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Iron-sulfur cluster assembly SufBD family protein SAV0846

AlphaFold DB (Q2FZY3), UniProt , Accession Q99VF9, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 465 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
1M35Very low35.8Very low242 Ų242135.7 Ų135.7100%1.19277%0.771SS**  0102.30-69.7-179.7-177.200106.5K3M1-K3 PolarHBondContact O-N 2.83Å
2A33.8Very low37Very low104 Ų104135 Ų13586%0.8675%0.752SS**PPolyproline II helixtrans-65.3119.1179.500000108.5K4A2-K4 PolarHBondContact O-N 3.44Å
3K32.4Very low38.7Very low205 Ų205125.8 Ų125.889%0.89170%0.699SS**PPolyproline II helixtrans-59.6120.6168.1-80-178.9173.6-178.60106.6M1 A5M1-K3 PolarHBondContact O-N 2.83Å; K3-A5 PolarHBondContact O-N 2.92Å
4K30.3Very low39.8Very low201 Ų201118 Ų11887%0.87466%0.661SS**PPolyproline II helixtrans-51.6130.5165.9-85.1-178.6169.2-173.90107.5A2A2-K4 PolarHBondContact O-N 3.44Å
5A29.3Very low41.2Very low84 Ų84112.9 Ų112.969%0.69463%0.629SS**PPolyproline II helixtrans-50.8142.9164.200000108.7K3 D7K3-A5 PolarHBondContact O-N 2.92Å; A5-D7 PolarHBondContact O-N 2.9Å
6P27.9Very low42.4Very low121 Ų121113 Ų11379%0.78662%0.623SS**PPolyproline II helixtrans-54.8137.6172.6-14.828.3000108.6
7D32.6Very low43.5Very low152 Ų152107.8 Ų107.881%0.81359%0.594SS**PPolyproline II helixtrans-53.9150.8168.7-136.5-23.9000108.8A5 G9A5-D7 PolarHBondContact O-N 2.9Å; D7-G9 PolarHBondContact O-N 2.92Å
8V35.9Very low44.5Very low155 Ų155109.4 Ų109.494%0.93960%0.602SS**SBendtrans-70.148.7-178-172.60000110.7
9G36.1Very low45.6Very low51 Ų51108.5 Ų108.553%0.52660%0.596SS.*  trans-113.8-23.7-138.100000118.4D7D7-G9 PolarHBondContact O-N 2.92Å
10D44.2Very low46.5Very low143 Ų143105.2 Ų105.277%0.76558%0.579SS**  trans-129.469.7-175.1-74.8-31.5000111.9K12 F458D10-K12 PolarHBondContact O-N 2.86Å; D10-F458 WeakPolarHBondContact O-CE2 3.28Å; D10-F458 WeakPolarHBondContact O-CZ 3.46Å
11Y56.6Low47.6Very low35 Ų35101.7 Ų101.714%0.13756%0.562CS.*  trans-57109.1158.6174.9-132.2000107.3Y13 G14 A233 V235 N263 F458Y11-Y13 VanDerWaalsContact CE1-C 3.44Å; Y11-Y13 HydrophobicContact CE2-CD2 4.07Å; Y11-Y13 PolarHBondContact O-N 3Å; Y11-G14 WeakPolarHBondContact O-CA 3.47Å; Y11-G14 PolarHBondContact O-N 2.83Å; Y11-A233 WeakPolarHBondContact CE1-O 3.38Å; Y11-V235 HydrophobicContact CD1-CG2 3.77Å; Y11-V235 HydrophobicContact CG-CG2 4.42Å; Y11-N263 WeakPolarHBondContact CE2-ND2 3.44Å; Y11-N263 PolarHBondContact OH-ND2 2.88Å; Y11-N263 PolarHBondContact OH-O 2.84Å; Y11-F458 HydrophobicContact CD2-CE1 4.15Å
12K50.4Low49.6Very low127 Ų12794.6 Ų94.655%0.55253%0.528SS*.THydrogen-bonded Turntrans-53.1-32.1-172-175.4-172.1171.8-157.40113.1D10 F15D10-K12 PolarHBondContact O-N 2.86Å; K12-F15 WeakPolarHBondContact O-CD1 3.49Å
13Y58.5Low51.8Low16 Ų1692.1 Ų92.16%0.06350%0.498CS..THydrogen-bonded Turntrans-101.17.1179.4-50.7-62.6000113.4Y11 F15 L106 E451 L455Y11-Y13 VanDerWaalsContact CE1-C 3.44Å; Y11-Y13 HydrophobicContact CE2-CD2 4.07Å; Y11-Y13 PolarHBondContact O-N 3Å; Y13-F15 HydrophobicContact CD1-CE1 4.49Å; Y13-F15 PolarHBondContact O-N 3.38Å; Y13-L106 HydrophobicContact CD1-CD2 3.45Å; Y13-L106 VanDerWaalsContact CD1-CD2 3.45Å; Y13-L106 HydrophobicContact CE1-CD2 3.78Å; Y13-L106 HydrophobicContact CG-CD2 4.14Å; Y13-E451 WeakPolarHBondContact CE2-OE1 3.17Å; Y13-E451 PolarHBondContact OH-OE1 3.45Å; Y13-L455 HydrophobicContact CD2-CD2 4.13Å; Y13-L455 HydrophobicContact CE2-CD2 3.82Å
14G54.1Low54.2Low16 Ų1686.2 Ų86.217%0.16547%0.47CS..  trans-77.6-1.5-179.300000114.9Y11 P234 V235Y11-G14 WeakPolarHBondContact O-CA 3.47Å; Y11-G14 PolarHBondContact O-N 2.83Å; G14-P234 WeakPolarHBondContact O-CA 3.17Å; G14-V235 PolarHBondContact O-N 3.43Å
15F60.7Low56.7Low41 Ų4177 Ų7718%0.1843%0.431CS..PPolyproline II helixtrans-64.4139.4174.867.9-89.3000110.1K12 Y13 T102 K105 R203 P234K12-F15 WeakPolarHBondContact O-CD1 3.49Å; Y13-F15 HydrophobicContact CD1-CE1 4.49Å; Y13-F15 PolarHBondContact O-N 3.38Å; F15-T102 HydrophobicContact CE2-CG2 3.86Å; F15-T102 HydrophobicContact CZ-CG2 4.07Å; F15-K105 HydrophobicContact CD1-CD 4.27Å; F15-K105 HydrophobicContact CD2-CD 4.08Å; F15-K105 HydrophobicContact CE1-CB 4.08Å; F15-K105 HydrophobicContact CE1-CD 3.81Å; F15-K105 HydrophobicContact CE2-CD 3.57Å; F15-K105 HydrophobicContact CG-CD 4.4Å; F15-K105 HydrophobicContact CZ-CB 3.81Å; F15-K105 HydrophobicContact CZ-CD 3.43Å; F15-K105 VanDerWaalsContact CZ-CD 3.43Å; F15-K105 HydrophobicContact CZ-CG 4.31Å; F15-R203 PolarHBondContact O-NH2 3.03Å; F15-P234 WeakPolarHBondContact O-CB 3.47Å; F15-P234 WeakPolarHBondContact O-CG 3.36Å
16H60Low59.5Low115 Ų11580.4 Ų80.453%0.53243%0.433SS..PPolyproline II helixtrans-102.1153.5164.556.916.7000110.2N205 P234 Y236H16-N205 WeakPolarHBondContact CA-OD1 3.47Å; H16-P234 HydrophobicContact CB-CB 3.91Å; H16-P234 HydrophobicContact CB-CG 4.03Å; H16-Y236 HydrophobicContact CB-CE1 4.46Å; H16-Y236 WeakPolarHBondContact CB-OH 3.24Å; H16-Y236 AromaticContact CD2-CE1 3.78Å
17D61.9Low62.3Low25 Ų2581.7 Ų81.713%0.13442%0.422CS..PPolyproline II helixtrans-103.5161.3164.6-55.4-66.9000109.7T102 K105 R203 N205D17-T102 WeakPolarHBondContact OD2-CB 3.25Å; D17-T102 PolarHBondContact OD2-OG1 3.01Å; D17-K105 IonicContact OD1-NZ 3.94Å; D17-R203 IonicContact OD2-NH2 3.72Å; D17-N205 PolarHBondContact N-OD1 2.97Å; D17-N205 PolarHBondContact O-ND2 2.85Å
18D60.5Low65.1Low136 Ų13674.6 Ų74.673%0.72738%0.384SS*.PPolyproline II helixtrans-58.7146.7178.1-70.1-35.6000110.7V20D18-V20 PolarHBondContact O-N 2.72Å
19D65.4Low67.9Low92 Ų9267.3 Ų67.349%0.49234%0.34SS..  trans-68.8104.4178.5-174.51.4000110.6S21 R24D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 3.21Å; D19-S21 PolarHBondContact OD1-OG 2.81Å; D19-S21 PolarHBondContact OD2-OG 3.03Å; D19-R24 IonicContact OD1-NH1 2.83Å; D19-R24 IonicContact OD2-CZ 3.49Å; D19-R24 IonicContact OD2-NE 3.83Å; D19-R24 IonicContact OD2-NH1 3.7Å; D19-R24 PolarHBondContact OD2-NH1 2.91Å
20V64.1Low70.7Confident43 Ų4367.9 Ų67.926%0.26133%0.334SS..  trans-96.411.2177.4-66.20000113.1D18 I22 E98 I99D18-V20 PolarHBondContact O-N 2.72Å; V20-I22 PolarHBondContact O-N 3.42Å; V20-E98 HydrophobicContact CG1-CB 4.07Å; V20-E98 HydrophobicContact CG1-CG 3.76Å; V20-I99 HydrophobicContact CG2-CG1 4.45Å
21S69.4Low73.2Confident31 Ų3165 Ų6522%0.21732%0.316CS..  trans-63.1133.8-17560.20000113D19 R24 V82 K83D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 3.21Å; D19-S21 PolarHBondContact OD1-OG 2.81Å; D19-S21 PolarHBondContact OD2-OG 3.03Å; S21-R24 WeakPolarHBondContact OG-CD 3.39Å; S21-R24 VanDerWaalsContact OG-CG 3.28Å; S21-R24 WeakPolarHBondContact OG-CG 3.37Å; S21-V82 VanDerWaalsContact CB-CG1 3.44Å; S21-K83 CarbonylContact C-O 3.53Å; S21-K83 VanDerWaalsContact CA-O 3.32Å; S21-K83 WeakPolarHBondContact CA-O 3.2Å; S21-K83 WeakPolarHBondContact CB-O 3.46Å
22I76.6Confident75.1Confident94 Ų9469.1 Ų69.148%0.48234%0.34SS..SBendtrans-84.2-18.8175.563.4165.8000112.1V20 K83 S85 E86V20-I22 PolarHBondContact O-N 3.42Å; I22-K83 HydrophobicContact CD1-CD 3.82Å; I22-K83 HydrophobicContact CD1-CG 3.85Å; I22-K83 HydrophobicContact CG1-CB 3.97Å; I22-K83 HydrophobicContact CG1-CD 4.14Å; I22-K83 HydrophobicContact CG1-CG 3.71Å; I22-K83 WeakPolarHBondContact CG1-O 3.46Å; I22-K83 PolarHBondContact N-O 2.81Å; I22-S85 WeakPolarHBondContact CD1-O 3.18Å; I22-E86 HydrophobicContact CD1-CB 4.45Å; I22-E86 HydrophobicContact CD1-CG 3.95Å
23F80.6Confident77.1Confident52 Ų5263.2 Ų63.223%0.22832%0.315CS..EExtended strand (participates in β ladder)trans-151.2141.8176177.3-90.3000111.4S25 E36 M40 Y81 V82 K83F23-S25 VanDerWaalsContact CE1-N 3.3Å; F23-E36 WeakPolarHBondContact CE2-OE1 3.34Å; F23-E36 VanDerWaalsContact CZ-CD 3.49Å; F23-E36 HydrophobicContact CZ-CG 4.16Å; F23-E36 WeakPolarHBondContact CZ-OE1 3.49Å; F23-M40 HydrophobicContact CB-CE 3.9Å; F23-M40 HydrophobicContact CD1-CE 3.61Å; F23-M40 HydrophobicContact CD1-SD 3.63Å; F23-M40 HydrophobicContact CD2-CE 4Å; F23-M40 HydrophobicContact CD2-SD 4.2Å; F23-M40 HydrophobicContact CE1-CE 4.16Å; F23-M40 HydrophobicContact CE1-SD 3.53Å; F23-M40 VanDerWaalsContact CE1-SD 3.53Å; F23-M40 HydrophobicContact CE2-CE 4.48Å; F23-M40 HydrophobicContact CE2-SD 4.09Å; F23-M40 HydrophobicContact CG-CE 3.54Å; F23-M40 HydrophobicContact CG-SD 3.99Å; F23-M40 HydrophobicContact CZ-SD 3.78Å; F23-Y81 AromaticContact CD1-CD1 3.77Å; F23-Y81 HydrophobicContact CD1-CD1 3.77Å; F23-Y81 AromaticContact CD1-CE1 3.8Å; F23-Y81 HydrophobicContact CD1-CE1 3.8Å; F23-Y81 AromaticContact CE1-CD1 3.74Å; F23-Y81 HydrophobicContact CE1-CD1 3.74Å; F23-Y81 HydrophobicContact CE1-CE1 4.1Å; F23-V82 CarbonylContact O-C 3.55Å; F23-V82 WeakPolarHBondContact O-CA 3.23Å; F23-K83 HydrophobicContact CB-CB 3.94Å; F23-K83 PolarHBondContact N-O 2.93Å; F23-K83 PolarHBondContact O-N 3.16Å
24R82.9Confident79Confident80 Ų8062.5 Ų62.530%0.30231%0.312SS..EExtended strand (participates in β ladder)trans-134.4126.7170.3-59-17670.1105.45.9108.7D19 S21 V82 S206D19-R24 IonicContact OD1-NH1 2.83Å; D19-R24 IonicContact OD2-CZ 3.49Å; D19-R24 IonicContact OD2-NE 3.83Å; D19-R24 IonicContact OD2-NH1 3.7Å; D19-R24 PolarHBondContact OD2-NH1 2.91Å; S21-R24 WeakPolarHBondContact OG-CD 3.39Å; S21-R24 VanDerWaalsContact OG-CG 3.28Å; S21-R24 WeakPolarHBondContact OG-CG 3.37Å; R24-V82 HydrophobicContact CG-CG1 4.2Å; R24-V82 HydrophobicContact CG-CG2 4.24Å; R24-S206 PolarHBondContact NH1-OG 2.83Å
25S83.8Confident81Confident8 Ų865.9 Ų65.96%0.05632%0.319CS..PPolyproline II helixtrans-62.1155.6169.749.40000111F23 Y81F23-S25 VanDerWaalsContact CE1-N 3.3Å; S25-Y81 PolarHBondContact N-O 2.97Å; S25-Y81 PolarHBondContact OG-N 2.84Å; S25-Y81 PolarHBondContact OG-O 2.78Å
26E86.6Confident82.6Confident156 Ų15667.4 Ų67.473%0.72933%0.327SS*.PPolyproline II helixtrans-59.1155167.2-66.6-173.6166.800110.6I33E26-I33 HydrophobicContact CB-CD1 4.45Å; E26-I33 WeakPolarHBondContact O-CD1 3.5Å
27R88.4Confident84.2Confident147 Ų14762 Ų6256%0.55530%0.302SS*.BIsolated β-bridgetrans-66.6148174.9-69.8-176-179.7-174.2-1.6110.9D76 D77 N208R27-D76 CarbonylContact C-O 3.52Å; R27-D77 WeakPolarHBondContact CD-O 3.22Å; R27-N208 PolarHBondContact NH2-ND2 2.85Å
28G91.5Very high85.8Confident3 Ų360.9 Ų60.93%0.03130%0.297CS..SBendtrans94.8179175.500000113.8I33 D76 I78 Y80G28-I33 WeakPolarHBondContact O-CD1 3.46Å; G28-D76 WeakPolarHBondContact CA-O 3.43Å; G28-D76 PolarHBondContact N-O 3.33Å; G28-D76 VanDerWaalsContact N-O 3.16Å; G28-I78 PolarHBondContact N-O 2.75Å; G28-Y80 VanDerWaalsContact C-CE2 3.41Å; G28-Y80 WeakPolarHBondContact O-CD2 3.39Å; G28-Y80 VanDerWaalsContact O-CE2 3.24Å; G28-Y80 WeakPolarHBondContact O-CE2 3.39Å
29L93.5Very high87.4Confident3 Ų360.1 Ų60.12%0.01629%0.292CS..  trans-119.994.7-168.8-176.266.4000110.2L55 F58 Y59 Y80 L175 V179L29-L55 HydrophobicContact CD1-CD1 3.97Å; L29-L55 HydrophobicContact CD2-CD1 3.73Å; L29-L55 HydrophobicContact CG-CD1 3.56Å; L29-F58 HydrophobicContact CD2-CD1 3.52Å; L29-F58 HydrophobicContact CD2-CE1 3.46Å; L29-F58 VanDerWaalsContact CD2-CE1 3.46Å; L29-F58 HydrophobicContact CD2-CG 4.37Å; L29-F58 HydrophobicContact CD2-CZ 4.26Å; L29-Y59 HydrophobicContact CD2-CE2 4.38Å; L29-Y59 PolarHBondContact O-OH 2.95Å; L29-Y80 HydrophobicContact CB-CD2 4.44Å; L29-Y80 HydrophobicContact CB-CE2 3.77Å; L29-Y80 HydrophobicContact CD1-CD1 4.11Å; L29-Y80 HydrophobicContact CD1-CD2 4.41Å; L29-Y80 HydrophobicContact CD1-CE1 4.05Å; L29-Y80 HydrophobicContact CD1-CE2 4.34Å; L29-Y80 HydrophobicContact CD1-CG 4.29Å; L29-L175 HydrophobicContact CD1-CD1 4.25Å; L29-L175 HydrophobicContact CD2-CD1 3.46Å; L29-L175 VanDerWaalsContact CD2-CD1 3.46Å; L29-L175 HydrophobicContact CG-CD1 4.49Å; L29-V179 HydrophobicContact CD1-CG1 3.37Å
30T95.1Very high88.6Confident63 Ų6359 Ų5939%0.38729%0.285SS..  trans-119.2160.3-178.470.30000112N32 I33 V34T30-N32 PolarHBondContact O-N 2.9Å; T30-I33 HydrophobicContact CG2-CD1 4.48Å; T30-I33 PolarHBondContact O-N 3.18Å; T30-I33 WeakPolarHBondContact OG1-CG1 3.46Å; T30-I33 PolarHBondContact OG1-N 3.42Å; T30-V34 PolarHBondContact O-N 2.85Å; T30-V34 VanDerWaalsContact O-N 3.11Å
31E96.8Very high89.8Confident82 Ų8257.6 Ų57.638%0.38328%0.276SS..Hα-helixtrans-57.3-34.7171.6172.8163.3166.500111.7V34 R35 L52 L55E31-V34 PolarHBondContact O-N 3.1Å; E31-R35 VanDerWaalsContact O-CG 3.31Å; E31-R35 WeakPolarHBondContact O-CG 3.44Å; E31-R35 PolarHBondContact O-N 2.99Å; E31-R35 IonicContact OE1-CZ 3.66Å; E31-R35 VanDerWaalsContact OE1-CZ 3.31Å; E31-R35 IonicContact OE1-NE 2.86Å; E31-R35 PolarHBondContact OE1-NE 3.48Å; E31-R35 IonicContact OE1-NH2 2.65Å; E31-R35 PolarHBondContact OE1-NH2 3.15Å; E31-L52 HydrophobicContact CG-CD2 3.68Å; E31-L55 HydrophobicContact CB-CD2 4.11Å
32N95.6Very high90.9Very high121 Ų12162 Ų6265%0.64730%0.297SS*.Hα-helixtrans-64.7-44.3176.9-71-11.1000111.9T30 V34 R35 E36T30-N32 PolarHBondContact O-N 2.9Å; N32-V34 VanDerWaalsContact C-N 3.34Å; N32-V34 PolarHBondContact O-N 3.24Å; N32-R35 WeakPolarHBondContact O-CB 3.28Å; N32-R35 PolarHBondContact O-N 2.97Å; N32-E36 WeakPolarHBondContact O-CB 3.47Å; N32-E36 PolarHBondContact O-N 3.41Å
33I94.2Very high91.7Very high4 Ų458.7 Ų58.72%0.02128%0.279CS..Hα-helixtrans-62.3-43.1177.3-69.9167.4000110.6E26 G28 T30 R35 E36 I37E26-I33 HydrophobicContact CB-CD1 4.45Å; E26-I33 WeakPolarHBondContact O-CD1 3.5Å; G28-I33 WeakPolarHBondContact O-CD1 3.46Å; T30-I33 HydrophobicContact CG2-CD1 4.48Å; T30-I33 PolarHBondContact O-N 3.18Å; T30-I33 WeakPolarHBondContact OG1-CG1 3.46Å; T30-I33 PolarHBondContact OG1-N 3.42Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 2.73Å; I33-E36 PolarHBondContact O-N 2.94Å; I33-I37 HydrophobicContact CG2-CD1 3.93Å; I33-I37 HydrophobicContact CG2-CG1 4.44Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.5Å; I33-I37 PolarHBondContact O-N 3.35Å
34V96.5Very high92.5Very high0 Ų057.6 Ų57.60%028%0.277CS..Hα-helixtrans-61.3-41.4176.2172.30000111.8T30 E31 N32 S38 R51 L52 L55 A178 V179T30-V34 PolarHBondContact O-N 2.85Å; T30-V34 VanDerWaalsContact O-N 3.11Å; E31-V34 PolarHBondContact O-N 3.1Å; N32-V34 VanDerWaalsContact C-N 3.34Å; N32-V34 PolarHBondContact O-N 3.24Å; V34-S38 WeakPolarHBondContact O-CB 3.37Å; V34-S38 PolarHBondContact O-N 2.77Å; V34-S38 VanDerWaalsContact O-N 3.14Å; V34-R51 HydrophobicContact CG1-CB 3.54Å; V34-L52 HydrophobicContact CB-CD2 4.37Å; V34-L52 HydrophobicContact CG1-CD2 3.94Å; V34-L52 HydrophobicContact CG1-CG 4.45Å; V34-L55 HydrophobicContact CG2-CD1 4.39Å; V34-L55 HydrophobicContact CG2-CD2 4.03Å; V34-A178 HydrophobicContact CG2-CB 4.42Å; V34-V179 HydrophobicContact CG2-CG1 4.1Å
35R97.1Very high93.1Very high87 Ų8759.9 Ų59.933%0.32829%0.291SS..Hα-helixtrans-65.9-39.8175.2-72.5174.1-179.4-69.7-0.5111.9E31 N32 I33 S38 N39 L48 L52E31-R35 VanDerWaalsContact O-CG 3.31Å; E31-R35 WeakPolarHBondContact O-CG 3.44Å; E31-R35 PolarHBondContact O-N 2.99Å; E31-R35 IonicContact OE1-CZ 3.66Å; E31-R35 VanDerWaalsContact OE1-CZ 3.31Å; E31-R35 IonicContact OE1-NE 2.86Å; E31-R35 PolarHBondContact OE1-NE 3.48Å; E31-R35 IonicContact OE1-NH2 2.65Å; E31-R35 PolarHBondContact OE1-NH2 3.15Å; N32-R35 WeakPolarHBondContact O-CB 3.28Å; N32-R35 PolarHBondContact O-N 2.97Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 2.73Å; R35-S38 PolarHBondContact O-N 3.04Å; R35-N39 VanDerWaalsContact O-CB 3.32Å; R35-N39 WeakPolarHBondContact O-CB 3.19Å; R35-N39 PolarHBondContact O-N 3.29Å; R35-N39 PolarHBondContact O-ND2 3.44Å; R35-L48 HydrophobicContact CG-CD1 4.03Å; R35-L52 HydrophobicContact CG-CD2 4.33Å
36E94.2Very high93.7Very high73 Ų7362.2 Ų62.234%0.34130%0.299SS..Hα-helixtrans-63.4-48.3177.8-174.4169.9-14900111.6F23 N32 I33 S38 N39 M40F23-E36 WeakPolarHBondContact CE2-OE1 3.34Å; F23-E36 VanDerWaalsContact CZ-CD 3.49Å; F23-E36 HydrophobicContact CZ-CG 4.16Å; F23-E36 WeakPolarHBondContact CZ-OE1 3.49Å; N32-E36 WeakPolarHBondContact O-CB 3.47Å; N32-E36 PolarHBondContact O-N 3.41Å; I33-E36 PolarHBondContact O-N 2.94Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.21Å; E36-N39 PolarHBondContact O-N 3.42Å; E36-M40 HydrophobicContact CG-CG 4.46Å; E36-M40 HydrophobicContact CG-SD 4.18Å; E36-M40 WeakPolarHBondContact O-CB 3.39Å; E36-M40 VanDerWaalsContact O-CG 3.3Å; E36-M40 WeakPolarHBondContact O-CG 3.28Å; E36-M40 PolarHBondContact O-N 3.13Å
37I93.5Very high94.3Very high1 Ų154.8 Ų54.81%0.00526%0.264CS..Hα-helixtrans-55.2-49.2174.5-66.3167000110.5I33 N39 M40 K41 Y81 V179I33-I37 HydrophobicContact CG2-CD1 3.93Å; I33-I37 HydrophobicContact CG2-CG1 4.44Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.5Å; I33-I37 PolarHBondContact O-N 3.35Å; I37-N39 PolarHBondContact O-N 3.35Å; I37-M40 PolarHBondContact O-N 3.04Å; I37-K41 HydrophobicContact CG2-CD 4.03Å; I37-K41 WeakPolarHBondContact O-CB 3.28Å; I37-K41 WeakPolarHBondContact O-CG 3.35Å; I37-K41 PolarHBondContact O-N 2.93Å; I37-K41 VanDerWaalsContact O-N 3.15Å; I37-Y81 HydrophobicContact CD1-CG 4.48Å; I37-Y81 HydrophobicContact CG1-CD1 4.24Å; I37-Y81 HydrophobicContact CG1-CD2 4.45Å; I37-Y81 HydrophobicContact CG1-CG 3.88Å; I37-V179 HydrophobicContact CD1-CB 4.19Å; I37-V179 HydrophobicContact CD1-CG1 4.31Å
38S95.3Very high94.7Very high3 Ų348.3 Ų48.32%0.02124%0.24CC..Hα-helixtrans-63.6-41.6-178.7-165.10000112.6V34 R35 E36 K41 N42 E43V34-S38 WeakPolarHBondContact O-CB 3.37Å; V34-S38 PolarHBondContact O-N 2.77Å; V34-S38 VanDerWaalsContact O-N 3.14Å; R35-S38 PolarHBondContact O-N 3.04Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.21Å; S38-K41 PolarHBondContact O-N 3.19Å; S38-N42 PolarHBondContact O-N 3.28Å; S38-E43 VanDerWaalsContact CA-OE2 3.31Å; S38-E43 WeakPolarHBondContact CA-OE2 3.24Å; S38-E43 VanDerWaalsContact CB-OE2 3.23Å; S38-E43 WeakPolarHBondContact CB-OE2 3.44Å; S38-E43 PolarHBondContact O-N 3.28Å; S38-E43 VanDerWaalsContact O-N 3.15Å; S38-E43 PolarHBondContact OG-OE2 2.91Å
39N94.1Very high95Very high120 Ų12051.4 Ų51.464%0.64226%0.256SS*.Hα-helixtrans-66.6-44.8177.2-74.3-21.5000112.1R35 E36 I37 K41 N42R35-N39 VanDerWaalsContact O-CB 3.32Å; R35-N39 WeakPolarHBondContact O-CB 3.19Å; R35-N39 PolarHBondContact O-N 3.29Å; R35-N39 PolarHBondContact O-ND2 3.44Å; E36-N39 PolarHBondContact O-N 3.42Å; I37-N39 PolarHBondContact O-N 3.35Å; N39-K41 PolarHBondContact O-N 2.87Å; N39-N42 PolarHBondContact O-N 3.02Å
40M90Very high95.2Very high69 Ų6953.1 Ų53.134%0.3426%0.264SS..Hα-helixtrans-61.6-31.3178.9-74.4-174.174.300112.2F23 E36 I37 N42 Y81 K83F23-M40 HydrophobicContact CB-CE 3.9Å; F23-M40 HydrophobicContact CD1-CE 3.61Å; F23-M40 HydrophobicContact CD1-SD 3.63Å; F23-M40 HydrophobicContact CD2-CE 4Å; F23-M40 HydrophobicContact CD2-SD 4.2Å; F23-M40 HydrophobicContact CE1-CE 4.16Å; F23-M40 HydrophobicContact CE1-SD 3.53Å; F23-M40 VanDerWaalsContact CE1-SD 3.53Å; F23-M40 HydrophobicContact CE2-CE 4.48Å; F23-M40 HydrophobicContact CE2-SD 4.09Å; F23-M40 HydrophobicContact CG-CE 3.54Å; F23-M40 HydrophobicContact CG-SD 3.99Å; F23-M40 HydrophobicContact CZ-SD 3.78Å; E36-M40 HydrophobicContact CG-CG 4.46Å; E36-M40 HydrophobicContact CG-SD 4.18Å; E36-M40 WeakPolarHBondContact O-CB 3.39Å; E36-M40 VanDerWaalsContact O-CG 3.3Å; E36-M40 WeakPolarHBondContact O-CG 3.28Å; E36-M40 PolarHBondContact O-N 3.13Å; I37-M40 PolarHBondContact O-N 3.04Å; M40-N42 VanDerWaalsContact C-N 3.35Å; M40-Y81 HydrophobicContact CE-CE1 3.82Å; M40-Y81 HydrophobicContact SD-CD1 4.27Å; M40-Y81 HydrophobicContact SD-CE1 3.65Å; M40-K83 HydrophobicContact CE-CD 4.26Å
