170S97.9Very high98.4Very high67 Ų6736.7 Ų36.747%0.46919%0.19SC..THydrogen-bonded Turntrans-86.3-6.2177.6-56.70000113.4S168 Q176S168-S170 PolarHBondContact O-N 2.92Å; S168-S170 VanDerWaalsContact O-N 3.14Å; S168-S170 PolarHBondContact OG-N 3.32Å; S168-S170 VanDerWaalsContact OG-N 3.09Å; S170-Q176 PolarHBondContact O-NE2 3.28Å; S170-Q176 VanDerWaalsContact O-NE2 3.14Å
171I98.4Very high98.3Very high10 Ų1041.6 Ų41.65%0.05122%0.216CC..  trans-124.6108.7-172.6-55.8176.2000109.4S168 Q176 I177 I180 P191 L195 F225S168-I171 PolarHBondContact O-N 2.76Å; I171-Q176 HydrophobicContact CG2-CB 4.32Å; I171-I177 HydrophobicContact CD1-CG1 3.98Å; I171-I177 HydrophobicContact CG2-CD1 4.14Å; I171-I177 HydrophobicContact CG2-CG1 3.63Å; I171-I180 HydrophobicContact CD1-CD1 4.32Å; I171-P191 HydrophobicContact CD1-CB 3.62Å; I171-P191 HydrophobicContact CG1-CB 3.79Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.99Å; I171-L195 HydrophobicContact CD1-CG 3.8Å; I171-F225 HydrophobicContact CG2-CE2 4.29Å
172Q97.8Very high98.3Very high103 Ų10342.1 Ų42.148%0.48122%0.218SC..SBendtrans-102-29.9173.8-61.5178.624.200111.6N229Q172-N229 PolarHBondContact O-ND2 3.32Å
173Y98Very high98.2Very high116 Ų11646.6 Ų46.646%0.45524%0.237SC..SBendtrans-122.1144.1-177.3-53.2-85.6000111.6D175 Q176 T228 N229Y173-D175 PolarHBondContact O-N 2.86Å; Y173-D175 VanDerWaalsContact O-N 3.15Å; Y173-Q176 WeakPolarHBondContact O-CB 3.47Å; Y173-Q176 PolarHBondContact O-N 2.96Å; Y173-T228 HydrophobicContact CD1-CG2 3.53Å; Y173-T228 HydrophobicContact CE1-CG2 3.24Å; Y173-T228 HydrophobicContact CG-CG2 4.49Å; Y173-N229 VanDerWaalsContact CA-OD1 3.26Å; Y173-N229 WeakPolarHBondContact CA-OD1 3.38Å
174L97.9Very high98.2Very high16 Ų1650.6 Ų50.68%0.08426%0.256CS..Hα-helixtrans-55.2-31.8173.1-69.8176.7000112.6I155 F161 Q176 I177 R178 F225 N229 I231I155-L174 HydrophobicContact CD1-CD1 4.37Å; F161-L174 HydrophobicContact CD2-CD2 3.52Å; F161-L174 HydrophobicContact CE2-CD2 3.54Å; F161-L174 HydrophobicContact CG-CD2 4.23Å; F161-L174 HydrophobicContact CZ-CD2 4.27Å; L174-Q176 PolarHBondContact O-N 2.78Å; L174-I177 HydrophobicContact CD2-CD1 4.07Å; L174-I177 WeakPolarHBondContact O-CB 3.36Å; L174-I177 PolarHBondContact O-N 2.85Å; L174-I177 VanDerWaalsContact O-N 3.07Å; L174-R178 PolarHBondContact O-N 3.4Å; L174-F225 HydrophobicContact CD2-CE1 4.45Å; L174-F225 HydrophobicContact CD2-CZ 3.98Å; L174-N229 HydrophobicContact CD1-CB 4.36Å; L174-N229 HydrophobicContact CG-CB 4.22Å; L174-N229 PolarHBondContact N-OD1 2.86Å; L174-I231 HydrophobicContact CD1-CD1 3.78Å; L174-I231 HydrophobicContact CD2-CD1 4.04Å; L174-I231 HydrophobicContact CG-CD1 4.09Å
175D97.4Very high98.2Very high100 Ų10052.5 Ų52.554%0.53527%0.265SS..Hα-helixtrans-61.4-29.8177.3-77.8-31.8000113.3Y173 I177 R178 S179Y173-D175 PolarHBondContact O-N 2.86Å; Y173-D175 VanDerWaalsContact O-N 3.15Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 3.42Å; D175-R178 WeakPolarHBondContact O-CB 3.14Å; D175-R178 PolarHBondContact O-N 3.19Å; D175-R178 WeakPolarHBondContact OD1-CD 3.1Å; D175-R178 IonicContact OD1-CZ 3.47Å; D175-R178 IonicContact OD1-NE 3.26Å; D175-R178 IonicContact OD1-NH1 2.85Å; D175-R178 PolarHBondContact OD1-NH1 3.01Å; D175-S179 PolarHBondContact O-N 3.15Å
176Q98.6Very high98.1Very high69 Ų6952.9 Ų52.932%0.32227%0.267SS..Hα-helixtrans-67.1-36.3175.6-63.9174.7-83.400110.7S170 I171 Y173 L174 R178 S179S170-Q176 PolarHBondContact O-NE2 3.28Å; S170-Q176 VanDerWaalsContact O-NE2 3.14Å; I171-Q176 HydrophobicContact CG2-CB 4.32Å; Y173-Q176 WeakPolarHBondContact O-CB 3.47Å; Y173-Q176 PolarHBondContact O-N 2.96Å; L174-Q176 PolarHBondContact O-N 2.78Å; Q176-R178 VanDerWaalsContact C-N 3.32Å; Q176-R178 PolarHBondContact O-N 3.42Å; Q176-S179 PolarHBondContact O-N 2.71Å; Q176-S179 PolarHBondContact O-OG 3.15Å
177I98.7Very high98.1Very high1 Ų154.8 Ų54.81%0.00528%0.28CS..Hα-helixtrans-62.4-42.4173.9-52175.9000110N41 V42 L152 F161 I171 L174 D175 S179 I180 L195N41-I177 HydrophobicContact CB-CG2 4.16Å; N41-I177 WeakPolarHBondContact CB-O 2.97Å; N41-I177 PolarHBondContact ND2-O 2.97Å; V42-I177 HydrophobicContact CG2-CB 3.68Å; V42-I177 HydrophobicContact CG2-CD1 4.48Å; V42-I177 HydrophobicContact CG2-CG2 3.66Å; L152-I177 HydrophobicContact CB-CG2 4.39Å; F161-I177 HydrophobicContact CE2-CD1 3.79Å; F161-I177 HydrophobicContact CZ-CD1 3.52Å; I171-I177 HydrophobicContact CD1-CG1 3.98Å; I171-I177 HydrophobicContact CG2-CD1 4.14Å; I171-I177 HydrophobicContact CG2-CG1 3.63Å; L174-I177 HydrophobicContact CD2-CD1 4.07Å; L174-I177 WeakPolarHBondContact O-CB 3.36Å; L174-I177 PolarHBondContact O-N 2.85Å; L174-I177 VanDerWaalsContact O-N 3.07Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 3.42Å; I177-S179 PolarHBondContact O-N 3.21Å; I177-S179 VanDerWaalsContact O-N 3.15Å; I177-I180 HydrophobicContact CG2-CD1 4.4Å; I177-I180 PolarHBondContact O-N 3.47Å; I177-L195 HydrophobicContact CD1-CD2 4.05Å; I177-L195 HydrophobicContact CG1-CD1 4.28Å; I177-L195 HydrophobicContact CG1-CD2 4.49Å; I177-L195 HydrophobicContact CG2-CD1 3.89Å
178R97.9Very high97.9Very high108 Ų10861.1 Ų61.141%0.40831%0.309SS..Hα-helixtrans-59.3-25.7178.6-62.6178.2-180145.14113.3N41 V42 L174 D175 Q176N41-R178 PolarHBondContact ND2-O 2.88Å; V42-R178 HydrophobicContact CB-CG 4.2Å; V42-R178 HydrophobicContact CG2-CG 3.74Å; L174-R178 PolarHBondContact O-N 3.4Å; D175-R178 WeakPolarHBondContact O-CB 3.14Å; D175-R178 PolarHBondContact O-N 3.19Å; D175-R178 WeakPolarHBondContact OD1-CD 3.1Å; D175-R178 IonicContact OD1-CZ 3.47Å; D175-R178 IonicContact OD1-NE 3.26Å; D175-R178 IonicContact OD1-NH1 2.85Å; D175-R178 PolarHBondContact OD1-NH1 3.01Å; Q176-R178 VanDerWaalsContact C-N 3.32Å; Q176-R178 PolarHBondContact O-N 3.42Å
179S97.7Very high97.8Very high96 Ų9667 Ų6767%0.67134%0.34SS*.THydrogen-bonded Turntrans-88.3-10.2-178.273.80000115.1D175 Q176 I177 D181D175-S179 PolarHBondContact O-N 3.15Å; Q176-S179 PolarHBondContact O-N 2.71Å; Q176-S179 PolarHBondContact O-OG 3.15Å; I177-S179 PolarHBondContact O-N 3.21Å; I177-S179 VanDerWaalsContact O-N 3.15Å; S179-D181 PolarHBondContact O-N 3.31Å
180I98.4Very high97.7Very high27 Ų2765.9 Ų65.914%0.13834%0.337CS..SBendtrans-64.9131.6-179.6-63172.3000109.8N41 L152 I171 I177 R182 P191 M192 L195N41-I180 PolarHBondContact ND2-O 3.23Å; L152-I180 HydrophobicContact CD1-CB 4.07Å; L152-I180 HydrophobicContact CD1-CD1 3.95Å; L152-I180 HydrophobicContact CD1-CG2 3.81Å; I171-I180 HydrophobicContact CD1-CD1 4.32Å; I177-I180 HydrophobicContact CG2-CD1 4.4Å; I177-I180 PolarHBondContact O-N 3.47Å; I180-R182 PolarHBondContact O-N 3.26Å; I180-P191 HydrophobicContact CD1-CB 4.03Å; I180-P191 HydrophobicContact CD1-CG 4.39Å; I180-M192 HydrophobicContact CG2-CB 4.12Å; I180-M192 HydrophobicContact CG2-SD 4.49Å; I180-L195 HydrophobicContact CD1-CD1 3.86Å
181D97.9Very high97.8Very high108 Ų10864.9 Ų64.958%0.57833%0.329SS*.  trans-74.895165.8-174.95.2000109S179 K183 Q184S179-D181 PolarHBondContact O-N 3.31Å; D181-K183 VanDerWaalsContact C-N 3.34Å; D181-K183 PolarHBondContact OD1-N 3.01Å; D181-Q184 PolarHBondContact O-NE2 3.29Å
182R98.1Very high97.8Very high11 Ų1164.6 Ų64.64%0.04233%0.328CS..  trans-79.7-14.9-175.672.8168.6-171.6-87.92.7114.2L36 E39 G40 N41 D148 Y149 L150 L152 I180 Q184L36-R182 PolarHBondContact O-NH2 3.03Å; E39-R182 PolarHBondContact O-NH1 3Å; E39-R182 PolarHBondContact O-NH2 2.97Å; G40-R182 VanDerWaalsContact C-NH1 3.34Å; N41-R182 WeakPolarHBondContact OD1-CD 3.44Å; N41-R182 WeakPolarHBondContact OD1-CG 3.45Å; N41-R182 PolarHBondContact OD1-NH1 3.34Å; D148-R182 CarbonylContact O-C 3.54Å; D148-R182 VanDerWaalsContact O-O 3.08Å; Y149-R182 PolarHBondContact O-NE 3.45Å; Y149-R182 PolarHBondContact O-NH2 3.18Å; L150-R182 WeakPolarHBondContact O-CD 3.42Å; L150-R182 PolarHBondContact O-NE 2.7Å; L152-R182 HydrophobicContact CD1-CB 3.99Å; L152-R182 HydrophobicContact CD2-CB 4.13Å; L152-R182 HydrophobicContact CG-CB 3.98Å; I180-R182 PolarHBondContact O-N 3.26Å; R182-Q184 PolarHBondContact O-N 3.47Å
183K97.7Very high97.8Very high95 Ų9559.7 Ų59.741%0.41331%0.305SS..SBendtrans-80.252.6-169.2-65.6174.4-175.4167.80112D148 Y149 D181D148-K183 WeakPolarHBondContact O-CA 3.43Å; Y149-K183 HydrophobicContact CD1-CD 4.45Å; Y149-K183 HydrophobicContact CD1-CG 4.48Å; Y149-K183 HydrophobicContact CE1-CD 4.12Å; Y149-K183 HydrophobicContact CE1-CG 4.46Å; D181-K183 VanDerWaalsContact C-N 3.34Å; D181-K183 PolarHBondContact OD1-N 3.01Å
184Q98Very high97.9Very high83 Ų8354.4 Ų54.439%0.38828%0.284SS..SBendtrans-151167.8-177.859.4-177.6-48.800110.1R112 D148 D181 R182 M192R112-Q184 PolarHBondContact NH1-O 3.45Å; D148-Q184 VanDerWaalsContact OD1-O 3.06Å; D181-Q184 PolarHBondContact O-NE2 3.29Å; R182-Q184 PolarHBondContact O-N 3.47Å; Q184-M192 HydrophobicContact CG-SD 4.32Å
185E98.3Very high97.9Very high40 Ų4053.7 Ų53.719%0.18728%0.281CS..PPolyproline II helixtrans-57.9144.1166.5-176.159-157.500110.3S117 R118 Q119 P187S117-E185 WeakPolarHBondContact CA-OE1 3.41Å; S117-E185 WeakPolarHBondContact CB-OE1 2.96Å; S117-E185 PolarHBondContact OG-OE1 3.33Å; R118-E185 WeakPolarHBondContact CB-OE2 2.78Å; R118-E185 WeakPolarHBondContact CD-OE2 3.44Å; R118-E185 VanDerWaalsContact CG-OE2 3.23Å; R118-E185 WeakPolarHBondContact CG-OE2 2.94Å; R118-E185 IonicContact CZ-OE2 3.23Å; R118-E185 PolarHBondContact N-OE1 2.97Å; R118-E185 PolarHBondContact N-OE2 2.88Å; R118-E185 VanDerWaalsContact N-OE2 3.15Å; R118-E185 IonicContact NE-OE2 3.54Å; R118-E185 IonicContact NH1-OE2 3.54Å; R118-E185 PolarHBondContact NH1-OE2 2.86Å; Q119-E185 PolarHBondContact N-OE1 2.75Å; E185-P187 VanDerWaalsContact O-CD 3.23Å; E185-P187 WeakPolarHBondContact O-CD 3.26Å; E185-P187 VanDerWaalsContact O-N 3.17Å
186V98Very high98Very high8 Ų849 Ų495%0.04826%0.255CS..PPolyproline II helixtrans-58.2120176.9-176.30000109.2M192 L196V186-M192 HydrophobicContact CG2-CE 4.16Å; V186-L196 HydrophobicContact CB-CD1 4.48Å; V186-L196 HydrophobicContact CG1-CD1 3.92Å; V186-L196 HydrophobicContact CG2-CD1 3.66Å
187P97.6Very high98Very high41 Ų4147.7 Ų47.727%0.26625%0.248SC..PPolyproline II helixtrans-65.6161.7176.8-20.933.7000111.9E185 D189 C193E185-P187 VanDerWaalsContact O-CD 3.23Å; E185-P187 WeakPolarHBondContact O-CD 3.26Å; E185-P187 VanDerWaalsContact O-N 3.17Å; P187-D189 VanDerWaalsContact C-N 3.29Å; P187-D189 WeakPolarHBondContact CB-O 3.39Å; P187-D189 PolarHBondContact O-N 3.33Å; P187-C193 WeakPolarHBondContact O-CB 3.19Å
188H94.1Very high98Very high135 Ų13547.6 Ų47.663%0.62525%0.247SC*.SBendtrans-73.3-21.5176.3-65.6-74.5000113.2Q119 C193Q119-H188 PolarHBondContact NE2-CE1 2.9Å; Q119-H188 PolarHBondContact NE2-NE2 2.65Å; Q119-H188 PolarHBondContact OE1-CE1 3.06Å; H188-C193 PolarHBondContact O-SG 2.83Å; H188-C193 VanDerWaalsContact O-SG 3.32Å