41K90.1Very high95.4Very high13 Ų1350.1 Ų50.16%0.05725%0.245CC..THydrogen-bonded Turntrans-90.13.4177.9-68.9179171.5-143.30114.1I37 S38 N39 E43 D147 Q151I37-K41 HydrophobicContact CG2-CD 4.03Å; I37-K41 WeakPolarHBondContact O-CB 3.28Å; I37-K41 WeakPolarHBondContact O-CG 3.35Å; I37-K41 PolarHBondContact O-N 2.93Å; I37-K41 VanDerWaalsContact O-N 3.15Å; S38-K41 PolarHBondContact O-N 3.19Å; N39-K41 PolarHBondContact O-N 2.87Å; K41-E43 HydrophobicContact CB-CG 3.74Å; K41-E43 PolarHBondContact O-N 3.21Å; K41-D147 IonicContact NZ-OD1 2.92Å; K41-D147 PolarHBondContact NZ-OD1 2.84Å; K41-D147 IonicContact NZ-OD2 3.29Å; K41-D147 PolarHBondContact NZ-OD2 3.28Å; K41-Q151 PolarHBondContact O-NE2 3.41Å
42N92.3Very high95.5Very high124 Ų12446.9 Ų46.966%0.66323%0.23SC*.THydrogen-bonded Turntrans4845.5-179.8-17044.2000112.5S38 N39 M40S38-N42 PolarHBondContact O-N 3.28Å; N39-N42 PolarHBondContact O-N 3.02Å; M40-N42 VanDerWaalsContact C-N 3.35Å
43E94.7Very high95.6Very high23 Ų2347.1 Ų47.111%0.10723%0.226CC..  trans-76.5151.6-175.1-63.6-177.2145.800112.5S38 K41 M47 R51 L150S38-E43 VanDerWaalsContact CA-OE2 3.31Å; S38-E43 WeakPolarHBondContact CA-OE2 3.24Å; S38-E43 VanDerWaalsContact CB-OE2 3.23Å; S38-E43 WeakPolarHBondContact CB-OE2 3.44Å; S38-E43 PolarHBondContact O-N 3.28Å; S38-E43 VanDerWaalsContact O-N 3.15Å; S38-E43 PolarHBondContact OG-OE2 2.91Å; K41-E43 HydrophobicContact CB-CG 3.74Å; K41-E43 PolarHBondContact O-N 3.21Å; E43-M47 HydrophobicContact CB-CB 4.16Å; E43-M47 HydrophobicContact CB-CG 4.28Å; E43-M47 HydrophobicContact CG-CG 4.35Å; E43-M47 WeakPolarHBondContact OE2-CG 3.28Å; E43-R51 VanDerWaalsContact CD-NE 3.32Å; E43-R51 IonicContact OE1-CZ 3.89Å; E43-R51 VanDerWaalsContact OE1-CZ 3.25Å; E43-R51 IonicContact OE1-NE 2.83Å; E43-R51 PolarHBondContact OE1-NE 3.11Å; E43-R51 IonicContact OE1-NH2 2.79Å; E43-R51 PolarHBondContact OE1-NH2 3.39Å; E43-R51 WeakPolarHBondContact OE2-CD 3.16Å; E43-R51 IonicContact OE2-CZ 2.63Å; E43-R51 IonicContact OE2-NE 2.66Å; E43-R51 PolarHBondContact OE2-NE 3.16Å; E43-R51 IonicContact OE2-NH2 3.96Å; E43-L150 HydrophobicContact CB-CD2 4.31Å; E43-L150 HydrophobicContact CG-CD2 3.94Å
44P95.6Very high95.8Very high29 Ų2947 Ų4719%0.18823%0.225CC..  trans-66.2149.7171.529-35.7000111.7W46 M47 L48 L150P44-W46 HydrophobicContact CG-CZ2 4.43Å; P44-W46 VanDerWaalsContact CG-NE1 3.28Å; P44-W46 PolarHBondContact O-N 2.96Å; P44-M47 HydrophobicContact CG-CB 4.28Å; P44-M47 WeakPolarHBondContact O-CB 3.16Å; P44-M47 PolarHBondContact O-N 3.46Å; P44-L48 PolarHBondContact O-N 3.06Å; P44-L150 HydrophobicContact CG-CD1 4.07Å; P44-L150 HydrophobicContact CG-CG 4.38Å
45E96.3Very high95.9Very high128 Ų12847.4 Ų47.460%0.59823%0.228SC*.Hα-helixtrans-52.6-34.7-175.1-174.463.2-15900113.7M47 L48 D49E45-M47 VanDerWaalsContact C-N 3.27Å; E45-M47 PolarHBondContact O-N 3.37Å; E45-L48 PolarHBondContact O-N 2.73Å; E45-D49 PolarHBondContact O-N 2.7Å
46W96.9Very high95.9Very high58 Ų5849.9 Ų49.922%0.2224%0.241CC..Hα-helixtrans-66.4-29.8179.473.2-96.2000112.8P44 F50 L150 E154 F157 K158 F161P44-W46 HydrophobicContact CG-CZ2 4.43Å; P44-W46 VanDerWaalsContact CG-NE1 3.28Å; P44-W46 PolarHBondContact O-N 2.96Å; W46-F50 WeakPolarHBondContact O-CB 3.5Å; W46-F50 PolarHBondContact O-N 2.84Å; W46-L150 HydrophobicContact CH2-CD1 3.95Å; W46-L150 HydrophobicContact CZ2-CD1 3.43Å; W46-L150 VanDerWaalsContact CZ2-CD1 3.43Å; W46-E154 HydrophobicContact CZ2-CG 4.42Å; W46-E154 PolarHBondContact NE1-OE1 3.43Å; W46-F157 HydrophobicContact CH2-CD1 4.18Å; W46-F157 HydrophobicContact CH2-CE1 4.34Å; W46-K158 HydrophobicContact CD2-CD 4.4Å; W46-K158 HydrophobicContact CH2-CB 4.2Å; W46-K158 HydrophobicContact CH2-CG 4.15Å; W46-K158 HydrophobicContact CZ2-CB 3.94Å; W46-K158 HydrophobicContact CZ2-CD 4.17Å; W46-K158 HydrophobicContact CZ2-CG 3.99Å; W46-F161 HydrophobicContact CH2-CD1 4.41Å; W46-F161 HydrophobicContact CZ3-CD1 4.26Å
47M97.6Very high96.1Very high0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-72.6-42.9175.6-1785670.600110.1E43 P44 E45 D49 F50 R51 L150 F157 F161 W180E43-M47 HydrophobicContact CB-CB 4.16Å; E43-M47 HydrophobicContact CB-CG 4.28Å; E43-M47 HydrophobicContact CG-CG 4.35Å; E43-M47 WeakPolarHBondContact OE2-CG 3.28Å; P44-M47 HydrophobicContact CG-CB 4.28Å; P44-M47 WeakPolarHBondContact O-CB 3.16Å; P44-M47 PolarHBondContact O-N 3.46Å; E45-M47 VanDerWaalsContact C-N 3.27Å; E45-M47 PolarHBondContact O-N 3.37Å; M47-D49 VanDerWaalsContact C-N 3.31Å; M47-D49 PolarHBondContact O-N 3.17Å; M47-F50 WeakPolarHBondContact O-CB 3.39Å; M47-F50 PolarHBondContact O-N 3.38Å; M47-F50 VanDerWaalsContact O-N 3.1Å; M47-F50 HydrophobicContact SD-CB 4.43Å; M47-F50 HydrophobicContact SD-CD1 3.95Å; M47-R51 HydrophobicContact CG-CG 4.47Å; M47-R51 WeakPolarHBondContact O-CG 3.29Å; M47-R51 PolarHBondContact O-N 3.44Å; M47-R51 HydrophobicContact SD-CG 4.37Å; M47-L150 HydrophobicContact CB-CD2 4.17Å; M47-L150 HydrophobicContact CE-CD1 3.86Å; M47-L150 HydrophobicContact CE-CD2 3.83Å; M47-L150 HydrophobicContact CE-CG 4.5Å; M47-L150 HydrophobicContact CG-CD2 3.82Å; M47-F157 HydrophobicContact CE-CE1 3.75Å; M47-F161 HydrophobicContact CE-CD1 4.18Å; M47-F161 HydrophobicContact CE-CE1 3.74Å; M47-F161 HydrophobicContact CE-CE2 4.16Å; M47-F161 HydrophobicContact CE-CZ 3.73Å; M47-F161 HydrophobicContact SD-CE1 4.13Å; M47-F161 HydrophobicContact SD-CZ 4.04Å; M47-W180 HydrophobicContact CE-CZ2 3.96Å; M47-W180 HydrophobicContact SD-CZ2 4.07Å
48L97.8Very high96.3Very high10 Ų1049.1 Ų49.15%0.05224%0.238CC..Hα-helixtrans-56.5-48172.6176.557.3000111R35 P44 E45 F50 R51 L52R35-L48 HydrophobicContact CG-CD1 4.03Å; P44-L48 PolarHBondContact O-N 3.06Å; E45-L48 PolarHBondContact O-N 2.73Å; L48-F50 VanDerWaalsContact C-N 3.29Å; L48-F50 PolarHBondContact O-N 2.85Å; L48-R51 PolarHBondContact O-N 3.1Å; L48-L52 HydrophobicContact CD1-CD1 3.96Å; L48-L52 HydrophobicContact CD1-CG 3.99Å; L48-L52 HydrophobicContact CG-CD1 4.01Å; L48-L52 HydrophobicContact CG-CG 4.45Å; L48-L52 WeakPolarHBondContact O-CB 3.46Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 2.98Å
49D97.9Very high96.4Very high69 Ų6954.8 Ų54.837%0.36926%0.26SS..Hα-helixtrans-57.2-41.3174.7-98.4-9.6000112.8E45 M47 K53E45-D49 PolarHBondContact O-N 2.7Å; M47-D49 VanDerWaalsContact C-N 3.31Å; M47-D49 PolarHBondContact O-N 3.17Å; D49-K53 WeakPolarHBondContact O-CB 3.43Å; D49-K53 WeakPolarHBondContact O-CD 3.38Å; D49-K53 WeakPolarHBondContact O-CG 3.41Å; D49-K53 PolarHBondContact O-N 2.77Å
50F98.2Very high96.5Very high38 Ų3857.7 Ų57.717%0.16727%0.267CS..Hα-helixtrans-63.9-47.1176.1174-91.4000111.4W46 M47 L48 K53 S54 F161 A162 A167 S177W46-F50 WeakPolarHBondContact O-CB 3.5Å; W46-F50 PolarHBondContact O-N 2.84Å; M47-F50 WeakPolarHBondContact O-CB 3.39Å; M47-F50 PolarHBondContact O-N 3.38Å; M47-F50 VanDerWaalsContact O-N 3.1Å; M47-F50 HydrophobicContact SD-CB 4.43Å; M47-F50 HydrophobicContact SD-CD1 3.95Å; L48-F50 VanDerWaalsContact C-N 3.29Å; L48-F50 PolarHBondContact O-N 2.85Å; F50-K53 PolarHBondContact O-N 2.88Å; F50-S54 WeakPolarHBondContact O-CB 3.47Å; F50-S54 PolarHBondContact O-N 3.38Å; F50-S54 PolarHBondContact O-OG 3.02Å; F50-F161 AromaticContact CD1-CE1 3.67Å; F50-F161 HydrophobicContact CD1-CE1 3.67Å; F50-F161 HydrophobicContact CD1-CZ 4.09Å; F50-F161 HydrophobicContact CD2-CE1 4.27Å; F50-F161 AromaticContact CE1-CE1 3.35Å; F50-F161 HydrophobicContact CE1-CE1 3.35Å; F50-F161 AromaticContact CE1-CZ 3.6Å; F50-F161 HydrophobicContact CE1-CZ 3.6Å; F50-F161 AromaticContact CE2-CE1 3.98Å; F50-F161 HydrophobicContact CE2-CE1 3.98Å; F50-F161 HydrophobicContact CG-CE1 4.13Å; F50-F161 HydrophobicContact CZ-CD1 4.46Å; F50-F161 AromaticContact CZ-CE1 3.52Å; F50-F161 HydrophobicContact CZ-CE1 3.52Å; F50-F161 HydrophobicContact CZ-CZ 4.06Å; F50-A162 HydrophobicContact CE2-CB 3.79Å; F50-A162 HydrophobicContact CZ-CB 3.81Å; F50-A167 HydrophobicContact CE2-CB 4.24Å; F50-A167 HydrophobicContact CZ-CB 4.05Å; F50-S177 VanDerWaalsContact CE1-CB 3.49Å; F50-S177 WeakPolarHBondContact CE1-O 3.24Å
51R98.2Very high96.9Very high0 Ų056.4 Ų56.40%026%0.261CS..Hα-helixtrans-60.5-46.6178.2-70.5178.7175.9-80.82.8111.7V34 E43 M47 L48 K53 S54 L55 A178 V179 W180V34-R51 HydrophobicContact CG1-CB 3.54Å; E43-R51 VanDerWaalsContact CD-NE 3.32Å; E43-R51 IonicContact OE1-CZ 3.89Å; E43-R51 VanDerWaalsContact OE1-CZ 3.25Å; E43-R51 IonicContact OE1-NE 2.83Å; E43-R51 PolarHBondContact OE1-NE 3.11Å; E43-R51 IonicContact OE1-NH2 2.79Å; E43-R51 PolarHBondContact OE1-NH2 3.39Å; E43-R51 WeakPolarHBondContact OE2-CD 3.16Å; E43-R51 IonicContact OE2-CZ 2.63Å; E43-R51 IonicContact OE2-NE 2.66Å; E43-R51 PolarHBondContact OE2-NE 3.16Å; E43-R51 IonicContact OE2-NH2 3.96Å; M47-R51 HydrophobicContact CG-CG 4.47Å; M47-R51 WeakPolarHBondContact O-CG 3.29Å; M47-R51 PolarHBondContact O-N 3.44Å; M47-R51 HydrophobicContact SD-CG 4.37Å; L48-R51 PolarHBondContact O-N 3.1Å; R51-K53 PolarHBondContact O-N 3.24Å; R51-S54 WeakPolarHBondContact O-CB 3.43Å; R51-S54 PolarHBondContact O-N 3.24Å; R51-S54 VanDerWaalsContact O-N 3.16Å; R51-L55 PolarHBondContact O-N 3.46Å; R51-A178 WeakPolarHBondContact CB-O 3.33Å; R51-A178 WeakPolarHBondContact CG-O 3.42Å; R51-A178 PolarHBondContact NH1-O 3.16Å; R51-A178 VanDerWaalsContact NH1-O 3.12Å; R51-V179 VanDerWaalsContact NH1-C 3.32Å; R51-W180 VanDerWaalsContact NH1-N 3.16Å; R51-W180 PolarHBondContact NH1-O 2.86Å; R51-W180 PolarHBondContact NH2-O 2.86Å
52L98.5Very high97.1Very high14 Ų1461 Ų617%0.07329%0.292CS..Hα-helixtrans-65.2-37.9179.2-68.3176.1000113.1E31 V34 R35 L48 S54 K56E31-L52 HydrophobicContact CG-CD2 3.68Å; V34-L52 HydrophobicContact CB-CD2 4.37Å; V34-L52 HydrophobicContact CG1-CD2 3.94Å; V34-L52 HydrophobicContact CG1-CG 4.45Å; R35-L52 HydrophobicContact CG-CD2 4.33Å; L48-L52 HydrophobicContact CD1-CD1 3.96Å; L48-L52 HydrophobicContact CD1-CG 3.99Å; L48-L52 HydrophobicContact CG-CD1 4.01Å; L48-L52 HydrophobicContact CG-CG 4.45Å; L48-L52 WeakPolarHBondContact O-CB 3.46Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 2.98Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-K56 WeakPolarHBondContact O-CG 3.42Å; L52-K56 PolarHBondContact O-N 2.83Å
53K98.2Very high97.2Very high126 Ų12657.3 Ų57.355%0.54827%0.271SS..Hα-helixtrans-65.3-40.7172.6-74.2166-170.9157.50111D49 F50 R51 K56 L57D49-K53 WeakPolarHBondContact O-CB 3.43Å; D49-K53 WeakPolarHBondContact O-CD 3.38Å; D49-K53 WeakPolarHBondContact O-CG 3.41Å; D49-K53 PolarHBondContact O-N 2.77Å; F50-K53 PolarHBondContact O-N 2.88Å; R51-K53 PolarHBondContact O-N 3.24Å; K53-K56 PolarHBondContact O-N 3.32Å; K53-L57 WeakPolarHBondContact O-CG 3.38Å; K53-L57 PolarHBondContact O-N 3.49Å
54S98.5Very high97.2Very high1 Ų157.6 Ų57.61%0.00728%0.275CS..Hα-helixtrans-63.6-41.2178.2-56.40000112F50 R51 L52 K56 L57 F58 A167 A174 S177F50-S54 WeakPolarHBondContact O-CB 3.47Å; F50-S54 PolarHBondContact O-N 3.38Å; F50-S54 PolarHBondContact O-OG 3.02Å; R51-S54 WeakPolarHBondContact O-CB 3.43Å; R51-S54 PolarHBondContact O-N 3.24Å; R51-S54 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.34Å; S54-K56 VanDerWaalsContact C-N 3.35Å; S54-K56 PolarHBondContact O-N 3.39Å; S54-L57 WeakPolarHBondContact O-CB 3.17Å; S54-L57 PolarHBondContact O-N 3.31Å; S54-L57 VanDerWaalsContact O-N 3.13Å; S54-F58 PolarHBondContact O-N 2.94Å; S54-A167 WeakPolarHBondContact OG-CB 3.3Å; S54-A174 WeakPolarHBondContact CB-O 3.42Å; S54-S177 VanDerWaalsContact OG-CB 3.28Å; S54-S177 WeakPolarHBondContact OG-CB 3.37Å
55L98.2Very high97.1Very high10 Ų1064.5 Ų64.55%0.05231%0.305CS..Hα-helixtrans-57.3-46173.5-178.365.3000112L29 E31 V34 R51 L57 F58 Y59 A178L29-L55 HydrophobicContact CD1-CD1 3.97Å; L29-L55 HydrophobicContact CD2-CD1 3.73Å; L29-L55 HydrophobicContact CG-CD1 3.56Å; E31-L55 HydrophobicContact CB-CD2 4.11Å; V34-L55 HydrophobicContact CG2-CD1 4.39Å; V34-L55 HydrophobicContact CG2-CD2 4.03Å; R51-L55 PolarHBondContact O-N 3.46Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 3.35Å; L55-F58 WeakPolarHBondContact O-CB 3.42Å; L55-F58 PolarHBondContact O-N 2.79Å; L55-Y59 HydrophobicContact CD1-CD2 4.09Å; L55-Y59 HydrophobicContact CD1-CE2 3.66Å; L55-Y59 HydrophobicContact CG-CD2 4.27Å; L55-Y59 HydrophobicContact CG-CE2 4.18Å; L55-Y59 WeakPolarHBondContact O-CD2 3.22Å; L55-Y59 PolarHBondContact O-N 3.08Å; L55-A178 HydrophobicContact CB-CB 4.06Å
56K98.1Very high96.9Very high139 Ų13964.6 Ų64.660%0.60430%0.3SS*.Hα-helixtrans-63.3-38.3176.8-69172.2-176.7173.80112L52 K53 S54 K60L52-K56 WeakPolarHBondContact O-CG 3.42Å; L52-K56 PolarHBondContact O-N 2.83Å; K53-K56 PolarHBondContact O-N 3.32Å; S54-K56 VanDerWaalsContact C-N 3.35Å; S54-K56 PolarHBondContact O-N 3.39Å; K56-K60 WeakPolarHBondContact O-CB 3.35Å; K56-K60 PolarHBondContact O-N 3.02Å
57L98Very high96.6Very high55 Ų5562.6 Ų62.629%0.28830%0.297SS..Hα-helixtrans-64.8-44.3175.2-71.3172.4000111.4K53 S54 L55 Y59 K60 M61 A167 A168 A174K53-L57 WeakPolarHBondContact O-CG 3.38Å; K53-L57 PolarHBondContact O-N 3.49Å; S54-L57 WeakPolarHBondContact O-CB 3.17Å; S54-L57 PolarHBondContact O-N 3.31Å; S54-L57 VanDerWaalsContact O-N 3.13Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 3.35Å; L57-Y59 PolarHBondContact O-N 2.91Å; L57-K60 PolarHBondContact O-N 3.04Å; L57-K60 VanDerWaalsContact O-N 3.11Å; L57-M61 HydrophobicContact CB-CE 4.44Å; L57-M61 WeakPolarHBondContact O-CG 3.28Å; L57-M61 PolarHBondContact O-N 2.84Å; L57-A167 HydrophobicContact CD1-CB 4.07Å; L57-A168 HydrophobicContact CD1-CB 4.12Å; L57-A174 HydrophobicContact CB-CB 4.17Å
58F97.8Very high96.2Very high2 Ų263.7 Ų63.71%0.00931%0.309CS..Hα-helixtrans-54.7-48.8177.7170.6-102.6000112.1L29 S54 L55 K60 M61 F75 K171 A174 L175L29-F58 HydrophobicContact CD2-CD1 3.52Å; L29-F58 HydrophobicContact CD2-CE1 3.46Å; L29-F58 VanDerWaalsContact CD2-CE1 3.46Å; L29-F58 HydrophobicContact CD2-CG 4.37Å; L29-F58 HydrophobicContact CD2-CZ 4.26Å; S54-F58 PolarHBondContact O-N 2.94Å; L55-F58 WeakPolarHBondContact O-CB 3.42Å; L55-F58 PolarHBondContact O-N 2.79Å; F58-K60 VanDerWaalsContact C-N 3.31Å; F58-K60 PolarHBondContact O-N 3.33Å; F58-M61 PolarHBondContact O-N 3.15Å; F58-F75 HydrophobicContact CE1-CG 4.45Å; F58-F75 HydrophobicContact CE2-CD1 4.49Å; F58-F75 HydrophobicContact CE2-CE1 4.13Å; F58-F75 HydrophobicContact CE2-CE2 4.45Å; F58-F75 HydrophobicContact CE2-CZ 4.11Å; F58-F75 AromaticContact CZ-CD1 3.81Å; F58-F75 HydrophobicContact CZ-CD1 3.81Å; F58-F75 AromaticContact CZ-CD2 3.81Å; F58-F75 HydrophobicContact CZ-CD2 3.81Å; F58-F75 AromaticContact CZ-CE1 3.84Å; F58-F75 HydrophobicContact CZ-CE1 3.84Å; F58-F75 AromaticContact CZ-CE2 3.84Å; F58-F75 HydrophobicContact CZ-CE2 3.84Å; F58-F75 AromaticContact CZ-CG 3.79Å; F58-F75 HydrophobicContact CZ-CG 3.79Å; F58-F75 AromaticContact CZ-CZ 3.85Å; F58-F75 HydrophobicContact CZ-CZ 3.85Å; F58-K171 HydrophobicContact CD2-CD 4.44Å; F58-K171 HydrophobicContact CD2-CG 3.57Å; F58-K171 WeakPolarHBondContact CD2-O 3.47Å; F58-K171 HydrophobicContact CE2-CD 4.13Å; F58-K171 VanDerWaalsContact CE2-CE 3.49Å; F58-K171 HydrophobicContact CE2-CG 3.64Å; F58-K171 PolarHBondContact O-NZ 3.42Å; F58-A174 HydrophobicContact CB-CB 3.99Å; F58-L175 HydrophobicContact CD2-CB 3.7Å; F58-L175 HydrophobicContact CD2-CD1 4.23Å; F58-L175 HydrophobicContact CD2-CG 4.44Å; F58-L175 HydrophobicContact CE1-CD1 4.47Å; F58-L175 HydrophobicContact CE2-CB 3.88Å; F58-L175 HydrophobicContact CE2-CD1 4.1Å; F58-L175 HydrophobicContact CE2-CD2 4.08Å; F58-L175 HydrophobicContact CE2-CG 4.26Å; F58-L175 HydrophobicContact CG-CB 4.45Å; F58-L175 HydrophobicContact CG-CD1 4.45Å; F58-L175 HydrophobicContact CZ-CD1 4.23Å; F58-L175 HydrophobicContact CZ-CD2 4.5Å
59Y97.2Very high95.9Very high123 Ų12367.9 Ų67.948%0.48233%0.331SS..Hα-helixtrans-70-25.9178.9-79.2-63.6000113.8L29 L55 L57L29-Y59 HydrophobicContact CD2-CE2 4.38Å; L29-Y59 PolarHBondContact O-OH 2.95Å; L55-Y59 HydrophobicContact CD1-CD2 4.09Å; L55-Y59 HydrophobicContact CD1-CE2 3.66Å; L55-Y59 HydrophobicContact CG-CD2 4.27Å; L55-Y59 HydrophobicContact CG-CE2 4.18Å; L55-Y59 WeakPolarHBondContact O-CD2 3.22Å; L55-Y59 PolarHBondContact O-N 3.08Å; L57-Y59 PolarHBondContact O-N 2.91Å
60K97.3Very high95.8Very high181 Ų18165.2 Ų65.279%0.78732%0.317SS*.Hα-helixtrans-76.9-28.9176.3-173.1177.8177.7-177.10112.7K56 L57 F58K56-K60 WeakPolarHBondContact O-CB 3.35Å; K56-K60 PolarHBondContact O-N 3.02Å; L57-K60 PolarHBondContact O-N 3.04Å; L57-K60 VanDerWaalsContact O-N 3.11Å; F58-K60 VanDerWaalsContact C-N 3.31Å; F58-K60 PolarHBondContact O-N 3.33Å
61M96.8Very high95.4Very high42 Ų4268 Ų6821%0.20734%0.34CS..SBendtrans-82.1135.3-177.6-69.7-180-175.200112L57 F58 A168 N170 K171 A174L57-M61 HydrophobicContact CB-CE 4.44Å; L57-M61 WeakPolarHBondContact O-CG 3.28Å; L57-M61 PolarHBondContact O-N 2.84Å; F58-M61 PolarHBondContact O-N 3.15Å; M61-A168 HydrophobicContact CE-CB 4.34Å; M61-A168 WeakPolarHBondContact CE-O 3.25Å; M61-N170 VanDerWaalsContact SD-C 3.51Å; M61-K171 HydrophobicContact CB-CB 4.08Å; M61-K171 HydrophobicContact CB-CG 4.22Å; M61-K171 PolarHBondContact O-NZ 3.3Å; M61-K171 HydrophobicContact SD-CB 4.38Å; M61-K171 PolarHBondContact SD-N 2.94Å; M61-A174 HydrophobicContact SD-CB 4.47Å
62P95.2Very high95Very high109 Ų10973.6 Ų73.671%0.70837%0.367SS*.PPolyproline II helixtrans-70.9155.2175.331.7-35.4000111.3K171P62-K171 WeakPolarHBondContact O-CD 3.21Å
63M95.1Very high94.6Very high47 Ų4773.7 Ų73.723%0.23237%0.367CS..PPolyproline II helixtrans-62.5134.8168.1-76.2-63.4-77.400110.2Q65 L70 L73 F75 K171 F172M63-Q65 PolarHBondContact O-N 2.86Å; M63-Q65 PolarHBondContact O-NE2 2.86Å; M63-L70 HydrophobicContact CE-CB 3.58Å; M63-L70 HydrophobicContact CE-CD1 3.92Å; M63-L70 HydrophobicContact CE-CG 4.3Å; M63-L73 HydrophobicContact CE-CD2 4.43Å; M63-F75 HydrophobicContact CE-CE2 4.09Å; M63-F75 HydrophobicContact CE-CZ 3.99Å; M63-F75 HydrophobicContact SD-CE2 3.58Å; M63-F75 VanDerWaalsContact SD-CE2 3.58Å; M63-F75 HydrophobicContact SD-CZ 3.69Å; M63-K171 HydrophobicContact CG-CD 4.34Å; M63-K171 HydrophobicContact SD-CD 3.57Å; M63-K171 VanDerWaalsContact SD-CD 3.57Å; M63-K171 WeakPolarHBondContact SD-CE 3.46Å; M63-F172 HydrophobicContact CE-CZ 4.09Å; M63-F172 HydrophobicContact SD-CZ 4.36Å
64P94.1Very high94.2Very high29 Ų2971.1 Ų71.119%0.18836%0.36CS..PPolyproline II helixtrans-61.4138.2175.824.4-29.2000110.1L70 F172P64-L70 HydrophobicContact CG-CD1 3.66Å; P64-F172 HydrophobicContact CG-CE2 3.75Å; P64-F172 HydrophobicContact CG-CZ 4.33Å
65Q92.9Very high93.9Very high174 Ų17472.3 Ų72.381%0.81337%0.365SS*.SBendtrans-100.617.9-179.4-57.8-62-61.900111.9M63M63-Q65 PolarHBondContact O-N 2.86Å; M63-Q65 PolarHBondContact O-NE2 2.86Å