189D96.5Very high98Very high125 Ų12542.7 Ų42.767%0.66823%0.229SC*.SBendtrans-143.9176.1179.965.3-1.2000112.2P187P187-D189 VanDerWaalsContact C-N 3.29Å; P187-D189 WeakPolarHBondContact CB-O 3.39Å; P187-D189 PolarHBondContact O-N 3.33Å
190G97.9Very high98.1Very high24 Ų2438.3 Ų38.325%0.24720%0.198CC..SBendtrans85.5-178.2175.900000114.6M192 C193 D194G190-M192 VanDerWaalsContact C-N 3.31Å; G190-M192 PolarHBondContact O-N 3.45Å; G190-M192 VanDerWaalsContact O-N 3.17Å; G190-C193 WeakPolarHBondContact O-CB 3.35Å; G190-C193 PolarHBondContact O-N 2.87Å; G190-D194 PolarHBondContact O-N 2.87Å
191P98.3Very high98Very high46 Ų4641.2 Ų41.230%0.29921%0.211SC..Hα-helixtrans-60.9-35.3-163.521.6-33.8000114.1I171 I180 L195I171-P191 HydrophobicContact CD1-CB 3.62Å; I171-P191 HydrophobicContact CG1-CB 3.79Å; I180-P191 HydrophobicContact CD1-CB 4.03Å; I180-P191 HydrophobicContact CD1-CG 4.39Å; P191-L195 VanDerWaalsContact O-CG 3.23Å; P191-L195 WeakPolarHBondContact O-CG 3.23Å; P191-L195 PolarHBondContact O-N 2.94Å; P191-L195 VanDerWaalsContact O-N 3.13Å
192M98.7Very high97.9Very high5 Ų542.6 Ų42.63%0.02522%0.219CC..Hα-helixtrans-70-41177.2-175.3178.7171.300111.9L152 I180 Q184 V186 G190 L196L152-M192 HydrophobicContact CD1-CG 4.24Å; L152-M192 HydrophobicContact CD2-CE 4.07Å; L152-M192 HydrophobicContact CD2-CG 4.04Å; I180-M192 HydrophobicContact CG2-CB 4.12Å; I180-M192 HydrophobicContact CG2-SD 4.49Å; Q184-M192 HydrophobicContact CG-SD 4.32Å; V186-M192 HydrophobicContact CG2-CE 4.16Å; G190-M192 VanDerWaalsContact C-N 3.31Å; G190-M192 PolarHBondContact O-N 3.45Å; G190-M192 VanDerWaalsContact O-N 3.17Å; M192-L196 WeakPolarHBondContact O-CG 3.33Å
193C98.7Very high97.7Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-61.1-50.4174.3-179.60000110.1P187 H188 G190 L195 L196 W197P187-C193 WeakPolarHBondContact O-CB 3.19Å; H188-C193 PolarHBondContact O-SG 2.83Å; H188-C193 VanDerWaalsContact O-SG 3.32Å; G190-C193 WeakPolarHBondContact O-CB 3.35Å; G190-C193 PolarHBondContact O-N 2.87Å; C193-L195 VanDerWaalsContact C-N 3.34Å; C193-L195 PolarHBondContact O-N 3.27Å; C193-L196 PolarHBondContact O-N 3.07Å; C193-W197 WeakPolarHBondContact O-CB 3.23Å; C193-W197 VanDerWaalsContact O-CD1 3.28Å; C193-W197 PolarHBondContact O-N 2.78Å
194D98.8Very high97.6Very high4 Ų446.3 Ų46.32%0.02125%0.246CC..Hα-helixtrans-58.9-42.3-177-61.6-20.1000113S168 G190 L196 W197 S198 Y215S168-D194 VanDerWaalsContact CB-CB 3.43Å; S168-D194 WeakPolarHBondContact CB-OD2 3.32Å; S168-D194 PolarHBondContact OG-OD2 2.96Å; G190-D194 PolarHBondContact O-N 2.87Å; D194-L196 PolarHBondContact O-N 2.95Å; D194-W197 PolarHBondContact O-N 3.42Å; D194-S198 WeakPolarHBondContact O-CB 3.29Å; D194-S198 PolarHBondContact O-N 2.85Å; D194-S198 PolarHBondContact O-OG 2.88Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.34Å; D194-Y215 VanDerWaalsContact OD1-CE2 3.3Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.24Å
195L98.9Very high97.6Very high2 Ų243 Ų431%0.0124%0.235CC..Hα-helixtrans-59.3-30.5176.8-74.1168.1000112.3L152 F161 V163 G165 G166 I171 I177 I180 P191 C193L152-L195 HydrophobicContact CB-CD1 4.38Å; L152-L195 HydrophobicContact CD1-CD1 4.27Å; F161-L195 HydrophobicContact CZ-CD2 4.42Å; V163-L195 HydrophobicContact CG2-CB 4.1Å; V163-L195 HydrophobicContact CG2-CD2 3.9Å; V163-L195 WeakPolarHBondContact CG2-O 3Å; G165-L195 CarbonylContact C-O 3.56Å; G165-L195 WeakPolarHBondContact CA-O 3.36Å; G165-L195 PolarHBondContact N-O 3.39Å; G166-L195 PolarHBondContact N-O 3.48Å; G166-L195 WeakPolarHBondContact O-CA 3.4Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.99Å; I171-L195 HydrophobicContact CD1-CG 3.8Å; I177-L195 HydrophobicContact CD1-CD2 4.05Å; I177-L195 HydrophobicContact CG1-CD1 4.28Å; I177-L195 HydrophobicContact CG1-CD2 4.49Å; I177-L195 HydrophobicContact CG2-CD1 3.89Å; I180-L195 HydrophobicContact CD1-CD1 3.86Å; P191-L195 VanDerWaalsContact O-CG 3.23Å; P191-L195 WeakPolarHBondContact O-CG 3.23Å; P191-L195 PolarHBondContact O-N 2.94Å; P191-L195 VanDerWaalsContact O-N 3.13Å; C193-L195 VanDerWaalsContact C-N 3.34Å; C193-L195 PolarHBondContact O-N 3.27Å
196L98.8Very high97.6Very high0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-94.8-19.2-177.7-57.3-177.7000113.2R112 N114 H164 V186 M192 C193 D194R112-L196 HydrophobicContact CB-CD2 4.35Å; R112-L196 HydrophobicContact CG-CD1 4.43Å; R112-L196 WeakPolarHBondContact O-CD2 3.35Å; N114-L196 HydrophobicContact CB-CB 4.13Å; H164-L196 HydrophobicContact CB-CD2 4.32Å; H164-L196 PolarHBondContact CD2-O 2.86Å; H164-L196 VanDerWaalsContact CD2-O 3.27Å; V186-L196 HydrophobicContact CB-CD1 4.48Å; V186-L196 HydrophobicContact CG1-CD1 3.92Å; V186-L196 HydrophobicContact CG2-CD1 3.66Å; M192-L196 WeakPolarHBondContact O-CG 3.33Å; C193-L196 PolarHBondContact O-N 3.07Å; D194-L196 PolarHBondContact O-N 2.95Å
197W98.8Very high97.6Very high42 Ų4246 Ų4616%0.15925%0.249CC..Hα-helixtrans-121.8-12.9-169.6-74.893.5000116N114 I120 C193 D194 R211 A213N114-W197 HydrophobicContact CB-CD2 3.97Å; N114-W197 HydrophobicContact CB-CG 4.31Å; N114-W197 HydrophobicContact CB-CH2 4.49Å; N114-W197 HydrophobicContact CB-CZ2 3.8Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.49Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.28Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.27Å; I120-W197 HydrophobicContact CD1-CH2 3.97Å; I120-W197 HydrophobicContact CD1-CZ2 3.78Å; I120-W197 HydrophobicContact CG1-CZ2 4.14Å; C193-W197 WeakPolarHBondContact O-CB 3.23Å; C193-W197 VanDerWaalsContact O-CD1 3.28Å; C193-W197 PolarHBondContact O-N 2.78Å; D194-W197 PolarHBondContact O-N 3.42Å; W197-R211 HydrophobicContact CE3-CB 4.1Å; W197-R211 HydrophobicContact CZ3-CB 4.31Å; W197-A213 HydrophobicContact CB-CB 4.12Å; W197-A213 HydrophobicContact CD2-CB 3.84Å; W197-A213 HydrophobicContact CE3-CB 4.17Å; W197-A213 HydrophobicContact CG-CB 3.83Å
198S98.8Very high97.6Very high0 Ų050.2 Ų50.20%027%0.273CS..  trans-77.1152-173.4-58.60000113.1G165 G166 L167 D194 Y215 R236G165-S198 CarbonylContact C-O 3.54Å; G166-S198 PolarHBondContact N-O 3.17Å; L167-S198 VanDerWaalsContact O-CB 3.29Å; L167-S198 WeakPolarHBondContact O-CB 3.36Å; L167-S198 PolarHBondContact O-OG 3.26Å; L167-S198 VanDerWaalsContact O-OG 3.12Å; D194-S198 WeakPolarHBondContact O-CB 3.29Å; D194-S198 PolarHBondContact O-N 2.85Å; D194-S198 PolarHBondContact O-OG 2.88Å; S198-Y215 CarbonylContact C-O 3.55Å; S198-Y215 WeakPolarHBondContact CA-O 3.37Å; S198-Y215 WeakPolarHBondContact CB-O 3.19Å; S198-Y215 PolarHBondContact OG-N 3.27Å; S198-R236 PolarHBondContact O-NH2 2.96Å
199D98.8Very high97.7Very high5 Ų544 Ų443%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-130.2142.3-175.1-77.8-32.2000113.1R211 Y215 L216 F217 R236 H238 Q239D199-R211 IonicContact OD1-NE 2.76Å; D199-R211 IonicContact OD1-NH2 3.32Å; D199-R211 PolarHBondContact OD1-NH2 3.23Å; D199-R211 IonicContact OD2-CZ 3.87Å; D199-R211 IonicContact OD2-NE 3.29Å; D199-R211 PolarHBondContact OD2-NE 2.87Å; D199-R211 IonicContact OD2-NH2 2.81Å; D199-R211 PolarHBondContact OD2-NH2 2.94Å; D199-Y215 PolarHBondContact N-O 3.31Å; D199-L216 HydrophobicContact CB-CD2 3.91Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.27Å; D199-L216 WeakPolarHBondContact O-CA 3.23Å; D199-F217 VanDerWaalsContact C-CD1 3.45Å; D199-F217 WeakPolarHBondContact O-CD1 3.32Å; D199-F217 WeakPolarHBondContact O-CE1 3.42Å; D199-F217 PolarHBondContact O-N 2.81Å; D199-R236 IonicContact OD1-CZ 3.87Å; D199-R236 IonicContact OD1-NH1 2.83Å; D199-R236 PolarHBondContact OD1-NH1 3.32Å; D199-R236 IonicContact OD1-NH2 2.61Å; D199-R236 PolarHBondContact OD1-NH2 3.35Å; D199-H238 IonicContact OD1-CD2 3.54Å; D199-H238 PolarHBondContact OD1-CD2 2.99Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.21Å; D199-Q239 PolarHBondContact OD1-NE2 2.88Å; D199-Q239 PolarHBondContact OD2-NE2 2.82Å
200P98.4Very high97.6Very high4 Ų443.5 Ų43.53%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-69.4138.916730.1-33.8000110.6F217 R236 H248 F249 V253P200-F217 WeakPolarHBondContact CA-O 3.09Å; P200-F217 HydrophobicContact CB-CD2 4.47Å; P200-F217 HydrophobicContact CB-CE1 4.48Å; P200-F217 HydrophobicContact CB-CE2 3.84Å; P200-F217 HydrophobicContact CB-CZ 3.84Å; P200-F217 HydrophobicContact CG-CZ 4.26Å; P200-F217 VanDerWaalsContact N-CE1 3.32Å; P200-R236 VanDerWaalsContact CD-NH1 3.34Å; P200-H248 HydrophobicContact CB-CB 4.43Å; P200-F249 HydrophobicContact CB-CE2 3.58Å; P200-F249 HydrophobicContact CB-CZ 3.75Å; P200-V253 HydrophobicContact CG-CG1 4.49Å
201E97.2Very high97.4Very high88 Ų8847 Ų4741%0.41125%0.254SS..  trans-142.9149.1175.2-176.863-92.400111.1Q203 L216 F217 F249E201-Q203 HydrophobicContact CB-CG 4.03Å; E201-Q203 HydrophobicContact CG-CG 4.09Å; E201-Q203 PolarHBondContact O-N 3.15Å; E201-L216 HydrophobicContact CB-CB 4.04Å; E201-L216 HydrophobicContact CB-CD1 4.25Å; E201-L216 HydrophobicContact CB-CD2 4.36Å; E201-L216 HydrophobicContact CB-CG 4.44Å; E201-L216 HydrophobicContact CG-CD1 4.15Å; E201-F217 PolarHBondContact N-O 2.88Å; E201-F217 VanDerWaalsContact N-O 3.12Å; E201-F249 WeakPolarHBondContact O-CE1 3.4Å; E201-F249 VanDerWaalsContact O-CZ 3.23Å; E201-F249 WeakPolarHBondContact O-CZ 3.48Å
202D95Very high97.3Very high136 Ų13648.3 Ų48.373%0.72728%0.276SS*.SBendtrans-74.364.5178.4-75.3-32.1000111.8
203Q94Very high97.1Very high61 Ų6149 Ų4929%0.28528%0.283SS..SBendtrans-136.1172.9177.261.3169.740.300110.9E201 W206 G207 L216 G218E201-Q203 HydrophobicContact CB-CG 4.03Å; E201-Q203 HydrophobicContact CG-CG 4.09Å; E201-Q203 PolarHBondContact O-N 3.15Å; Q203-W206 VanDerWaalsContact NE2-C 3.31Å; Q203-G207 VanDerWaalsContact NE2-CA 3.33Å; Q203-L216 PolarHBondContact NE2-O 3.41Å; Q203-G218 WeakPolarHBondContact O-CA 3.37Å
204T96.6Very high97.1Very high123 Ų12349.6 Ų49.676%0.75529%0.289SS*.SBendtrans-98.1135.6172.3-54.40000110.2
205G98.1Very high97.1Very high14 Ų1453.7 Ų53.714%0.14431%0.305CS..SBendtrans69.4-146.1177.600000113.3G218 D220G205-G218 PolarHBondContact O-N 2.85Å; G205-D220 WeakPolarHBondContact CA-OD2 3.44Å; G205-D220 PolarHBondContact N-OD1 2.72Å; G205-D220 PolarHBondContact N-OD2 2.97Å; G205-D220 VanDerWaalsContact N-OD2 3.13Å