66W92.8Very high93.5Very high130 Ų13076.5 Ų76.549%0.49239%0.387SS..SBendtrans-140.1164.1-175.162.7-87.3000109.3G68 M297 Y299W66-G68 PolarHBondContact O-N 2.64Å; W66-M297 HydrophobicContact CD2-CE 4.48Å; W66-M297 HydrophobicContact CE3-CE 4.05Å; W66-M297 HydrophobicContact CH2-CE 4.1Å; W66-M297 HydrophobicContact CZ3-CE 3.85Å; W66-Y299 AromaticContact CH2-CE2 3.96Å; W66-Y299 HydrophobicContact CH2-CE2 3.96Å; W66-Y299 AromaticContact CZ3-CE2 3.92Å; W66-Y299 HydrophobicContact CZ3-CE2 3.92Å; W66-Y299 AromaticContact CZ3-CZ 3.96Å
67G89.7Confident93.1Very high15 Ų1573.4 Ų73.416%0.15538%0.377CS..SBendtrans97.9-78-177.200000111.8D326G67-D326 VanDerWaalsContact CA-OD2 3.31Å; G67-D326 WeakPolarHBondContact CA-OD2 3.09Å
68G89.8Confident92.7Very high24 Ų2471.1 Ų71.125%0.24737%0.365CS..SBendtrans-155.2-175.9174.800000112.3W66 L70W66-G68 PolarHBondContact O-N 2.64Å; G68-L70 PolarHBondContact O-N 3.06Å
69D92.4Very high92.4Very high97 Ų9771.2 Ų71.252%0.51937%0.366SS..  trans-79.3117.5179.4-172.94.4000111.4S71 Y269D69-S71 VanDerWaalsContact CG-OG 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.46Å; D69-S71 PolarHBondContact OD1-N 2.9Å; D69-S71 PolarHBondContact OD1-OG 2.67Å; D69-S71 PolarHBondContact OD2-OG 3.12Å; D69-Y269 WeakPolarHBondContact O-CE1 3.43Å
70L94.2Very high92Very high14 Ų1465.4 Ų65.47%0.07334%0.343CS..  trans-111.89.9178.9-63.8167.3000112.2M63 P64 G68 E72 L73 F172 Y269 L271 L295 M297M63-L70 HydrophobicContact CE-CB 3.58Å; M63-L70 HydrophobicContact CE-CD1 3.92Å; M63-L70 HydrophobicContact CE-CG 4.3Å; P64-L70 HydrophobicContact CG-CD1 3.66Å; G68-L70 PolarHBondContact O-N 3.06Å; L70-E72 VanDerWaalsContact C-N 3.27Å; L70-E72 PolarHBondContact O-N 3.2Å; L70-L73 WeakPolarHBondContact O-CB 3.37Å; L70-L73 PolarHBondContact O-N 3.43Å; L70-L73 VanDerWaalsContact O-N 3.16Å; L70-F172 HydrophobicContact CD1-CE2 4.26Å; L70-F172 HydrophobicContact CD1-CZ 4.02Å; L70-Y269 HydrophobicContact CD2-CD1 3.82Å; L70-Y269 HydrophobicContact CD2-CE1 4Å; L70-L271 HydrophobicContact CD2-CD1 3.74Å; L70-L271 HydrophobicContact CD2-CD2 4.13Å; L70-L295 HydrophobicContact CD2-CD2 3.66Å; L70-L295 HydrophobicContact CG-CD2 4.11Å; L70-M297 HydrophobicContact CD1-SD 4.45Å
71S90.9Very high91.6Very high95 Ų9556.8 Ų56.866%0.66431%0.306SS*.THydrogen-bonded Turntrans-66.5-26.4-174.462.80000114D69 L73D69-S71 VanDerWaalsContact CG-OG 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.46Å; D69-S71 PolarHBondContact OD1-N 2.9Å; D69-S71 PolarHBondContact OD1-OG 2.67Å; D69-S71 PolarHBondContact OD2-OG 3.12Å; S71-L73 VanDerWaalsContact C-N 3.34Å
72E88.6Confident91Very high118 Ų11854.8 Ų54.855%0.55130%0.296SS*.THydrogen-bonded Turntrans-83-8.9176.2-66.8177.5-128.700113.5L70 N74 K294L70-E72 VanDerWaalsContact C-N 3.27Å; L70-E72 PolarHBondContact O-N 3.2Å; E72-N74 PolarHBondContact O-N 3.38Å; E72-N74 VanDerWaalsContact O-N 3.11Å; E72-K294 IonicContact OE1-NZ 3.63Å; E72-K294 PolarHBondContact OE1-NZ 2.7Å; E72-K294 IonicContact OE2-NZ 2.71Å; E72-K294 PolarHBondContact OE2-NZ 3.06Å
73L90.1Very high90.3Very high17 Ų1751.4 Ų51.49%0.08927%0.27CS..  trans-77.4101.2-179.3-173.266000110.3M63 L70 S71 F75 I78 F172 L241 Y269 L271M63-L73 HydrophobicContact CE-CD2 4.43Å; L70-L73 WeakPolarHBondContact O-CB 3.37Å; L70-L73 PolarHBondContact O-N 3.43Å; L70-L73 VanDerWaalsContact O-N 3.16Å; S71-L73 VanDerWaalsContact C-N 3.34Å; L73-F75 HydrophobicContact CD2-CE1 3.6Å; L73-F75 HydrophobicContact CD2-CE2 4.49Å; L73-F75 HydrophobicContact CD2-CZ 3.59Å; L73-F75 HydrophobicContact CG-CE1 4.05Å; L73-F75 HydrophobicContact CG-CZ 4.14Å; L73-I78 HydrophobicContact CD1-CD1 4.09Å; L73-F172 HydrophobicContact CD2-CE1 4.19Å; L73-L241 HydrophobicContact CD1-CB 4.27Å; L73-L241 HydrophobicContact CD1-CD1 4.48Å; L73-L241 HydrophobicContact CD1-CD2 4.35Å; L73-L241 HydrophobicContact CD2-CD1 4.34Å; L73-L241 HydrophobicContact CD2-CD2 4.32Å; L73-Y269 HydrophobicContact CD1-CD2 3.98Å; L73-Y269 HydrophobicContact CD1-CE2 4.46Å; L73-Y269 HydrophobicContact CD1-CG 4.41Å; L73-L271 HydrophobicContact CD2-CD1 4.18Å
74N90.7Very high89.4Confident72 Ų7249.4 Ų49.439%0.38526%0.261SS..  trans-97107.2173.6-171.73.2000111.5E72 D76 D77E72-N74 PolarHBondContact O-N 3.38Å; E72-N74 VanDerWaalsContact O-N 3.11Å; N74-D76 PolarHBondContact O-N 3.09Å; N74-D76 PolarHBondContact OD1-N 3.27Å; N74-D77 HydrophobicContact CB-CB 4.29Å; N74-D77 PolarHBondContact ND2-OD2 2.92Å; N74-D77 PolarHBondContact O-N 2.91Å
75F91.8Very high88.3Confident26 Ų2648.5 Ų48.511%0.11426%0.255CS..THydrogen-bonded Turntrans-65.1-22.1178.8-61.8-69.9000113.8F58 M63 L73 D77 I78 Y80 F172 L175 L241F58-F75 HydrophobicContact CE1-CG 4.45Å; F58-F75 HydrophobicContact CE2-CD1 4.49Å; F58-F75 HydrophobicContact CE2-CE1 4.13Å; F58-F75 HydrophobicContact CE2-CE2 4.45Å; F58-F75 HydrophobicContact CE2-CZ 4.11Å; F58-F75 AromaticContact CZ-CD1 3.81Å; F58-F75 HydrophobicContact CZ-CD1 3.81Å; F58-F75 AromaticContact CZ-CD2 3.81Å; F58-F75 HydrophobicContact CZ-CD2 3.81Å; F58-F75 AromaticContact CZ-CE1 3.84Å; F58-F75 HydrophobicContact CZ-CE1 3.84Å; F58-F75 AromaticContact CZ-CE2 3.84Å; F58-F75 HydrophobicContact CZ-CE2 3.84Å; F58-F75 AromaticContact CZ-CG 3.79Å; F58-F75 HydrophobicContact CZ-CG 3.79Å; F58-F75 AromaticContact CZ-CZ 3.85Å; F58-F75 HydrophobicContact CZ-CZ 3.85Å; M63-F75 HydrophobicContact CE-CE2 4.09Å; M63-F75 HydrophobicContact CE-CZ 3.99Å; M63-F75 HydrophobicContact SD-CE2 3.58Å; M63-F75 VanDerWaalsContact SD-CE2 3.58Å; M63-F75 HydrophobicContact SD-CZ 3.69Å; L73-F75 HydrophobicContact CD2-CE1 3.6Å; L73-F75 HydrophobicContact CD2-CE2 4.49Å; L73-F75 HydrophobicContact CD2-CZ 3.59Å; L73-F75 HydrophobicContact CG-CE1 4.05Å; L73-F75 HydrophobicContact CG-CZ 4.14Å; F75-D77 VanDerWaalsContact C-N 3.33Å; F75-I78 HydrophobicContact CD1-CD1 4.38Å; F75-Y80 WeakPolarHBondContact CA-OH 3.31Å; F75-Y80 WeakPolarHBondContact CB-OH 3.19Å; F75-Y80 VanDerWaalsContact O-CE2 3.3Å; F75-Y80 WeakPolarHBondContact O-CE2 3.47Å; F75-Y80 PolarHBondContact O-OH 2.88Å; F75-F172 HydrophobicContact CE1-CE1 4.25Å; F75-F172 HydrophobicContact CZ-CE1 4Å; F75-L175 HydrophobicContact CD1-CD2 4.11Å; F75-L175 HydrophobicContact CE1-CD2 3.85Å; F75-L241 HydrophobicContact CE1-CD2 4.17Å
76D90.8Very high87.1Confident97 Ų9748 Ų4852%0.51925%0.252SS..THydrogen-bonded Turntrans-79.8-16.4179.7-66.9-27.2000112.7R27 G28 N74R27-D76 CarbonylContact C-O 3.52Å; G28-D76 WeakPolarHBondContact CA-O 3.43Å; G28-D76 PolarHBondContact N-O 3.33Å; G28-D76 VanDerWaalsContact N-O 3.16Å; N74-D76 PolarHBondContact O-N 3.09Å; N74-D76 PolarHBondContact OD1-N 3.27Å
77D88.6Confident86Confident75 Ų7547.4 Ų47.440%0.40126%0.255SS..SBendtrans-92.7-9.3179.2-70.8-29.1000113.3R27 N74 F75R27-D77 WeakPolarHBondContact CD-O 3.22Å; N74-D77 HydrophobicContact CB-CB 4.29Å; N74-D77 PolarHBondContact ND2-OD2 2.92Å; N74-D77 PolarHBondContact O-N 2.91Å; F75-D77 VanDerWaalsContact C-N 3.33Å
78I89.9Confident85.1Confident6 Ų648.6 Ų48.63%0.03126%0.263CS..  trans-83.1137.4-176.4-64.3173.1000110.4G28 L73 F75 Y80 N208 L241G28-I78 PolarHBondContact N-O 2.75Å; L73-I78 HydrophobicContact CD1-CD1 4.09Å; F75-I78 HydrophobicContact CD1-CD1 4.38Å; I78-Y80 HydrophobicContact CB-CD2 4.43Å; I78-Y80 HydrophobicContact CB-CE2 3.8Å; I78-Y80 HydrophobicContact CG2-CD1 4.33Å; I78-Y80 HydrophobicContact CG2-CD2 4.18Å; I78-Y80 HydrophobicContact CG2-CE1 4.09Å; I78-Y80 HydrophobicContact CG2-CE2 3.94Å; I78-Y80 HydrophobicContact CG2-CG 4.37Å; I78-Y80 WeakPolarHBondContact O-CD2 3.16Å; I78-Y80 WeakPolarHBondContact O-CE2 3.46Å; I78-N208 WeakPolarHBondContact CA-O 3.46Å; I78-L241 HydrophobicContact CD1-CB 3.93Å; I78-L241 HydrophobicContact CD1-CD2 3.9Å
79T90.7Very high84.5Confident5 Ų549.2 Ų49.23%0.03126%0.26CS..BIsolated β-bridgetrans-88.2120.7163.1-51.50000108.7V82 N208 G210T79-V82 HydrophobicContact CG2-CG2 3.67Å; T79-N208 PolarHBondContact N-O 2.85Å; T79-G210 PolarHBondContact O-N 2.89Å
80Y90.2Very high83.4Confident0 Ų053.1 Ų53.10%027%0.268CS..  trans-91.7-19.8-171.2-73.3-88.9000114.2G28 L29 F75 I78 L175 V179 F212G28-Y80 VanDerWaalsContact C-CE2 3.41Å; G28-Y80 WeakPolarHBondContact O-CD2 3.39Å; G28-Y80 VanDerWaalsContact O-CE2 3.24Å; G28-Y80 WeakPolarHBondContact O-CE2 3.39Å; L29-Y80 HydrophobicContact CB-CD2 4.44Å; L29-Y80 HydrophobicContact CB-CE2 3.77Å; L29-Y80 HydrophobicContact CD1-CD1 4.11Å; L29-Y80 HydrophobicContact CD1-CD2 4.41Å; L29-Y80 HydrophobicContact CD1-CE1 4.05Å; L29-Y80 HydrophobicContact CD1-CE2 4.34Å; L29-Y80 HydrophobicContact CD1-CG 4.29Å; F75-Y80 WeakPolarHBondContact CA-OH 3.31Å; F75-Y80 WeakPolarHBondContact CB-OH 3.19Å; F75-Y80 VanDerWaalsContact O-CE2 3.3Å; F75-Y80 WeakPolarHBondContact O-CE2 3.47Å; F75-Y80 PolarHBondContact O-OH 2.88Å; I78-Y80 HydrophobicContact CB-CD2 4.43Å; I78-Y80 HydrophobicContact CB-CE2 3.8Å; I78-Y80 HydrophobicContact CG2-CD1 4.33Å; I78-Y80 HydrophobicContact CG2-CD2 4.18Å; I78-Y80 HydrophobicContact CG2-CE1 4.09Å; I78-Y80 HydrophobicContact CG2-CE2 3.94Å; I78-Y80 HydrophobicContact CG2-CG 4.37Å; I78-Y80 WeakPolarHBondContact O-CD2 3.16Å; I78-Y80 WeakPolarHBondContact O-CE2 3.46Å; Y80-L175 HydrophobicContact CE1-CD1 3.84Å; Y80-V179 HydrophobicContact CD1-CB 4.19Å; Y80-V179 HydrophobicContact CD1-CG1 4.08Å; Y80-V179 HydrophobicContact CD1-CG2 3.73Å; Y80-V179 HydrophobicContact CE1-CG2 4.45Å; Y80-V179 HydrophobicContact CG-CG1 4.4Å; Y80-F212 HydrophobicContact CD1-CD2 4.16Å; Y80-F212 HydrophobicContact CD1-CE1 4.45Å; Y80-F212 AromaticContact CD1-CE2 3.28Å; Y80-F212 HydrophobicContact CD1-CE2 3.28Å; Y80-F212 AromaticContact CD1-CZ 3.47Å; Y80-F212 HydrophobicContact CD1-CZ 3.47Å; Y80-F212 VanDerWaalsContact CD1-CZ 3.47Å; Y80-F212 HydrophobicContact CE1-CE1 4.32Å; Y80-F212 AromaticContact CE1-CE2 3.8Å; Y80-F212 HydrophobicContact CE1-CE2 3.8Å; Y80-F212 AromaticContact CE1-CZ 3.45Å; Y80-F212 HydrophobicContact CE1-CZ 3.45Å; Y80-F212 VanDerWaalsContact CE1-CZ 3.45Å; Y80-F212 HydrophobicContact CG-CE2 4.19Å
81Y88.2Confident82.4Confident0 Ų054.6 Ų54.60%028%0.279CS..  trans-146.9126.6179.7-178.9-107.4000111.1F23 S25 I37 M40 K83 S125 E126F23-Y81 AromaticContact CD1-CD1 3.77Å; F23-Y81 HydrophobicContact CD1-CD1 3.77Å; F23-Y81 AromaticContact CD1-CE1 3.8Å; F23-Y81 HydrophobicContact CD1-CE1 3.8Å; F23-Y81 AromaticContact CE1-CD1 3.74Å; F23-Y81 HydrophobicContact CE1-CD1 3.74Å; F23-Y81 HydrophobicContact CE1-CE1 4.1Å; S25-Y81 PolarHBondContact N-O 2.97Å; S25-Y81 PolarHBondContact OG-N 2.84Å; S25-Y81 PolarHBondContact OG-O 2.78Å; I37-Y81 HydrophobicContact CD1-CG 4.48Å; I37-Y81 HydrophobicContact CG1-CD1 4.24Å; I37-Y81 HydrophobicContact CG1-CD2 4.45Å; I37-Y81 HydrophobicContact CG1-CG 3.88Å; M40-Y81 HydrophobicContact CE-CE1 3.82Å; M40-Y81 HydrophobicContact SD-CD1 4.27Å; M40-Y81 HydrophobicContact SD-CE1 3.65Å; Y81-K83 HydrophobicContact CE1-CB 4.3Å; Y81-S125 WeakPolarHBondContact CA-OG 3.48Å; Y81-E126 HydrophobicContact CE2-CG 4.12Å; Y81-E126 PolarHBondContact OH-OE1 2.76Å
82V84.2Confident81.5Confident0 Ų051.9 Ų51.90%025%0.254CS..EExtended strand (participates in β ladder)trans-133.9119.8177.1175.90000107.7S21 F23 R24 T79 P84 E124 S125 M209S21-V82 VanDerWaalsContact CB-CG1 3.44Å; F23-V82 CarbonylContact O-C 3.55Å; F23-V82 WeakPolarHBondContact O-CA 3.23Å; R24-V82 HydrophobicContact CG-CG1 4.2Å; R24-V82 HydrophobicContact CG-CG2 4.24Å; T79-V82 HydrophobicContact CG2-CG2 3.67Å; V82-P84 WeakPolarHBondContact O-CD 3.4Å; V82-E124 HydrophobicContact CB-CB 4.11Å; V82-E124 HydrophobicContact CB-CG 4.49Å; V82-E124 HydrophobicContact CG1-CB 4.2Å; V82-E124 HydrophobicContact CG1-CG 4.11Å; V82-S125 PolarHBondContact N-OG 2.7Å; V82-S125 VanDerWaalsContact O-CB 3.22Å; V82-S125 WeakPolarHBondContact O-CB 3.33Å; V82-S125 PolarHBondContact O-OG 3.29Å; V82-M209 HydrophobicContact CB-SD 4.27Å; V82-M209 HydrophobicContact CG2-CG 4.09Å; V82-M209 HydrophobicContact CG2-SD 4.19Å
83K81.6Confident80.7Confident39 Ų3952.5 Ų52.517%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-93.6112.6178.3-171.9163.2-178.7176.80109.5S21 I22 F23 M40 Y81 S85 E86 E126S21-K83 CarbonylContact C-O 3.53Å; S21-K83 VanDerWaalsContact CA-O 3.32Å; S21-K83 WeakPolarHBondContact CA-O 3.2Å; S21-K83 WeakPolarHBondContact CB-O 3.46Å; I22-K83 HydrophobicContact CD1-CD 3.82Å; I22-K83 HydrophobicContact CD1-CG 3.85Å; I22-K83 HydrophobicContact CG1-CB 3.97Å; I22-K83 HydrophobicContact CG1-CD 4.14Å; I22-K83 HydrophobicContact CG1-CG 3.71Å; I22-K83 WeakPolarHBondContact CG1-O 3.46Å; I22-K83 PolarHBondContact N-O 2.81Å; F23-K83 HydrophobicContact CB-CB 3.94Å; F23-K83 PolarHBondContact N-O 2.93Å; F23-K83 PolarHBondContact O-N 3.16Å; M40-K83 HydrophobicContact CE-CD 4.26Å; Y81-K83 HydrophobicContact CE1-CB 4.3Å; K83-S85 WeakPolarHBondContact CE-O 3.3Å; K83-S85 WeakPolarHBondContact CG-O 3.38Å; K83-E86 WeakPolarHBondContact CE-O 3.46Å; K83-E86 PolarHBondContact NZ-O 3.39Å; K83-E126 VanDerWaalsContact CE-OE2 3.29Å; K83-E126 WeakPolarHBondContact CE-OE2 3.34Å; K83-E126 WeakPolarHBondContact CG-OE2 3.44Å
84P75.7Confident80.1Confident5 Ų557.1 Ų57.13%0.03228%0.282CS..  trans-82.6-29.5-174.233.9-38.3000114V82 I99 Y123 E126 V128V82-P84 WeakPolarHBondContact O-CD 3.4Å; P84-I99 HydrophobicContact CB-CD1 4.34Å; P84-Y123 HydrophobicContact CB-CD1 3.95Å; P84-Y123 WeakPolarHBondContact CG-O 3.41Å; P84-E126 HydrophobicContact CG-CB 4.28Å; P84-V128 HydrophobicContact CB-CG1 4.12Å; P84-V128 HydrophobicContact CG-CG1 3.43Å; P84-V128 VanDerWaalsContact CG-CG1 3.43Å
85S71.5Confident79.3Confident9 Ų953.8 Ų53.86%0.06327%0.265CS..SBendtrans-145.9165.4-177.161.50000110.6I22 K83 Q87I22-S85 WeakPolarHBondContact CD1-O 3.18Å; K83-S85 WeakPolarHBondContact CE-O 3.3Å; K83-S85 WeakPolarHBondContact CG-O 3.38Å; S85-Q87 PolarHBondContact OG-O 2.84Å
86E66.3Low78.6Confident163 Ų16354.4 Ų54.476%0.76227%0.271SS*.SBendtrans-65.8-38.9179.8-70.3-168.2163.900112.5I22 K83I22-E86 HydrophobicContact CD1-CB 4.45Å; I22-E86 HydrophobicContact CD1-CG 3.95Å; K83-E86 WeakPolarHBondContact CE-O 3.46Å; K83-E86 PolarHBondContact NZ-O 3.39Å
87Q69.5Low77.8Confident118 Ų11854.7 Ų54.755%0.55127%0.269SS*.SBendtrans-148.3166.7-178.964.3-177.217.100110.9S85 E89S85-Q87 PolarHBondContact OG-O 2.84Å; Q87-E89 WeakPolarHBondContact CG-OE1 3.15Å; Q87-E89 PolarHBondContact NE2-OE1 2.93Å; Q87-E89 VanDerWaalsContact NE2-OE1 3.08Å; Q87-E89 PolarHBondContact NE2-OE2 2.87Å
88A71.3Confident77Confident40 Ų4054.8 Ų54.833%0.33127%0.267SS..  trans-80.2133.7168.800000110.1V127A88-V127 VanDerWaalsContact CB-O 3.22Å; A88-V127 WeakPolarHBondContact CB-O 3.27Å
89E77.6Confident76.1Confident37 Ų3754.5 Ų54.517%0.17327%0.266CS..BIsolated β-bridgetrans-95.5145.1-178.6-59.4-61.4164.200111.7Q87 E94 V95 V128 Y129 H130Q87-E89 WeakPolarHBondContact CG-OE1 3.15Å; Q87-E89 PolarHBondContact NE2-OE1 2.93Å; Q87-E89 VanDerWaalsContact NE2-OE1 3.08Å; Q87-E89 PolarHBondContact NE2-OE2 2.87Å; E89-E94 HydrophobicContact CB-CB 3.92Å; E89-E94 HydrophobicContact CG-CB 3.92Å; E89-V95 HydrophobicContact CB-CG2 4.12Å; E89-V128 PolarHBondContact N-O 2.9Å; E89-Y129 WeakPolarHBondContact O-CA 3.37Å; E89-Y129 WeakPolarHBondContact O-CD2 3.29Å; E89-H130 PolarHBondContact O-N 3.4Å
90R68.6Low75.2Confident180 Ų18055.1 Ų55.168%0.67927%0.268SS*.SBendtrans-95.1-23.7178-67.1-174.4-179.2-161.8-1.5113H130R90-H130 WeakPolarHBondContact CA-O 3.3Å
91S72.7Confident74.5Confident44 Ų4462.6 Ų62.631%0.30830%0.296SS..SBendtrans-100.7133.6175.1-175.40000109.8D93 E94S91-D93 PolarHBondContact O-N 2.89Å; S91-D93 VanDerWaalsContact O-N 3.17Å; S91-D93 PolarHBondContact OG-N 3.27Å; S91-E94 WeakPolarHBondContact CB-OE2 3.21Å; S91-E94 PolarHBondContact O-N 2.89Å
92W72.5Confident73.6Confident39 Ų3962.6 Ų62.615%0.14830%0.296CS..G310 helixtrans-55.2-34173.4-170.3-112.3000112E94 V95 K100 F103 P109 Y129W92-E94 PolarHBondContact O-N 3.4Å; W92-V95 HydrophobicContact CE3-CG2 4.21Å; W92-V95 HydrophobicContact CZ3-CG2 4.4Å; W92-V95 PolarHBondContact O-N 2.98Å; W92-K100 HydrophobicContact CZ2-CB 4.17Å; W92-K100 HydrophobicContact CZ2-CG 4.11Å; W92-K100 VanDerWaalsContact O-CD 3.29Å; W92-K100 WeakPolarHBondContact O-CD 3.35Å; W92-K100 WeakPolarHBondContact O-CE 3.41Å; W92-K100 PolarHBondContact O-NZ 2.98Å; W92-F103 HydrophobicContact CH2-CB 3.36Å; W92-F103 AromaticContact CH2-CD2 3.71Å; W92-F103 HydrophobicContact CH2-CD2 3.71Å; W92-F103 AromaticContact CH2-CG 3.91Å; W92-F103 HydrophobicContact CH2-CG 3.91Å; W92-F103 HydrophobicContact CZ2-CB 3.87Å; W92-F103 HydrophobicContact CZ3-CB 4.47Å; W92-F103 HydrophobicContact CZ3-CD2 4.31Å; W92-P109 HydrophobicContact CD2-CG 4.02Å; W92-P109 HydrophobicContact CH2-CG 4.05Å; W92-P109 HydrophobicContact CZ2-CG 3.4Å; W92-Y129 HydrophobicContact CB-CE2 4.39Å; W92-Y129 AromaticContact CE3-CD1 3.78Å; W92-Y129 HydrophobicContact CE3-CD1 3.78Å; W92-Y129 AromaticContact CE3-CD2 3.97Å; W92-Y129 HydrophobicContact CE3-CD2 3.97Å; W92-Y129 AromaticContact CE3-CE1 3.71Å; W92-Y129 HydrophobicContact CE3-CE1 3.71Å; W92-Y129 AromaticContact CE3-CE2 3.96Å; W92-Y129 HydrophobicContact CE3-CE2 3.96Å; W92-Y129 AromaticContact CE3-CG 3.89Å; W92-Y129 HydrophobicContact CE3-CG 3.89Å; W92-Y129 AromaticContact CE3-CZ 3.83Å; W92-Y129 AromaticContact CZ3-CD1 3.67Å; W92-Y129 HydrophobicContact CZ3-CD1 3.67Å; W92-Y129 HydrophobicContact CZ3-CD2 4.41Å; W92-Y129 AromaticContact CZ3-CE1 3.99Å; W92-Y129 HydrophobicContact CZ3-CE1 3.99Å; W92-Y129 AromaticContact CZ3-CG 3.88Å; W92-Y129 HydrophobicContact CZ3-CG 3.88Å
93D72.7Confident72.8Confident130 Ų13062.6 Ų62.670%0.69530%0.296SS*.G310 helixtrans-68.9-17.1-179.2-67.8-30.4000113.5S91 K100S91-D93 PolarHBondContact O-N 2.89Å; S91-D93 VanDerWaalsContact O-N 3.17Å; S91-D93 PolarHBondContact OG-N 3.27Å; D93-K100 PolarHBondContact O-NZ 2.94Å
94E77.4Confident72.3Confident114 Ų11464.8 Ų64.853%0.53331%0.31SS..G310 helixtrans-95.8-17.3-176.4-68.6172.3159.700113.1E89 S91 W92E89-E94 HydrophobicContact CB-CB 3.92Å; E89-E94 HydrophobicContact CG-CB 3.92Å; S91-E94 WeakPolarHBondContact CB-OE2 3.21Å; S91-E94 PolarHBondContact O-N 2.89Å; W92-E94 PolarHBondContact O-N 3.4Å
95V74.5Confident71.9Confident3 Ų369.6 Ų69.62%0.01833%0.33CS..SBendtrans-57.7145.5177178.30000110.3E89 W92 I99 K100 Y129E89-V95 HydrophobicContact CB-CG2 4.12Å; W92-V95 HydrophobicContact CE3-CG2 4.21Å; W92-V95 HydrophobicContact CZ3-CG2 4.4Å; W92-V95 PolarHBondContact O-N 2.98Å; V95-I99 HydrophobicContact CG1-CB 3.96Å; V95-I99 HydrophobicContact CG1-CG2 3.63Å; V95-K100 HydrophobicContact CB-CD 4.36Å; V95-K100 HydrophobicContact CB-CG 3.69Å; V95-K100 HydrophobicContact CG1-CG 3.8Å; V95-K100 WeakPolarHBondContact O-CE 3.17Å; V95-Y129 HydrophobicContact CG2-CD2 3.86Å; V95-Y129 HydrophobicContact CG2-CG 4.2Å
96P75.5Confident71.6Confident38 Ų3870 Ų7025%0.24733%0.332CS..  trans-57.6142.5173.8-27.836000113E98 I99 K100P96-E98 VanDerWaalsContact C-N 3.34Å; P96-E98 PolarHBondContact O-N 2.9Å; P96-I99 HydrophobicContact CB-CB 4.45Å; P96-I99 HydrophobicContact CB-CD1 4.14Å; P96-I99 HydrophobicContact CB-CG1 4.27Å; P96-I99 HydrophobicContact CG-CD1 4.08Å; P96-I99 WeakPolarHBondContact O-CB 3.39Å; P96-I99 PolarHBondContact O-N 2.88Å; P96-I99 VanDerWaalsContact O-N 3.08Å; P96-K100 PolarHBondContact O-N 3.17Å
97E75.3Confident71.6Confident103 Ų10363.7 Ų63.748%0.48131%0.31SS..Hα-helixtrans-69.3-31.2-165.8-142.667.3164.400113.5K100 R101E97-K100 IonicContact OE1-NZ 3.4Å; E97-K100 WeakPolarHBondContact OE2-CD 3.42Å; E97-K100 WeakPolarHBondContact OE2-CE 3.44Å; E97-K100 IonicContact OE2-NZ 3.43Å; E97-K100 PolarHBondContact OE2-NZ 2.92Å; E97-R101 VanDerWaalsContact O-CG 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.29Å; E97-R101 PolarHBondContact O-N 2.86Å
98E71.6Confident71.4Confident77 Ų7758.2 Ų58.236%0.3629%0.285SS..Hα-helixtrans-61.4-45.9172.1-64.175.6-163.700110.6V20 P96 R101 T102V20-E98 HydrophobicContact CG1-CB 4.07Å; V20-E98 HydrophobicContact CG1-CG 3.76Å; P96-E98 VanDerWaalsContact C-N 3.34Å; P96-E98 PolarHBondContact O-N 2.9Å; E98-R101 PolarHBondContact O-N 2.87Å; E98-T102 PolarHBondContact O-N 3Å; E98-T102 PolarHBondContact O-OG1 2.72Å
99I70.8Confident71Confident0 Ų057.4 Ų57.40%028%0.276CS..Hα-helixtrans-68.4-41.5179.1-62.9-178.6000110.8V20 P84 V95 P96 R101 T102 F103 Y123 V128V20-I99 HydrophobicContact CG2-CG1 4.45Å; P84-I99 HydrophobicContact CB-CD1 4.34Å; V95-I99 HydrophobicContact CG1-CB 3.96Å; V95-I99 HydrophobicContact CG1-CG2 3.63Å; P96-I99 HydrophobicContact CB-CB 4.45Å; P96-I99 HydrophobicContact CB-CD1 4.14Å; P96-I99 HydrophobicContact CB-CG1 4.27Å; P96-I99 HydrophobicContact CG-CD1 4.08Å; P96-I99 WeakPolarHBondContact O-CB 3.39Å; P96-I99 PolarHBondContact O-N 2.88Å; P96-I99 VanDerWaalsContact O-N 3.08Å; I99-R101 PolarHBondContact O-N 2.77Å; I99-T102 WeakPolarHBondContact O-CB 3.43Å; I99-T102 PolarHBondContact O-N 3.4Å; I99-T102 PolarHBondContact O-OG1 3.11Å; I99-F103 HydrophobicContact CG2-CD2 3.61Å; I99-F103 HydrophobicContact CG2-CE2 3.28Å; I99-F103 HydrophobicContact CG2-CZ 4.32Å; I99-F103 VanDerWaalsContact O-CD2 3.25Å; I99-F103 WeakPolarHBondContact O-CD2 3.3Å; I99-F103 PolarHBondContact O-N 3.25Å; I99-F103 VanDerWaalsContact O-N 3.12Å; I99-Y123 HydrophobicContact CD1-CD1 4.32Å; I99-Y123 HydrophobicContact CD1-CG 4.35Å; I99-Y123 HydrophobicContact CG1-CD1 4.46Å; I99-Y123 HydrophobicContact CG1-CD2 4.4Å; I99-Y123 HydrophobicContact CG1-CE2 4.4Å; I99-Y123 HydrophobicContact CG1-CG 4.41Å; I99-Y123 HydrophobicContact CG2-CD2 4.3Å; I99-V128 HydrophobicContact CD1-CB 4.43Å; I99-V128 HydrophobicContact CD1-CG1 4.09Å; I99-V128 HydrophobicContact CG2-CG2 3.78Å
100K72.4Confident70.5Confident19 Ų1961.9 Ų61.98%0.08330%0.297CS..Hα-helixtrans-58.1-47.7174.3-73.1-167.3-141.7165.70111.7W92 D93 V95 P96 E97 T102 F103 D104W92-K100 HydrophobicContact CZ2-CB 4.17Å; W92-K100 HydrophobicContact CZ2-CG 4.11Å; W92-K100 VanDerWaalsContact O-CD 3.29Å; W92-K100 WeakPolarHBondContact O-CD 3.35Å; W92-K100 WeakPolarHBondContact O-CE 3.41Å; W92-K100 PolarHBondContact O-NZ 2.98Å; D93-K100 PolarHBondContact O-NZ 2.94Å; V95-K100 HydrophobicContact CB-CD 4.36Å; V95-K100 HydrophobicContact CB-CG 3.69Å; V95-K100 HydrophobicContact CG1-CG 3.8Å; V95-K100 WeakPolarHBondContact O-CE 3.17Å; P96-K100 PolarHBondContact O-N 3.17Å; E97-K100 IonicContact OE1-NZ 3.4Å; E97-K100 WeakPolarHBondContact OE2-CD 3.42Å; E97-K100 WeakPolarHBondContact OE2-CE 3.44Å; E97-K100 IonicContact OE2-NZ 3.43Å; E97-K100 PolarHBondContact OE2-NZ 2.92Å; K100-T102 PolarHBondContact O-N 3.3Å; K100-F103 PolarHBondContact O-N 3.06Å; K100-F103 VanDerWaalsContact O-N 3.08Å; K100-D104 WeakPolarHBondContact O-CB 3.5Å; K100-D104 VanDerWaalsContact O-CG 3.24Å; K100-D104 PolarHBondContact O-N 2.82Å
101R74.4Confident70.3Confident156 Ų15654.2 Ų54.259%0.58927%0.272SS*.Hα-helixtrans-57-38.7178-74.8171.2-179-178.35.1111.8E97 E98 I99 K105E97-R101 VanDerWaalsContact O-CG 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.29Å; E97-R101 PolarHBondContact O-N 2.86Å; E98-R101 PolarHBondContact O-N 2.87Å; I99-R101 PolarHBondContact O-N 2.77Å; R101-K105 WeakPolarHBondContact O-CD 3.31Å; R101-K105 VanDerWaalsContact O-CG 3.22Å; R101-K105 WeakPolarHBondContact O-CG 3.43Å; R101-K105 PolarHBondContact O-N 2.92Å; R101-K105 VanDerWaalsContact O-N 3.16Å
102T68.9Low70Confident0 Ų053.4 Ų53.40%026%0.263CS..Hα-helixtrans-57.4-54.8174.4-46.20000111.2F15 D17 E98 I99 K100 K105 L106 Y123 R203F15-T102 HydrophobicContact CE2-CG2 3.86Å; F15-T102 HydrophobicContact CZ-CG2 4.07Å; D17-T102 WeakPolarHBondContact OD2-CB 3.25Å; D17-T102 PolarHBondContact OD2-OG1 3.01Å; E98-T102 PolarHBondContact O-N 3Å; E98-T102 PolarHBondContact O-OG1 2.72Å; I99-T102 WeakPolarHBondContact O-CB 3.43Å; I99-T102 PolarHBondContact O-N 3.4Å; I99-T102 PolarHBondContact O-OG1 3.11Å; K100-T102 PolarHBondContact O-N 3.3Å; T102-K105 WeakPolarHBondContact O-CB 3.21Å; T102-K105 PolarHBondContact O-N 3.43Å; T102-L106 HydrophobicContact CG2-CD1 4.28Å; T102-L106 VanDerWaalsContact O-CG 3.28Å; T102-L106 WeakPolarHBondContact O-CG 3.5Å; T102-L106 PolarHBondContact O-N 3.19Å; T102-Y123 HydrophobicContact CG2-CE2 4.2Å; T102-R203 VanDerWaalsContact CG2-NH1 3.29Å
103F68.4Low69.6Low0 Ų059.6 Ų59.60%029%0.294CS..Hα-helixtrans-75.5-28.5-174.4-70-49.7000113.8W92 I99 K100 K105 L106 G107 I108 A121 Y123 V128 Y201W92-F103 HydrophobicContact CH2-CB 3.36Å; W92-F103 AromaticContact CH2-CD2 3.71Å; W92-F103 HydrophobicContact CH2-CD2 3.71Å; W92-F103 AromaticContact CH2-CG 3.91Å; W92-F103 HydrophobicContact CH2-CG 3.91Å; W92-F103 HydrophobicContact CZ2-CB 3.87Å; W92-F103 HydrophobicContact CZ3-CB 4.47Å; W92-F103 HydrophobicContact CZ3-CD2 4.31Å; I99-F103 HydrophobicContact CG2-CD2 3.61Å; I99-F103 HydrophobicContact CG2-CE2 3.28Å; I99-F103 HydrophobicContact CG2-CZ 4.32Å; I99-F103 VanDerWaalsContact O-CD2 3.25Å; I99-F103 WeakPolarHBondContact O-CD2 3.3Å; I99-F103 PolarHBondContact O-N 3.25Å; I99-F103 VanDerWaalsContact O-N 3.12Å; K100-F103 PolarHBondContact O-N 3.06Å; K100-F103 VanDerWaalsContact O-N 3.08Å; F103-K105 VanDerWaalsContact C-N 3.35Å; F103-L106 HydrophobicContact CD1-CD1 3.91Å; F103-L106 HydrophobicContact CE1-CD1 4.49Å; F103-L106 CarbonylContact O-C 3.58Å; F103-L106 WeakPolarHBondContact O-CA 3.41Å; F103-L106 WeakPolarHBondContact O-CB 3.15Å; F103-L106 PolarHBondContact O-N 3.41Å; F103-L106 VanDerWaalsContact O-N 3.12Å; F103-G107 PolarHBondContact O-N 3.14Å; F103-I108 HydrophobicContact CB-CB 4.4Å; F103-I108 HydrophobicContact CB-CD1 4.16Å; F103-I108 HydrophobicContact CB-CG1 4.38Å; F103-I108 HydrophobicContact CD1-CD1 3.26Å; F103-I108 HydrophobicContact CD1-CG1 4.27Å; F103-I108 HydrophobicContact CE1-CD1 3.86Å; F103-I108 HydrophobicContact CG-CD1 3.97Å; F103-I108 PolarHBondContact O-N 2.62Å; F103-I108 VanDerWaalsContact O-N 3.14Å; F103-A121 HydrophobicContact CD2-CB 4.4Å; F103-A121 HydrophobicContact CE1-CB 3.87Å; F103-A121 HydrophobicContact CE2-CB 3.69Å; F103-A121 HydrophobicContact CZ-CB 3.41Å; F103-A121 VanDerWaalsContact CZ-CB 3.41Å; F103-Y123 HydrophobicContact CZ-CD2 4.36Å; F103-V128 HydrophobicContact CE2-CG2 3.8Å; F103-V128 HydrophobicContact CZ-CG2 4.23Å; F103-Y201 HydrophobicContact CD1-CD1 4.4Å; F103-Y201 AromaticContact CE1-CD1 3.96Å; F103-Y201 HydrophobicContact CE1-CD1 3.96Å
104D70.2Confident69.2Low86 Ų8659.6 Ų59.646%0.4629%0.288SS..Hα-helixtrans-61.2-44.6169.2-74.5-19.4000110.4K100 L106 G107 P109K100-D104 WeakPolarHBondContact O-CB 3.5Å; K100-D104 VanDerWaalsContact O-CG 3.24Å; K100-D104 PolarHBondContact O-N 2.82Å; D104-L106 PolarHBondContact O-N 3.15Å; D104-G107 PolarHBondContact O-N 2.79Å; D104-P109 WeakPolarHBondContact OD1-CG 3.28Å
105K67.8Low68.6Low105 Ų10559.4 Ų59.446%0.45728%0.283SS..Hα-helixtrans-63.1-27.3174.3-71.8167.4-176.8170.90112.5F15 D17 R101 T102 F103F15-K105 HydrophobicContact CD1-CD 4.27Å; F15-K105 HydrophobicContact CD2-CD 4.08Å; F15-K105 HydrophobicContact CE1-CB 4.08Å; F15-K105 HydrophobicContact CE1-CD 3.81Å; F15-K105 HydrophobicContact CE2-CD 3.57Å; F15-K105 HydrophobicContact CG-CD 4.4Å; F15-K105 HydrophobicContact CZ-CB 3.81Å; F15-K105 HydrophobicContact CZ-CD 3.43Å; F15-K105 VanDerWaalsContact CZ-CD 3.43Å; F15-K105 HydrophobicContact CZ-CG 4.31Å; D17-K105 IonicContact OD1-NZ 3.94Å; R101-K105 WeakPolarHBondContact O-CD 3.31Å; R101-K105 VanDerWaalsContact O-CG 3.22Å; R101-K105 WeakPolarHBondContact O-CG 3.43Å; R101-K105 PolarHBondContact O-N 2.92Å; R101-K105 VanDerWaalsContact O-N 3.16Å; T102-K105 WeakPolarHBondContact O-CB 3.21Å; T102-K105 PolarHBondContact O-N 3.43Å; F103-K105 VanDerWaalsContact C-N 3.35Å
106L65.1Low68.2Low18 Ų1859.9 Ų59.99%0.09429%0.285CS..Hα-helixtrans-85-11.1175.3-62.8170.4000112.8Y13 T102 F103 D104 I108 Y201Y13-L106 HydrophobicContact CD1-CD2 3.45Å; Y13-L106 VanDerWaalsContact CD1-CD2 3.45Å; Y13-L106 HydrophobicContact CE1-CD2 3.78Å; Y13-L106 HydrophobicContact CG-CD2 4.14Å; T102-L106 HydrophobicContact CG2-CD1 4.28Å; T102-L106 VanDerWaalsContact O-CG 3.28Å; T102-L106 WeakPolarHBondContact O-CG 3.5Å; T102-L106 PolarHBondContact O-N 3.19Å; F103-L106 HydrophobicContact CD1-CD1 3.91Å; F103-L106 HydrophobicContact CE1-CD1 4.49Å; F103-L106 CarbonylContact O-C 3.58Å; F103-L106 WeakPolarHBondContact O-CA 3.41Å; F103-L106 WeakPolarHBondContact O-CB 3.15Å; F103-L106 PolarHBondContact O-N 3.41Å; F103-L106 VanDerWaalsContact O-N 3.12Å; D104-L106 PolarHBondContact O-N 3.15Å; L106-I108 HydrophobicContact CB-CG1 4.15Å; L106-Y201 HydrophobicContact CD1-CD1 4.18Å; L106-Y201 HydrophobicContact CD1-CE1 3.36Å; L106-Y201 VanDerWaalsContact CD2-OH 3.27Å; L106-Y201 WeakPolarHBondContact CD2-OH 3.16Å; L106-Y201 HydrophobicContact CG-CE1 4.45Å
107G65.9Low67.6Low30 Ų3058.1 Ų58.131%0.30927%0.274SS..THydrogen-bonded Turntrans77.417.8177.300000115.2F103 D104 A111F103-G107 PolarHBondContact O-N 3.14Å; D104-G107 PolarHBondContact O-N 2.79Å; G107-A111 PolarHBondContact O-N 3.12Å
108I65.9Low67.4Low4 Ų453.3 Ų53.32%0.02125%0.252CS..Hα-helixtrans-61.8-45.7-175.5-58.1-169.5000113.1F103 L106 E110 A111 E112 V119 Y201F103-I108 HydrophobicContact CB-CB 4.4Å; F103-I108 HydrophobicContact CB-CD1 4.16Å; F103-I108 HydrophobicContact CB-CG1 4.38Å; F103-I108 HydrophobicContact CD1-CD1 3.26Å; F103-I108 HydrophobicContact CD1-CG1 4.27Å; F103-I108 HydrophobicContact CE1-CD1 3.86Å; F103-I108 HydrophobicContact CG-CD1 3.97Å; F103-I108 PolarHBondContact O-N 2.62Å; F103-I108 VanDerWaalsContact O-N 3.14Å; L106-I108 HydrophobicContact CB-CG1 4.15Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 3.03Å; I108-A111 PolarHBondContact O-N 3.35Å; I108-A111 VanDerWaalsContact O-N 3.14Å; I108-E112 PolarHBondContact O-N 3.07Å; I108-V119 HydrophobicContact CG2-CG2 3.95Å; I108-Y201 HydrophobicContact CD1-CD1 3.9Å; I108-Y201 HydrophobicContact CD1-CD2 3.79Å; I108-Y201 HydrophobicContact CD1-CE2 4.43Å; I108-Y201 HydrophobicContact CD1-CG 3.46Å; I108-Y201 VanDerWaalsContact CD1-CG 3.46Å; I108-Y201 HydrophobicContact CG1-CD2 4.41Å
109P62.5Low67.7Low22 Ų2249.7 Ų49.714%0.14324%0.235CC..Hα-helixtrans-64.2-34.4-176.4-26.138.1000113.5W92 D104 Q113W92-P109 HydrophobicContact CD2-CG 4.02Å; W92-P109 HydrophobicContact CH2-CG 4.05Å; W92-P109 HydrophobicContact CZ2-CG 3.4Å; D104-P109 WeakPolarHBondContact OD1-CG 3.28Å; P109-Q113 PolarHBondContact O-N 2.94Å
110E67.3Low68Low131 Ų13149.8 Ų49.861%0.61224%0.236SC*.Hα-helixtrans-70.4-35.6176.5-67-169.6-173.200112.2I108I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 3.03Å
111A63.6Low68.1Low19 Ų1948.9 Ų48.916%0.15723%0.232CC..Hα-helixtrans-67.7-44.2176.400000110.9G107 I108 K114 Y115 L116G107-A111 PolarHBondContact O-N 3.12Å; I108-A111 PolarHBondContact O-N 3.35Å; I108-A111 VanDerWaalsContact O-N 3.14Å; A111-K114 PolarHBondContact O-N 3.1Å; A111-Y115 PolarHBondContact O-N 2.97Å; A111-L116 HydrophobicContact CB-CD1 4.29Å
112E66.9Low68.2Low27 Ų2741.5 Ų41.513%0.12620%0.204CC..Hα-helixtrans-56.9-53.5178.1-172.3-170174.200112.2I108 K114 L116 V119 Y129 N131I108-E112 PolarHBondContact O-N 3.07Å; E112-K114 PolarHBondContact O-N 3.07Å; E112-K114 VanDerWaalsContact O-N 3.11Å; E112-L116 HydrophobicContact CB-CD1 4.36Å; E112-V119 HydrophobicContact CB-CG1 4.32Å; E112-V119 HydrophobicContact CG-CB 4.38Å; E112-V119 HydrophobicContact CG-CG1 3.69Å; E112-Y129 PolarHBondContact OE1-OH 3.02Å; E112-Y129 VanDerWaalsContact OE2-CE1 3.3Å; E112-Y129 WeakPolarHBondContact OE2-CE1 3.27Å; E112-Y129 PolarHBondContact OE2-OH 2.85Å; E112-N131 WeakPolarHBondContact OE1-CB 3.35Å; E112-N131 PolarHBondContact OE1-ND2 3.5Å
113Q63.6Low68.3Low170 Ų17041.7 Ų41.779%0.79421%0.205SC*.Hα-helixtrans-62.6-23.2-175.6-74.3-175.6-2.500114.4P109P109-Q113 PolarHBondContact O-N 2.94Å
114K64.1Low68.8Low129 Ų12941.9 Ų41.956%0.56121%0.206SC*.Hα-helixtrans-108.6-29.1-170.2-70.3175.9-175.6162.90113.8A111 E112A111-K114 PolarHBondContact O-N 3.1Å; E112-K114 PolarHBondContact O-N 3.07Å; E112-K114 VanDerWaalsContact O-N 3.11Å
115Y64.8Low69.2Low111 Ų11137.8 Ų37.844%0.43518%0.184SC..Hα-helixtrans-139.1-11.5-161.2-55.6-69000116.1A111 E447A111-Y115 PolarHBondContact O-N 2.97Å; Y115-E447 VanDerWaalsContact CD2-CD 3.47Å; Y115-E447 HydrophobicContact CD2-CG 3.84Å; Y115-E447 WeakPolarHBondContact CD2-OE1 3.45Å; Y115-E447 WeakPolarHBondContact CE1-OE1 3.22Å; Y115-E447 HydrophobicContact CE2-CG 3.83Å; Y115-E447 WeakPolarHBondContact CE2-OE1 3.23Å
116L66.5Low69.7Low12 Ų1233.9 Ų33.96%0.06317%0.167CC..  trans-114.1139.5-168.5-53.6176.9000112.1A111 E112 G118 V119 P197 Q199A111-L116 HydrophobicContact CB-CD1 4.29Å; E112-L116 HydrophobicContact CB-CD1 4.36Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-V119 HydrophobicContact CD1-CB 4.38Å; L116-P197 HydrophobicContact CD2-CG 4.1Å; L116-Q199 HydrophobicContact CD1-CB 3.85Å; L116-Q199 HydrophobicContact CD1-CG 4.27Å; L116-Q199 HydrophobicContact CD2-CB 4.08Å; L116-Q199 VanDerWaalsContact CD2-OE1 3.28Å
117A63.7Low70.2Confident1 Ų133.4 Ų33.41%0.00817%0.165CC..SBendtrans-77.8-22.6173.500000112.3E133 L136 T196 P197 L198A117-E133 WeakPolarHBondContact O-CG 3.37Å; A117-E133 PolarHBondContact O-N 3.32Å; A117-L136 HydrophobicContact CB-CD1 3.45Å; A117-L136 VanDerWaalsContact CB-CD1 3.45Å; A117-L136 WeakPolarHBondContact O-CD1 3.37Å; A117-T196 WeakPolarHBondContact CB-OG1 3.31Å; A117-P197 PolarHBondContact N-O 3.05Å; A117-P197 VanDerWaalsContact N-O 3.08Å; A117-L198 HydrophobicContact CB-CD2 3.99Å
118G71.7Confident70.7Confident3 Ų332 Ų323%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-176.5153.5177.300000110.6L116 N131 Q199L116-G118 VanDerWaalsContact C-N 3.32Å; G118-N131 CarbonylContact C-O 3.53Å; G118-N131 WeakPolarHBondContact CA-O 3.49Å; G118-Q199 PolarHBondContact O-N 3.45Å
119V76.6Confident71.1Confident0 Ų032 Ų320%015%0.151CC..EExtended strand (participates in β ladder)trans-135141.1-178.165.10000110.5I108 E112 L116 Y129 H130 N131 Q199I108-V119 HydrophobicContact CG2-CG2 3.95Å; E112-V119 HydrophobicContact CB-CG1 4.32Å; E112-V119 HydrophobicContact CG-CB 4.38Å; E112-V119 HydrophobicContact CG-CG1 3.69Å; L116-V119 HydrophobicContact CD1-CB 4.38Å; V119-Y129 HydrophobicContact CG1-CD1 3.94Å; V119-Y129 HydrophobicContact CG1-CE1 3.35Å; V119-H130 WeakPolarHBondContact O-CA 3.19Å; V119-N131 HydrophobicContact CG1-CB 4.43Å; V119-N131 PolarHBondContact N-O 2.99Å; V119-N131 PolarHBondContact O-N 2.87Å; V119-Q199 CarbonylContact C-O 3.48Å; V119-Q199 WeakPolarHBondContact CA-O 3.41Å; V119-Q199 HydrophobicContact CG2-CB 4.49Å
120S76.9Confident71.7Confident2 Ų232.2 Ų32.21%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-124.8138.3165.358.60000109Y129 Q199 A200 Y201S120-Y129 CarbonylContact C-O 3.58Å; S120-Y129 WeakPolarHBondContact CA-O 3.37Å; S120-Q199 PolarHBondContact N-O 3.37Å; S120-Q199 PolarHBondContact OG-O 3.47Å; S120-A200 CarbonylContact O-C 3.5Å; S120-A200 VanDerWaalsContact O-CA 3.26Å; S120-A200 WeakPolarHBondContact O-CA 3.47Å; S120-A200 VanDerWaalsContact OG-CB 3.27Å; S120-A200 WeakPolarHBondContact OG-CB 3.34Å; S120-Y201 PolarHBondContact O-N 2.6Å
121A75.6Confident72.1Confident0 Ų029 Ų290%014%0.136CC..EExtended strand (participates in β ladder)trans-123.7116.5177.200000108.7F103 V127 V128 Y129 Y201F103-A121 HydrophobicContact CD2-CB 4.4Å; F103-A121 HydrophobicContact CE1-CB 3.87Å; F103-A121 HydrophobicContact CE2-CB 3.69Å; F103-A121 HydrophobicContact CZ-CB 3.41Å; F103-A121 VanDerWaalsContact CZ-CB 3.41Å; A121-V127 CarbonylContact O-C 3.59Å; A121-V127 WeakPolarHBondContact O-CA 3.28Å; A121-V128 WeakPolarHBondContact O-CG2 3.26Å; A121-V128 PolarHBondContact O-N 2.91Å; A121-Y129 PolarHBondContact N-O 2.9Å; A121-Y129 PolarHBondContact O-N 2.85Å; A121-Y201 CarbonylContact C-O 3.4Å; A121-Y201 WeakPolarHBondContact CA-O 3.34Å
122Q75.6Confident72.7Confident1 Ų128.8 Ų28.81%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-100.5127175170.7160-13.400110.2E124 E126 V127 S181 G182 Y201 F202 R203Q122-E124 PolarHBondContact NE2-O 3.45Å; Q122-E126 WeakPolarHBondContact CA-O 3.39Å; Q122-E126 WeakPolarHBondContact CG-O 3.44Å; Q122-V127 HydrophobicContact CB-CG2 4.12Å; Q122-S181 PolarHBondContact NE2-O 3.14Å; Q122-S181 VanDerWaalsContact NE2-O 3.1Å; Q122-G182 VanDerWaalsContact OE1-CA 3.3Å; Q122-Y201 PolarHBondContact N-O 2.89Å; Q122-F202 HydrophobicContact CB-CD1 3.51Å; Q122-F202 HydrophobicContact CB-CE1 3.86Å; Q122-F202 HydrophobicContact CG-CD1 3.85Å; Q122-F202 HydrophobicContact CG-CE1 4.32Å; Q122-F202 VanDerWaalsContact OE1-CE1 3.29Å; Q122-R203 PolarHBondContact O-N 2.89Å
123Y72.5Confident73Confident5 Ų531.9 Ų31.92%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-116.6121.1174.8-162-89.4000106.9P84 I99 T102 F103 S125 E126 R203 N205P84-Y123 HydrophobicContact CB-CD1 3.95Å; P84-Y123 WeakPolarHBondContact CG-O 3.41Å; I99-Y123 HydrophobicContact CD1-CD1 4.32Å; I99-Y123 HydrophobicContact CD1-CG 4.35Å; I99-Y123 HydrophobicContact CG1-CD1 4.46Å; I99-Y123 HydrophobicContact CG1-CD2 4.4Å; I99-Y123 HydrophobicContact CG1-CE2 4.4Å; I99-Y123 HydrophobicContact CG1-CG 4.41Å; I99-Y123 HydrophobicContact CG2-CD2 4.3Å; T102-Y123 HydrophobicContact CG2-CE2 4.2Å; F103-Y123 HydrophobicContact CZ-CD2 4.36Å; Y123-S125 PolarHBondContact O-N 2.96Å; Y123-E126 PolarHBondContact N-O 3.01Å; Y123-E126 PolarHBondContact O-N 2.95Å; Y123-E126 VanDerWaalsContact O-O 3.11Å; Y123-R203 HydrophobicContact CD2-CB 4.45Å; Y123-R203 HydrophobicContact CE2-CG 4.49Å; Y123-N205 HydrophobicContact CE1-CB 3.76Å; Y123-N205 HydrophobicContact CE2-CB 4.03Å; Y123-N205 VanDerWaalsContact OH-CB 3.22Å; Y123-N205 WeakPolarHBondContact OH-CB 3.44Å; Y123-N205 PolarHBondContact OH-ND2 2.9Å; Y123-N205 PolarHBondContact OH-OD1 2.92Å
124E77.3Confident73.5Confident4 Ų431.4 Ų31.42%0.01914%0.142CC..THydrogen-bonded Turntrans59.1-116.4-173-49.7-63.5-158.500112.1V82 Q122 R203 N205 S206 M209 Q211V82-E124 HydrophobicContact CB-CB 4.11Å; V82-E124 HydrophobicContact CB-CG 4.49Å; V82-E124 HydrophobicContact CG1-CB 4.2Å; V82-E124 HydrophobicContact CG1-CG 4.11Å; Q122-E124 PolarHBondContact NE2-O 3.45Å; E124-R203 PolarHBondContact N-O 3.03Å; E124-N205 VanDerWaalsContact CD-N 3.32Å; E124-N205 WeakPolarHBondContact OE1-CA 3.5Å; E124-N205 WeakPolarHBondContact OE1-CB 3.29Å; E124-N205 PolarHBondContact OE1-N 2.9Å; E124-N205 PolarHBondContact OE2-N 2.96Å; E124-S206 WeakPolarHBondContact OE1-CA 3.39Å; E124-S206 WeakPolarHBondContact OE1-CB 3.29Å; E124-S206 PolarHBondContact OE1-N 3.38Å; E124-S206 PolarHBondContact OE1-OG 2.82Å; E124-S206 PolarHBondContact OE2-N 2.88Å; E124-M209 HydrophobicContact CB-CE 4.17Å; E124-M209 HydrophobicContact CB-SD 3.43Å; E124-M209 WeakPolarHBondContact CB-SD 3.26Å; E124-M209 VanDerWaalsContact CD-SD 3.52Å; E124-M209 HydrophobicContact CG-SD 3.96Å; E124-M209 WeakPolarHBondContact OE2-CE 3.45Å; E124-Q211 PolarHBondContact O-NE2 2.84Å; E124-Q211 VanDerWaalsContact O-NE2 3.16Å