206W98.4Very high97.1Very high97 Ų9754.5 Ų54.537%0.36731%0.309SS..EExtended strand (participates in β ladder)trans-99.6145.8-178-60.197000111.8L167 S168 P169 Q203 Y215 L216 F217 V221L167-W206 HydrophobicContact CB-CH2 3.64Å; L167-W206 HydrophobicContact CB-CZ3 4.21Å; L167-W206 WeakPolarHBondContact O-CZ3 3.22Å; S168-W206 WeakPolarHBondContact O-CH2 3.07Å; P169-W206 VanDerWaalsContact CA-CZ2 3.41Å; P169-W206 HydrophobicContact CB-CD2 3.98Å; P169-W206 HydrophobicContact CB-CE3 4.43Å; P169-W206 HydrophobicContact CB-CG 4.35Å; P169-W206 HydrophobicContact CB-CH2 4.48Å; P169-W206 HydrophobicContact CB-CZ2 4.04Å; P169-W206 VanDerWaalsContact N-CH2 3.26Å; Q203-W206 VanDerWaalsContact NE2-C 3.31Å; W206-Y215 HydrophobicContact CE3-CG 4.32Å; W206-L216 CarbonylContact C-O 3.55Å; W206-L216 VanDerWaalsContact CA-O 3.32Å; W206-L216 WeakPolarHBondContact CA-O 3.31Å; W206-F217 HydrophobicContact CE3-CB 3.84Å; W206-F217 HydrophobicContact CH2-CB 4.31Å; W206-F217 HydrophobicContact CZ3-CB 3.65Å; W206-F217 HydrophobicContact CZ3-CG 4.49Å; W206-V221 HydrophobicContact CD2-CG1 4.38Å; W206-V221 HydrophobicContact CD2-CG2 4.3Å; W206-V221 HydrophobicContact CG-CG2 4.47Å; W206-V221 HydrophobicContact CH2-CG1 3.59Å; W206-V221 HydrophobicContact CZ2-CB 4.45Å; W206-V221 HydrophobicContact CZ2-CG1 3.21Å; W206-V221 HydrophobicContact CZ2-CG2 4.42Å; W206-V221 HydrophobicContact CZ3-CG1 4.31Å
207G97.8Very high97.1Very high15 Ų1554.5 Ų54.516%0.15531%0.309CS..EExtended strand (participates in β ladder)trans-134.9163.4175.200000111.6Q203 Y215 L216Q203-G207 VanDerWaalsContact NE2-CA 3.33Å; G207-Y215 WeakPolarHBondContact O-CA 3.12Å; G207-Y215 WeakPolarHBondContact O-CD1 3.17Å; G207-L216 PolarHBondContact N-O 3.47Å; G207-L216 PolarHBondContact O-N 3.03Å
208V96.3Very high97.1Very high129 Ų12952.5 Ų52.578%0.78230%0.301SS*.EExtended strand (participates in β ladder)trans-74.9127.6177.3179.20000109.1
209S96.7Very high97.1Very high5 Ų555.1 Ų55.14%0.03532%0.32CS..  trans-68.8131.4176.7176.40000111.3R211 G212 A213 G214S209-R211 PolarHBondContact O-N 2.87Å; S209-R211 WeakPolarHBondContact OG-CB 3.26Å; S209-R211 WeakPolarHBondContact OG-CG 3.42Å; S209-R211 PolarHBondContact OG-N 2.9Å; S209-G212 PolarHBondContact O-N 3.33Å; S209-A213 WeakPolarHBondContact CB-O 3.36Å; S209-A213 PolarHBondContact OG-O 3.3Å; S209-G214 WeakPolarHBondContact CB-O 3.47Å
210P95.6Very high97Very high114 Ų11457.9 Ų57.974%0.7434%0.335SS*.THydrogen-bonded Turntrans-68.6-10.1173.530.9-35.4000112.5G212P210-G212 PolarHBondContact O-N 2.9Å
211R93.8Very high97Very high96 Ų9658.3 Ų58.336%0.36234%0.337SS..THydrogen-bonded Turntrans-72.7-14.5176.4-55.8-176.3-178.6-104.611.3113.2W197 D199 S209 A213 H238 Q239W197-R211 HydrophobicContact CE3-CB 4.1Å; W197-R211 HydrophobicContact CZ3-CB 4.31Å; D199-R211 IonicContact OD1-NE 2.76Å; D199-R211 IonicContact OD1-NH2 3.32Å; D199-R211 PolarHBondContact OD1-NH2 3.23Å; D199-R211 IonicContact OD2-CZ 3.87Å; D199-R211 IonicContact OD2-NE 3.29Å; D199-R211 PolarHBondContact OD2-NE 2.87Å; D199-R211 IonicContact OD2-NH2 2.81Å; D199-R211 PolarHBondContact OD2-NH2 2.94Å; S209-R211 PolarHBondContact O-N 2.87Å; S209-R211 WeakPolarHBondContact OG-CB 3.26Å; S209-R211 WeakPolarHBondContact OG-CG 3.42Å; S209-R211 PolarHBondContact OG-N 2.9Å; R211-A213 PolarHBondContact O-N 3.21Å; R211-H238 WeakPolarHBondContact CD-NE2 3.28Å; R211-H238 PolarHBondContact NE-NE2 3.14Å; R211-H238 VanDerWaalsContact NE-NE2 3.15Å; R211-H238 PolarHBondContact NH1-NE2 2.7Å; R211-H238 PolarHBondContact NH2-CD2 3.19Å; R211-H238 PolarHBondContact NH2-NE2 3.05Å; R211-H238 PolarHBondContact NH2-O 3.36Å; R211-Q239 VanDerWaalsContact NH2-CG 3.27Å
212G94.3Very high97.1Very high75 Ų7554.1 Ų54.177%0.77332%0.317SS*.SBendtrans78.55-172.200000114.3S209 P210S209-G212 PolarHBondContact O-N 3.33Å; P210-G212 PolarHBondContact O-N 2.9Å
213A96.4Very high97.3Very high20 Ų2050 Ų5017%0.16530%0.299CS..SBendtrans-148.8149.6175.900000109.7W197 S209 R211W197-A213 HydrophobicContact CB-CB 4.12Å; W197-A213 HydrophobicContact CD2-CB 3.84Å; W197-A213 HydrophobicContact CE3-CB 4.17Å; W197-A213 HydrophobicContact CG-CB 3.83Å; S209-A213 WeakPolarHBondContact CB-O 3.36Å; S209-A213 PolarHBondContact OG-O 3.3Å; R211-A213 PolarHBondContact O-N 3.21Å
214G97.7Very high97.5Very high12 Ų1252.2 Ų52.212%0.12431%0.31CS..SBendtrans68.2-166.1-174.500000114.2S209S209-G214 WeakPolarHBondContact CB-O 3.47Å
215Y98.6Very high97.6Very high90 Ų9046.8 Ų46.835%0.35328%0.276SS..EExtended strand (participates in β ladder)trans-132.3159.4-176.2-67.2-92000112.4P169 D194 S198 D199 W206 G207P169-Y215 VanDerWaalsContact CD-CD2 3.47Å; P169-Y215 HydrophobicContact CG-CD1 4.4Å; P169-Y215 HydrophobicContact CG-CD2 3.75Å; P169-Y215 HydrophobicContact CG-CE1 4.23Å; P169-Y215 HydrophobicContact CG-CE2 3.54Å; P169-Y215 HydrophobicContact CG-CG 4.18Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.34Å; D194-Y215 VanDerWaalsContact OD1-CE2 3.3Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.24Å; S198-Y215 CarbonylContact C-O 3.55Å; S198-Y215 WeakPolarHBondContact CA-O 3.37Å; S198-Y215 WeakPolarHBondContact CB-O 3.19Å; S198-Y215 PolarHBondContact OG-N 3.27Å; D199-Y215 PolarHBondContact N-O 3.31Å; W206-Y215 HydrophobicContact CE3-CG 4.32Å; G207-Y215 WeakPolarHBondContact O-CA 3.12Å; G207-Y215 WeakPolarHBondContact O-CD1 3.17Å
216L98.7Very high97.6Very high18 Ų1846.7 Ų46.79%0.09427%0.272CS..EExtended strand (participates in β ladder)trans-85.9138.1160.2-56.8-178.8000108.9D199 E201 Q203 W206 G207D199-L216 HydrophobicContact CB-CD2 3.91Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.27Å; D199-L216 WeakPolarHBondContact O-CA 3.23Å; E201-L216 HydrophobicContact CB-CB 4.04Å; E201-L216 HydrophobicContact CB-CD1 4.25Å; E201-L216 HydrophobicContact CB-CD2 4.36Å; E201-L216 HydrophobicContact CB-CG 4.44Å; E201-L216 HydrophobicContact CG-CD1 4.15Å; Q203-L216 PolarHBondContact NE2-O 3.41Å; W206-L216 CarbonylContact C-O 3.55Å; W206-L216 VanDerWaalsContact CA-O 3.32Å; W206-L216 WeakPolarHBondContact CA-O 3.31Å; G207-L216 PolarHBondContact N-O 3.47Å; G207-L216 PolarHBondContact O-N 3.03Å
217F98.8Very high97.6Very high0 Ų051.4 Ų51.40%029%0.29CS..EExtended strand (participates in β ladder)trans-130.2135.6178.462.3-90000112.6L167 D199 P200 E201 W206 V221 V222 F249 V253L167-F217 HydrophobicContact CB-CD1 4.49Å; L167-F217 HydrophobicContact CB-CG 4.41Å; L167-F217 HydrophobicContact CD1-CD2 4.33Å; L167-F217 HydrophobicContact CG-CD2 4.49Å; L167-F217 HydrophobicContact CG-CE2 4.48Å; D199-F217 VanDerWaalsContact C-CD1 3.45Å; D199-F217 WeakPolarHBondContact O-CD1 3.32Å; D199-F217 WeakPolarHBondContact O-CE1 3.42Å; D199-F217 PolarHBondContact O-N 2.81Å; P200-F217 WeakPolarHBondContact CA-O 3.09Å; P200-F217 HydrophobicContact CB-CD2 4.47Å; P200-F217 HydrophobicContact CB-CE1 4.48Å; P200-F217 HydrophobicContact CB-CE2 3.84Å; P200-F217 HydrophobicContact CB-CZ 3.84Å; P200-F217 HydrophobicContact CG-CZ 4.26Å; P200-F217 VanDerWaalsContact N-CE1 3.32Å; E201-F217 PolarHBondContact N-O 2.88Å; E201-F217 VanDerWaalsContact N-O 3.12Å; W206-F217 HydrophobicContact CE3-CB 3.84Å; W206-F217 HydrophobicContact CH2-CB 4.31Å; W206-F217 HydrophobicContact CZ3-CB 3.65Å; W206-F217 HydrophobicContact CZ3-CG 4.49Å; F217-V221 HydrophobicContact CB-CB 4.35Å; F217-V221 HydrophobicContact CB-CG1 4.21Å; F217-V222 HydrophobicContact CD2-CG2 3.61Å; F217-V222 HydrophobicContact CE2-CG2 3.69Å; F217-F249 HydrophobicContact CD2-CE2 4.24Å; F217-F249 HydrophobicContact CE2-CE2 4.23Å; F217-F249 VanDerWaalsContact O-CZ 3.28Å; F217-F249 WeakPolarHBondContact O-CZ 3.47Å; F217-V253 HydrophobicContact CE2-CG2 4.39Å
218G98.6Very high97.6Very high0 Ų053.5 Ų53.50%030%0.299CS..  trans-90.4172.7-179.200000115.1Q203 G205 D220 V221 V222Q203-G218 WeakPolarHBondContact O-CA 3.37Å; G205-G218 PolarHBondContact O-N 2.85Å; G218-D220 VanDerWaalsContact C-N 3.25Å; G218-D220 PolarHBondContact O-N 3.2Å; G218-V221 WeakPolarHBondContact O-CB 3.34Å; G218-V221 PolarHBondContact O-N 3.04Å; G218-V222 PolarHBondContact O-N 3.5Å
219S98.4Very high97.7Very high56 Ų5648.8 Ų48.839%0.39227%0.27SS..Hα-helixtrans-58.3-3117963.70000114.6S223S219-S223 WeakPolarHBondContact O-CB 3.26Å; S219-S223 PolarHBondContact O-N 3.26Å; S219-S223 PolarHBondContact O-OG 3.17Å
220D98.4Very high97.8Very high63 Ų6353.9 Ų53.934%0.33730%0.296SS..Hα-helixtrans-70.2-38.7178.459.4-59.8000111.9G205 G218 S223 Q224G205-D220 WeakPolarHBondContact CA-OD2 3.44Å; G205-D220 PolarHBondContact N-OD1 2.72Å; G205-D220 PolarHBondContact N-OD2 2.97Å; G205-D220 VanDerWaalsContact N-OD2 3.13Å; G218-D220 VanDerWaalsContact C-N 3.25Å; G218-D220 PolarHBondContact O-N 3.2Å; D220-S223 PolarHBondContact O-N 3.47Å; D220-Q224 PolarHBondContact O-N 3.4Å
221V98.6Very high97.9Very high12 Ų1248.8 Ų48.87%0.07326%0.263CS..Hα-helixtrans-61.7-48174.1178.90000110L167 W206 F217 G218 Q224 F225L167-V221 HydrophobicContact CD1-CG1 3.94Å; W206-V221 HydrophobicContact CD2-CG1 4.38Å; W206-V221 HydrophobicContact CD2-CG2 4.3Å; W206-V221 HydrophobicContact CG-CG2 4.47Å; W206-V221 HydrophobicContact CH2-CG1 3.59Å; W206-V221 HydrophobicContact CZ2-CB 4.45Å; W206-V221 HydrophobicContact CZ2-CG1 3.21Å; W206-V221 HydrophobicContact CZ2-CG2 4.42Å; W206-V221 HydrophobicContact CZ3-CG1 4.31Å; F217-V221 HydrophobicContact CB-CB 4.35Å; F217-V221 HydrophobicContact CB-CG1 4.21Å; G218-V221 WeakPolarHBondContact O-CB 3.34Å; G218-V221 PolarHBondContact O-N 3.04Å; V221-Q224 PolarHBondContact O-N 3.31Å; V221-F225 WeakPolarHBondContact O-CB 3.28Å; V221-F225 PolarHBondContact O-N 3.31Å
222V98.6Very high98.1Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-61.3-47.4177.1176.60000110.9L167 F217 G218 Q224 F225 N226 I234 F249 V253L167-V222 HydrophobicContact CD1-CG2 4.12Å; F217-V222 HydrophobicContact CD2-CG2 3.61Å; F217-V222 HydrophobicContact CE2-CG2 3.69Å; G218-V222 PolarHBondContact O-N 3.5Å; V222-Q224 VanDerWaalsContact C-N 3.25Å; V222-Q224 PolarHBondContact O-N 3.28Å; V222-F225 PolarHBondContact O-N 2.82Å; V222-F225 VanDerWaalsContact O-N 3.17Å; V222-N226 WeakPolarHBondContact O-CB 3.49Å; V222-N226 PolarHBondContact O-N 3.5Å; V222-I234 HydrophobicContact CG1-CD1 4.06Å; V222-I234 HydrophobicContact CG2-CD1 4.41Å; V222-F249 HydrophobicContact CB-CD2 4.4Å; V222-F249 HydrophobicContact CG2-CD2 3.8Å; V222-F249 HydrophobicContact CG2-CE2 3.96Å; V222-V253 HydrophobicContact CB-CG2 4.28Å; V222-V253 HydrophobicContact CG1-CG2 3.7Å; V222-V253 HydrophobicContact CG2-CG2 3.66Å
223S98.3Very high98.3Very high50 Ų5045.6 Ų45.635%0.3524%0.235SC..Hα-helixtrans-60.4-35.2179.4-62.90000112.5S219 D220 R227S219-S223 WeakPolarHBondContact O-CB 3.26Å; S219-S223 PolarHBondContact O-N 3.26Å; S219-S223 PolarHBondContact O-OG 3.17Å; D220-S223 PolarHBondContact O-N 3.47Å; S223-R227 WeakPolarHBondContact O-CB 3.38Å; S223-R227 VanDerWaalsContact O-CG 3.28Å; S223-R227 WeakPolarHBondContact O-CG 3.23Å; S223-R227 PolarHBondContact O-N 3.01Å; S223-R227 PolarHBondContact O-NE 2.86Å
224Q98.4Very high98.4Very high108 Ų10844.7 Ų44.751%0.50523%0.228SC..Hα-helixtrans-71.1-47.7174-178.2176.1-7.300111.6D220 V221 V222 T228D220-Q224 PolarHBondContact O-N 3.4Å; V221-Q224 PolarHBondContact O-N 3.31Å; V222-Q224 VanDerWaalsContact C-N 3.25Å; V222-Q224 PolarHBondContact O-N 3.28Å; Q224-T228 VanDerWaalsContact O-CB 3.31Å; Q224-T228 WeakPolarHBondContact O-CB 3.5Å; Q224-T228 PolarHBondContact O-N 3.45Å; Q224-T228 PolarHBondContact O-OG1 3.26Å
225F98.8Very high98.5Very high8 Ų844.1 Ų44.14%0.03522%0.222CC..Hα-helixtrans-61.5-48.7-179.1-174.9-92.7000112F161 L167 I171 L174 V221 V222 R227 T228 N229 I231 I234F161-F225 AromaticContact CD1-CE1 3.93Å; F161-F225 HydrophobicContact CD1-CE1 3.93Å; F161-F225 HydrophobicContact CD1-CZ 4.4Å; F161-F225 HydrophobicContact CE1-CE1 4.26Å; F161-F225 HydrophobicContact CE1-CZ 4.31Å; F161-F225 HydrophobicContact CG-CE1 4.39Å; L167-F225 HydrophobicContact CD1-CB 3.85Å; L167-F225 HydrophobicContact CD1-CD1 4.43Å; L167-F225 HydrophobicContact CD1-CG 4.05Å; L167-F225 HydrophobicContact CD2-CD1 3.74Å; L167-F225 HydrophobicContact CD2-CD2 3.98Å; L167-F225 HydrophobicContact CD2-CE1 3.83Å; L167-F225 HydrophobicContact CD2-CE2 4.07Å; L167-F225 HydrophobicContact CD2-CG 3.81Å; L167-F225 HydrophobicContact CD2-CZ 3.99Å; I171-F225 HydrophobicContact CG2-CE2 4.29Å; L174-F225 HydrophobicContact CD2-CE1 4.45Å; L174-F225 HydrophobicContact CD2-CZ 3.98Å; V221-F225 WeakPolarHBondContact O-CB 3.28Å; V221-F225 PolarHBondContact O-N 3.31Å; V222-F225 PolarHBondContact O-N 2.82Å; V222-F225 VanDerWaalsContact O-N 3.17Å; F225-R227 PolarHBondContact O-N 3.12Å; F225-T228 PolarHBondContact O-N 3.4Å; F225-N229 PolarHBondContact O-N 3.22Å; F225-N229 PolarHBondContact O-ND2 3.25Å; F225-I231 HydrophobicContact CE1-CD1 3.89Å; F225-I234 HydrophobicContact CD1-CD1 4.31Å
226N98.6Very high98.5Very high12 Ų1239.8 Ų39.86%0.06421%0.205CC..Hα-helixtrans-59.6-48.3179.7-77.416.2000111.6V222 T228 N229 D230 I231 D232V222-N226 WeakPolarHBondContact O-CB 3.49Å; V222-N226 PolarHBondContact O-N 3.5Å; N226-T228 VanDerWaalsContact C-N 3.34Å; N226-T228 PolarHBondContact O-N 2.76Å; N226-N229 PolarHBondContact O-N 3.39Å; N226-D230 WeakPolarHBondContact O-CA 2.99Å; N226-D230 PolarHBondContact O-N 3.2Å; N226-I231 VanDerWaalsContact CB-O 3.27Å; N226-I231 WeakPolarHBondContact CB-O 3.42Å; N226-I231 PolarHBondContact O-N 3.26Å; N226-D232 PolarHBondContact ND2-O 3Å
227R98.4Very high98.5Very high197 Ų19739 Ų3974%0.74320%0.2SC*.Hα-helixtrans-61.7-40.4176.4-75.6-176.1-66.4-1790.8113S223 F225 N229S223-R227 WeakPolarHBondContact O-CB 3.38Å; S223-R227 VanDerWaalsContact O-CG 3.28Å; S223-R227 WeakPolarHBondContact O-CG 3.23Å; S223-R227 PolarHBondContact O-N 3.01Å; S223-R227 PolarHBondContact O-NE 2.86Å; F225-R227 PolarHBondContact O-N 3.12Å; R227-N229 VanDerWaalsContact C-N 3.28Å; R227-N229 PolarHBondContact O-N 3.32Å
228T98.4Very high98.5Very high59 Ų5939.4 Ų39.436%0.36220%0.203SC..Hα-helixtrans-67.1-33-177.9-59.50000111.8Y173 Q224 F225 N226Y173-T228 HydrophobicContact CD1-CG2 3.53Å; Y173-T228 HydrophobicContact CE1-CG2 3.24Å; Y173-T228 HydrophobicContact CG-CG2 4.49Å; Q224-T228 VanDerWaalsContact O-CB 3.31Å; Q224-T228 WeakPolarHBondContact O-CB 3.5Å; Q224-T228 PolarHBondContact O-N 3.45Å; Q224-T228 PolarHBondContact O-OG1 3.26Å; F225-T228 PolarHBondContact O-N 3.4Å; N226-T228 VanDerWaalsContact C-N 3.34Å; N226-T228 PolarHBondContact O-N 2.76Å
229N98.6Very high98.4Very high29 Ų2941.5 Ų41.516%0.15521%0.212CC..Hα-helixtrans-107.54.4-174-65.3-82.8000114.1Q172 Y173 L174 F225 N226 R227 I231Q172-N229 PolarHBondContact O-ND2 3.32Å; Y173-N229 VanDerWaalsContact CA-OD1 3.26Å; Y173-N229 WeakPolarHBondContact CA-OD1 3.38Å; L174-N229 HydrophobicContact CD1-CB 4.36Å; L174-N229 HydrophobicContact CG-CB 4.22Å; L174-N229 PolarHBondContact N-OD1 2.86Å; F225-N229 PolarHBondContact O-N 3.22Å; F225-N229 PolarHBondContact O-ND2 3.25Å; N226-N229 PolarHBondContact O-N 3.39Å; R227-N229 VanDerWaalsContact C-N 3.28Å; R227-N229 PolarHBondContact O-N 3.32Å; N229-I231 VanDerWaalsContact C-N 3.28Å; N229-I231 HydrophobicContact CB-CD1 3.67Å; N229-I231 HydrophobicContact CB-CG1 3.95Å; N229-I231 PolarHBondContact O-N 3.15Å
230D98.2Very high98.4Very high112 Ų11242 Ų4260%0.59921%0.21SC*.THydrogen-bonded Turntrans55.239.3-176-16937.8000113.9K159 N226K159-D230 PolarHBondContact NZ-O 3.41Å; K159-D230 IonicContact NZ-OD1 3.2Å; K159-D230 PolarHBondContact NZ-OD1 3.12Å; K159-D230 IonicContact NZ-OD2 3.39Å; K159-D230 PolarHBondContact NZ-OD2 2.81Å; N226-D230 WeakPolarHBondContact O-CA 2.99Å; N226-D230 PolarHBondContact O-N 3.2Å
231I97.9Very high98.3Very high8 Ų839.5 Ų39.54%0.04120%0.197CC..  trans-100.9139.1179.2-65.4170.2000109.2I155 K159 F161 L174 F225 N226 N229 M233I155-I231 HydrophobicContact CD1-CD1 4.08Å; I155-I231 HydrophobicContact CD1-CG1 4.03Å; K159-I231 VanDerWaalsContact O-CG2 3.26Å; K159-I231 WeakPolarHBondContact O-CG2 3.14Å; F161-I231 HydrophobicContact CB-CD1 3.64Å; F161-I231 HydrophobicContact CB-CG2 3.92Å; F161-I231 HydrophobicContact CG-CD1 4.21Å; L174-I231 HydrophobicContact CD1-CD1 3.78Å; L174-I231 HydrophobicContact CD2-CD1 4.04Å; L174-I231 HydrophobicContact CG-CD1 4.09Å; F225-I231 HydrophobicContact CE1-CD1 3.89Å; N226-I231 VanDerWaalsContact CB-O 3.27Å; N226-I231 WeakPolarHBondContact CB-O 3.42Å; N226-I231 PolarHBondContact O-N 3.26Å; N229-I231 VanDerWaalsContact C-N 3.28Å; N229-I231 HydrophobicContact CB-CD1 3.67Å; N229-I231 HydrophobicContact CB-CG1 3.95Å; N229-I231 PolarHBondContact O-N 3.15Å; I231-M233 WeakPolarHBondContact CG2-O 3.34Å
232D97.9Very high98.3Very high99 Ų9943.2 Ų43.253%0.52922%0.215SC..SBendtrans-82.5-43.2179.3-64.5-21.3000111.4K159 N226K159-D232 PolarHBondContact O-N 2.78Å; N226-D232 PolarHBondContact ND2-O 3Å
233M98.1Very high98.2Very high5 Ų548.9 Ų48.93%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-151.9160.1179.761.4169.5-72.900113.5I160 F161 I231 C235 W247 T252 L254 R281I160-M233 WeakPolarHBondContact CA-O 3.25Å; I160-M233 HydrophobicContact CB-CG 4.4Å; I160-M233 HydrophobicContact CD1-CG 4.47Å; I160-M233 HydrophobicContact CD1-SD 4.37Å; I160-M233 HydrophobicContact CG1-CG 3.89Å; I160-M233 HydrophobicContact CG1-SD 4.42Å; I160-M233 HydrophobicContact CG2-CE 4.49Å; I160-M233 HydrophobicContact CG2-CG 4.07Å; F161-M233 PolarHBondContact N-O 3.14Å; I231-M233 WeakPolarHBondContact CG2-O 3.34Å; M233-C235 HydrophobicContact CE-CB 4.22Å; M233-W247 HydrophobicContact CE-CH2 3.53Å; M233-W247 HydrophobicContact CE-CZ3 3.51Å; M233-W247 HydrophobicContact SD-CH2 3.71Å; M233-W247 HydrophobicContact SD-CZ3 3.94Å; M233-T252 WeakPolarHBondContact CA-O 3.45Å; M233-L254 HydrophobicContact CE-CB 3.49Å; M233-L254 VanDerWaalsContact CE-CB 3.49Å; M233-L254 HydrophobicContact CE-CD2 3.94Å; M233-L254 HydrophobicContact CE-CG 4.4Å; M233-R281 PolarHBondContact SD-NH1 2.59Å
234I98.9Very high98.2Very high0 Ų046.5 Ų46.50%023%0.225CC..EExtended strand (participates in β ladder)trans-100.9129.1170.2-56.6173.4000108.4F161 V163 L167 V222 F225 T252 V253 L254F161-I234 HydrophobicContact CD1-CG1 4.24Å; F161-I234 HydrophobicContact CD1-CG2 4.13Å; F161-I234 CarbonylContact O-C 3.52Å; F161-I234 VanDerWaalsContact O-CA 3.3Å; F161-I234 WeakPolarHBondContact O-CA 3.5Å; V163-I234 HydrophobicContact CG1-CG2 4.15Å; L167-I234 HydrophobicContact CD1-CD1 3.79Å; L167-I234 HydrophobicContact CD2-CD1 3.7Å; L167-I234 HydrophobicContact CG-CD1 3.84Å; V222-I234 HydrophobicContact CG1-CD1 4.06Å; V222-I234 HydrophobicContact CG2-CD1 4.41Å; F225-I234 HydrophobicContact CD1-CD1 4.31Å; I234-T252 PolarHBondContact N-O 2.82Å; I234-V253 HydrophobicContact CB-CG1 4.42Å; I234-V253 HydrophobicContact CB-CG2 4.28Å; I234-V253 HydrophobicContact CD1-CG2 4.44Å; I234-V253 CarbonylContact O-C 3.11Å; I234-V253 VanDerWaalsContact O-CA 3.31Å; I234-V253 WeakPolarHBondContact O-CA 3.47Å; I234-L254 PolarHBondContact O-N 3.48Å
235C98.8Very high98.2Very high0 Ų043.7 Ų43.70%021%0.211CC..EExtended strand (participates in β ladder)trans-109.8128.5170.8-174.70000108.9I160 F161 C162 V163 M233 L254I160-C235 HydrophobicContact CG2-CB 3.85Å; F161-C235 PolarHBondContact O-N 2.92Å; C162-C235 VanDerWaalsContact CA-O 3.23Å; C162-C235 WeakPolarHBondContact CA-O 3.41Å; V163-C235 PolarHBondContact N-O 2.84Å; V163-C235 VanDerWaalsContact N-O 3.08Å; M233-C235 HydrophobicContact CE-CB 4.22Å; C235-L254 CarbonylContact C-O 3.58Å; C235-L254 WeakPolarHBondContact CA-O 3.32Å
236R98.9Very high98.2Very high0 Ų048 Ų480%023%0.23CC..EExtended strand (participates in β ladder)trans-144.7174.4-172.469135.7-48.5-177.337.2113.6M80 V163 H164 G165 S198 D199 P200 H238 V253 L254 T255 V256M80-R236 VanDerWaalsContact CE-O 3.32Å; M80-R236 WeakPolarHBondContact CE-O 3.48Å; V163-R236 HydrophobicContact CG1-CB 4.39Å; V163-R236 WeakPolarHBondContact O-CA 3.32Å; V163-R236 WeakPolarHBondContact O-CB 3.33Å; H164-R236 PolarHBondContact O-NE 3.02Å; H164-R236 PolarHBondContact O-NH2 3.47Å; H164-R236 VanDerWaalsContact O-NH2 3.12Å; G165-R236 VanDerWaalsContact C-NH2 3.34Å; G165-R236 VanDerWaalsContact CA-NH2 3.26Å; G165-R236 VanDerWaalsContact O-CD 3.29Å; G165-R236 WeakPolarHBondContact O-CD 3.08Å; G165-R236 PolarHBondContact O-NE 3.46Å; G165-R236 PolarHBondContact O-NH2 3.16Å; S198-R236 PolarHBondContact O-NH2 2.96Å; D199-R236 IonicContact OD1-CZ 3.87Å; D199-R236 IonicContact OD1-NH1 2.83Å; D199-R236 PolarHBondContact OD1-NH1 3.32Å; D199-R236 IonicContact OD1-NH2 2.61Å; D199-R236 PolarHBondContact OD1-NH2 3.35Å; P200-R236 VanDerWaalsContact CD-NH1 3.34Å; R236-H238 PolarHBondContact NH2-CD2 3.09Å; R236-H238 VanDerWaalsContact NH2-CD2 3.25Å; R236-V253 HydrophobicContact CG-CG1 4.05Å; R236-L254 VanDerWaalsContact CG-O 3.32Å; R236-L254 WeakPolarHBondContact CG-O 3.37Å; R236-L254 PolarHBondContact N-O 2.92Å; R236-T255 CarbonylContact O-C 3.39Å; R236-T255 WeakPolarHBondContact O-CA 3.4Å; R236-V256 PolarHBondContact O-N 3.24Å
237A98.8Very high98.2Very high0 Ų050.3 Ų50.30%024%0.237CC..  trans-125.7-136.7-174.900000112.6D54 M80 H164 Q239 V256D54-A237 WeakPolarHBondContact OD1-CB 3.31Å; M80-A237 HydrophobicContact CB-CB 3.92Å; M80-A237 HydrophobicContact CE-CB 4.05Å; H164-A237 CarbonylContact O-C 3.52Å; H164-A237 PolarHBondContact O-N 2.99Å; A237-Q239 PolarHBondContact O-N 3.27Å; A237-V256 WeakPolarHBondContact CA-O 3.41Å
238H98.6Very high98.2Very high10 Ų1041.6 Ų41.65%0.04621%0.205CC..  trans64.4-20.6158175.788.5000119.7D54 N114 H164 D199 R211 R236D54-H238 PolarHBondContact OD1-N 2.9Å; D54-H238 WeakPolarHBondContact OD2-CA 3.23Å; D54-H238 PolarHBondContact OD2-N 3.41Å; N114-H238 PolarHBondContact OD1-CE1 3.29Å; N114-H238 VanDerWaalsContact OD1-CE1 3.25Å; N114-H238 PolarHBondContact OD1-ND1 2.99Å; H164-H238 AromaticContact CD2-ND1 3.86Å; H164-H238 WeakPolarHBondContact NE2-CB 3.45Å; H164-H238 AromaticContact NE2-CG 3.68Å; H164-H238 AromaticContact NE2-ND1 3.22Å; H164-H238 PolarHBondContact NE2-ND1 2.91Å; D199-H238 IonicContact OD1-CD2 3.54Å; D199-H238 PolarHBondContact OD1-CD2 2.99Å; R211-H238 WeakPolarHBondContact CD-NE2 3.28Å; R211-H238 PolarHBondContact NE-NE2 3.14Å; R211-H238 VanDerWaalsContact NE-NE2 3.15Å; R211-H238 PolarHBondContact NH1-NE2 2.7Å; R211-H238 PolarHBondContact NH2-CD2 3.19Å; R211-H238 PolarHBondContact NH2-NE2 3.05Å; R211-H238 PolarHBondContact NH2-O 3.36Å; R236-H238 PolarHBondContact NH2-CD2 3.09Å; R236-H238 VanDerWaalsContact NH2-CD2 3.25Å