125S78.5Confident73.9Confident0 Ų030.4 Ų30.40%014%0.14CC..THydrogen-bonded Turntrans-94.5-10.2-175.3-57.20000114.5Y81 V82 Y123 S181 G182Y81-S125 WeakPolarHBondContact CA-OG 3.48Å; V82-S125 PolarHBondContact N-OG 2.7Å; V82-S125 VanDerWaalsContact O-CB 3.22Å; V82-S125 WeakPolarHBondContact O-CB 3.33Å; V82-S125 PolarHBondContact O-OG 3.29Å; Y123-S125 PolarHBondContact O-N 2.96Å; S125-S181 VanDerWaalsContact CB-OG 3.24Å; S125-S181 WeakPolarHBondContact CB-OG 3.34Å; S125-S181 CarbonylContact O-C 3.52Å; S125-S181 WeakPolarHBondContact O-CB 3.37Å; S125-S181 VanDerWaalsContact O-O 3.13Å; S125-S181 PolarHBondContact O-OG 2.8Å; S125-G182 PolarHBondContact O-N 3.32Å
126E78.6Confident74.6Confident22 Ų2225.5 Ų25.510%0.10312%0.121CC..EExtended strand (participates in β ladder)trans-133.5152.1-173.2-59.2-160.2156.500113.6Y81 K83 P84 Q122 Y123Y81-E126 HydrophobicContact CE2-CG 4.12Å; Y81-E126 PolarHBondContact OH-OE1 2.76Å; K83-E126 VanDerWaalsContact CE-OE2 3.29Å; K83-E126 WeakPolarHBondContact CE-OE2 3.34Å; K83-E126 WeakPolarHBondContact CG-OE2 3.44Å; P84-E126 HydrophobicContact CG-CB 4.28Å; Q122-E126 WeakPolarHBondContact CA-O 3.39Å; Q122-E126 WeakPolarHBondContact CG-O 3.44Å; Y123-E126 PolarHBondContact N-O 3.01Å; Y123-E126 PolarHBondContact O-N 2.95Å; Y123-E126 VanDerWaalsContact O-O 3.11Å
127V76.2Confident75.2Confident8 Ų829.9 Ų29.95%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-73126.8169.6176.10000108.7A88 A121 Q122 Y129 H130 D145A88-V127 VanDerWaalsContact CB-O 3.22Å; A88-V127 WeakPolarHBondContact CB-O 3.27Å; A121-V127 CarbonylContact O-C 3.59Å; A121-V127 WeakPolarHBondContact O-CA 3.28Å; Q122-V127 HydrophobicContact CB-CG2 4.12Å; V127-Y129 VanDerWaalsContact CG1-O 3.27Å; V127-Y129 WeakPolarHBondContact CG1-O 3.49Å; V127-H130 HydrophobicContact CG1-CB 4.3Å; V127-D145 HydrophobicContact CB-CB 3.84Å; V127-D145 HydrophobicContact CG1-CB 4.39Å; V127-D145 HydrophobicContact CG2-CB 3.53Å
128V76.6Confident76.2Confident0 Ų037.7 Ų37.70%018%0.177CC..EExtended strand (participates in β ladder)trans-108-20.2-177.6-660000112.5P84 E89 I99 F103 A121P84-V128 HydrophobicContact CB-CG1 4.12Å; P84-V128 HydrophobicContact CG-CG1 3.43Å; P84-V128 VanDerWaalsContact CG-CG1 3.43Å; E89-V128 PolarHBondContact N-O 2.9Å; I99-V128 HydrophobicContact CD1-CB 4.43Å; I99-V128 HydrophobicContact CD1-CG1 4.09Å; I99-V128 HydrophobicContact CG2-CG2 3.78Å; F103-V128 HydrophobicContact CE2-CG2 3.8Å; F103-V128 HydrophobicContact CZ-CG2 4.23Å; A121-V128 WeakPolarHBondContact O-CG2 3.26Å; A121-V128 PolarHBondContact O-N 2.91Å
129Y73.2Confident76.9Confident6 Ų641.7 Ų41.72%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-139.2133.7176177.3-118.8000110.2E89 W92 V95 E112 V119 S120 A121 V127 N131E89-Y129 WeakPolarHBondContact O-CA 3.37Å; E89-Y129 WeakPolarHBondContact O-CD2 3.29Å; W92-Y129 HydrophobicContact CB-CE2 4.39Å; W92-Y129 AromaticContact CE3-CD1 3.78Å; W92-Y129 HydrophobicContact CE3-CD1 3.78Å; W92-Y129 AromaticContact CE3-CD2 3.97Å; W92-Y129 HydrophobicContact CE3-CD2 3.97Å; W92-Y129 AromaticContact CE3-CE1 3.71Å; W92-Y129 HydrophobicContact CE3-CE1 3.71Å; W92-Y129 AromaticContact CE3-CE2 3.96Å; W92-Y129 HydrophobicContact CE3-CE2 3.96Å; W92-Y129 AromaticContact CE3-CG 3.89Å; W92-Y129 HydrophobicContact CE3-CG 3.89Å; W92-Y129 AromaticContact CE3-CZ 3.83Å; W92-Y129 AromaticContact CZ3-CD1 3.67Å; W92-Y129 HydrophobicContact CZ3-CD1 3.67Å; W92-Y129 HydrophobicContact CZ3-CD2 4.41Å; W92-Y129 AromaticContact CZ3-CE1 3.99Å; W92-Y129 HydrophobicContact CZ3-CE1 3.99Å; W92-Y129 AromaticContact CZ3-CG 3.88Å; W92-Y129 HydrophobicContact CZ3-CG 3.88Å; V95-Y129 HydrophobicContact CG2-CD2 3.86Å; V95-Y129 HydrophobicContact CG2-CG 4.2Å; E112-Y129 PolarHBondContact OE1-OH 3.02Å; E112-Y129 VanDerWaalsContact OE2-CE1 3.3Å; E112-Y129 WeakPolarHBondContact OE2-CE1 3.27Å; E112-Y129 PolarHBondContact OE2-OH 2.85Å; V119-Y129 HydrophobicContact CG1-CD1 3.94Å; V119-Y129 HydrophobicContact CG1-CE1 3.35Å; S120-Y129 CarbonylContact C-O 3.58Å; S120-Y129 WeakPolarHBondContact CA-O 3.37Å; A121-Y129 PolarHBondContact N-O 2.9Å; A121-Y129 PolarHBondContact O-N 2.85Å; V127-Y129 VanDerWaalsContact CG1-O 3.27Å; V127-Y129 WeakPolarHBondContact CG1-O 3.49Å; Y129-N131 HydrophobicContact CE1-CB 4.38Å; Y129-N131 HydrophobicContact CE2-CB 4.23Å
130H76.9Confident77.5Confident26 Ų2643.4 Ų43.412%0.1221%0.212CC..EExtended strand (participates in β ladder)trans-145.3122.9174.9177.974.2000110.8E89 R90 V119 V127 F143E89-H130 PolarHBondContact O-N 3.4Å; R90-H130 WeakPolarHBondContact CA-O 3.3Å; V119-H130 WeakPolarHBondContact O-CA 3.19Å; V127-H130 HydrophobicContact CG1-CB 4.3Å; H130-F143 AromaticContact CE1-CD1 3.83Å; H130-F143 PolarHBondContact CE1-O 2.79Å; H130-F143 PolarHBondContact NE2-O 2.98Å
131N74.9Confident78.3Confident63 Ų6343.6 Ų43.634%0.33721%0.213SC..EExtended strand (participates in β ladder)trans-139.2146.1173.8-170.123.3000110.6E112 G118 V119 Y129E112-N131 WeakPolarHBondContact OE1-CB 3.35Å; E112-N131 PolarHBondContact OE1-ND2 3.5Å; G118-N131 CarbonylContact C-O 3.53Å; G118-N131 WeakPolarHBondContact CA-O 3.49Å; V119-N131 HydrophobicContact CG1-CB 4.43Å; V119-N131 PolarHBondContact N-O 2.99Å; V119-N131 PolarHBondContact O-N 2.87Å; Y129-N131 HydrophobicContact CE1-CB 4.38Å; Y129-N131 HydrophobicContact CE2-CB 4.23Å
132M76.4Confident79.2Confident15 Ų1545 Ų457%0.07422%0.22CC..EExtended strand (participates in β ladder)trans-144.7142.8178.5-176.6171.845.100109.4K134 L136 E137 I141 F143M132-K134 PolarHBondContact O-N 3.23Å; M132-L136 HydrophobicContact CG-CB 3.99Å; M132-L136 HydrophobicContact CG-CD1 3.81Å; M132-L136 HydrophobicContact CG-CG 4.48Å; M132-L136 HydrophobicContact SD-CB 3.83Å; M132-L136 HydrophobicContact SD-CD1 4.24Å; M132-E137 HydrophobicContact CE-CG 3.3Å; M132-I141 HydrophobicContact SD-CG2 4.49Å; M132-F143 HydrophobicContact CE-CB 4.24Å; M132-F143 HydrophobicContact SD-CB 3.61Å; M132-F143 HydrophobicContact SD-CD1 4.46Å
133E72.4Confident80Confident92 Ų9245 Ų4543%0.4322%0.22SC..  trans-58.3127.2172.9-72.3-178.2165.500110.6A117 E135 L136A117-E133 WeakPolarHBondContact O-CG 3.37Å; A117-E133 PolarHBondContact O-N 3.32Å; E133-E135 PolarHBondContact O-N 2.76Å; E133-L136 HydrophobicContact CB-CD1 4.05Å; E133-L136 HydrophobicContact CB-CG 4.08Å; E133-L136 WeakPolarHBondContact O-CB 3.45Å; E133-L136 PolarHBondContact O-N 3.17Å
134K74.4Confident80.8Confident160 Ų16047.1 Ų47.170%0.69623%0.229SC*.Hα-helixtrans-53.5-32.4179.7-68.7-175.8178-179.50113.1M132 L136 E137 E138M132-K134 PolarHBondContact O-N 3.23Å; K134-L136 PolarHBondContact O-N 2.91Å; K134-E137 PolarHBondContact O-N 3.21Å; K134-E138 WeakPolarHBondContact O-CG 3.29Å; K134-E138 PolarHBondContact O-N 3.14Å
135E73.1Confident81.4Confident108 Ų10847.6 Ų47.651%0.50523%0.232SC..Hα-helixtrans-61.8-30177.5-166.1-175.8149.600112.4E133 K139E133-E135 PolarHBondContact O-N 2.76Å; E135-K139 VanDerWaalsContact O-CG 3.32Å; E135-K139 WeakPolarHBondContact O-CG 3.42Å; E135-K139 PolarHBondContact O-N 2.77Å; E135-K139 VanDerWaalsContact O-N 3.08Å; E135-K139 VanDerWaalsContact OE1-CE 3.26Å; E135-K139 WeakPolarHBondContact OE1-CE 3.1Å; E135-K139 IonicContact OE1-NZ 3.91Å; E135-K139 PolarHBondContact OE1-NZ 3.23Å
136L78.5Confident82.1Confident8 Ų847.7 Ų47.74%0.04223%0.232CC..Hα-helixtrans-74.6-39.8177.6-57.7173.9000111.4A117 M132 E133 K134 E138 K139 G140 I141 L194 L198A117-L136 HydrophobicContact CB-CD1 3.45Å; A117-L136 VanDerWaalsContact CB-CD1 3.45Å; A117-L136 WeakPolarHBondContact O-CD1 3.37Å; M132-L136 HydrophobicContact CG-CB 3.99Å; M132-L136 HydrophobicContact CG-CD1 3.81Å; M132-L136 HydrophobicContact CG-CG 4.48Å; M132-L136 HydrophobicContact SD-CB 3.83Å; M132-L136 HydrophobicContact SD-CD1 4.24Å; E133-L136 HydrophobicContact CB-CD1 4.05Å; E133-L136 HydrophobicContact CB-CG 4.08Å; E133-L136 WeakPolarHBondContact O-CB 3.45Å; E133-L136 PolarHBondContact O-N 3.17Å; K134-L136 PolarHBondContact O-N 2.91Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 PolarHBondContact O-N 2.84Å; L136-K139 PolarHBondContact O-N 3.4Å; L136-G140 PolarHBondContact O-N 3.1Å; L136-I141 HydrophobicContact CB-CB 4.33Å; L136-I141 HydrophobicContact CB-CD1 3.9Å; L136-I141 HydrophobicContact CD2-CD1 3.57Å; L136-I141 HydrophobicContact CG-CD1 4.29Å; L136-I141 WeakPolarHBondContact O-CB 3.32Å; L136-I141 PolarHBondContact O-N 2.96Å; L136-L194 HydrophobicContact CD2-CD2 4.44Å; L136-L194 HydrophobicContact CD2-CG 4.3Å; L136-L198 HydrophobicContact CD1-CD2 4.33Å
137E80.6Confident82.7Confident104 Ų10447.5 Ų47.549%0.48623%0.232SC..Hα-helixtrans-59.7-43.6171.4-65.7-173.3163.600110.8M132 K134 K139 G140M132-E137 HydrophobicContact CE-CG 3.3Å; K134-E137 PolarHBondContact O-N 3.21Å; E137-K139 VanDerWaalsContact C-N 3.28Å; E137-K139 PolarHBondContact O-N 3.29Å; E137-G140 WeakPolarHBondContact O-CA 3.46Å; E137-G140 PolarHBondContact O-N 3.3Å
138E83.3Confident83.4Confident164 Ų16448.9 Ų48.977%0.76624%0.242SC*.Hα-helixtrans-64.3-31177.6-72177.3-174.300112.8K134 L136 G140K134-E138 WeakPolarHBondContact O-CG 3.29Å; K134-E138 PolarHBondContact O-N 3.14Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 PolarHBondContact O-N 2.84Å; E138-G140 PolarHBondContact O-N 2.87Å
139K87.1Confident84.3Confident87 Ų8748.9 Ų48.938%0.37824%0.242SC..THydrogen-bonded Turntrans-76-3172-72.8170.7-174166.50113.3E135 L136 E137 I141 I192E135-K139 VanDerWaalsContact O-CG 3.32Å; E135-K139 WeakPolarHBondContact O-CG 3.42Å; E135-K139 PolarHBondContact O-N 2.77Å; E135-K139 VanDerWaalsContact O-N 3.08Å; E135-K139 VanDerWaalsContact OE1-CE 3.26Å; E135-K139 WeakPolarHBondContact OE1-CE 3.1Å; E135-K139 IonicContact OE1-NZ 3.91Å; E135-K139 PolarHBondContact OE1-NZ 3.23Å; L136-K139 PolarHBondContact O-N 3.4Å; E137-K139 VanDerWaalsContact C-N 3.28Å; E137-K139 PolarHBondContact O-N 3.29Å; K139-I141 VanDerWaalsContact C-N 3.34Å; K139-I141 HydrophobicContact CB-CD1 4.36Å; K139-I192 HydrophobicContact CB-CD1 4.41Å; K139-I192 HydrophobicContact CB-CG2 4.49Å
140G90Very high85.3Confident37 Ų3748.7 Ų48.738%0.38124%0.241SC..THydrogen-bonded Turntrans7914.6-179.900000114.2L136 E137 E138 P189L136-G140 PolarHBondContact O-N 3.1Å; E137-G140 WeakPolarHBondContact O-CA 3.46Å; E137-G140 PolarHBondContact O-N 3.3Å; E138-G140 PolarHBondContact O-N 2.87Å; G140-P189 WeakPolarHBondContact O-CG 3.21Å
141I92.9Very high86.1Confident6 Ų652.1 Ų52.13%0.03126%0.257CS..  trans-69.3133.7171.8-62.6160.4000107.9M132 L136 K139 Y187 V188 I192 L194M132-I141 HydrophobicContact SD-CG2 4.49Å; L136-I141 HydrophobicContact CB-CB 4.33Å; L136-I141 HydrophobicContact CB-CD1 3.9Å; L136-I141 HydrophobicContact CD2-CD1 3.57Å; L136-I141 HydrophobicContact CG-CD1 4.29Å; L136-I141 WeakPolarHBondContact O-CB 3.32Å; L136-I141 PolarHBondContact O-N 2.96Å; K139-I141 VanDerWaalsContact C-N 3.34Å; K139-I141 HydrophobicContact CB-CD1 4.36Å; I141-Y187 WeakPolarHBondContact CA-O 3.29Å; I141-V188 HydrophobicContact CG1-CG1 4.43Å; I141-I192 HydrophobicContact CD1-CG2 3.77Å; I141-I192 HydrophobicContact CG1-CG2 4.02Å; I141-L194 HydrophobicContact CD1-CD1 3.58Å; I141-L194 HydrophobicContact CD1-CD2 4.28Å; I141-L194 HydrophobicContact CD1-CG 3.95Å; I141-L194 HydrophobicContact CG1-CD1 4.35Å
142I93.4Very high87Confident30 Ų3054.7 Ų54.715%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-105.5118.6170.7-53.5171.6000106.3K144 L156 F185 I186 Y187I142-K144 HydrophobicContact CG2-CD 4.09Å; I142-K144 HydrophobicContact CG2-CG 4.04Å; I142-L156 HydrophobicContact CD1-CD2 3.84Å; I142-F185 HydrophobicContact CB-CE1 4.37Å; I142-F185 HydrophobicContact CD1-CE1 4.48Å; I142-F185 HydrophobicContact CG2-CD1 3.86Å; I142-F185 HydrophobicContact CG2-CE1 4Å; I142-I186 CarbonylContact O-C 3.6Å; I142-I186 VanDerWaalsContact O-CA 3.24Å; I142-I186 WeakPolarHBondContact O-CA 3.44Å; I142-Y187 HydrophobicContact CD1-CD1 4.26Å; I142-Y187 HydrophobicContact CG1-CD1 4.47Å; I142-Y187 PolarHBondContact N-O 2.85Å; I142-Y187 PolarHBondContact O-N 2.85Å
143F92.3Very high87.8Confident1 Ų155.9 Ų55.90%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-128.3114.2165178.1-147.1000106.8H130 M132 F185 I186 L198 Q199 Y227H130-F143 AromaticContact CE1-CD1 3.83Å; H130-F143 PolarHBondContact CE1-O 2.79Å; H130-F143 PolarHBondContact NE2-O 2.98Å; M132-F143 HydrophobicContact CE-CB 4.24Å; M132-F143 HydrophobicContact SD-CB 3.61Å; M132-F143 HydrophobicContact SD-CD1 4.46Å; F143-F185 WeakPolarHBondContact CA-O 3.37Å; F143-I186 HydrophobicContact CD2-CD1 4Å; F143-I186 HydrophobicContact CD2-CG1 3.5Å; F143-I186 VanDerWaalsContact CD2-CG1 3.5Å; F143-I186 HydrophobicContact CE2-CD1 4.04Å; F143-I186 HydrophobicContact CE2-CG1 4Å; F143-I186 HydrophobicContact CG-CG1 4.35Å; F143-L198 HydrophobicContact CB-CD1 4.3Å; F143-L198 HydrophobicContact CD1-CD1 4.32Å; F143-L198 HydrophobicContact CD1-CD2 3.81Å; F143-L198 HydrophobicContact CD1-CG 4.47Å; F143-L198 HydrophobicContact CD2-CD1 4.49Å; F143-L198 HydrophobicContact CE1-CB 4.32Å; F143-L198 HydrophobicContact CE1-CD2 4.18Å; F143-L198 HydrophobicContact CG-CD1 4.13Å; F143-L198 HydrophobicContact CG-CD2 4.4Å; F143-L198 HydrophobicContact CZ-CB 4.48Å; F143-Q199 WeakPolarHBondContact CZ-O 3.49Å; F143-Y227 HydrophobicContact CE2-CE2 4.25Å; F143-Y227 HydrophobicContact CZ-CE2 4.47Å
144K90.1Very high88.9Confident48 Ų4854.7 Ų54.721%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-144.4167-179.1-66.2-176.8-177.8172.80109.5I142 A149 E152 N153 F185I142-K144 HydrophobicContact CG2-CD 4.09Å; I142-K144 HydrophobicContact CG2-CG 4.04Å; K144-A149 HydrophobicContact CB-CB 4.37Å; K144-E152 IonicContact NZ-OE2 3.61Å; K144-E152 PolarHBondContact NZ-OE2 3.21Å; K144-N153 PolarHBondContact NZ-OD1 3.47Å; K144-F185 PolarHBondContact N-O 3Å; K144-F185 PolarHBondContact O-N 3.42Å
145D90.6Very high89.9Confident15 Ų1554.5 Ų54.58%0.0827%0.27CS..EExtended strand (participates in β ladder)trans-66.2156.7159.472.589.1000110.2V127 D147 S148 A149 G183V127-D145 HydrophobicContact CB-CB 3.84Å; V127-D145 HydrophobicContact CG1-CB 4.39Å; V127-D145 HydrophobicContact CG2-CB 3.53Å; D145-D147 VanDerWaalsContact C-N 3.3Å; D145-D147 PolarHBondContact O-N 2.9Å; D145-D147 WeakPolarHBondContact OD1-CA 3.03Å; D145-D147 VanDerWaalsContact OD1-CB 3.28Å; D145-D147 WeakPolarHBondContact OD1-CB 3.47Å; D145-D147 PolarHBondContact OD1-N 3.48Å; D145-S148 VanDerWaalsContact CG-OG 3.31Å; D145-S148 PolarHBondContact OD1-N 3.26Å; D145-S148 PolarHBondContact OD1-OG 3.06Å; D145-S148 WeakPolarHBondContact OD2-CB 3.19Å; D145-S148 PolarHBondContact OD2-OG 3.1Å; D145-A149 WeakPolarHBondContact O-CB 3.27Å; D145-A149 PolarHBondContact O-N 2.91Å; D145-G183 WeakPolarHBondContact CA-O 3.48Å
146T92.6Very high91Very high1 Ų151.2 Ų51.21%0.00626%0.256CS..Hα-helixtrans-69-26.1-177.438.30000114.4L150 F157 W180 G182 G183 F185 R214T146-L150 WeakPolarHBondContact O-CB 3.26Å; T146-L150 PolarHBondContact O-N 2.84Å; T146-F157 HydrophobicContact CG2-CE2 4.2Å; T146-W180 VanDerWaalsContact OG1-CZ3 3.23Å; T146-W180 WeakPolarHBondContact OG1-CZ3 3.3Å; T146-G182 PolarHBondContact OG1-O 3.01Å; T146-G183 PolarHBondContact N-O 3.5Å; T146-F185 HydrophobicContact CG2-CB 4.27Å; T146-R214 WeakPolarHBondContact CG2-O 3.29Å
147D91.7Very high91.9Very high19 Ų1950.9 Ų50.910%0.10225%0.254CS..Hα-helixtrans-70.1-48.8179.7-60.3-49.1000109.3K41 D145 A149 L150 Q151 W180 G182K41-D147 IonicContact NZ-OD1 2.92Å; K41-D147 PolarHBondContact NZ-OD1 2.84Å; K41-D147 IonicContact NZ-OD2 3.29Å; K41-D147 PolarHBondContact NZ-OD2 3.28Å; D145-D147 VanDerWaalsContact C-N 3.3Å; D145-D147 PolarHBondContact O-N 2.9Å; D145-D147 WeakPolarHBondContact OD1-CA 3.03Å; D145-D147 VanDerWaalsContact OD1-CB 3.28Å; D145-D147 WeakPolarHBondContact OD1-CB 3.47Å; D145-D147 PolarHBondContact OD1-N 3.48Å; D147-A149 PolarHBondContact O-N 2.9Å; D147-L150 PolarHBondContact O-N 2.97Å; D147-Q151 PolarHBondContact O-N 3.21Å; D147-W180 WeakPolarHBondContact OD1-CH2 3.41Å; D147-W180 WeakPolarHBondContact OD1-CZ3 3.17Å; D147-G182 PolarHBondContact OD2-N 2.8Å; D147-G182 VanDerWaalsContact OD2-N 3.16Å
148S91.4Very high92.7Very high36 Ų3650.7 Ų50.725%0.25225%0.252SS..Hα-helixtrans-63.3-40173.2-57.70000112.3D145 L150 Q151 E152D145-S148 VanDerWaalsContact CG-OG 3.31Å; D145-S148 PolarHBondContact OD1-N 3.26Å; D145-S148 PolarHBondContact OD1-OG 3.06Å; D145-S148 WeakPolarHBondContact OD2-CB 3.19Å; D145-S148 PolarHBondContact OD2-OG 3.1Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-L150 PolarHBondContact O-N 3.23Å; S148-Q151 PolarHBondContact O-N 2.84Å; S148-E152 WeakPolarHBondContact O-CB 3.47Å; S148-E152 WeakPolarHBondContact O-CG 3.32Å; S148-E152 PolarHBondContact O-N 2.74Å
149A94.2Very high93.3Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-65.9-35.3178.300000113.1K144 D145 D147 Q151 N153 F157 F185K144-A149 HydrophobicContact CB-CB 4.37Å; D145-A149 WeakPolarHBondContact O-CB 3.27Å; D145-A149 PolarHBondContact O-N 2.91Å; D147-A149 PolarHBondContact O-N 2.9Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-N153 CarbonylContact O-C 3.53Å; A149-N153 VanDerWaalsContact O-C 3.3Å; A149-N153 VanDerWaalsContact O-CA 3.28Å; A149-N153 WeakPolarHBondContact O-CA 3.28Å; A149-N153 WeakPolarHBondContact O-CB 3.36Å; A149-N153 PolarHBondContact O-N 3.09Å; A149-F157 HydrophobicContact CB-CD2 4.04Å; A149-F157 HydrophobicContact CB-CE2 4.47Å; A149-F185 HydrophobicContact CB-CB 3.33Å; A149-F185 HydrophobicContact CB-CD1 3.63Å; A149-F185 HydrophobicContact CB-CD2 4.08Å; A149-F185 HydrophobicContact CB-CE1 4.46Å; A149-F185 HydrophobicContact CB-CG 3.4Å; A149-F185 VanDerWaalsContact CB-CG 3.4Å
150L95.4Very high93.8Very high2 Ų246.2 Ų46.21%0.0123%0.229CC..Hα-helixtrans-63.2-41.4174.1173.761.4000111.4E43 P44 W46 M47 T146 D147 S148 E154 F157 W180E43-L150 HydrophobicContact CB-CD2 4.31Å; E43-L150 HydrophobicContact CG-CD2 3.94Å; P44-L150 HydrophobicContact CG-CD1 4.07Å; P44-L150 HydrophobicContact CG-CG 4.38Å; W46-L150 HydrophobicContact CH2-CD1 3.95Å; W46-L150 HydrophobicContact CZ2-CD1 3.43Å; W46-L150 VanDerWaalsContact CZ2-CD1 3.43Å; M47-L150 HydrophobicContact CB-CD2 4.17Å; M47-L150 HydrophobicContact CE-CD1 3.86Å; M47-L150 HydrophobicContact CE-CD2 3.83Å; M47-L150 HydrophobicContact CE-CG 4.5Å; M47-L150 HydrophobicContact CG-CD2 3.82Å; T146-L150 WeakPolarHBondContact O-CB 3.26Å; T146-L150 PolarHBondContact O-N 2.84Å; D147-L150 PolarHBondContact O-N 2.97Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-L150 PolarHBondContact O-N 3.23Å; L150-E154 WeakPolarHBondContact O-CA 3.45Å; L150-E154 VanDerWaalsContact O-CB 3.29Å; L150-E154 WeakPolarHBondContact O-CB 3.36Å; L150-F157 HydrophobicContact CB-CD1 4.39Å; L150-F157 HydrophobicContact CB-CD2 4.44Å; L150-F157 HydrophobicContact CB-CE1 4.31Å; L150-F157 HydrophobicContact CB-CE2 4.35Å; L150-F157 HydrophobicContact CB-CG 4.46Å; L150-F157 HydrophobicContact CB-CZ 4.28Å; L150-F157 HydrophobicContact CD1-CD1 3.7Å; L150-F157 HydrophobicContact CD1-CE1 3.85Å; L150-F157 HydrophobicContact CD1-CG 4.37Å; L150-W180 HydrophobicContact CD2-CH2 4.28Å; L150-W180 HydrophobicContact CD2-CZ2 4.15Å