239Q97.9Very high98.1Very high43 Ų4339.9 Ų39.920%0.20119%0.193CC..SBendtrans-102.9119.8166.3-82.3176-42.300109.6D199 R211 A237 V241 T255D199-Q239 WeakPolarHBondContact OD1-CG 3.21Å; D199-Q239 PolarHBondContact OD1-NE2 2.88Å; D199-Q239 PolarHBondContact OD2-NE2 2.82Å; R211-Q239 VanDerWaalsContact NH2-CG 3.27Å; A237-Q239 PolarHBondContact O-N 3.27Å; Q239-V241 PolarHBondContact O-N 3.17Å; Q239-T255 HydrophobicContact CB-CG2 4.28Å; Q239-T255 WeakPolarHBondContact O-CG2 3.29Å
240L97.4Very high98Very high67 Ų6746.3 Ų46.335%0.35123%0.227SC..  trans-55.2125.7168.4176.768.2000109.6W257 Y262 C266 N268L240-W257 HydrophobicContact CB-CE3 4.47Å; L240-W257 HydrophobicContact CB-CH2 4.36Å; L240-W257 HydrophobicContact CB-CZ2 4.43Å; L240-W257 HydrophobicContact CB-CZ3 4.36Å; L240-W257 HydrophobicContact CD1-CD2 4Å; L240-W257 HydrophobicContact CD1-CG 4.3Å; L240-W257 HydrophobicContact CD1-CZ2 3.86Å; L240-Y262 HydrophobicContact CD1-CD1 4.33Å; L240-Y262 HydrophobicContact CD2-CD1 4.31Å; L240-C266 HydrophobicContact CD2-CB 3.94Å; L240-N268 HydrophobicContact CD1-CB 4Å; L240-N268 VanDerWaalsContact CD1-CG 3.48Å
241V96.4Very high97.9Very high11 Ų1146.3 Ų46.37%0.06722%0.224CC..  trans-125.6133.7173.8-700000108.7Q239 E243 G244 K246 T255 W257Q239-V241 PolarHBondContact O-N 3.17Å; V241-E243 VanDerWaalsContact C-N 3.27Å; V241-E243 PolarHBondContact O-N 2.93Å; V241-G244 PolarHBondContact O-N 2.98Å; V241-K246 HydrophobicContact CB-CB 4.23Å; V241-K246 HydrophobicContact CG1-CB 3.64Å; V241-K246 HydrophobicContact CG1-CD 4.22Å; V241-T255 HydrophobicContact CG1-CG2 3.92Å; V241-T255 HydrophobicContact CG2-CG2 4.23Å; V241-W257 HydrophobicContact CG2-CB 3.67Å
242M97.7Very high97.9Very high90 Ų9047.5 Ų47.544%0.44323%0.232SC..THydrogen-bonded Turntrans-68.1-31.9-168.6-69.6-56.9-59.500112.4G244 C266 N268 V269M242-G244 VanDerWaalsContact C-N 3.32Å; M242-C266 WeakPolarHBondContact CE-O 3.42Å; M242-N268 HydrophobicContact CE-CB 4.06Å; M242-N268 WeakPolarHBondContact O-CA 3.29Å; M242-N268 HydrophobicContact SD-CB 3.94Å; M242-V269 PolarHBondContact O-N 3.39Å
243E97.8Very high97.9Very high119 Ų11942.8 Ų42.856%0.55621%0.206SC*.THydrogen-bonded Turntrans-89.35.1-177.7-58.175.2-166.100112.9V241 F245 V269V241-E243 VanDerWaalsContact C-N 3.27Å; V241-E243 PolarHBondContact O-N 2.93Å; E243-F245 PolarHBondContact O-N 3.17Å; E243-F245 VanDerWaalsContact O-N 3.17Å; E243-V269 WeakPolarHBondContact O-CG2 3.44Å
244G97.9Very high98Very high0 Ų042.6 Ų42.60%021%0.205CC..SBendtrans79.9-22.1-178.300000114.4V241 M242 W257 V269V241-G244 PolarHBondContact O-N 2.98Å; M242-G244 VanDerWaalsContact C-N 3.32Å; G244-W257 PolarHBondContact O-N 3.28Å; G244-V269 WeakPolarHBondContact CA-O 3.49Å
245F98.5Very high98Very high49 Ų4942.6 Ų42.622%0.21521%0.205CC..EExtended strand (participates in β ladder)trans-147.5160.3168.572.3-84000111.8E243 L254 T255 A271 F283 I285E243-F245 PolarHBondContact O-N 3.17Å; E243-F245 VanDerWaalsContact O-N 3.17Å; F245-L254 HydrophobicContact CB-CD1 4.19Å; F245-L254 HydrophobicContact CD2-CD1 3.92Å; F245-T255 CarbonylContact C-O 3.58Å; F245-T255 WeakPolarHBondContact CA-O 3.12Å; F245-T255 WeakPolarHBondContact CB-O 3.49Å; F245-A271 HydrophobicContact CB-CB 4.37Å; F245-A271 HydrophobicContact CD1-CB 4.05Å; F245-F283 HydrophobicContact CB-CD1 4.18Å; F245-F283 HydrophobicContact CB-CE1 3.94Å; F245-F283 HydrophobicContact CD1-CB 4.38Å; F245-F283 AromaticContact CD1-CD1 3.71Å; F245-F283 HydrophobicContact CD1-CD1 3.71Å; F245-F283 HydrophobicContact CD1-CE1 4.15Å; F245-F283 HydrophobicContact CD1-CG 4.09Å; F245-F283 HydrophobicContact CD2-CD1 4.06Å; F245-F283 AromaticContact CD2-CE1 3.68Å; F245-F283 HydrophobicContact CD2-CE1 3.68Å; F245-F283 HydrophobicContact CD2-CE2 4.35Å; F245-F283 AromaticContact CD2-CZ 3.84Å; F245-F283 HydrophobicContact CD2-CZ 3.84Å; F245-F283 HydrophobicContact CE1-CB 4.07Å; F245-F283 HydrophobicContact CE1-CD1 4.06Å; F245-F283 HydrophobicContact CE1-CD2 4.45Å; F245-F283 AromaticContact CE1-CG 3.95Å; F245-F283 HydrophobicContact CE1-CG 3.95Å; F245-F283 HydrophobicContact CE2-CD1 4.39Å; F245-F283 HydrophobicContact CE2-CD2 4.28Å; F245-F283 HydrophobicContact CE2-CE1 4.21Å; F245-F283 HydrophobicContact CE2-CE2 4.11Å; F245-F283 HydrophobicContact CE2-CG 4.41Å; F245-F283 HydrophobicContact CE2-CZ 4.06Å; F245-F283 AromaticContact CG-CD1 3.71Å; F245-F283 HydrophobicContact CG-CD1 3.71Å; F245-F283 AromaticContact CG-CE1 3.64Å; F245-F283 HydrophobicContact CG-CE1 3.64Å; F245-F283 HydrophobicContact CG-CG 4.37Å; F245-F283 HydrophobicContact CG-CZ 4.28Å; F245-F283 HydrophobicContact CZ-CD1 4.38Å; F245-F283 HydrophobicContact CZ-CD2 4.16Å; F245-F283 HydrophobicContact CZ-CE2 4.45Å; F245-F283 HydrophobicContact CZ-CG 4.12Å; F245-I285 HydrophobicContact CE1-CD1 4.23Å
246K98.4Very high98Very high99 Ų9942.6 Ų42.643%0.4321%0.205SC..EExtended strand (participates in β ladder)trans-147.7131.2176.2-179178.5172.4-170.40111.4V241 T255V241-K246 HydrophobicContact CB-CB 4.23Å; V241-K246 HydrophobicContact CG1-CB 3.64Å; V241-K246 HydrophobicContact CG1-CD 4.22Å; K246-T255 PolarHBondContact N-O 3.43Å; K246-T255 PolarHBondContact O-N 2.95Å
247W98.4Very high98Very high59 Ų5942.8 Ų42.822%0.22321%0.206CC..EExtended strand (participates in β ladder)trans-84.8140.8167.3-70.3107.8000111.1M233 E251 V253 L254 R281 F283M233-W247 HydrophobicContact CE-CH2 3.53Å; M233-W247 HydrophobicContact CE-CZ3 3.51Å; M233-W247 HydrophobicContact SD-CH2 3.71Å; M233-W247 HydrophobicContact SD-CZ3 3.94Å; W247-E251 HydrophobicContact CB-CG 4.16Å; W247-E251 HydrophobicContact CD2-CB 3.97Å; W247-E251 HydrophobicContact CD2-CG 3.98Å; W247-E251 VanDerWaalsContact CE3-CA 3.45Å; W247-E251 HydrophobicContact CE3-CB 3.7Å; W247-E251 HydrophobicContact CE3-CG 4.23Å; W247-E251 HydrophobicContact CG-CB 4.42Å; W247-E251 HydrophobicContact CG-CG 3.97Å; W247-E251 HydrophobicContact CZ3-CB 4.09Å; W247-E251 VanDerWaalsContact CZ3-O 3.23Å; W247-E251 WeakPolarHBondContact CZ3-O 3.37Å; W247-V253 WeakPolarHBondContact CA-O 3.32Å; W247-L254 HydrophobicContact CD2-CB 4.45Å; W247-L254 HydrophobicContact CD2-CD1 3.84Å; W247-L254 HydrophobicContact CE3-CB 3.82Å; W247-L254 HydrophobicContact CE3-CD1 4.1Å; W247-L254 HydrophobicContact CG-CD1 4.34Å; W247-L254 HydrophobicContact CH2-CB 4Å; W247-L254 HydrophobicContact CH2-CD1 4.29Å; W247-L254 HydrophobicContact CH2-CD2 4.06Å; W247-L254 HydrophobicContact CH2-CG 4.35Å; W247-L254 HydrophobicContact CZ2-CD1 4.03Å; W247-L254 HydrophobicContact CZ2-CD2 4.21Å; W247-L254 HydrophobicContact CZ3-CB 3.61Å; W247-L254 HydrophobicContact CZ3-CD1 4.35Å; W247-L254 HydrophobicContact CZ3-CG 4.38Å; W247-R281 VanDerWaalsContact CH2-NH1 3.25Å; W247-F283 HydrophobicContact CZ2-CE2 4.21Å; W247-F283 AromaticContact CZ2-CZ 3.91Å; W247-F283 HydrophobicContact CZ2-CZ 3.91Å
248H98.3Very high97.9Very high15 Ų1542.9 Ų42.97%0.06921%0.207CC..EExtended strand (participates in β ladder)trans-124158.6171.2-43.6-103.1000109.6P200 N250 E251 T252 V253 T255P200-H248 HydrophobicContact CB-CB 4.43Å; H248-N250 PolarHBondContact O-N 3.28Å; H248-E251 PolarHBondContact O-N 3.3Å; H248-E251 VanDerWaalsContact O-N 3.14Å; H248-T252 PolarHBondContact O-N 3.13Å; H248-V253 HydrophobicContact CB-CB 4.2Å; H248-V253 PolarHBondContact N-O 3.03Å; H248-V253 PolarHBondContact O-N 2.98Å; H248-T255 PolarHBondContact NE2-OG1 2.54Å
249F97.7Very high97.9Very high22 Ų2242.4 Ų42.410%0.09620%0.204CC..THydrogen-bonded Turntrans50.857.9168-47.6-36.2000114.4P200 E201 F217 V222 E251 T252 V253P200-F249 HydrophobicContact CB-CE2 3.58Å; P200-F249 HydrophobicContact CB-CZ 3.75Å; E201-F249 WeakPolarHBondContact O-CE1 3.4Å; E201-F249 VanDerWaalsContact O-CZ 3.23Å; E201-F249 WeakPolarHBondContact O-CZ 3.48Å; F217-F249 HydrophobicContact CD2-CE2 4.24Å; F217-F249 HydrophobicContact CE2-CE2 4.23Å; F217-F249 VanDerWaalsContact O-CZ 3.28Å; F217-F249 WeakPolarHBondContact O-CZ 3.47Å; V222-F249 HydrophobicContact CB-CD2 4.4Å; V222-F249 HydrophobicContact CG2-CD2 3.8Å; V222-F249 HydrophobicContact CG2-CE2 3.96Å; F249-E251 VanDerWaalsContact C-N 3.31Å; F249-E251 PolarHBondContact O-N 2.96Å; F249-T252 WeakPolarHBondContact CB-OG1 3.34Å; F249-T252 PolarHBondContact O-N 3.31Å; F249-T252 PolarHBondContact O-OG1 2.99Å; F249-V253 HydrophobicContact CD2-CB 4.42Å; F249-V253 HydrophobicContact CD2-CG2 3.79Å; F249-V253 HydrophobicContact CE2-CG2 4.33Å
250N94.8Very high97.9Very high165 Ų16540.3 Ų40.388%0.88220%0.195SC*.THydrogen-bonded Turntrans5346.8-178.1-59.5-28.5000112.9H248 T252H248-N250 PolarHBondContact O-N 3.28Å; N250-T252 VanDerWaalsContact C-N 3.29Å; N250-T252 PolarHBondContact O-N 2.96Å
251E96.6Very high97.9Very high111 Ų11139.3 Ų39.352%0.51919%0.19SC..THydrogen-bonded Turntrans64.424.2176.8-53.1-178.9-177.400115.4W247 H248 F249W247-E251 HydrophobicContact CB-CG 4.16Å; W247-E251 HydrophobicContact CD2-CB 3.97Å; W247-E251 HydrophobicContact CD2-CG 3.98Å; W247-E251 VanDerWaalsContact CE3-CA 3.45Å; W247-E251 HydrophobicContact CE3-CB 3.7Å; W247-E251 HydrophobicContact CE3-CG 4.23Å; W247-E251 HydrophobicContact CG-CB 4.42Å; W247-E251 HydrophobicContact CG-CG 3.97Å; W247-E251 HydrophobicContact CZ3-CB 4.09Å; W247-E251 VanDerWaalsContact CZ3-O 3.23Å; W247-E251 WeakPolarHBondContact CZ3-O 3.37Å; H248-E251 PolarHBondContact O-N 3.3Å; H248-E251 VanDerWaalsContact O-N 3.14Å; F249-E251 VanDerWaalsContact C-N 3.31Å; F249-E251 PolarHBondContact O-N 2.96Å
252T97.9Very high97.8Very high34 Ų3440.1 Ų40.121%0.20919%0.192CC..THydrogen-bonded Turntrans-91.8-15175.658.50000113.4M233 I234 H248 F249 N250M233-T252 WeakPolarHBondContact CA-O 3.45Å; I234-T252 PolarHBondContact N-O 2.82Å; H248-T252 PolarHBondContact O-N 3.13Å; F249-T252 WeakPolarHBondContact CB-OG1 3.34Å; F249-T252 PolarHBondContact O-N 3.31Å; F249-T252 PolarHBondContact O-OG1 2.99Å; N250-T252 VanDerWaalsContact C-N 3.29Å; N250-T252 PolarHBondContact O-N 2.96Å
253V98.8Very high97.4Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-130.8132.6171.5-175.50000109.6P200 F217 V222 I234 R236 W247 H248 F249P200-V253 HydrophobicContact CG-CG1 4.49Å; F217-V253 HydrophobicContact CE2-CG2 4.39Å; V222-V253 HydrophobicContact CB-CG2 4.28Å; V222-V253 HydrophobicContact CG1-CG2 3.7Å; V222-V253 HydrophobicContact CG2-CG2 3.66Å; I234-V253 HydrophobicContact CB-CG1 4.42Å; I234-V253 HydrophobicContact CB-CG2 4.28Å; I234-V253 HydrophobicContact CD1-CG2 4.44Å; I234-V253 CarbonylContact O-C 3.11Å; I234-V253 VanDerWaalsContact O-CA 3.31Å; I234-V253 WeakPolarHBondContact O-CA 3.47Å; R236-V253 HydrophobicContact CG-CG1 4.05Å; W247-V253 WeakPolarHBondContact CA-O 3.32Å; H248-V253 HydrophobicContact CB-CB 4.2Å; H248-V253 PolarHBondContact N-O 3.03Å; H248-V253 PolarHBondContact O-N 2.98Å; F249-V253 HydrophobicContact CD2-CB 4.42Å; F249-V253 HydrophobicContact CD2-CG2 3.79Å; F249-V253 HydrophobicContact CE2-CG2 4.33Å