151Q92.9Very high94.2Very high99 Ų9945.3 Ų45.346%0.46322%0.215SC..Hα-helixtrans-75.8-47.3-179.4-66.4-177.73.400112.7K41 D147 S148 A149K41-Q151 PolarHBondContact O-NE2 3.41Å; D147-Q151 PolarHBondContact O-N 3.21Å; S148-Q151 PolarHBondContact O-N 2.84Å; A149-Q151 VanDerWaalsContact C-N 3.34Å
152E93.6Very high94.4Very high116 Ų11645.9 Ų45.954%0.54222%0.22SC..Hα-helixtrans-90.5-22.7-170-61.8-179-164.200113.3K144 S148K144-E152 IonicContact NZ-OE2 3.61Å; K144-E152 PolarHBondContact NZ-OE2 3.21Å; S148-E152 WeakPolarHBondContact O-CB 3.47Å; S148-E152 WeakPolarHBondContact O-CG 3.32Å; S148-E152 PolarHBondContact O-N 2.74Å
153N94Very high94.6Very high40 Ų4047.1 Ų47.121%0.21423%0.231CC..SBendtrans-128.532.8-175.4-62.9107.5000112K144 A149 E155 L156 F157K144-N153 PolarHBondContact NZ-OD1 3.47Å; A149-N153 CarbonylContact O-C 3.53Å; A149-N153 VanDerWaalsContact O-C 3.3Å; A149-N153 VanDerWaalsContact O-CA 3.28Å; A149-N153 WeakPolarHBondContact O-CA 3.28Å; A149-N153 WeakPolarHBondContact O-CB 3.36Å; A149-N153 PolarHBondContact O-N 3.09Å; N153-E155 PolarHBondContact O-N 3.26Å; N153-L156 PolarHBondContact O-N 3.26Å; N153-F157 WeakPolarHBondContact O-CB 3.44Å; N153-F157 PolarHBondContact O-N 2.89Å
154E95.5Very high94.9Very high67 Ų6747.1 Ų47.131%0.31323%0.232SC..Hα-helixtrans-48-48.5-170.7-167.8-174.116300113.9W46 L150 L156 F157 K158W46-E154 HydrophobicContact CZ2-CG 4.42Å; W46-E154 PolarHBondContact NE1-OE1 3.43Å; L150-E154 WeakPolarHBondContact O-CA 3.45Å; L150-E154 VanDerWaalsContact O-CB 3.29Å; L150-E154 WeakPolarHBondContact O-CB 3.36Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.21Å; E154-F157 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact O-CB 3.24Å; E154-K158 PolarHBondContact O-N 3.41Å
155E95.6Very high95.3Very high156 Ų15644.9 Ų44.973%0.72922%0.222SC*.Hα-helixtrans-59.3-43.7-179.2-75.8-66.4141.700112.4N153 K159N153-E155 PolarHBondContact O-N 3.26Å; E155-K159 WeakPolarHBondContact O-CB 3.27Å; E155-K159 PolarHBondContact O-N 3.28Å
156L95.9Very high95.7Very high40 Ų4046.8 Ų46.821%0.20924%0.235CC..Hα-helixtrans-73.1-42.4178.9-173.467.2000111I142 N153 E154 K159 Y160 F185 Y187I142-L156 HydrophobicContact CD1-CD2 3.84Å; N153-L156 PolarHBondContact O-N 3.26Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.21Å; L156-K159 WeakPolarHBondContact O-CB 3.2Å; L156-K159 PolarHBondContact O-N 2.92Å; L156-Y160 HydrophobicContact CD1-CD2 4.17Å; L156-Y160 HydrophobicContact CD1-CE2 3.69Å; L156-Y160 HydrophobicContact CG-CE2 4.47Å; L156-Y160 WeakPolarHBondContact O-CD2 3.49Å; L156-F185 HydrophobicContact CD2-CE1 4.16Å; L156-F185 HydrophobicContact CD2-CZ 3.92Å; L156-F185 HydrophobicContact CG-CZ 4.07Å; L156-Y187 HydrophobicContact CD1-CD2 4.32Å; L156-Y187 HydrophobicContact CD1-CE2 4.25Å; L156-Y187 HydrophobicContact CD2-CD1 4.2Å; L156-Y187 HydrophobicContact CD2-CD2 3.89Å; L156-Y187 HydrophobicContact CD2-CE2 4.4Å; L156-Y187 HydrophobicContact CD2-CG 3.78Å
157F96.9Very high95.9Very high1 Ų147.1 Ų47.10%0.00424%0.238CC..Hα-helixtrans-59.1-53.5177.4-172.4-82.6000110.6W46 M47 T146 A149 L150 N153 E154 K159 Y160 F161 W180 F185W46-F157 HydrophobicContact CH2-CD1 4.18Å; W46-F157 HydrophobicContact CH2-CE1 4.34Å; M47-F157 HydrophobicContact CE-CE1 3.75Å; T146-F157 HydrophobicContact CG2-CE2 4.2Å; A149-F157 HydrophobicContact CB-CD2 4.04Å; A149-F157 HydrophobicContact CB-CE2 4.47Å; L150-F157 HydrophobicContact CB-CD1 4.39Å; L150-F157 HydrophobicContact CB-CD2 4.44Å; L150-F157 HydrophobicContact CB-CE1 4.31Å; L150-F157 HydrophobicContact CB-CE2 4.35Å; L150-F157 HydrophobicContact CB-CG 4.46Å; L150-F157 HydrophobicContact CB-CZ 4.28Å; L150-F157 HydrophobicContact CD1-CD1 3.7Å; L150-F157 HydrophobicContact CD1-CE1 3.85Å; L150-F157 HydrophobicContact CD1-CG 4.37Å; N153-F157 WeakPolarHBondContact O-CB 3.44Å; N153-F157 PolarHBondContact O-N 2.89Å; E154-F157 PolarHBondContact O-N 2.87Å; F157-K159 PolarHBondContact O-N 3.15Å; F157-Y160 PolarHBondContact O-N 3.49Å; F157-Y160 VanDerWaalsContact O-N 3.08Å; F157-F161 HydrophobicContact CD1-CB 3.84Å; F157-F161 HydrophobicContact CD1-CD2 4.15Å; F157-F161 HydrophobicContact CD1-CG 4.13Å; F157-F161 HydrophobicContact CE1-CB 3.7Å; F157-F161 HydrophobicContact CE1-CD1 4.31Å; F157-F161 AromaticContact CE1-CD2 3.17Å; F157-F161 HydrophobicContact CE1-CD2 3.17Å; F157-F161 AromaticContact CE1-CE2 3.73Å; F157-F161 HydrophobicContact CE1-CE2 3.73Å; F157-F161 AromaticContact CE1-CG 3.48Å; F157-F161 HydrophobicContact CE1-CG 3.48Å; F157-F161 VanDerWaalsContact CE1-CG 3.48Å; F157-F161 HydrophobicContact CE2-CD2 4.39Å; F157-F161 HydrophobicContact CZ-CB 4.47Å; F157-F161 AromaticContact CZ-CD2 3.33Å; F157-F161 HydrophobicContact CZ-CD2 3.33Å; F157-F161 AromaticContact CZ-CE2 3.7Å; F157-F161 HydrophobicContact CZ-CE2 3.7Å; F157-F161 HydrophobicContact CZ-CG 4.12Å; F157-F161 WeakPolarHBondContact O-CB 3.24Å; F157-F161 PolarHBondContact O-N 3.38Å; F157-W180 HydrophobicContact CZ-CH2 4.35Å; F157-W180 HydrophobicContact CZ-CZ2 4.41Å; F157-F185 HydrophobicContact CB-CE2 4.35Å; F157-F185 AromaticContact CD2-CD2 3.64Å; F157-F185 HydrophobicContact CD2-CD2 3.64Å; F157-F185 AromaticContact CD2-CE2 3.89Å; F157-F185 HydrophobicContact CD2-CE2 3.89Å; F157-F185 HydrophobicContact CD2-CG 4.41Å; F157-F185 HydrophobicContact CE2-CD2 4.14Å; F157-F185 HydrophobicContact CG-CE2 4.48Å
158K96.6Very high96.2Very high100 Ų10049 Ų4944%0.43526%0.257SS..Hα-helixtrans-60.9-30.1-179.5-172175.7-173.1169.10113.4W46 E154 Y160W46-K158 HydrophobicContact CD2-CD 4.4Å; W46-K158 HydrophobicContact CH2-CB 4.2Å; W46-K158 HydrophobicContact CH2-CG 4.15Å; W46-K158 HydrophobicContact CZ2-CB 3.94Å; W46-K158 HydrophobicContact CZ2-CD 4.17Å; W46-K158 HydrophobicContact CZ2-CG 3.99Å; E154-K158 WeakPolarHBondContact O-CB 3.24Å; E154-K158 PolarHBondContact O-N 3.41Å; K158-Y160 VanDerWaalsContact C-N 3.31Å; K158-Y160 PolarHBondContact O-N 3.06Å
159K97.2Very high96.5Very high138 Ų13849.8 Ų49.860%0.626%0.258SS*.Hα-helixtrans-62.9-35.2175.3179.3-178.9175.2-171.80112.8E155 L156 F157E155-K159 WeakPolarHBondContact O-CB 3.27Å; E155-K159 PolarHBondContact O-N 3.28Å; L156-K159 WeakPolarHBondContact O-CB 3.2Å; L156-K159 PolarHBondContact O-N 2.92Å; F157-K159 PolarHBondContact O-N 3.15Å
160Y97.7Very high96.6Very high19 Ų1952 Ų528%0.07527%0.269CS..Hα-helixtrans-114.1-21.8-171.2-65.3-66.7000114.4L156 F157 K158 A162 S163 I218 I249 H251L156-Y160 HydrophobicContact CD1-CD2 4.17Å; L156-Y160 HydrophobicContact CD1-CE2 3.69Å; L156-Y160 HydrophobicContact CG-CE2 4.47Å; L156-Y160 WeakPolarHBondContact O-CD2 3.49Å; F157-Y160 PolarHBondContact O-N 3.49Å; F157-Y160 VanDerWaalsContact O-N 3.08Å; K158-Y160 VanDerWaalsContact C-N 3.31Å; K158-Y160 PolarHBondContact O-N 3.06Å; Y160-A162 PolarHBondContact O-N 3.2Å; Y160-S163 VanDerWaalsContact O-CB 3.23Å; Y160-S163 WeakPolarHBondContact O-CB 3.46Å; Y160-S163 PolarHBondContact O-N 3.42Å; Y160-S163 PolarHBondContact O-OG 2.74Å; Y160-I218 HydrophobicContact CD1-CG1 4.29Å; Y160-I218 HydrophobicContact CD2-CD1 3.99Å; Y160-I218 HydrophobicContact CD2-CG1 3.7Å; Y160-I218 HydrophobicContact CD2-CG2 4.48Å; Y160-I218 HydrophobicContact CE1-CG2 4.42Å; Y160-I218 HydrophobicContact CE2-CG1 4.05Å; Y160-I218 HydrophobicContact CE2-CG2 3.96Å; Y160-I218 HydrophobicContact CG-CD1 4.26Å; Y160-I218 HydrophobicContact CG-CG1 3.82Å; Y160-I249 HydrophobicContact CD1-CD1 4.3Å; Y160-I249 HydrophobicContact CD1-CG1 4.36Å; Y160-H251 AromaticContact CE1-NE2 3.93Å; Y160-H251 AromaticContact CZ-NE2 3.97Å; Y160-H251 PolarHBondContact OH-NE2 3.42Å
161F97.8Very high96.7Very high18 Ų1853 Ų538%0.07927%0.274CS..THydrogen-bonded Turntrans-59.5132-178.4-179.5-97.1000112.5W46 M47 F50 F157 S163 W180 L216W46-F161 HydrophobicContact CH2-CD1 4.41Å; W46-F161 HydrophobicContact CZ3-CD1 4.26Å; M47-F161 HydrophobicContact CE-CD1 4.18Å; M47-F161 HydrophobicContact CE-CE1 3.74Å; M47-F161 HydrophobicContact CE-CE2 4.16Å; M47-F161 HydrophobicContact CE-CZ 3.73Å; M47-F161 HydrophobicContact SD-CE1 4.13Å; M47-F161 HydrophobicContact SD-CZ 4.04Å; F50-F161 AromaticContact CD1-CE1 3.67Å; F50-F161 HydrophobicContact CD1-CE1 3.67Å; F50-F161 HydrophobicContact CD1-CZ 4.09Å; F50-F161 HydrophobicContact CD2-CE1 4.27Å; F50-F161 AromaticContact CE1-CE1 3.35Å; F50-F161 HydrophobicContact CE1-CE1 3.35Å; F50-F161 AromaticContact CE1-CZ 3.6Å; F50-F161 HydrophobicContact CE1-CZ 3.6Å; F50-F161 AromaticContact CE2-CE1 3.98Å; F50-F161 HydrophobicContact CE2-CE1 3.98Å; F50-F161 HydrophobicContact CG-CE1 4.13Å; F50-F161 HydrophobicContact CZ-CD1 4.46Å; F50-F161 AromaticContact CZ-CE1 3.52Å; F50-F161 HydrophobicContact CZ-CE1 3.52Å; F50-F161 HydrophobicContact CZ-CZ 4.06Å; F157-F161 HydrophobicContact CD1-CB 3.84Å; F157-F161 HydrophobicContact CD1-CD2 4.15Å; F157-F161 HydrophobicContact CD1-CG 4.13Å; F157-F161 HydrophobicContact CE1-CB 3.7Å; F157-F161 HydrophobicContact CE1-CD1 4.31Å; F157-F161 AromaticContact CE1-CD2 3.17Å; F157-F161 HydrophobicContact CE1-CD2 3.17Å; F157-F161 AromaticContact CE1-CE2 3.73Å; F157-F161 HydrophobicContact CE1-CE2 3.73Å; F157-F161 AromaticContact CE1-CG 3.48Å; F157-F161 HydrophobicContact CE1-CG 3.48Å; F157-F161 VanDerWaalsContact CE1-CG 3.48Å; F157-F161 HydrophobicContact CE2-CD2 4.39Å; F157-F161 HydrophobicContact CZ-CB 4.47Å; F157-F161 AromaticContact CZ-CD2 3.33Å; F157-F161 HydrophobicContact CZ-CD2 3.33Å; F157-F161 AromaticContact CZ-CE2 3.7Å; F157-F161 HydrophobicContact CZ-CE2 3.7Å; F157-F161 HydrophobicContact CZ-CG 4.12Å; F157-F161 WeakPolarHBondContact O-CB 3.24Å; F157-F161 PolarHBondContact O-N 3.38Å; F161-S163 PolarHBondContact O-N 3.06Å; F161-W180 HydrophobicContact CE2-CZ2 4.48Å; F161-W180 AromaticContact CZ-NE1 3.82Å; F161-L216 HydrophobicContact CB-CD2 4.42Å
162A97.7Very high96.9Very high18 Ų1848.9 Ų48.915%0.14925%0.254CS..THydrogen-bonded Turntrans57.616.5-179.200000114.7F50 Y160 E247F50-A162 HydrophobicContact CE2-CB 3.79Å; F50-A162 HydrophobicContact CZ-CB 3.81Å; Y160-A162 PolarHBondContact O-N 3.2Å; A162-E247 VanDerWaalsContact C-OE2 3.28Å; A162-E247 VanDerWaalsContact CA-OE1 3.31Å; A162-E247 WeakPolarHBondContact CA-OE1 3.26Å; A162-E247 WeakPolarHBondContact CA-OE2 3.06Å; A162-E247 PolarHBondContact N-OE1 2.73Å; A162-E247 PolarHBondContact N-OE2 2.68Å
163S97.6Very high97.1Very high55 Ų5543.3 Ų43.339%0.38523%0.228SC..SBendtrans-78.4-24.1178.669.20000112.8Y160 F161 E247 F277Y160-S163 VanDerWaalsContact O-CB 3.23Å; Y160-S163 WeakPolarHBondContact O-CB 3.46Å; Y160-S163 PolarHBondContact O-N 3.42Å; Y160-S163 PolarHBondContact O-OG 2.74Å; F161-S163 PolarHBondContact O-N 3.06Å; S163-E247 PolarHBondContact N-OE2 2.82Å; S163-E247 VanDerWaalsContact N-OE2 3.15Å; S163-F277 WeakPolarHBondContact O-CE2 3.32Å
164V98.1Very high97.3Very high2 Ų241.4 Ų41.41%0.01222%0.218CC..SBendtrans-105.7-44.7-178.2-175.10000110.4P166 E247 I249 R275 F277V164-P166 WeakPolarHBondContact O-CD 3.48Å; V164-E247 WeakPolarHBondContact CA-OE2 3.26Å; V164-E247 HydrophobicContact CB-CB 4.13Å; V164-E247 HydrophobicContact CB-CG 4.12Å; V164-E247 HydrophobicContact CG2-CB 4.41Å; V164-E247 PolarHBondContact N-OE2 2.47Å; V164-I249 HydrophobicContact CG2-CD1 3.78Å; V164-I249 HydrophobicContact CG2-CG1 3.78Å; V164-R275 HydrophobicContact CG1-CB 3.74Å; V164-R275 HydrophobicContact CG1-CG 3.49Å; V164-R275 VanDerWaalsContact CG1-CG 3.49Å; V164-R275 WeakPolarHBondContact CG1-O 3.27Å; V164-R275 WeakPolarHBondContact O-CD 3.23Å; V164-R275 PolarHBondContact O-NH1 3.41Å; V164-F277 HydrophobicContact CB-CE2 4.41Å; V164-F277 HydrophobicContact CB-CZ 4.45Å; V164-F277 HydrophobicContact CG1-CD1 3.82Å; V164-F277 HydrophobicContact CG1-CE1 3.88Å; V164-F277 HydrophobicContact CG1-CG 4.17Å; V164-F277 HydrophobicContact CG1-CZ 4.24Å; V164-F277 HydrophobicContact CG2-CB 4.48Å; V164-F277 HydrophobicContact CG2-CD1 4.48Å; V164-F277 HydrophobicContact CG2-CD2 3.8Å; V164-F277 HydrophobicContact CG2-CE2 4.09Å; V164-F277 HydrophobicContact CG2-CG 4.02Å
165V98.4Very high97.4Very high0 Ų038.2 Ų38.20%020%0.203CC..SBendtrans-119.485.9176.4-1750000109D169 A173 R214 V245 E247 T273 R275V165-D169 HydrophobicContact CG1-CB 4.02Å; V165-A173 HydrophobicContact CG1-CB 3.95Å; V165-R214 PolarHBondContact O-NH2 3.26Å; V165-V245 HydrophobicContact CB-CG1 3.77Å; V165-V245 HydrophobicContact CG1-CG1 3.73Å; V165-V245 HydrophobicContact CG2-CG1 4.21Å; V165-E247 HydrophobicContact CB-CG 3.93Å; V165-E247 HydrophobicContact CG2-CG 3.97Å; V165-E247 PolarHBondContact N-OE2 2.81Å; V165-T273 HydrophobicContact CG1-CG2 3.6Å; V165-T273 HydrophobicContact CG2-CG2 4.06Å; V165-R275 HydrophobicContact CG2-CB 3.71Å
166P97.9Very high97.5Very high55 Ų5530.8 Ų30.836%0.35717%0.169SC..  trans-66.115717628.8-35.3000110.8V164 A168 D169V164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-A168 PolarHBondContact O-N 3.43Å; P166-D169 HydrophobicContact CG-CB 4.34Å; P166-D169 WeakPolarHBondContact O-CB 3.17Å; P166-D169 PolarHBondContact O-N 3.11Å
167A97.8Very high97.6Very high9 Ų928.9 Ų28.97%0.07416%0.159CC..THydrogen-bonded Turntrans-55.8-27.7176.200000113.3F50 S54 L57 D169 A174F50-A167 HydrophobicContact CE2-CB 4.24Å; F50-A167 HydrophobicContact CZ-CB 4.05Å; S54-A167 WeakPolarHBondContact OG-CB 3.3Å; L57-A167 HydrophobicContact CD1-CB 4.07Å; A167-D169 VanDerWaalsContact C-N 3.27Å; A167-D169 PolarHBondContact O-N 3.2Å; A167-A174 VanDerWaalsContact O-CA 3.26Å; A167-A174 WeakPolarHBondContact O-CA 3.46Å; A167-A174 WeakPolarHBondContact O-CB 3.42Å; A167-A174 PolarHBondContact O-N 2.75Å
168A97.6Very high97.6Very high59 Ų5928.9 Ų28.949%0.48816%0.159SC..THydrogen-bonded Turntrans-81.31.2178.500000114.3L57 M61 P166L57-A168 HydrophobicContact CD1-CB 4.12Å; M61-A168 HydrophobicContact CE-CB 4.34Å; M61-A168 WeakPolarHBondContact CE-O 3.25Å; P166-A168 PolarHBondContact O-N 3.43Å
169D97.5Very high97.6Very high52 Ų5224.1 Ų24.128%0.27814%0.138SC..SBendtrans-60.2-49-175.3-170.6-102.3000112.7V165 P166 A167 A173 R275V165-D169 HydrophobicContact CG1-CB 4.02Å; P166-D169 HydrophobicContact CG-CB 4.34Å; P166-D169 WeakPolarHBondContact O-CB 3.17Å; P166-D169 PolarHBondContact O-N 3.11Å; A167-D169 VanDerWaalsContact C-N 3.27Å; A167-D169 PolarHBondContact O-N 3.2Å; D169-A173 HydrophobicContact CB-CB 4.03Å; D169-R275 IonicContact OD1-NH2 3.64Å; D169-R275 PolarHBondContact OD1-NH2 3.45Å; D169-R275 VanDerWaalsContact OD1-NH2 3.12Å; D169-R275 IonicContact OD2-CZ 2.72Å; D169-R275 IonicContact OD2-NH1 2.91Å; D169-R275 PolarHBondContact OD2-NH1 2.98Å; D169-R275 IonicContact OD2-NH2 3.69Å; D169-R275 PolarHBondContact OD2-NH2 3.34Å
170N96.9Very high97.5Very high45 Ų4517.5 Ų17.524%0.24111%0.109CC..  trans-161.9172.3176.467.475.3000110.1M61 F172 A173 A174 T273M61-N170 VanDerWaalsContact SD-C 3.51Å; N170-F172 VanDerWaalsContact C-N 3.34Å; N170-F172 PolarHBondContact O-N 2.84Å; N170-F172 PolarHBondContact OD1-N 3.27Å; N170-A173 PolarHBondContact O-N 3.02Å; N170-A173 PolarHBondContact OD1-N 3.46Å; N170-A174 PolarHBondContact O-N 2.66Å; N170-T273 PolarHBondContact ND2-OG1 2.72Å
171K97.1Very high97.1Very high23 Ų2316.6 Ų16.610%0.111%0.106CC..Hα-helixtrans-58.4-42.6-176.5-173175.8179.973.30112.7F58 M61 P62 M63 A174 L175F58-K171 HydrophobicContact CD2-CD 4.44Å; F58-K171 HydrophobicContact CD2-CG 3.57Å; F58-K171 WeakPolarHBondContact CD2-O 3.47Å; F58-K171 HydrophobicContact CE2-CD 4.13Å; F58-K171 VanDerWaalsContact CE2-CE 3.49Å; F58-K171 HydrophobicContact CE2-CG 3.64Å; F58-K171 PolarHBondContact O-NZ 3.42Å; M61-K171 HydrophobicContact CB-CB 4.08Å; M61-K171 HydrophobicContact CB-CG 4.22Å; M61-K171 PolarHBondContact O-NZ 3.3Å; M61-K171 HydrophobicContact SD-CB 4.38Å; M61-K171 PolarHBondContact SD-N 2.94Å; P62-K171 WeakPolarHBondContact O-CD 3.21Å; M63-K171 HydrophobicContact CG-CD 4.34Å; M63-K171 HydrophobicContact SD-CD 3.57Å; M63-K171 VanDerWaalsContact SD-CD 3.57Å; M63-K171 WeakPolarHBondContact SD-CE 3.46Å; K171-A174 WeakPolarHBondContact O-CB 3.4Å; K171-A174 PolarHBondContact O-N 3.41Å; K171-L175 PolarHBondContact O-N 3.35Å
172F97.1Very high96.7Very high13 Ų1315.8 Ų15.86%0.05710%0.102CC..Hα-helixtrans-77.7-30.3-177.9-58.9-65.5000112.6M63 P64 L70 L73 F75 N170 A174 L175 N176 S243 L271M63-F172 HydrophobicContact CE-CZ 4.09Å; M63-F172 HydrophobicContact SD-CZ 4.36Å; P64-F172 HydrophobicContact CG-CE2 3.75Å; P64-F172 HydrophobicContact CG-CZ 4.33Å; L70-F172 HydrophobicContact CD1-CE2 4.26Å; L70-F172 HydrophobicContact CD1-CZ 4.02Å; L73-F172 HydrophobicContact CD2-CE1 4.19Å; F75-F172 HydrophobicContact CE1-CE1 4.25Å; F75-F172 HydrophobicContact CZ-CE1 4Å; N170-F172 VanDerWaalsContact C-N 3.34Å; N170-F172 PolarHBondContact O-N 2.84Å; N170-F172 PolarHBondContact OD1-N 3.27Å; F172-A174 VanDerWaalsContact C-N 3.35Å; F172-L175 HydrophobicContact CD1-CD2 4.5Å; F172-L175 WeakPolarHBondContact O-CB 3.32Å; F172-L175 PolarHBondContact O-N 3Å; F172-N176 WeakPolarHBondContact O-CB 3.3Å; F172-N176 PolarHBondContact O-N 3.49Å; F172-S243 PolarHBondContact O-OG 3.31Å; F172-L271 HydrophobicContact CD1-CB 4.32Å; F172-L271 HydrophobicContact CD1-CD1 3.87Å; F172-L271 HydrophobicContact CD2-CB 4.11Å; F172-L271 HydrophobicContact CD2-CD1 4.18Å; F172-L271 HydrophobicContact CE1-CD1 3.4Å; F172-L271 VanDerWaalsContact CE1-CD1 3.4Å; F172-L271 HydrophobicContact CE2-CB 4.43Å; F172-L271 HydrophobicContact CE2-CD1 3.74Å; F172-L271 HydrophobicContact CG-CB 4.05Å; F172-L271 HydrophobicContact CG-CD1 4.25Å; F172-L271 HydrophobicContact CZ-CD1 3.35Å
173A97.9Very high96.4Very high0 Ų015 Ų150%010%0.095CC..Hα-helixtrans-63.3-40.4166.600000111.7V165 D169 N170 S177 V245V165-A173 HydrophobicContact CG1-CB 3.95Å; D169-A173 HydrophobicContact CB-CB 4.03Å; N170-A173 PolarHBondContact O-N 3.02Å; N170-A173 PolarHBondContact OD1-N 3.46Å; A173-S177 VanDerWaalsContact O-CB 3.27Å; A173-S177 WeakPolarHBondContact O-CB 3.04Å; A173-S177 PolarHBondContact O-N 2.8Å; A173-S177 PolarHBondContact O-OG 3.43Å; A173-S177 VanDerWaalsContact O-OG 3.07Å; A173-V245 HydrophobicContact CB-CG2 4.42Å
174A98.2Very high96.2Very high0 Ų012.3 Ų12.30%08%0.077CC..Hα-helixtrans-63.9-41174.300000112S54 L57 F58 M61 A167 N170 K171 F172 S177 A178S54-A174 WeakPolarHBondContact CB-O 3.42Å; L57-A174 HydrophobicContact CB-CB 4.17Å; F58-A174 HydrophobicContact CB-CB 3.99Å; M61-A174 HydrophobicContact SD-CB 4.47Å; A167-A174 VanDerWaalsContact O-CA 3.26Å; A167-A174 WeakPolarHBondContact O-CA 3.46Å; A167-A174 WeakPolarHBondContact O-CB 3.42Å; A167-A174 PolarHBondContact O-N 2.75Å; N170-A174 PolarHBondContact O-N 2.66Å; K171-A174 WeakPolarHBondContact O-CB 3.4Å; K171-A174 PolarHBondContact O-N 3.41Å; F172-A174 VanDerWaalsContact C-N 3.35Å; A174-S177 PolarHBondContact O-N 2.61Å; A174-A178 PolarHBondContact O-N 2.86Å; A174-A178 VanDerWaalsContact O-N 3.1Å