254L98.8Very high97Very high0 Ų033.9 Ų33.90%016%0.16CC..EExtended strand (participates in β ladder)trans-116.6125.9174.7177.963.9000109.7M233 I234 C235 R236 F245 W247 V256 L273 F283M233-L254 HydrophobicContact CE-CB 3.49Å; M233-L254 VanDerWaalsContact CE-CB 3.49Å; M233-L254 HydrophobicContact CE-CD2 3.94Å; M233-L254 HydrophobicContact CE-CG 4.4Å; I234-L254 PolarHBondContact O-N 3.48Å; C235-L254 CarbonylContact C-O 3.58Å; C235-L254 WeakPolarHBondContact CA-O 3.32Å; R236-L254 VanDerWaalsContact CG-O 3.32Å; R236-L254 WeakPolarHBondContact CG-O 3.37Å; R236-L254 PolarHBondContact N-O 2.92Å; F245-L254 HydrophobicContact CB-CD1 4.19Å; F245-L254 HydrophobicContact CD2-CD1 3.92Å; W247-L254 HydrophobicContact CD2-CB 4.45Å; W247-L254 HydrophobicContact CD2-CD1 3.84Å; W247-L254 HydrophobicContact CE3-CB 3.82Å; W247-L254 HydrophobicContact CE3-CD1 4.1Å; W247-L254 HydrophobicContact CG-CD1 4.34Å; W247-L254 HydrophobicContact CH2-CB 4Å; W247-L254 HydrophobicContact CH2-CD1 4.29Å; W247-L254 HydrophobicContact CH2-CD2 4.06Å; W247-L254 HydrophobicContact CH2-CG 4.35Å; W247-L254 HydrophobicContact CZ2-CD1 4.03Å; W247-L254 HydrophobicContact CZ2-CD2 4.21Å; W247-L254 HydrophobicContact CZ3-CB 3.61Å; W247-L254 HydrophobicContact CZ3-CD1 4.35Å; W247-L254 HydrophobicContact CZ3-CG 4.38Å; L254-V256 HydrophobicContact CD2-CG2 3.78Å; L254-V256 HydrophobicContact CG-CG2 3.83Å; L254-L273 HydrophobicContact CD2-CD1 4.44Å; L254-L273 HydrophobicContact CD2-CD2 3.8Å; L254-F283 HydrophobicContact CD1-CE1 3.94Å; L254-F283 HydrophobicContact CD1-CZ 3.79Å; L254-F283 HydrophobicContact CD2-CE1 3.8Å; L254-F283 HydrophobicContact CD2-CZ 3.7Å; L254-F283 HydrophobicContact CG-CE1 4.44Å; L254-F283 HydrophobicContact CG-CZ 4.41Å
255T98.9Very high96.6Very high0 Ų040.7 Ų40.70%019%0.186CC..EExtended strand (participates in β ladder)trans-93.9128.4163.1-64.50000109.1R236 Q239 V241 F245 K246 H248R236-T255 CarbonylContact O-C 3.39Å; R236-T255 WeakPolarHBondContact O-CA 3.4Å; Q239-T255 HydrophobicContact CB-CG2 4.28Å; Q239-T255 WeakPolarHBondContact O-CG2 3.29Å; V241-T255 HydrophobicContact CG1-CG2 3.92Å; V241-T255 HydrophobicContact CG2-CG2 4.23Å; F245-T255 CarbonylContact C-O 3.58Å; F245-T255 WeakPolarHBondContact CA-O 3.12Å; F245-T255 WeakPolarHBondContact CB-O 3.49Å; K246-T255 PolarHBondContact N-O 3.43Å; K246-T255 PolarHBondContact O-N 2.95Å; H248-T255 PolarHBondContact NE2-OG1 2.54Å
256V98.8Very high96.3Very high0 Ų040.4 Ų40.40%019%0.189CC..EExtended strand (participates in β ladder)trans-116.5134.7172.8-176.90000108.8G53 M80 R236 A237 L254 L273G53-V256 WeakPolarHBondContact CA-O 3.23Å; M80-V256 HydrophobicContact CE-CB 3.91Å; M80-V256 HydrophobicContact CE-CG2 4.31Å; R236-V256 PolarHBondContact O-N 3.24Å; A237-V256 WeakPolarHBondContact CA-O 3.41Å; L254-V256 HydrophobicContact CD2-CG2 3.78Å; L254-V256 HydrophobicContact CG-CG2 3.83Å; V256-L273 HydrophobicContact CG2-CB 4.36Å
257W98.8Very high96.1Very high4 Ų438.2 Ų38.22%0.01520%0.195CC..  trans-129.1124.1-179.5-175.4-89000110.4D54 H56 L240 V241 G244 A259 Y262 N268 A270 A271D54-W257 HydrophobicContact CB-CD2 4.39Å; D54-W257 HydrophobicContact CB-CE3 4Å; D54-W257 HydrophobicContact CB-CH2 3.86Å; D54-W257 HydrophobicContact CB-CZ2 4.25Å; D54-W257 HydrophobicContact CB-CZ3 3.75Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.18Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.16Å; H56-W257 AromaticContact CD2-CH2 3.84Å; H56-W257 AromaticContact NE2-CH2 3.86Å; L240-W257 HydrophobicContact CB-CE3 4.47Å; L240-W257 HydrophobicContact CB-CH2 4.36Å; L240-W257 HydrophobicContact CB-CZ2 4.43Å; L240-W257 HydrophobicContact CB-CZ3 4.36Å; L240-W257 HydrophobicContact CD1-CD2 4Å; L240-W257 HydrophobicContact CD1-CG 4.3Å; L240-W257 HydrophobicContact CD1-CZ2 3.86Å; V241-W257 HydrophobicContact CG2-CB 3.67Å; G244-W257 PolarHBondContact O-N 3.28Å; W257-A259 HydrophobicContact CZ2-CB 4.18Å; W257-A259 PolarHBondContact NE1-O 3.39Å; W257-Y262 HydrophobicContact CH2-CD1 4.33Å; W257-Y262 HydrophobicContact CH2-CE1 4.17Å; W257-Y262 HydrophobicContact CH2-CE2 4.37Å; W257-Y262 HydrophobicContact CH2-CG 4.48Å; W257-Y262 AromaticContact CZ2-CD1 3.81Å; W257-Y262 HydrophobicContact CZ2-CD1 3.81Å; W257-Y262 AromaticContact CZ2-CD2 3.74Å; W257-Y262 HydrophobicContact CZ2-CD2 3.74Å; W257-Y262 HydrophobicContact CZ2-CE1 4.07Å; W257-Y262 HydrophobicContact CZ2-CE2 4Å; W257-Y262 AromaticContact CZ2-CG 3.61Å; W257-Y262 HydrophobicContact CZ2-CG 3.61Å; W257-N268 VanDerWaalsContact CD1-ND2 3.3Å; W257-N268 PolarHBondContact NE1-ND2 3.25Å; W257-A270 CarbonylContact O-C 3.55Å; W257-A270 WeakPolarHBondContact O-CA 3.3Å; W257-A271 PolarHBondContact O-N 2.67Å
258S98.8Very high96.1Very high2 Ų235.7 Ų35.71%0.01419%0.186CC..  trans-115.111.6-169.8-59.50000114.3G53 D54 P260 A271 F286G53-S258 PolarHBondContact N-OG 2.77Å; D54-S258 CarbonylContact O-C 3.49Å; D54-S258 WeakPolarHBondContact O-CA 3.17Å; D54-S258 WeakPolarHBondContact O-CB 3.28Å; D54-S258 PolarHBondContact O-N 3.44Å; S258-P260 WeakPolarHBondContact O-CD 3.39Å; S258-A271 PolarHBondContact OG-O 3.32Å; S258-F286 WeakPolarHBondContact O-CZ 3.28Å
259A98.3Very high96.1Very high0 Ų036.8 Ų36.80%019%0.193CC..  trans-111.293.6177.300000111.7D54 W257 Y262 N268D54-A259 PolarHBondContact O-N 3.39Å; D54-A259 VanDerWaalsContact O-N 3.08Å; W257-A259 HydrophobicContact CZ2-CB 4.18Å; W257-A259 PolarHBondContact NE1-O 3.39Å; A259-Y262 HydrophobicContact CB-CD2 4.31Å; A259-N268 PolarHBondContact O-ND2 3.38Å
260P97.8Very high96.1Very high0 Ų035.7 Ų35.70%019%0.189CC..THydrogen-bonded Turntrans-72.6149.6-176.430.8-35.2000111.5Q58 D61 S258 Y262 A270 F286 A288Q58-P260 PolarHBondContact NE2-O 2.96Å; D61-P260 HydrophobicContact CB-CG 3.72Å; S258-P260 WeakPolarHBondContact O-CD 3.39Å; P260-Y262 PolarHBondContact O-N 2.97Å; P260-A270 HydrophobicContact CB-CB 3.72Å; P260-A270 VanDerWaalsContact CD-CB 3.49Å; P260-A270 HydrophobicContact CG-CB 3.99Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 3.99Å; P260-A288 HydrophobicContact CB-CB 4.03Å; P260-A288 HydrophobicContact CG-CB 4.04Å
261N95.9Very high96.3Very high45 Ų4527.9 Ų27.924%0.24115%0.147CC..THydrogen-bonded Turntrans42.254.6-172.9-174.827.5000111.4Y264 R265 C266 G267 N268 A288N261-Y264 WeakPolarHBondContact O-CA 3.44Å; N261-Y264 PolarHBondContact O-N 3.24Å; N261-R265 PolarHBondContact OD1-N 3.26Å; N261-C266 PolarHBondContact OD1-N 3.12Å; N261-G267 PolarHBondContact OD1-N 3.38Å; N261-N268 PolarHBondContact N-O 3.3Å; N261-N268 PolarHBondContact N-OD1 2.91Å; N261-A288 HydrophobicContact CB-CB 3.9Å
262Y95.5Very high96.4Very high29 Ų2922.6 Ų22.611%0.11412%0.122CC..G310 helixtrans-51.7141.3-170.7175.7-127.8000112.1H56 R86 L240 W257 A259 P260 Y264 R265 C266 N268H56-Y262 HydrophobicContact CB-CD2 4.45Å; H56-Y262 HydrophobicContact CB-CE2 3.77Å; H56-Y262 AromaticContact CD2-CE2 3.14Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.48Å; H56-Y262 AromaticContact CD2-CZ 3.53Å; H56-Y262 PolarHBondContact CD2-OH 3.22Å; H56-Y262 VanDerWaalsContact CD2-OH 3.32Å; H56-Y262 AromaticContact CG-CE2 3.63Å; H56-Y262 AromaticContact NE2-CE2 3.82Å; H56-Y262 AromaticContact NE2-CZ 3.7Å; H56-Y262 PolarHBondContact NE2-OH 3.38Å; R86-Y262 HydrophobicContact CB-CE2 4.22Å; R86-Y262 HydrophobicContact CG-CE2 4.22Å; L240-Y262 HydrophobicContact CD1-CD1 4.33Å; L240-Y262 HydrophobicContact CD2-CD1 4.31Å; W257-Y262 HydrophobicContact CH2-CD1 4.33Å; W257-Y262 HydrophobicContact CH2-CE1 4.17Å; W257-Y262 HydrophobicContact CH2-CE2 4.37Å; W257-Y262 HydrophobicContact CH2-CG 4.48Å; W257-Y262 AromaticContact CZ2-CD1 3.81Å; W257-Y262 HydrophobicContact CZ2-CD1 3.81Å; W257-Y262 AromaticContact CZ2-CD2 3.74Å; W257-Y262 HydrophobicContact CZ2-CD2 3.74Å; W257-Y262 HydrophobicContact CZ2-CE1 4.07Å; W257-Y262 HydrophobicContact CZ2-CE2 4Å; W257-Y262 AromaticContact CZ2-CG 3.61Å; W257-Y262 HydrophobicContact CZ2-CG 3.61Å; A259-Y262 HydrophobicContact CB-CD2 4.31Å; P260-Y262 PolarHBondContact O-N 2.97Å; Y262-Y264 PolarHBondContact O-N 2.73Å; Y262-R265 PolarHBondContact O-N 3.22Å; Y262-R265 VanDerWaalsContact O-N 3.09Å; Y262-C266 WeakPolarHBondContact O-CB 3.17Å; Y262-C266 PolarHBondContact O-N 3.36Å; Y262-C266 PolarHBondContact O-SG 2.74Å; Y262-C266 VanDerWaalsContact O-SG 3.36Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.44Å; Y262-N268 PolarHBondContact N-OD1 3.31Å
263C89.6Confident96.4Very high12 Ų1221 Ų218%0.08111%0.112CC..G310 helixtrans53.223.7-173.9-73.20000113.3R265 F306C263-R265 HydrophobicContact CB-CG 4.18Å; C263-R265 PolarHBondContact O-N 2.71Å; C263-F306 HydrophobicContact CB-CD1 3.94Å
264Y88.3Confident96.4Very high65 Ų6522.9 Ų22.926%0.25512%0.121SC..G310 helixtrans60.619.3-177.6-42.1-64.8000114.7Y88 N261 Y262 F306Y88-Y264 AromaticContact CD2-CE2 3.54Å; Y88-Y264 HydrophobicContact CD2-CE2 3.54Å; Y88-Y264 AromaticContact CD2-CZ 3.73Å; Y88-Y264 WeakPolarHBondContact CD2-OH 3.15Å; Y88-Y264 AromaticContact CE2-CD2 3.93Å; Y88-Y264 HydrophobicContact CE2-CD2 3.93Å; Y88-Y264 AromaticContact CE2-CE2 3.28Å; Y88-Y264 HydrophobicContact CE2-CE2 3.28Å; Y88-Y264 AromaticContact CE2-CZ 3.91Å; Y88-Y264 PolarHBondContact N-OH 3.43Å; N261-Y264 WeakPolarHBondContact O-CA 3.44Å; N261-Y264 PolarHBondContact O-N 3.24Å; Y262-Y264 PolarHBondContact O-N 2.73Å; Y264-F306 HydrophobicContact CD2-CD1 4.46Å; Y264-F306 AromaticContact CD2-CE1 3.74Å; Y264-F306 HydrophobicContact CD2-CE1 3.74Å; Y264-F306 HydrophobicContact CD2-CZ 4.11Å; Y264-F306 AromaticContact CE2-CE1 3.57Å; Y264-F306 HydrophobicContact CE2-CE1 3.57Å; Y264-F306 AromaticContact CE2-CZ 3.75Å; Y264-F306 HydrophobicContact CE2-CZ 3.75Å
265R90.3Very high96.4Very high144 Ų14423.1 Ų23.154%0.54312%0.122SC..THydrogen-bonded Turntrans-145-22.9-172.871-178.1-131.4-168.7-0.1115.9N261 Y262 C263 G267 F306N261-R265 PolarHBondContact OD1-N 3.26Å; Y262-R265 PolarHBondContact O-N 3.22Å; Y262-R265 VanDerWaalsContact O-N 3.09Å; C263-R265 HydrophobicContact CB-CG 4.18Å; C263-R265 PolarHBondContact O-N 2.71Å; R265-G267 VanDerWaalsContact C-N 3.31Å; R265-G267 PolarHBondContact O-N 3.15Å; R265-F306 PolarHBondContact NH1-O 2.95Å
266C91.6Very high96.3Very high42 Ų4226 Ų2628%0.28414%0.138SC..SBendtrans-72-24.3-171.5-71.20000113.3L240 M242 N261 Y262 N268L240-C266 HydrophobicContact CD2-CB 3.94Å; M242-C266 WeakPolarHBondContact CE-O 3.42Å; N261-C266 PolarHBondContact OD1-N 3.12Å; Y262-C266 WeakPolarHBondContact O-CB 3.17Å; Y262-C266 PolarHBondContact O-N 3.36Å; Y262-C266 PolarHBondContact O-SG 2.74Å; Y262-C266 VanDerWaalsContact O-SG 3.36Å; C266-N268 WeakPolarHBondContact CB-OD1 3.43Å; C266-N268 PolarHBondContact O-N 3.42Å