175L97.8Very high96.1Very high0 Ų012.2 Ų12.20%08%0.076CC..Hα-helixtrans-60.3-55.8175-178.257000110.9L29 F58 F75 Y80 K171 F172 S177 A178 V179 F212 L241L29-L175 HydrophobicContact CD1-CD1 4.25Å; L29-L175 HydrophobicContact CD2-CD1 3.46Å; L29-L175 VanDerWaalsContact CD2-CD1 3.46Å; L29-L175 HydrophobicContact CG-CD1 4.49Å; F58-L175 HydrophobicContact CD2-CB 3.7Å; F58-L175 HydrophobicContact CD2-CD1 4.23Å; F58-L175 HydrophobicContact CD2-CG 4.44Å; F58-L175 HydrophobicContact CE1-CD1 4.47Å; F58-L175 HydrophobicContact CE2-CB 3.88Å; F58-L175 HydrophobicContact CE2-CD1 4.1Å; F58-L175 HydrophobicContact CE2-CD2 4.08Å; F58-L175 HydrophobicContact CE2-CG 4.26Å; F58-L175 HydrophobicContact CG-CB 4.45Å; F58-L175 HydrophobicContact CG-CD1 4.45Å; F58-L175 HydrophobicContact CZ-CD1 4.23Å; F58-L175 HydrophobicContact CZ-CD2 4.5Å; F75-L175 HydrophobicContact CD1-CD2 4.11Å; F75-L175 HydrophobicContact CE1-CD2 3.85Å; Y80-L175 HydrophobicContact CE1-CD1 3.84Å; K171-L175 PolarHBondContact O-N 3.35Å; F172-L175 HydrophobicContact CD1-CD2 4.5Å; F172-L175 WeakPolarHBondContact O-CB 3.32Å; F172-L175 PolarHBondContact O-N 3Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.03Å; L175-A178 WeakPolarHBondContact O-CB 3.29Å; L175-A178 PolarHBondContact O-N 2.96Å; L175-V179 HydrophobicContact CD1-CG2 4.44Å; L175-V179 WeakPolarHBondContact O-CG2 3.34Å; L175-V179 PolarHBondContact O-N 3.35Å; L175-F212 HydrophobicContact CD2-CE1 3.66Å; L175-F212 HydrophobicContact CD2-CZ 4.28Å; L175-F212 HydrophobicContact CG-CD1 4.33Å; L175-F212 HydrophobicContact CG-CE1 3.78Å; L175-F212 HydrophobicContact CG-CZ 4.49Å; L175-L241 HydrophobicContact CD2-CD2 3.83Å
176N98Very high96Very high0 Ų012.2 Ų12.20%08%0.076CC..Hα-helixtrans-53.1-50.7175.5177.2-83.5000110.8F172 A178 V179 W180 F212 E213 R214 S243 V245F172-N176 WeakPolarHBondContact O-CB 3.3Å; F172-N176 PolarHBondContact O-N 3.49Å; N176-A178 PolarHBondContact O-N 2.85Å; N176-A178 VanDerWaalsContact O-N 3.07Å; N176-V179 PolarHBondContact O-N 3.42Å; N176-V179 VanDerWaalsContact O-N 3.11Å; N176-W180 WeakPolarHBondContact O-CA 3.43Å; N176-W180 WeakPolarHBondContact O-CB 3.32Å; N176-W180 PolarHBondContact O-N 2.85Å; N176-F212 PolarHBondContact ND2-O 2.89Å; N176-E213 PolarHBondContact ND2-O 2.99Å; N176-R214 PolarHBondContact OD1-NH1 2.85Å; N176-S243 PolarHBondContact ND2-O 2.83Å; N176-V245 HydrophobicContact CB-CG2 3.61Å; N176-V245 WeakPolarHBondContact OD1-CB 3.01Å; N176-V245 WeakPolarHBondContact OD1-CG2 3.41Å
177S98.1Very high95.9Very high0 Ų011.7 Ų11.70%07%0.067CC..Hα-helixtrans-59.5-23.7179.2-72.20000114.5F50 S54 A173 A174 L175 R214F50-S177 VanDerWaalsContact CE1-CB 3.49Å; F50-S177 WeakPolarHBondContact CE1-O 3.24Å; S54-S177 VanDerWaalsContact OG-CB 3.28Å; S54-S177 WeakPolarHBondContact OG-CB 3.37Å; A173-S177 VanDerWaalsContact O-CB 3.27Å; A173-S177 WeakPolarHBondContact O-CB 3.04Å; A173-S177 PolarHBondContact O-N 2.8Å; A173-S177 PolarHBondContact O-OG 3.43Å; A173-S177 VanDerWaalsContact O-OG 3.07Å; A174-S177 PolarHBondContact O-N 2.61Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.03Å; S177-R214 PolarHBondContact OG-NH1 3.01Å
178A97.8Very high95.9Very high0 Ų011.2 Ų11.20%06%0.064CC..Hα-helixtrans-79.2-41.3174.800000112.8V34 R51 L55 A174 L175 N176V34-A178 HydrophobicContact CG2-CB 4.42Å; R51-A178 WeakPolarHBondContact CB-O 3.33Å; R51-A178 WeakPolarHBondContact CG-O 3.42Å; R51-A178 PolarHBondContact NH1-O 3.16Å; R51-A178 VanDerWaalsContact NH1-O 3.12Å; L55-A178 HydrophobicContact CB-CB 4.06Å; A174-A178 PolarHBondContact O-N 2.86Å; A174-A178 VanDerWaalsContact O-N 3.1Å; L175-A178 WeakPolarHBondContact O-CB 3.29Å; L175-A178 PolarHBondContact O-N 2.96Å; N176-A178 PolarHBondContact O-N 2.85Å; N176-A178 VanDerWaalsContact O-N 3.07Å
179V96.1Very high95.9Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-122.98.3-165.8-590000114.4L29 V34 I37 R51 Y80 L175 N176 S181 F212L29-V179 HydrophobicContact CD1-CG1 3.37Å; V34-V179 HydrophobicContact CG2-CG1 4.1Å; I37-V179 HydrophobicContact CD1-CB 4.19Å; I37-V179 HydrophobicContact CD1-CG1 4.31Å; R51-V179 VanDerWaalsContact NH1-C 3.32Å; Y80-V179 HydrophobicContact CD1-CB 4.19Å; Y80-V179 HydrophobicContact CD1-CG1 4.08Å; Y80-V179 HydrophobicContact CD1-CG2 3.73Å; Y80-V179 HydrophobicContact CE1-CG2 4.45Å; Y80-V179 HydrophobicContact CG-CG1 4.4Å; L175-V179 HydrophobicContact CD1-CG2 4.44Å; L175-V179 WeakPolarHBondContact O-CG2 3.34Å; L175-V179 PolarHBondContact O-N 3.35Å; N176-V179 PolarHBondContact O-N 3.42Å; N176-V179 VanDerWaalsContact O-N 3.11Å; V179-S181 PolarHBondContact O-N 2.99Å; V179-F212 HydrophobicContact CG2-CB 4.03Å; V179-F212 HydrophobicContact CG2-CD1 3.9Å; V179-F212 HydrophobicContact CG2-CD2 3.62Å; V179-F212 HydrophobicContact CG2-CE1 4.27Å; V179-F212 HydrophobicContact CG2-CE2 4Å; V179-F212 HydrophobicContact CG2-CG 3.56Å; V179-F212 HydrophobicContact CG2-CZ 4.31Å
180W95.1Very high95.9Very high0 Ų011.5 Ų11.50%05%0.054CC..  trans-53.3141.1-173.669.5-85.2000112M47 R51 T146 D147 L150 F157 F161 N176 F212 R214M47-W180 HydrophobicContact CE-CZ2 3.96Å; M47-W180 HydrophobicContact SD-CZ2 4.07Å; R51-W180 VanDerWaalsContact NH1-N 3.16Å; R51-W180 PolarHBondContact NH1-O 2.86Å; R51-W180 PolarHBondContact NH2-O 2.86Å; T146-W180 VanDerWaalsContact OG1-CZ3 3.23Å; T146-W180 WeakPolarHBondContact OG1-CZ3 3.3Å; D147-W180 WeakPolarHBondContact OD1-CH2 3.41Å; D147-W180 WeakPolarHBondContact OD1-CZ3 3.17Å; L150-W180 HydrophobicContact CD2-CH2 4.28Å; L150-W180 HydrophobicContact CD2-CZ2 4.15Å; F157-W180 HydrophobicContact CZ-CH2 4.35Å; F157-W180 HydrophobicContact CZ-CZ2 4.41Å; F161-W180 HydrophobicContact CE2-CZ2 4.48Å; F161-W180 AromaticContact CZ-NE1 3.82Å; N176-W180 WeakPolarHBondContact O-CA 3.43Å; N176-W180 WeakPolarHBondContact O-CB 3.32Å; N176-W180 PolarHBondContact O-N 2.85Å; W180-F212 CarbonylContact C-O 3.52Å; W180-F212 WeakPolarHBondContact CA-O 3.43Å; W180-F212 VanDerWaalsContact CB-O 3.3Å; W180-F212 WeakPolarHBondContact CB-O 3.24Å; W180-R214 HydrophobicContact CB-CB 4.14Å; W180-R214 HydrophobicContact CD2-CB 4.38Å; W180-R214 HydrophobicContact CE3-CB 4.33Å; W180-R214 HydrophobicContact CG-CB 4.34Å
181S89.3Confident95.9Very high0 Ų015.2 Ų15.20%07%0.074CC..  trans-151.7127.5-179.360.70000111.4Q122 S125 V179 F212Q122-S181 PolarHBondContact NE2-O 3.14Å; Q122-S181 VanDerWaalsContact NE2-O 3.1Å; S125-S181 VanDerWaalsContact CB-OG 3.24Å; S125-S181 WeakPolarHBondContact CB-OG 3.34Å; S125-S181 CarbonylContact O-C 3.52Å; S125-S181 WeakPolarHBondContact O-CB 3.37Å; S125-S181 VanDerWaalsContact O-O 3.13Å; S125-S181 PolarHBondContact O-OG 2.8Å; V179-S181 PolarHBondContact O-N 2.99Å; S181-F212 PolarHBondContact N-O 2.82Å
182G88.2Confident95.9Very high0 Ų016 Ų160%08%0.079CC..  trans64.2-167.5-168.800000113Q122 S125 T146 D147 R214Q122-G182 VanDerWaalsContact OE1-CA 3.3Å; S125-G182 PolarHBondContact O-N 3.32Å; T146-G182 PolarHBondContact OG1-O 3.01Å; D147-G182 PolarHBondContact OD2-N 2.8Å; D147-G182 VanDerWaalsContact OD2-N 3.16Å; G182-R214 PolarHBondContact O-N 2.82Å; G182-R214 VanDerWaalsContact O-N 3.12Å
183G91.6Very high95.7Very high1 Ų122.2 Ų22.21%0.0111%0.106CC..  trans111.2-170.3-164.700000111.5D145 T146 R214D145-G183 WeakPolarHBondContact CA-O 3.48Å; T146-G183 PolarHBondContact N-O 3.5Å; G183-R214 WeakPolarHBondContact CA-O 3.5Å
184S93.1Very high95.3Very high0 Ų022.9 Ų22.90%011%0.109CC..EExtended strand (participates in β ladder)trans-124.7135.8-178.1-60.80000112.4R214 T215 L216 Y227S184-R214 PolarHBondContact N-O 3.02Å; S184-T215 PolarHBondContact N-OG1 2.92Å; S184-T215 CarbonylContact O-C 3.49Å; S184-T215 VanDerWaalsContact O-CA 3.26Å; S184-T215 WeakPolarHBondContact O-CA 3.41Å; S184-L216 PolarHBondContact O-N 2.84Å; S184-Y227 VanDerWaalsContact CB-OH 3.26Å; S184-Y227 WeakPolarHBondContact CB-OH 3.12Å; S184-Y227 PolarHBondContact OG-OH 2.84Å
185F95.9Very high94.6Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-108.3119.4166.8-177.9-93.5000109.5I142 F143 K144 T146 A149 L156 F157 L216 I218I142-F185 HydrophobicContact CB-CE1 4.37Å; I142-F185 HydrophobicContact CD1-CE1 4.48Å; I142-F185 HydrophobicContact CG2-CD1 3.86Å; I142-F185 HydrophobicContact CG2-CE1 4Å; F143-F185 WeakPolarHBondContact CA-O 3.37Å; K144-F185 PolarHBondContact N-O 3Å; K144-F185 PolarHBondContact O-N 3.42Å; T146-F185 HydrophobicContact CG2-CB 4.27Å; A149-F185 HydrophobicContact CB-CB 3.33Å; A149-F185 HydrophobicContact CB-CD1 3.63Å; A149-F185 HydrophobicContact CB-CD2 4.08Å; A149-F185 HydrophobicContact CB-CE1 4.46Å; A149-F185 HydrophobicContact CB-CG 3.4Å; A149-F185 VanDerWaalsContact CB-CG 3.4Å; L156-F185 HydrophobicContact CD2-CE1 4.16Å; L156-F185 HydrophobicContact CD2-CZ 3.92Å; L156-F185 HydrophobicContact CG-CZ 4.07Å; F157-F185 HydrophobicContact CB-CE2 4.35Å; F157-F185 AromaticContact CD2-CD2 3.64Å; F157-F185 HydrophobicContact CD2-CD2 3.64Å; F157-F185 AromaticContact CD2-CE2 3.89Å; F157-F185 HydrophobicContact CD2-CE2 3.89Å; F157-F185 HydrophobicContact CD2-CG 4.41Å; F157-F185 HydrophobicContact CE2-CD2 4.14Å; F157-F185 HydrophobicContact CG-CE2 4.48Å; F185-L216 WeakPolarHBondContact CA-O 3.44Å; F185-L216 HydrophobicContact CD2-CB 4.13Å; F185-L216 HydrophobicContact CD2-CD2 3.81Å; F185-L216 HydrophobicContact CD2-CG 4.03Å; F185-L216 HydrophobicContact CE2-CD2 3.67Å; F185-L216 HydrophobicContact CE2-CG 4.09Å; F185-I218 HydrophobicContact CE2-CD1 3.93Å; F185-I218 HydrophobicContact CZ-CD1 4.17Å
186I96.6Very high93.9Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-124.6125.2180-62167.8000109.3I142 F143 V188 L198 L216 I217 I218 Y227I142-I186 CarbonylContact O-C 3.6Å; I142-I186 VanDerWaalsContact O-CA 3.24Å; I142-I186 WeakPolarHBondContact O-CA 3.44Å; F143-I186 HydrophobicContact CD2-CD1 4Å; F143-I186 HydrophobicContact CD2-CG1 3.5Å; F143-I186 VanDerWaalsContact CD2-CG1 3.5Å; F143-I186 HydrophobicContact CE2-CD1 4.04Å; F143-I186 HydrophobicContact CE2-CG1 4Å; F143-I186 HydrophobicContact CG-CG1 4.35Å; I186-V188 HydrophobicContact CG2-CG2 3.94Å; I186-L198 HydrophobicContact CD1-CD1 3.93Å; I186-L198 HydrophobicContact CG1-CD1 4.19Å; I186-L198 HydrophobicContact CG2-CD1 3.95Å; I186-L216 PolarHBondContact N-O 3.05Å; I186-I217 HydrophobicContact CB-CB 4.4Å; I186-I217 HydrophobicContact CB-CG1 4.17Å; I186-I217 HydrophobicContact CB-CG2 4.13Å; I186-I217 HydrophobicContact CD1-CD1 4.07Å; I186-I217 HydrophobicContact CD1-CG1 4.11Å; I186-I217 HydrophobicContact CG2-CG2 4.17Å; I186-I217 CarbonylContact O-C 3.53Å; I186-I217 WeakPolarHBondContact O-CA 3.32Å; I186-I218 PolarHBondContact O-N 2.5Å; I186-Y227 HydrophobicContact CD1-CD2 3.24Å; I186-Y227 HydrophobicContact CD1-CE2 3.53Å; I186-Y227 HydrophobicContact CD1-CG 3.95Å
187Y97.3Very high93.4Very high43 Ų4334.1 Ų34.117%0.16917%0.172CC..EExtended strand (participates in β ladder)trans-126.4123.3168.7174.5-96.3000109.8I141 I142 L156 P189 I218 D220I141-Y187 WeakPolarHBondContact CA-O 3.29Å; I142-Y187 HydrophobicContact CD1-CD1 4.26Å; I142-Y187 HydrophobicContact CG1-CD1 4.47Å; I142-Y187 PolarHBondContact N-O 2.85Å; I142-Y187 PolarHBondContact O-N 2.85Å; L156-Y187 HydrophobicContact CD1-CD2 4.32Å; L156-Y187 HydrophobicContact CD1-CE2 4.25Å; L156-Y187 HydrophobicContact CD2-CD1 4.2Å; L156-Y187 HydrophobicContact CD2-CD2 3.89Å; L156-Y187 HydrophobicContact CD2-CE2 4.4Å; L156-Y187 HydrophobicContact CD2-CG 3.78Å; Y187-P189 HydrophobicContact CD1-CG 4.29Å; Y187-P189 HydrophobicContact CE1-CB 4.28Å; Y187-P189 HydrophobicContact CE1-CG 3.91Å; Y187-I218 WeakPolarHBondContact CA-O 3.35Å; Y187-I218 HydrophobicContact CD2-CB 3.91Å; Y187-I218 HydrophobicContact CD2-CG2 3.8Å; Y187-I218 HydrophobicContact CE2-CG2 4.07Å; Y187-D220 HydrophobicContact CE2-CB 4.48Å; Y187-D220 PolarHBondContact OH-OD2 3.21Å; Y187-D220 VanDerWaalsContact OH-OD2 3.09Å
188V97.2Very high93Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-112.4115.7177.7-170.40000109.1I141 I186 I192 L194 I218 D220 A223 V225I141-V188 HydrophobicContact CG1-CG1 4.43Å; I186-V188 HydrophobicContact CG2-CG2 3.94Å; V188-I192 HydrophobicContact CG1-CB 3.99Å; V188-I192 HydrophobicContact CG1-CG2 4.11Å; V188-L194 HydrophobicContact CG1-CD1 3.73Å; V188-L194 HydrophobicContact CG2-CD1 4.19Å; V188-I218 PolarHBondContact N-O 2.74Å; V188-D220 VanDerWaalsContact O-CB 3.29Å; V188-D220 WeakPolarHBondContact O-CB 3.39Å; V188-D220 PolarHBondContact O-N 2.96Å; V188-A223 HydrophobicContact CB-CB 4.01Å; V188-A223 HydrophobicContact CG1-CB 3.72Å; V188-V225 HydrophobicContact CG2-CB 3.94Å; V188-V225 HydrophobicContact CG2-CG1 4.05Å; V188-V225 HydrophobicContact CG2-CG2 4.34Å
189P97.2Very high92.3Very high23 Ų2334.3 Ų34.315%0.14917%0.173CC..  trans-64.1166.1-178.8-21.331.6000113.8G140 Y187 N191 I192 A223G140-P189 WeakPolarHBondContact O-CG 3.21Å; Y187-P189 HydrophobicContact CD1-CG 4.29Å; Y187-P189 HydrophobicContact CE1-CB 4.28Å; Y187-P189 HydrophobicContact CE1-CG 3.91Å; P189-N191 PolarHBondContact O-N 2.93Å; P189-I192 HydrophobicContact CB-CG1 4.03Å; P189-I192 HydrophobicContact CG-CG1 4.43Å; P189-I192 WeakPolarHBondContact O-CB 3.3Å; P189-I192 PolarHBondContact O-N 3.04Å; P189-A223 WeakPolarHBondContact O-CB 3.17Å
190K97.8Very high91.6Very high93 Ų9334.3 Ų34.340%0.40417%0.173SC..THydrogen-bonded Turntrans-52.7134.5-179.2-63-168.6173.6-157.70112.4I192 D220 E221K190-I192 PolarHBondContact O-N 3.37Å; K190-I192 VanDerWaalsContact O-N 3.14Å; K190-D220 VanDerWaalsContact CE-OD1 3.3Å; K190-D220 WeakPolarHBondContact CE-OD1 3.11Å; K190-D220 HydrophobicContact CG-CB 3.95Å; K190-D220 WeakPolarHBondContact CG-OD2 3.38Å; K190-E221 CarbonylContact C-O 3.53Å; K190-E221 WeakPolarHBondContact CA-O 3.42Å; K190-E221 HydrophobicContact CD-CB 4.19Å; K190-E221 HydrophobicContact CG-CB 4.18Å; K190-E221 IonicContact NZ-OE1 3.23Å; K190-E221 PolarHBondContact NZ-OE1 2.83Å; K190-E221 IonicContact NZ-OE2 2.68Å; K190-E221 PolarHBondContact NZ-OE2 3.16Å
191N97Very high90.6Very high123 Ų12334.8 Ų34.866%0.65818%0.175SC*.THydrogen-bonded Turntrans60.413.1176.5-50.9-64.8000115.5P189 E221P189-N191 PolarHBondContact O-N 2.93Å; N191-E221 PolarHBondContact N-O 3.24Å
192I95.9Very high89.9Confident40 Ų4034.8 Ų34.821%0.20518%0.175CC..  trans-89.2127.3173.9-59-60000109.4K139 I141 V188 P189 K190 L194 A223 S224K139-I192 HydrophobicContact CB-CD1 4.41Å; K139-I192 HydrophobicContact CB-CG2 4.49Å; I141-I192 HydrophobicContact CD1-CG2 3.77Å; I141-I192 HydrophobicContact CG1-CG2 4.02Å; V188-I192 HydrophobicContact CG1-CB 3.99Å; V188-I192 HydrophobicContact CG1-CG2 4.11Å; P189-I192 HydrophobicContact CB-CG1 4.03Å; P189-I192 HydrophobicContact CG-CG1 4.43Å; P189-I192 WeakPolarHBondContact O-CB 3.3Å; P189-I192 PolarHBondContact O-N 3.04Å; K190-I192 PolarHBondContact O-N 3.37Å; K190-I192 VanDerWaalsContact O-N 3.14Å; I192-L194 HydrophobicContact CG2-CD1 4.36Å; I192-A223 CarbonylContact O-C 3.59Å; I192-A223 WeakPolarHBondContact O-CA 3.26Å; I192-S224 PolarHBondContact O-N 3.3Å
193K93.9Very high89.2Confident143 Ų14334.8 Ų34.862%0.62218%0.175SC*.BIsolated β-bridgetrans-117.4126.9176.6-58.4-171.3178.7-173.50109
194L90.4Very high88.2Confident15 Ų1534.9 Ų34.98%0.07918%0.175CC..  trans-88.1125.9170.7-72.576.4000108.3L136 I141 V188 I192 L198 S224 V225L136-L194 HydrophobicContact CD2-CD2 4.44Å; L136-L194 HydrophobicContact CD2-CG 4.3Å; I141-L194 HydrophobicContact CD1-CD1 3.58Å; I141-L194 HydrophobicContact CD1-CD2 4.28Å; I141-L194 HydrophobicContact CD1-CG 3.95Å; I141-L194 HydrophobicContact CG1-CD1 4.35Å; V188-L194 HydrophobicContact CG1-CD1 3.73Å; V188-L194 HydrophobicContact CG2-CD1 4.19Å; I192-L194 HydrophobicContact CG2-CD1 4.36Å; L194-L198 HydrophobicContact CD2-CD1 3.98Å; L194-L198 HydrophobicContact CD2-CD2 4.02Å; L194-L198 HydrophobicContact CD2-CG 3.76Å; L194-S224 WeakPolarHBondContact CD1-O 3.44Å; L194-S224 PolarHBondContact N-O 3.11Å; L194-V225 HydrophobicContact CD1-CB 4.47Å; L194-V225 HydrophobicContact CD2-CG2 4.32Å
195D82.4Confident87.2Confident163 Ų16335 Ų3587%0.87218%0.176SC*.SBendtrans-84.4-20.7175.8-65.1-40.8000111.9
196T83.3Confident85.8Confident52 Ų5235.2 Ų35.232%0.31918%0.177SC..SBendtrans-116.7145.8178.945.60000110.6A117A117-T196 WeakPolarHBondContact CB-OG1 3.31Å
197P87.9Confident84.4Confident20 Ų2038.7 Ų38.713%0.1319%0.194CC..  trans-72.1150.8-179.228.6-33.5000112.3L116 A117 H226 V228L116-P197 HydrophobicContact CD2-CG 4.1Å; A117-P197 PolarHBondContact N-O 3.05Å; A117-P197 VanDerWaalsContact N-O 3.08Å; P197-H226 CarbonylContact C-O 3.53Å; P197-H226 WeakPolarHBondContact CA-O 3.29Å; P197-H226 HydrophobicContact CB-CB 4.12Å; P197-V228 HydrophobicContact CB-CG2 3.96Å
198L88.7Confident83.3Confident0 Ų037.5 Ų37.50%019%0.19CC..EExtended strand (participates in β ladder)trans-87.2146.1160.9-63177.2000109A117 L136 F143 I186 L194 V225 H226 Y227 V228A117-L198 HydrophobicContact CB-CD2 3.99Å; L136-L198 HydrophobicContact CD1-CD2 4.33Å; F143-L198 HydrophobicContact CB-CD1 4.3Å; F143-L198 HydrophobicContact CD1-CD1 4.32Å; F143-L198 HydrophobicContact CD1-CD2 3.81Å; F143-L198 HydrophobicContact CD1-CG 4.47Å; F143-L198 HydrophobicContact CD2-CD1 4.49Å; F143-L198 HydrophobicContact CE1-CB 4.32Å; F143-L198 HydrophobicContact CE1-CD2 4.18Å; F143-L198 HydrophobicContact CG-CD1 4.13Å; F143-L198 HydrophobicContact CG-CD2 4.4Å; F143-L198 HydrophobicContact CZ-CB 4.48Å; I186-L198 HydrophobicContact CD1-CD1 3.93Å; I186-L198 HydrophobicContact CG1-CD1 4.19Å; I186-L198 HydrophobicContact CG2-CD1 3.95Å; L194-L198 HydrophobicContact CD2-CD1 3.98Å; L194-L198 HydrophobicContact CD2-CD2 4.02Å; L194-L198 HydrophobicContact CD2-CG 3.76Å; L198-V225 HydrophobicContact CD1-CG2 4.1Å; L198-H226 PolarHBondContact N-O 3.12Å; L198-Y227 HydrophobicContact CB-CD2 4.03Å; L198-Y227 CarbonylContact O-C 3.52Å; L198-Y227 WeakPolarHBondContact O-CA 3.09Å; L198-V228 PolarHBondContact O-N 3.32Å
199Q83.6Confident82.4Confident4 Ų437.5 Ų37.52%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-128.3140.1-177.8-178.8169.9-38.800112.8L116 G118 V119 S120 F143 V228 Y448L116-Q199 HydrophobicContact CD1-CB 3.85Å; L116-Q199 HydrophobicContact CD1-CG 4.27Å; L116-Q199 HydrophobicContact CD2-CB 4.08Å; L116-Q199 VanDerWaalsContact CD2-OE1 3.28Å; G118-Q199 PolarHBondContact O-N 3.45Å; V119-Q199 CarbonylContact C-O 3.48Å; V119-Q199 WeakPolarHBondContact CA-O 3.41Å; V119-Q199 HydrophobicContact CG2-CB 4.49Å; S120-Q199 PolarHBondContact N-O 3.37Å; S120-Q199 PolarHBondContact OG-O 3.47Å; F143-Q199 WeakPolarHBondContact CZ-O 3.49Å; Q199-V228 CarbonylContact C-O 3.5Å; Q199-V228 VanDerWaalsContact CA-O 3.3Å; Q199-V228 WeakPolarHBondContact CA-O 3.28Å; Q199-Y448 PolarHBondContact NE2-OH 3.2Å; Q199-Y448 PolarHBondContact OE1-OH 3.47Å
200A80.9Confident81.8Confident0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-123.3140.5161.200000111S120 F202 Y227 V228 E229 G230S120-A200 CarbonylContact O-C 3.5Å; S120-A200 VanDerWaalsContact O-CA 3.26Å; S120-A200 WeakPolarHBondContact O-CA 3.47Å; S120-A200 VanDerWaalsContact OG-CB 3.27Å; S120-A200 WeakPolarHBondContact OG-CB 3.34Å; A200-F202 HydrophobicContact CB-CD2 4.45Å; A200-F202 HydrophobicContact CB-CE2 3.62Å; A200-F202 HydrophobicContact CB-CZ 3.81Å; A200-Y227 HydrophobicContact CB-CE2 3.92Å; A200-Y227 WeakPolarHBondContact CB-OH 3.23Å; A200-V228 PolarHBondContact N-O 3.1Å; A200-E229 WeakPolarHBondContact O-CA 3.32Å; A200-G230 PolarHBondContact O-N 2.68Å