267G94.4Very high96.2Very high53 Ų5332.3 Ų32.355%0.54617%0.167SC..  trans70.89.4177.100000115.6N261 R265N261-G267 PolarHBondContact OD1-N 3.38Å; R265-G267 VanDerWaalsContact C-N 3.31Å; R265-G267 PolarHBondContact O-N 3.15Å
268N97.9Very high96Very high6 Ų640.4 Ų40.43%0.03220%0.199CC..  trans-70.5156.5173.265.7-72.6000111.9L240 M242 W257 A259 N261 Y262 C266L240-N268 HydrophobicContact CD1-CB 4Å; L240-N268 VanDerWaalsContact CD1-CG 3.48Å; M242-N268 HydrophobicContact CE-CB 4.06Å; M242-N268 WeakPolarHBondContact O-CA 3.29Å; M242-N268 HydrophobicContact SD-CB 3.94Å; W257-N268 VanDerWaalsContact CD1-ND2 3.3Å; W257-N268 PolarHBondContact NE1-ND2 3.25Å; A259-N268 PolarHBondContact O-ND2 3.38Å; N261-N268 PolarHBondContact N-O 3.3Å; N261-N268 PolarHBondContact N-OD1 2.91Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.44Å; Y262-N268 PolarHBondContact N-OD1 3.31Å; C266-N268 WeakPolarHBondContact CB-OD1 3.43Å; C266-N268 PolarHBondContact O-N 3.42Å
269V97.9Very high95.9Very high38 Ų3842.2 Ų42.223%0.2321%0.208CC..  trans-87171.1161.4-590000110.1M242 E243 G244 I285 E287M242-V269 PolarHBondContact O-N 3.39Å; E243-V269 WeakPolarHBondContact O-CG2 3.44Å; G244-V269 WeakPolarHBondContact CA-O 3.49Å; V269-I285 HydrophobicContact CB-CG2 3.96Å; V269-I285 HydrophobicContact CG2-CG2 3.68Å; V269-E287 HydrophobicContact CG1-CG 4.31Å
270A98.6Very high95.8Very high0 Ų048.4 Ų48.40%024%0.237CC..EExtended strand (participates in β ladder)trans-116.1158.6172.900000110.8W257 P260 I285 F286W257-A270 CarbonylContact O-C 3.55Å; W257-A270 WeakPolarHBondContact O-CA 3.3Å; P260-A270 HydrophobicContact CB-CB 3.72Å; P260-A270 VanDerWaalsContact CD-CB 3.49Å; P260-A270 HydrophobicContact CG-CB 3.99Å; A270-I285 CarbonylContact O-C 3.48Å; A270-I285 VanDerWaalsContact O-CA 3.32Å; A270-I285 WeakPolarHBondContact O-CA 3.38Å; A270-F286 HydrophobicContact CB-CD1 4.07Å; A270-F286 HydrophobicContact CB-CD2 4.2Å; A270-F286 HydrophobicContact CB-CE1 3.57Å; A270-F286 HydrophobicContact CB-CE2 3.74Å; A270-F286 HydrophobicContact CB-CG 4.36Å; A270-F286 HydrophobicContact CB-CZ 3.39Å; A270-F286 PolarHBondContact N-O 3.37Å; A270-F286 PolarHBondContact O-N 3.27Å
271A98.7Very high95.7Very high0 Ų053.7 Ų53.70%026%0.257CS..EExtended strand (participates in β ladder)trans-137.1159173.500000111.6F245 W257 S258 V284 I285F245-A271 HydrophobicContact CB-CB 4.37Å; F245-A271 HydrophobicContact CD1-CB 4.05Å; W257-A271 PolarHBondContact O-N 2.67Å; S258-A271 PolarHBondContact OG-O 3.32Å; A271-V284 VanDerWaalsContact CA-O 3.31Å; A271-V284 WeakPolarHBondContact CA-O 3.11Å; A271-I285 HydrophobicContact CB-CG1 4.43Å
272I98.8Very high95.8Very high0 Ų056.3 Ų56.30%027%0.271CS..EExtended strand (participates in β ladder)trans-125.6148161.355.5-178.2000108.4T50 C52 L65 V68 F283 V284 F286T50-I272 HydrophobicContact CG2-CB 3.95Å; T50-I272 HydrophobicContact CG2-CD1 3.8Å; T50-I272 HydrophobicContact CG2-CG1 4.19Å; C52-I272 HydrophobicContact CB-CG2 4.37Å; L65-I272 HydrophobicContact CD1-CG2 3.8Å; L65-I272 HydrophobicContact CD2-CG2 4.31Å; L65-I272 HydrophobicContact CG-CG2 3.73Å; V68-I272 HydrophobicContact CG2-CD1 4.1Å; I272-F283 WeakPolarHBondContact O-CA 3.37Å; I272-V284 HydrophobicContact CD1-CB 4.07Å; I272-V284 HydrophobicContact CG1-CB 3.7Å; I272-V284 HydrophobicContact CG1-CG2 4.4Å; I272-V284 PolarHBondContact N-O 3.49Å; I272-V284 PolarHBondContact O-N 3Å; I272-F286 HydrophobicContact CG2-CE1 4.22Å
273L98.8Very high95.9Very high0 Ų057 Ų570%028%0.275CS..EExtended strand (participates in β ladder)trans-98.8117.4174.9168.271.3000108.9T50 V51 L254 V256 L275 R281 F283T50-L273 CarbonylContact C-O 3.44Å; T50-L273 WeakPolarHBondContact CA-O 2.87Å; V51-L273 HydrophobicContact CB-CB 4.2Å; V51-L273 HydrophobicContact CB-CD2 4.35Å; V51-L273 HydrophobicContact CG2-CD2 4.34Å; V51-L273 PolarHBondContact N-O 3.43Å; V51-L273 PolarHBondContact O-N 2.94Å; L254-L273 HydrophobicContact CD2-CD1 4.44Å; L254-L273 HydrophobicContact CD2-CD2 3.8Å; V256-L273 HydrophobicContact CG2-CB 4.36Å; L273-L275 HydrophobicContact CD1-CD2 4.42Å; L273-L275 HydrophobicContact CD2-CD1 4.35Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.2Å; L273-L275 HydrophobicContact CG-CD2 4.37Å; L273-L275 HydrophobicContact CG-CG 4.21Å; L273-R281 HydrophobicContact CD1-CB 3.85Å; L273-R281 HydrophobicContact CD1-CG 4.07Å; L273-F283 HydrophobicContact CB-CD1 4.48Å; L273-F283 HydrophobicContact CB-CE1 4.26Å; L273-F283 HydrophobicContact CD1-CD1 4.33Å; L273-F283 HydrophobicContact CD1-CE1 3.9Å; L273-F283 HydrophobicContact CD1-CE2 4.26Å; L273-F283 HydrophobicContact CD1-CZ 3.86Å
274E98.6Very high96.3Very high41 Ų4158 Ų5819%0.19228%0.28CS..EExtended strand (participates in β ladder)trans-92.6124.8169.2-64.6-161130.900110.1T50 K75 D282 V284T50-E274 HydrophobicContact CG2-CG 4.28Å; K75-E274 IonicContact NZ-OE1 3.93Å; K75-E274 PolarHBondContact NZ-OE1 3.4Å; E274-D282 PolarHBondContact N-O 3.39Å; E274-D282 PolarHBondContact O-N 3.32Å; E274-V284 HydrophobicContact CG-CG2 4.24Å
275L98.6Very high96.8Very high4 Ų459.4 Ų59.42%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-108.3122.1170.1-65169.8000108.5P48 V49 V51 I156 I160 L273 L279 H280 R281P48-L275 CarbonylContact C-O 3.48Å; P48-L275 WeakPolarHBondContact CA-O 3.49Å; P48-L275 WeakPolarHBondContact CB-O 3.4Å; V49-L275 HydrophobicContact CG1-CB 4.21Å; V49-L275 HydrophobicContact CG1-CD1 4.05Å; V49-L275 PolarHBondContact N-O 3.41Å; V49-L275 PolarHBondContact O-N 2.82Å; V51-L275 HydrophobicContact CG2-CD1 4.19Å; I156-L275 HydrophobicContact CD1-CD1 3.64Å; I156-L275 HydrophobicContact CG2-CD1 4.09Å; I160-L275 HydrophobicContact CD1-CD1 3.71Å; I160-L275 HydrophobicContact CD1-CD2 3.91Å; I160-L275 HydrophobicContact CD1-CG 4.5Å; L273-L275 HydrophobicContact CD1-CD2 4.42Å; L273-L275 HydrophobicContact CD2-CD1 4.35Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.2Å; L273-L275 HydrophobicContact CG-CD2 4.37Å; L273-L275 HydrophobicContact CG-CG 4.21Å; L275-L279 HydrophobicContact CD1-CD2 4.41Å; L275-H280 WeakPolarHBondContact CA-O 3.17Å; L275-R281 HydrophobicContact CD2-CB 4.37Å; L275-R281 HydrophobicContact CD2-CG 3.46Å; L275-R281 VanDerWaalsContact CD2-CG 3.46Å
276N97.3Very high97.2Very high62 Ų6253 Ų5333%0.33227%0.267SS..  trans-83.8-179172.877.43.3000111.9S47 Y278 L279 H280S47-N276 VanDerWaalsContact CB-O 3.28Å; S47-N276 WeakPolarHBondContact CB-O 3.45Å; S47-N276 PolarHBondContact OG-O 3.3Å; N276-Y278 PolarHBondContact O-N 3.47Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.32Å; N276-Y278 PolarHBondContact OD1-N 2.8Å; N276-L279 PolarHBondContact O-N 3.22Å; N276-L279 PolarHBondContact OD1-N 3.07Å; N276-H280 PolarHBondContact N-O 3.14Å; N276-H280 WeakPolarHBondContact OD1-CB 3.42Å; N276-H280 PolarHBondContact OD1-N 3.09Å
277E95.6Very high97.4Very high132 Ų13258 Ų5862%0.61729%0.287SS*.THydrogen-bonded Turntrans-56.6-13.9179-64.7175171.200115.3P48P48-E277 HydrophobicContact CG-CG 4.34Å
278Y95.8Very high97.5Very high173 Ų17357 Ų5768%0.67827%0.273SS*.THydrogen-bonded Turntrans-113.115.3179.1-54.1-76.9000112.1N276 H280N276-Y278 PolarHBondContact O-N 3.47Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.32Å; N276-Y278 PolarHBondContact OD1-N 2.8Å; Y278-H280 PolarHBondContact O-N 3.49Å; Y278-H280 VanDerWaalsContact O-N 3.11Å
279L95.3Very high97.2Very high40 Ų4057 Ų5721%0.20927%0.274CS..  trans55.722.4-173.5-61.1175.2000114I156 D157 K159 I160 L275 N276 R281I156-L279 HydrophobicContact CG2-CD2 4.11Å; D157-L279 HydrophobicContact CB-CD1 3.98Å; D157-L279 HydrophobicContact CB-CD2 4.15Å; D157-L279 HydrophobicContact CB-CG 4.39Å; D157-L279 VanDerWaalsContact OD2-CD2 3.22Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.46Å; K159-L279 HydrophobicContact CB-CD1 4.16Å; I160-L279 HydrophobicContact CD1-CD2 4.21Å; L275-L279 HydrophobicContact CD1-CD2 4.41Å; N276-L279 PolarHBondContact O-N 3.22Å; N276-L279 PolarHBondContact OD1-N 3.07Å; L279-R281 PolarHBondContact O-N 3.38Å
280H96.2Very high96.7Very high131 Ų13159 Ų5961%0.60629%0.288SS*.  trans-67.1131.3167.9-66.4-178.8000108.7L275 N276 Y278L275-H280 WeakPolarHBondContact CA-O 3.17Å; N276-H280 PolarHBondContact N-O 3.14Å; N276-H280 WeakPolarHBondContact OD1-CB 3.42Å; N276-H280 PolarHBondContact OD1-N 3.09Å; Y278-H280 PolarHBondContact O-N 3.49Å; Y278-H280 VanDerWaalsContact O-N 3.11Å
281R96.2Very high95.5Very high111 Ų11167.3 Ų67.342%0.41933%0.326SS..EExtended strand (participates in β ladder)trans-95.9124.1-173.9-66.1168-69.71799109M233 W247 L273 L275 L279M233-R281 PolarHBondContact SD-NH1 2.59Å; W247-R281 VanDerWaalsContact CH2-NH1 3.25Å; L273-R281 HydrophobicContact CD1-CB 3.85Å; L273-R281 HydrophobicContact CD1-CG 4.07Å; L275-R281 HydrophobicContact CD2-CB 4.37Å; L275-R281 HydrophobicContact CD2-CG 3.46Å; L275-R281 VanDerWaalsContact CD2-CG 3.46Å; L279-R281 PolarHBondContact O-N 3.38Å
282D97.6Very high94.3Very high100 Ų10076.6 Ų76.654%0.53537%0.37SS..EExtended strand (participates in β ladder)trans-124.9150.3166-165.420.9000110.2E274E274-D282 PolarHBondContact N-O 3.39Å; E274-D282 PolarHBondContact O-N 3.32Å
283F98.1Very high93.1Very high43 Ų4379.2 Ų79.219%0.18939%0.388CS..EExtended strand (participates in β ladder)trans-117.4121.1-179.1-69.5-87.3000110F245 W247 L254 I272 L273F245-F283 HydrophobicContact CB-CD1 4.18Å; F245-F283 HydrophobicContact CB-CE1 3.94Å; F245-F283 HydrophobicContact CD1-CB 4.38Å; F245-F283 AromaticContact CD1-CD1 3.71Å; F245-F283 HydrophobicContact CD1-CD1 3.71Å; F245-F283 HydrophobicContact CD1-CE1 4.15Å; F245-F283 HydrophobicContact CD1-CG 4.09Å; F245-F283 HydrophobicContact CD2-CD1 4.06Å; F245-F283 AromaticContact CD2-CE1 3.68Å; F245-F283 HydrophobicContact CD2-CE1 3.68Å; F245-F283 HydrophobicContact CD2-CE2 4.35Å; F245-F283 AromaticContact CD2-CZ 3.84Å; F245-F283 HydrophobicContact CD2-CZ 3.84Å; F245-F283 HydrophobicContact CE1-CB 4.07Å; F245-F283 HydrophobicContact CE1-CD1 4.06Å; F245-F283 HydrophobicContact CE1-CD2 4.45Å; F245-F283 AromaticContact CE1-CG 3.95Å; F245-F283 HydrophobicContact CE1-CG 3.95Å; F245-F283 HydrophobicContact CE2-CD1 4.39Å; F245-F283 HydrophobicContact CE2-CD2 4.28Å; F245-F283 HydrophobicContact CE2-CE1 4.21Å; F245-F283 HydrophobicContact CE2-CE2 4.11Å; F245-F283 HydrophobicContact CE2-CG 4.41Å; F245-F283 HydrophobicContact CE2-CZ 4.06Å; F245-F283 AromaticContact CG-CD1 3.71Å; F245-F283 HydrophobicContact CG-CD1 3.71Å; F245-F283 AromaticContact CG-CE1 3.64Å; F245-F283 HydrophobicContact CG-CE1 3.64Å; F245-F283 HydrophobicContact CG-CG 4.37Å; F245-F283 HydrophobicContact CG-CZ 4.28Å; F245-F283 HydrophobicContact CZ-CD1 4.38Å; F245-F283 HydrophobicContact CZ-CD2 4.16Å; F245-F283 HydrophobicContact CZ-CE2 4.45Å; F245-F283 HydrophobicContact CZ-CG 4.12Å; W247-F283 HydrophobicContact CZ2-CE2 4.21Å; W247-F283 AromaticContact CZ2-CZ 3.91Å; W247-F283 HydrophobicContact CZ2-CZ 3.91Å; L254-F283 HydrophobicContact CD1-CE1 3.94Å; L254-F283 HydrophobicContact CD1-CZ 3.79Å; L254-F283 HydrophobicContact CD2-CE1 3.8Å; L254-F283 HydrophobicContact CD2-CZ 3.7Å; L254-F283 HydrophobicContact CG-CE1 4.44Å; L254-F283 HydrophobicContact CG-CZ 4.41Å; I272-F283 WeakPolarHBondContact O-CA 3.37Å; L273-F283 HydrophobicContact CB-CD1 4.48Å; L273-F283 HydrophobicContact CB-CE1 4.26Å; L273-F283 HydrophobicContact CD1-CD1 4.33Å; L273-F283 HydrophobicContact CD1-CE1 3.9Å; L273-F283 HydrophobicContact CD1-CE2 4.26Å; L273-F283 HydrophobicContact CD1-CZ 3.86Å
284V98.3Very high91.8Very high32 Ų3281.7 Ų81.719%0.19440%0.398CS..EExtended strand (participates in β ladder)trans-99.8108.8172.4-175.70000108.1V68 A271 I272 E274V68-V284 HydrophobicContact CB-CG1 3.77Å; V68-V284 HydrophobicContact CG2-CG1 3.76Å; A271-V284 VanDerWaalsContact CA-O 3.31Å; A271-V284 WeakPolarHBondContact CA-O 3.11Å; I272-V284 HydrophobicContact CD1-CB 4.07Å; I272-V284 HydrophobicContact CG1-CB 3.7Å; I272-V284 HydrophobicContact CG1-CG2 4.4Å; I272-V284 PolarHBondContact N-O 3.49Å; I272-V284 PolarHBondContact O-N 3Å; E274-V284 HydrophobicContact CG-CG2 4.24Å
285I98.4Very high90Very high95 Ų9581.2 Ų81.249%0.48740%0.404SS..EExtended strand (participates in β ladder)trans-89.9136.4177.4-59.6171.6000109.1F245 V269 A270 A271F245-I285 HydrophobicContact CE1-CD1 4.23Å; V269-I285 HydrophobicContact CB-CG2 3.96Å; V269-I285 HydrophobicContact CG2-CG2 3.68Å; A270-I285 CarbonylContact O-C 3.48Å; A270-I285 VanDerWaalsContact O-CA 3.32Å; A270-I285 WeakPolarHBondContact O-CA 3.38Å; A271-I285 HydrophobicContact CB-CG1 4.43Å
286F98.3Very high87.9Confident9 Ų988.5 Ų88.54%0.03944%0.441CS..EExtended strand (participates in β ladder)trans-141.2150.8177.365.9-78.7000112.3E64 L65 V68 S258 P260 A270 I272E64-F286 HydrophobicContact CB-CD2 4.29Å; E64-F286 HydrophobicContact CG-CD2 4.12Å; L65-F286 HydrophobicContact CB-CE1 4.44Å; L65-F286 HydrophobicContact CB-CE2 4.21Å; L65-F286 HydrophobicContact CB-CZ 3.86Å; L65-F286 HydrophobicContact CD1-CZ 4.21Å; L65-F286 HydrophobicContact CG-CE1 4.49Å; L65-F286 HydrophobicContact CG-CZ 4.22Å; V68-F286 HydrophobicContact CG1-CB 4.3Å; V68-F286 HydrophobicContact CG2-CB 4.23Å; V68-F286 HydrophobicContact CG2-CD1 4.08Å; V68-F286 HydrophobicContact CG2-CG 4.21Å; S258-F286 WeakPolarHBondContact O-CZ 3.28Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 3.99Å; A270-F286 HydrophobicContact CB-CD1 4.07Å; A270-F286 HydrophobicContact CB-CD2 4.2Å; A270-F286 HydrophobicContact CB-CE1 3.57Å; A270-F286 HydrophobicContact CB-CE2 3.74Å; A270-F286 HydrophobicContact CB-CG 4.36Å; A270-F286 HydrophobicContact CB-CZ 3.39Å; A270-F286 PolarHBondContact N-O 3.37Å; A270-F286 PolarHBondContact O-N 3.27Å; I272-F286 HydrophobicContact CG2-CE1 4.22Å
287E97.2Very high86.1Confident149 Ų14987.3 Ų87.370%0.69644%0.436SS*.PPolyproline II helixtrans-93.2172.6177.6-64.7-170.4159.500111.5V269V269-E287 HydrophobicContact CG1-CG 4.31Å
288A94.9Very high84.1Confident32 Ų3286.3 Ų86.326%0.26444%0.444SS..PPolyproline II helixtrans-64.7137.9178.400000110.9P260 N261P260-A288 HydrophobicContact CB-CB 4.03Å; P260-A288 HydrophobicContact CG-CB 4.04Å; N261-A288 HydrophobicContact CB-CB 3.9Å
289A92.1Very high81.9Confident5 Ų586.6 Ų86.64%0.04145%0.449CS..PPolyproline II helixtrans-54.6138.1-179.800000110.7Y60 D61 Q291 R294Y60-A289 WeakPolarHBondContact O-CB 3.47Å; D61-A289 VanDerWaalsContact OD1-CB 3.31Å; D61-A289 WeakPolarHBondContact OD1-CB 3.23Å; D61-A289 PolarHBondContact OD1-N 2.92Å; A289-Q291 PolarHBondContact O-N 3.17Å; A289-R294 PolarHBondContact O-NE 2.95Å
290P86.8Confident79.7Confident80 Ų8093.5 Ų93.552%0.51948%0.477SS..PPolyproline II helixtrans-52141.7-175.8-26.632.9000112E292 S293 R294P290-E292 PolarHBondContact O-N 2.83Å; P290-E292 VanDerWaalsContact O-N 3.08Å; P290-S293 WeakPolarHBondContact O-CB 3.32Å; P290-S293 PolarHBondContact O-N 3.24Å; P290-S293 PolarHBondContact O-OG 3.45Å; P290-R294 PolarHBondContact O-N 2.86Å
291Q74.9Confident77.5Confident174 Ų17490 Ų9081%0.81347%0.466SS*.G310 helixtrans-58.6-29.8-176.2-166.4165.72300113.2A289 S293 R294A289-Q291 PolarHBondContact O-N 3.17Å; Q291-S293 VanDerWaalsContact C-N 3.27Å; Q291-S293 PolarHBondContact O-N 2.84Å; Q291-R294 PolarHBondContact O-N 2.92Å
292E73.2Confident75.2Confident195 Ų19593.5 Ų93.591%0.91149%0.487SS*.G310 helixtrans-65.5-28.3175.5-62.3169.218000113.2P290P290-E292 PolarHBondContact O-N 2.83Å; P290-E292 VanDerWaalsContact O-N 3.08Å
293S73.1Confident73.1Confident55 Ų5589.5 Ų89.539%0.38547%0.468SS..G310 helixtrans-80.2-20.7176.773.20000112.6Y60 P290 Q291 G295Y60-S293 WeakPolarHBondContact CD1-O 3.48Å; Y60-S293 WeakPolarHBondContact CE1-O 3.5Å; P290-S293 WeakPolarHBondContact O-CB 3.32Å; P290-S293 PolarHBondContact O-N 3.24Å; P290-S293 PolarHBondContact O-OG 3.45Å; Q291-S293 VanDerWaalsContact C-N 3.27Å; Q291-S293 PolarHBondContact O-N 2.84Å; S293-G295 PolarHBondContact O-N 3.12Å
294R70.5Confident71.1Confident53 Ų5393.3 Ų93.320%0.249%0.491CS..SBendtrans-80.8113.4-178.3-61.1178.3178.9-153.7-18.5108.8Y60 D61 A289 P290 Q291 I296Y60-R294 HydrophobicContact CD2-CB 4.26Å; Y60-R294 HydrophobicContact CD2-CG 4.22Å; Y60-R294 HydrophobicContact CG-CG 4.19Å; D61-R294 IonicContact OD1-CZ 3.96Å; D61-R294 IonicContact OD1-NH2 3.48Å; D61-R294 PolarHBondContact OD1-NH2 3.49Å; D61-R294 IonicContact OD2-NH2 3.45Å; D61-R294 PolarHBondContact OD2-NH2 2.96Å; A289-R294 PolarHBondContact O-NE 2.95Å; P290-R294 PolarHBondContact O-N 2.86Å; Q291-R294 PolarHBondContact O-N 2.92Å; R294-I296 PolarHBondContact O-N 3Å
295G60.8Low69.4Low31 Ų3193.9 Ų93.932%0.3249%0.49SS..PPolyproline II helixtrans-53.7134.2169.500000110.2Y60 Y89 S293 P297Y60-G295 WeakPolarHBondContact OH-CA 3.22Å; Y60-G295 PolarHBondContact OH-N 2.88Å; Y60-G295 VanDerWaalsContact OH-N 3.09Å; Y89-G295 PolarHBondContact OH-O 3.04Å; S293-G295 PolarHBondContact O-N 3.12Å; G295-P297 WeakPolarHBondContact O-CD 3.17Å
296I56.3Low67.4Low156 Ų15690.6 Ų90.680%0.847%0.472SS*.PPolyproline II helixtrans-67.1123.3177.9-58.2171.9000107.5R294 S298R294-I296 PolarHBondContact O-N 3Å; I296-S298 PolarHBondContact O-N 2.77Å
297P58.1Low64.7Low37 Ų3798.1 Ų98.124%0.2451%0.511CS..PPolyproline II helixtrans-56127.4171.7-22.332000109.2Y88 G295 K299Y88-P297 HydrophobicContact CD2-CG 4.02Å; Y88-P297 HydrophobicContact CE2-CG 4.31Å; Y88-P297 HydrophobicContact CG-CG 4.32Å; G295-P297 WeakPolarHBondContact O-CD 3.17Å; P297-K299 CarbonylContact O-C 3.21Å; P297-K299 PolarHBondContact O-N 2.94Å
298S53.3Low63.1Low112 Ų11295.6 Ų95.678%0.78350%0.502SS*.SBendtrans-59.5-13-173.243.10000114.3I296I296-S298 PolarHBondContact O-N 2.77Å
299K50.3Low61.4Low179 Ų17998.9 Ų98.978%0.77852%0.515SS*.SBendtrans-145.1140.6157.8-66-176.3178.2174.50107P297 P301P297-K299 CarbonylContact O-C 3.21Å; P297-K299 PolarHBondContact O-N 2.94Å; K299-P301 WeakPolarHBondContact O-CD 3.27Å
300K48.2Very low59.7Low184 Ų184104.1 Ų104.180%0.854%0.541SS*.  trans-78.4101.2163.4-77.4-175.7177.7-177.50107.6
301P50.3Low58.1Low58 Ų58105.5 Ų105.538%0.37754%0.542SS..  trans-68.8135.6161.330.6-32.1000107.7Y88 K299 A303Y88-P301 HydrophobicContact CD1-CG 4.49Å; Y88-P301 HydrophobicContact CE1-CG 3.89Å; K299-P301 WeakPolarHBondContact O-CD 3.27Å; P301-A303 HydrophobicContact CB-CB 4.48Å; P301-A303 HydrophobicContact CG-CB 4.46Å; P301-A303 PolarHBondContact O-N 3.19Å
302Q48.5Very low57.1Low184 Ų184101.3 Ų101.386%0.8653%0.525SS*.  trans-72.785157-167.7172.916.300104.8D304Q302-D304 PolarHBondContact O-N 2.81Å
303A54.3Low56Low16 Ų1695 Ų9513%0.13250%0.5CS..  trans-82.9109.5-178.200000108.1P301 Y305 F306P301-A303 HydrophobicContact CB-CB 4.48Å; P301-A303 HydrophobicContact CG-CB 4.46Å; P301-A303 PolarHBondContact O-N 3.19Å; A303-Y305 HydrophobicContact CB-CD1 3.76Å; A303-Y305 HydrophobicContact CB-CD2 4.25Å; A303-Y305 HydrophobicContact CB-CE1 3.27Å; A303-Y305 HydrophobicContact CB-CE2 3.79Å; A303-Y305 HydrophobicContact CB-CG 4.23Å; A303-Y305 PolarHBondContact O-N 3.32Å; A303-Y305 VanDerWaalsContact O-N 3.07Å; A303-F306 HydrophobicContact CB-CD2 3.55Å; A303-F306 HydrophobicContact CB-CE2 3.53Å; A303-F306 WeakPolarHBondContact O-CD2 3.44Å; A303-F306 PolarHBondContact O-N 3.18Å
304D55.7Low54.8Low124 Ų12497.9 Ų97.966%0.66351%0.508SS*.G310 helixtrans-63.4-12.9-178.2-68.1-30.4000112.9Q302 F306 L307Q302-D304 PolarHBondContact O-N 2.81Å; D304-F306 VanDerWaalsContact C-N 3.33Å; D304-F306 PolarHBondContact O-N 3.13Å; D304-L307 WeakPolarHBondContact O-CB 3.45Å; D304-L307 PolarHBondContact O-N 3.3Å
305Y63Low53.6Low44 Ų44101.3 Ų101.317%0.17353%0.532CS..G310 helixtrans-82.4-1.7177.960.4-106.2000115R86 Y124 A303 L307R86-Y305 PolarHBondContact NH1-O 3.19Å; Y124-Y305 WeakPolarHBondContact O-CD2 3.34Å; A303-Y305 HydrophobicContact CB-CD1 3.76Å; A303-Y305 HydrophobicContact CB-CD2 4.25Å; A303-Y305 HydrophobicContact CB-CE1 3.27Å; A303-Y305 HydrophobicContact CB-CE2 3.79Å; A303-Y305 HydrophobicContact CB-CG 4.23Å; A303-Y305 PolarHBondContact O-N 3.32Å; A303-Y305 VanDerWaalsContact O-N 3.07Å; Y305-L307 PolarHBondContact O-N 3.4Å
306F54.8Low53Low25 Ų25107.2 Ų107.211%0.1155%0.549CS..G310 helixtrans-75.7-1.7166.9-73.8-69.8000112.7R86 Y88 C263 Y264 R265 A303 D304R86-F306 WeakPolarHBondContact O-CE1 3.39Å; R86-F306 WeakPolarHBondContact O-CZ 3.31Å; Y88-F306 HydrophobicContact CD1-CZ 4.23Å; Y88-F306 AromaticContact CE1-CE2 3.61Å; Y88-F306 HydrophobicContact CE1-CE2 3.61Å; Y88-F306 AromaticContact CE1-CZ 3.61Å; Y88-F306 HydrophobicContact CE1-CZ 3.61Å; Y88-F306 HydrophobicContact CE2-CE2 4.42Å; Y88-F306 AromaticContact CE2-CZ 3.92Å; Y88-F306 HydrophobicContact CE2-CZ 3.92Å; Y88-F306 AromaticContact CZ-CE2 3.53Å; Y88-F306 AromaticContact CZ-CZ 3.43Å; Y88-F306 VanDerWaalsContact CZ-CZ 3.43Å; Y88-F306 VanDerWaalsContact OH-CE2 3.25Å; Y88-F306 WeakPolarHBondContact OH-CE2 3.5Å; C263-F306 HydrophobicContact CB-CD1 3.94Å; Y264-F306 HydrophobicContact CD2-CD1 4.46Å; Y264-F306 AromaticContact CD2-CE1 3.74Å; Y264-F306 HydrophobicContact CD2-CE1 3.74Å; Y264-F306 HydrophobicContact CD2-CZ 4.11Å; Y264-F306 AromaticContact CE2-CE1 3.57Å; Y264-F306 HydrophobicContact CE2-CE1 3.57Å; Y264-F306 AromaticContact CE2-CZ 3.75Å; Y264-F306 HydrophobicContact CE2-CZ 3.75Å; R265-F306 PolarHBondContact NH1-O 2.95Å; A303-F306 HydrophobicContact CB-CD2 3.55Å; A303-F306 HydrophobicContact CB-CE2 3.53Å; A303-F306 WeakPolarHBondContact O-CD2 3.44Å; A303-F306 PolarHBondContact O-N 3.18Å; D304-F306 VanDerWaalsContact C-N 3.33Å; D304-F306 PolarHBondContact O-N 3.13Å
307L42.9Very low52.7Low167 Ų167102.7 Ų102.787%0.87453%0.526SS*.  trans-83.70175.7-72168.9000112.5D304 Y305D304-L307 WeakPolarHBondContact O-CB 3.45Å; D304-L307 PolarHBondContact O-N 3.3Å; Y305-L307 PolarHBondContact O-N 3.4Å

Retrieved 307 of 307 residues in 181.3 ms (Link to these results)

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