201Y75.3Confident81.2Confident10 Ų1032 Ų324%0.03916%0.164CC..EExtended strand (participates in β ladder)trans-119.9128.2174-158.1-81.7000110.1F103 L106 I108 S120 A121 Q122 G230 T232F103-Y201 HydrophobicContact CD1-CD1 4.4Å; F103-Y201 AromaticContact CE1-CD1 3.96Å; F103-Y201 HydrophobicContact CE1-CD1 3.96Å; L106-Y201 HydrophobicContact CD1-CD1 4.18Å; L106-Y201 HydrophobicContact CD1-CE1 3.36Å; L106-Y201 VanDerWaalsContact CD2-OH 3.27Å; L106-Y201 WeakPolarHBondContact CD2-OH 3.16Å; L106-Y201 HydrophobicContact CG-CE1 4.45Å; I108-Y201 HydrophobicContact CD1-CD1 3.9Å; I108-Y201 HydrophobicContact CD1-CD2 3.79Å; I108-Y201 HydrophobicContact CD1-CE2 4.43Å; I108-Y201 HydrophobicContact CD1-CG 3.46Å; I108-Y201 VanDerWaalsContact CD1-CG 3.46Å; I108-Y201 HydrophobicContact CG1-CD2 4.41Å; S120-Y201 PolarHBondContact O-N 2.6Å; A121-Y201 CarbonylContact C-O 3.4Å; A121-Y201 WeakPolarHBondContact CA-O 3.34Å; Q122-Y201 PolarHBondContact N-O 2.89Å; Y201-G230 CarbonylContact C-O 3.55Å; Y201-G230 WeakPolarHBondContact CA-O 2.98Å; Y201-T232 VanDerWaalsContact CE1-OG1 3.31Å; Y201-T232 WeakPolarHBondContact CE1-OG1 3.47Å; Y201-T232 WeakPolarHBondContact OH-CB 3.38Å; Y201-T232 WeakPolarHBondContact OH-CG2 3.32Å; Y201-T232 PolarHBondContact OH-OG1 2.84Å
202F75Confident81Confident1 Ų126.1 Ų26.10%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-115.7128.6-178-60.9-80.9000110.2Q122 A200 E213 E229 G230 C231 T232Q122-F202 HydrophobicContact CB-CD1 3.51Å; Q122-F202 HydrophobicContact CB-CE1 3.86Å; Q122-F202 HydrophobicContact CG-CD1 3.85Å; Q122-F202 HydrophobicContact CG-CE1 4.32Å; Q122-F202 VanDerWaalsContact OE1-CE1 3.29Å; A200-F202 HydrophobicContact CB-CD2 4.45Å; A200-F202 HydrophobicContact CB-CE2 3.62Å; A200-F202 HydrophobicContact CB-CZ 3.81Å; F202-E213 HydrophobicContact CD1-CB 4.32Å; F202-E213 WeakPolarHBondContact CD1-OE2 3.16Å; F202-E213 HydrophobicContact CE1-CB 3.91Å; F202-E213 HydrophobicContact CE1-CG 4.22Å; F202-E213 VanDerWaalsContact CE1-OE2 3.3Å; F202-E213 WeakPolarHBondContact CE1-OE2 3.44Å; F202-E213 WeakPolarHBondContact CG-OE2 3.46Å; F202-E213 HydrophobicContact CZ-CB 4.49Å; F202-E213 HydrophobicContact CZ-CG 4.45Å; F202-E229 HydrophobicContact CD2-CG 3.81Å; F202-E229 HydrophobicContact CE2-CG 3.8Å; F202-G230 PolarHBondContact N-O 3.08Å; F202-C231 WeakPolarHBondContact O-CA 3.41Å; F202-T232 PolarHBondContact O-N 3.11Å; F202-T232 VanDerWaalsContact O-N 3.1Å
203R73.3Confident80.9Confident0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-131.1126.2176.2-177.6158.2169.1140.9-4.7112.4F15 D17 T102 Q122 Y123 E124 N205 T232F15-R203 PolarHBondContact O-NH2 3.03Å; D17-R203 IonicContact OD2-NH2 3.72Å; T102-R203 VanDerWaalsContact CG2-NH1 3.29Å; Q122-R203 PolarHBondContact O-N 2.89Å; Y123-R203 HydrophobicContact CD2-CB 4.45Å; Y123-R203 HydrophobicContact CE2-CG 4.49Å; E124-R203 PolarHBondContact N-O 3.03Å; R203-N205 PolarHBondContact NH2-OD1 2.92Å; R203-T232 WeakPolarHBondContact CA-O 3.26Å
204I69.4Low80.9Confident2 Ų217.5 Ų17.51%0.019%0.094CC..  trans-91.2119.8166.6-64.2178.3000105.7M209 Q211 T232 A233 P234 H242 W264I204-M209 HydrophobicContact CB-CE 4.03Å; I204-M209 HydrophobicContact CG1-CE 3.76Å; I204-M209 HydrophobicContact CG2-CE 3.83Å; I204-Q211 HydrophobicContact CD1-CB 3.74Å; I204-Q211 HydrophobicContact CG1-CB 3.77Å; I204-Q211 HydrophobicContact CG1-CG 4.36Å; I204-T232 PolarHBondContact N-O 2.79Å; I204-A233 HydrophobicContact CB-CB 4.08Å; I204-P234 WeakPolarHBondContact O-CD 3.38Å; I204-H242 HydrophobicContact CD1-CB 4.18Å; I204-W264 HydrophobicContact CB-CZ3 4.19Å; I204-W264 HydrophobicContact CD1-CE3 4.23Å; I204-W264 HydrophobicContact CD1-CH2 3.83Å; I204-W264 HydrophobicContact CD1-CZ3 3.56Å; I204-W264 HydrophobicContact CG1-CH2 4.01Å; I204-W264 HydrophobicContact CG1-CZ3 3.71Å
205N72.8Confident81.2Confident2 Ų216.8 Ų16.81%0.0119%0.09CC..  trans-114.2-15.1176.6-167.975.7000113.1H16 D17 Y123 E124 R203 P234 Y236H16-N205 WeakPolarHBondContact CA-OD1 3.47Å; D17-N205 PolarHBondContact N-OD1 2.97Å; D17-N205 PolarHBondContact O-ND2 2.85Å; Y123-N205 HydrophobicContact CE1-CB 3.76Å; Y123-N205 HydrophobicContact CE2-CB 4.03Å; Y123-N205 VanDerWaalsContact OH-CB 3.22Å; Y123-N205 WeakPolarHBondContact OH-CB 3.44Å; Y123-N205 PolarHBondContact OH-ND2 2.9Å; Y123-N205 PolarHBondContact OH-OD1 2.92Å; E124-N205 VanDerWaalsContact CD-N 3.32Å; E124-N205 WeakPolarHBondContact OE1-CA 3.5Å; E124-N205 WeakPolarHBondContact OE1-CB 3.29Å; E124-N205 PolarHBondContact OE1-N 2.9Å; E124-N205 PolarHBondContact OE2-N 2.96Å; R203-N205 PolarHBondContact NH2-OD1 2.92Å; N205-P234 HydrophobicContact CB-CG 4.44Å; N205-P234 WeakPolarHBondContact OD1-CG 3.46Å; N205-Y236 WeakPolarHBondContact O-CE2 3.43Å; N205-Y236 PolarHBondContact O-OH 3.4Å
206S65.2Low82Confident5 Ų59.1 Ų9.14%0.0355%0.049CC..SBendtrans-98.4139.8-174.6-74.90000112.8R24 E124 M209R24-S206 PolarHBondContact NH1-OG 2.83Å; E124-S206 WeakPolarHBondContact OE1-CA 3.39Å; E124-S206 WeakPolarHBondContact OE1-CB 3.29Å; E124-S206 PolarHBondContact OE1-N 3.38Å; E124-S206 PolarHBondContact OE1-OG 2.82Å; E124-S206 PolarHBondContact OE2-N 2.88Å; S206-M209 WeakPolarHBondContact O-CB 3.38Å; S206-M209 PolarHBondContact O-N 3.49Å
207E67.8Low82.7Confident73 Ų736.7 Ų6.734%0.3413%0.034SC..THydrogen-bonded Turntrans-64.4140.9171.3-167174.4-139.400111M209 Y236 T237 T238E207-M209 PolarHBondContact O-N 3.14Å; E207-Y236 HydrophobicContact CB-CD1 3.79Å; E207-Y236 HydrophobicContact CB-CD2 4.46Å; E207-Y236 HydrophobicContact CB-CE1 4.06Å; E207-Y236 HydrophobicContact CB-CG 4.01Å; E207-Y236 HydrophobicContact CG-CD1 4.03Å; E207-Y236 HydrophobicContact CG-CG 4.11Å; E207-T237 PolarHBondContact OE1-OG1 2.7Å; E207-T238 HydrophobicContact CG-CG2 4.31Å; E207-T238 WeakPolarHBondContact CG-OG1 3.34Å
208N73.6Confident83.2Confident19 Ų195.7 Ų5.710%0.1023%0.028CC..THydrogen-bonded Turntrans58.122.5-176.2-54-61.9000115.1R27 I78 T79 T238R27-N208 PolarHBondContact NH2-ND2 2.85Å; I78-N208 WeakPolarHBondContact CA-O 3.46Å; T79-N208 PolarHBondContact N-O 2.85Å; N208-T238 VanDerWaalsContact CG-OG1 3.23Å; N208-T238 WeakPolarHBondContact OD1-CB 3.35Å; N208-T238 PolarHBondContact OD1-OG1 3.26Å
209M79.1Confident83.7Confident0 Ų05.7 Ų5.70%03%0.028CC..BIsolated β-bridgetrans-87139175.8-161.1-160.663.500111.6V82 E124 I204 S206 E207 Q211 S240 L241V82-M209 HydrophobicContact CB-SD 4.27Å; V82-M209 HydrophobicContact CG2-CG 4.09Å; V82-M209 HydrophobicContact CG2-SD 4.19Å; E124-M209 HydrophobicContact CB-CE 4.17Å; E124-M209 HydrophobicContact CB-SD 3.43Å; E124-M209 WeakPolarHBondContact CB-SD 3.26Å; E124-M209 VanDerWaalsContact CD-SD 3.52Å; E124-M209 HydrophobicContact CG-SD 3.96Å; E124-M209 WeakPolarHBondContact OE2-CE 3.45Å; I204-M209 HydrophobicContact CB-CE 4.03Å; I204-M209 HydrophobicContact CG1-CE 3.76Å; I204-M209 HydrophobicContact CG2-CE 3.83Å; S206-M209 WeakPolarHBondContact O-CB 3.38Å; S206-M209 PolarHBondContact O-N 3.49Å; E207-M209 PolarHBondContact O-N 3.14Å; M209-Q211 HydrophobicContact CE-CB 3.94Å; M209-S240 WeakPolarHBondContact O-CB 3.28Å; M209-L241 PolarHBondContact O-N 2.77Å
210G84Confident84.4Confident0 Ų06.4 Ų6.40%03%0.032CC..EExtended strand (participates in β ladder)trans-96.5132163.500000111.1T79 F212 L241T79-G210 PolarHBondContact O-N 2.89Å; G210-F212 VanDerWaalsContact CA-CE2 3.44Å; G210-F212 WeakPolarHBondContact O-CD2 3.39Å; G210-F212 WeakPolarHBondContact O-CE2 3.43Å; G210-L241 CarbonylContact C-O 3.46Å; G210-L241 WeakPolarHBondContact CA-O 3.17Å
211Q86.2Confident85.2Confident0 Ų010.4 Ų10.40%05%0.05CC..EExtended strand (participates in β ladder)trans-105.9125.3172.2-171175.354.900110.1E124 I204 M209 L241 H242 S243 W264E124-Q211 PolarHBondContact O-NE2 2.84Å; E124-Q211 VanDerWaalsContact O-NE2 3.16Å; I204-Q211 HydrophobicContact CD1-CB 3.74Å; I204-Q211 HydrophobicContact CG1-CB 3.77Å; I204-Q211 HydrophobicContact CG1-CG 4.36Å; M209-Q211 HydrophobicContact CE-CB 3.94Å; Q211-L241 PolarHBondContact N-O 3.25Å; Q211-H242 PolarHBondContact OE1-ND1 3.37Å; Q211-S243 PolarHBondContact O-N 2.8Å; Q211-W264 VanDerWaalsContact OE1-CH2 3.31Å
212F92.3Very high86.3Confident0 Ų010.5 Ų10.50%05%0.054CC..  trans-130.954.6-171.6-54.6-82.4000110.6Y80 L175 N176 V179 W180 S181 G210 L241Y80-F212 HydrophobicContact CD1-CD2 4.16Å; Y80-F212 HydrophobicContact CD1-CE1 4.45Å; Y80-F212 AromaticContact CD1-CE2 3.28Å; Y80-F212 HydrophobicContact CD1-CE2 3.28Å; Y80-F212 AromaticContact CD1-CZ 3.47Å; Y80-F212 HydrophobicContact CD1-CZ 3.47Å; Y80-F212 VanDerWaalsContact CD1-CZ 3.47Å; Y80-F212 HydrophobicContact CE1-CE1 4.32Å; Y80-F212 AromaticContact CE1-CE2 3.8Å; Y80-F212 HydrophobicContact CE1-CE2 3.8Å; Y80-F212 AromaticContact CE1-CZ 3.45Å; Y80-F212 HydrophobicContact CE1-CZ 3.45Å; Y80-F212 VanDerWaalsContact CE1-CZ 3.45Å; Y80-F212 HydrophobicContact CG-CE2 4.19Å; L175-F212 HydrophobicContact CD2-CE1 3.66Å; L175-F212 HydrophobicContact CD2-CZ 4.28Å; L175-F212 HydrophobicContact CG-CD1 4.33Å; L175-F212 HydrophobicContact CG-CE1 3.78Å; L175-F212 HydrophobicContact CG-CZ 4.49Å; N176-F212 PolarHBondContact ND2-O 2.89Å; V179-F212 HydrophobicContact CG2-CB 4.03Å; V179-F212 HydrophobicContact CG2-CD1 3.9Å; V179-F212 HydrophobicContact CG2-CD2 3.62Å; V179-F212 HydrophobicContact CG2-CE1 4.27Å; V179-F212 HydrophobicContact CG2-CE2 4Å; V179-F212 HydrophobicContact CG2-CG 3.56Å; V179-F212 HydrophobicContact CG2-CZ 4.31Å; W180-F212 CarbonylContact C-O 3.52Å; W180-F212 WeakPolarHBondContact CA-O 3.43Å; W180-F212 VanDerWaalsContact CB-O 3.3Å; W180-F212 WeakPolarHBondContact CB-O 3.24Å; S181-F212 PolarHBondContact N-O 2.82Å; G210-F212 VanDerWaalsContact CA-CE2 3.44Å; G210-F212 WeakPolarHBondContact O-CD2 3.39Å; G210-F212 WeakPolarHBondContact O-CE2 3.43Å; F212-L241 HydrophobicContact CE1-CD2 3.96Å; F212-L241 HydrophobicContact CE1-CG 4.35Å; F212-L241 HydrophobicContact CZ-CD2 4.09Å
213E93Very high87.4Confident0 Ų010.5 Ų10.50%05%0.054CC..  trans-65.6152.6176.470.7-155.3-155.500111.6N176 F202 H242 A244 V245N176-E213 PolarHBondContact ND2-O 2.99Å; F202-E213 HydrophobicContact CD1-CB 4.32Å; F202-E213 WeakPolarHBondContact CD1-OE2 3.16Å; F202-E213 HydrophobicContact CE1-CB 3.91Å; F202-E213 HydrophobicContact CE1-CG 4.22Å; F202-E213 VanDerWaalsContact CE1-OE2 3.3Å; F202-E213 WeakPolarHBondContact CE1-OE2 3.44Å; F202-E213 WeakPolarHBondContact CG-OE2 3.46Å; F202-E213 HydrophobicContact CZ-CB 4.49Å; F202-E213 HydrophobicContact CZ-CG 4.45Å; E213-H242 VanDerWaalsContact CD-CE1 3.49Å; E213-H242 IonicContact OE1-CE1 2.77Å; E213-H242 PolarHBondContact OE1-CE1 3.08Å; E213-H242 IonicContact OE1-NE2 3.47Å; E213-H242 IonicContact OE2-CE1 3.91Å; E213-H242 PolarHBondContact OE2-CE1 3.02Å; E213-A244 HydrophobicContact CG-CB 3.52Å; E213-A244 WeakPolarHBondContact O-CA 3.43Å; E213-V245 PolarHBondContact O-N 3.11Å; E213-V245 VanDerWaalsContact O-N 3.14Å
214R95.5Very high88.6Confident2 Ų211.6 Ų11.61%0.0086%0.062CC..EExtended strand (participates in β ladder)trans-131.5119.1172.3-167.5165.7-174.1109.80.2110.1T146 V165 N176 S177 W180 G182 G183 S184 V245 E247T146-R214 WeakPolarHBondContact CG2-O 3.29Å; V165-R214 PolarHBondContact O-NH2 3.26Å; N176-R214 PolarHBondContact OD1-NH1 2.85Å; S177-R214 PolarHBondContact OG-NH1 3.01Å; W180-R214 HydrophobicContact CB-CB 4.14Å; W180-R214 HydrophobicContact CD2-CB 4.38Å; W180-R214 HydrophobicContact CE3-CB 4.33Å; W180-R214 HydrophobicContact CG-CB 4.34Å; G182-R214 PolarHBondContact O-N 2.82Å; G182-R214 VanDerWaalsContact O-N 3.12Å; G183-R214 WeakPolarHBondContact CA-O 3.5Å; S184-R214 PolarHBondContact N-O 3.02Å; R214-V245 CarbonylContact C-O 3.55Å; R214-V245 VanDerWaalsContact CA-O 3.29Å; R214-V245 WeakPolarHBondContact CA-O 3.3Å; R214-V245 HydrophobicContact CG-CB 4.22Å; R214-V245 HydrophobicContact CG-CG1 4.43Å; R214-E247 IonicContact CZ-OE1 3.31Å; R214-E247 IonicContact NE-OE1 3.04Å; R214-E247 PolarHBondContact NE-OE1 2.87Å; R214-E247 IonicContact NH2-OE1 2.73Å; R214-E247 PolarHBondContact NH2-OE1 2.82Å
215T96.9Very high89.8Confident0 Ų011.6 Ų11.60%06%0.062CC..EExtended strand (participates in β ladder)trans-107.6130.3-179.2-66.30000110.2S184 I217 Y227 V245 V246 E247 Y258S184-T215 PolarHBondContact N-OG1 2.92Å; S184-T215 CarbonylContact O-C 3.49Å; S184-T215 VanDerWaalsContact O-CA 3.26Å; S184-T215 WeakPolarHBondContact O-CA 3.41Å; T215-I217 HydrophobicContact CG2-CD1 4.07Å; T215-I217 HydrophobicContact CG2-CG1 3.85Å; T215-Y227 HydrophobicContact CG2-CE1 4.18Å; T215-V245 PolarHBondContact N-O 2.82Å; T215-V246 HydrophobicContact CG2-CG1 4.24Å; T215-V246 CarbonylContact O-C 3.48Å; T215-V246 WeakPolarHBondContact O-CA 3.5Å; T215-E247 PolarHBondContact O-N 3.16Å; T215-Y258 HydrophobicContact CG2-CE2 4.23Å
216L97.9Very high90.9Very high2 Ų213 Ų131%0.017%0.069CC..EExtended strand (participates in β ladder)trans-128111.8-179.1176.456.9000109.4F161 S184 F185 I186 I218 E247 I249F161-L216 HydrophobicContact CB-CD2 4.42Å; S184-L216 PolarHBondContact O-N 2.84Å; F185-L216 WeakPolarHBondContact CA-O 3.44Å; F185-L216 HydrophobicContact CD2-CB 4.13Å; F185-L216 HydrophobicContact CD2-CD2 3.81Å; F185-L216 HydrophobicContact CD2-CG 4.03Å; F185-L216 HydrophobicContact CE2-CD2 3.67Å; F185-L216 HydrophobicContact CE2-CG 4.09Å; I186-L216 PolarHBondContact N-O 3.05Å; L216-I218 HydrophobicContact CD1-CD1 3.93Å; L216-I218 HydrophobicContact CD1-CG1 4.49Å; L216-I218 HydrophobicContact CD2-CD1 4.23Å; L216-I218 HydrophobicContact CG-CD1 3.65Å; L216-E247 WeakPolarHBondContact CA-O 3.31Å; L216-E247 HydrophobicContact CD1-CB 3.83Å; L216-I249 HydrophobicContact CD1-CD1 3.81Å
217I98.2Very high92.2Very high0 Ų012.8 Ų12.80%07%0.067CC..EExtended strand (participates in β ladder)trans-117.5126.2-178.2-52.7-176.7000109.8I186 T215 V225 Y227 E247 I248 I249 V256 Y258I186-I217 HydrophobicContact CB-CB 4.4Å; I186-I217 HydrophobicContact CB-CG1 4.17Å; I186-I217 HydrophobicContact CB-CG2 4.13Å; I186-I217 HydrophobicContact CD1-CD1 4.07Å; I186-I217 HydrophobicContact CD1-CG1 4.11Å; I186-I217 HydrophobicContact CG2-CG2 4.17Å; I186-I217 CarbonylContact O-C 3.53Å; I186-I217 WeakPolarHBondContact O-CA 3.32Å; T215-I217 HydrophobicContact CG2-CD1 4.07Å; T215-I217 HydrophobicContact CG2-CG1 3.85Å; I217-V225 HydrophobicContact CG2-CG1 4.22Å; I217-Y227 HydrophobicContact CD1-CD1 3.87Å; I217-Y227 HydrophobicContact CD1-CE1 4.44Å; I217-Y227 HydrophobicContact CD1-CG 3.88Å; I217-E247 PolarHBondContact N-O 3.23Å; I217-I248 HydrophobicContact CB-CG1 4.16Å; I217-I248 HydrophobicContact CB-CG2 4.26Å; I217-I248 HydrophobicContact CD1-CD1 4.36Å; I217-I248 HydrophobicContact CD1-CG1 4.48Å; I217-I248 HydrophobicContact CG1-CG1 4.48Å; I217-I248 HydrophobicContact CG2-CG2 4.47Å; I217-I248 CarbonylContact O-C 3.55Å; I217-I248 VanDerWaalsContact O-CA 3.32Å; I217-I248 WeakPolarHBondContact O-CA 3.39Å; I217-I249 PolarHBondContact O-N 2.84Å; I217-V256 HydrophobicContact CG2-CG1 4.43Å; I217-Y258 HydrophobicContact CD1-CD2 3.72Å; I217-Y258 HydrophobicContact CD1-CE2 3.71Å
218I98.6Very high93.2Very high0 Ų09.3 Ų9.30%05%0.051CC..EExtended strand (participates in β ladder)trans-123.2113.4176.6-5795000108.7Y160 F185 I186 Y187 V188 L216 I249Y160-I218 HydrophobicContact CD1-CG1 4.29Å; Y160-I218 HydrophobicContact CD2-CD1 3.99Å; Y160-I218 HydrophobicContact CD2-CG1 3.7Å; Y160-I218 HydrophobicContact CD2-CG2 4.48Å; Y160-I218 HydrophobicContact CE1-CG2 4.42Å; Y160-I218 HydrophobicContact CE2-CG1 4.05Å; Y160-I218 HydrophobicContact CE2-CG2 3.96Å; Y160-I218 HydrophobicContact CG-CD1 4.26Å; Y160-I218 HydrophobicContact CG-CG1 3.82Å; F185-I218 HydrophobicContact CE2-CD1 3.93Å; F185-I218 HydrophobicContact CZ-CD1 4.17Å; I186-I218 PolarHBondContact O-N 2.5Å; Y187-I218 WeakPolarHBondContact CA-O 3.35Å; Y187-I218 HydrophobicContact CD2-CB 3.91Å; Y187-I218 HydrophobicContact CD2-CG2 3.8Å; Y187-I218 HydrophobicContact CE2-CG2 4.07Å; V188-I218 PolarHBondContact N-O 2.74Å; L216-I218 HydrophobicContact CD1-CD1 3.93Å; L216-I218 HydrophobicContact CD1-CG1 4.49Å; L216-I218 HydrophobicContact CD2-CD1 4.23Å; L216-I218 HydrophobicContact CG-CD1 3.65Å; I218-I249 HydrophobicContact CG1-CD1 4.17Å
219A98.6Very high93.9Very high0 Ų08.6 Ų8.60%05%0.047CC..EExtended strand (participates in β ladder)trans-101.7109.4168.400000108.4A223 V225 I249 H251 A254 V256A219-A223 HydrophobicContact CB-CB 4.1Å; A219-V225 HydrophobicContact CB-CG1 4.43Å; A219-I249 PolarHBondContact N-O 3.23Å; A219-H251 VanDerWaalsContact O-CB 3.29Å; A219-H251 WeakPolarHBondContact O-CB 3.38Å; A219-H251 PolarHBondContact O-CD2 2.79Å; A219-H251 VanDerWaalsContact O-CD2 3.27Å; A219-H251 PolarHBondContact O-N 2.91Å; A219-A254 HydrophobicContact CB-CB 4.03Å; A219-V256 HydrophobicContact CB-CG2 3.42Å; A219-V256 VanDerWaalsContact CB-CG2 3.42Å
220D98.3Very high93.7Very high19 Ų198.7 Ų8.710%0.1025%0.048CC..  trans-71.3176.5177.6-153.7-16.7000111.2Y187 V188 K190 G222 A223 A254Y187-D220 HydrophobicContact CE2-CB 4.48Å; Y187-D220 PolarHBondContact OH-OD2 3.21Å; Y187-D220 VanDerWaalsContact OH-OD2 3.09Å; V188-D220 VanDerWaalsContact O-CB 3.29Å; V188-D220 WeakPolarHBondContact O-CB 3.39Å; V188-D220 PolarHBondContact O-N 2.96Å; K190-D220 VanDerWaalsContact CE-OD1 3.3Å; K190-D220 WeakPolarHBondContact CE-OD1 3.11Å; K190-D220 HydrophobicContact CG-CB 3.95Å; K190-D220 WeakPolarHBondContact CG-OD2 3.38Å; D220-G222 PolarHBondContact O-N 2.96Å; D220-A223 WeakPolarHBondContact O-CB 3.49Å; D220-A223 PolarHBondContact O-N 2.89Å; D220-A254 VanDerWaalsContact O-CB 3.29Å; D220-A254 WeakPolarHBondContact O-CB 3.35Å
221E98.6Very high93Very high83 Ų838.8 Ų8.839%0.3885%0.049SC..THydrogen-bonded Turntrans-52.8125.1-170.8-63.2171.3-164.500112.9K190 N191 A223 H251 K252K190-E221 CarbonylContact C-O 3.53Å; K190-E221 WeakPolarHBondContact CA-O 3.42Å; K190-E221 HydrophobicContact CD-CB 4.19Å; K190-E221 HydrophobicContact CG-CB 4.18Å; K190-E221 IonicContact NZ-OE1 3.23Å; K190-E221 PolarHBondContact NZ-OE1 2.83Å; K190-E221 IonicContact NZ-OE2 2.68Å; K190-E221 PolarHBondContact NZ-OE2 3.16Å; N191-E221 PolarHBondContact N-O 3.24Å; E221-A223 PolarHBondContact O-N 2.62Å; E221-H251 HydrophobicContact CG-CB 4.3Å; E221-K252 CarbonylContact C-O 3.57Å; E221-K252 WeakPolarHBondContact CA-O 3.15Å; E221-K252 HydrophobicContact CG-CB 4.19Å
222G98.3Very high91.8Very high12 Ų129 Ų912%0.1245%0.05CC..THydrogen-bonded Turntrans69.95.4-178.300000115.5D220 K252 D253D220-G222 PolarHBondContact O-N 2.96Å; G222-K252 PolarHBondContact N-O 2.75Å; G222-D253 WeakPolarHBondContact CA-O 3.3Å
223A98.3Very high90.1Very high1 Ų19.1 Ų9.11%0.0085%0.051CC..  trans-74.3154.1178.500000112.2V188 P189 I192 A219 D220 E221 A254 H255V188-A223 HydrophobicContact CB-CB 4.01Å; V188-A223 HydrophobicContact CG1-CB 3.72Å; P189-A223 WeakPolarHBondContact O-CB 3.17Å; I192-A223 CarbonylContact O-C 3.59Å; I192-A223 WeakPolarHBondContact O-CA 3.26Å; A219-A223 HydrophobicContact CB-CB 4.1Å; D220-A223 WeakPolarHBondContact O-CB 3.49Å; D220-A223 PolarHBondContact O-N 2.89Å; E221-A223 PolarHBondContact O-N 2.62Å; A223-A254 CarbonylContact O-C 3.57Å; A223-A254 WeakPolarHBondContact O-CA 3.47Å; A223-A254 WeakPolarHBondContact O-CB 3.48Å; A223-H255 PolarHBondContact O-N 2.85Å
224S97.4Very high88.1Confident23 Ų239.2 Ų9.216%0.1615%0.051CC..EExtended strand (participates in β ladder)trans-137.8127.7176.4-171.90000111.2I192 L194 H255I192-S224 PolarHBondContact O-N 3.3Å; L194-S224 WeakPolarHBondContact CD1-O 3.44Å; L194-S224 PolarHBondContact N-O 3.11Å; S224-H255 VanDerWaalsContact CA-O 3.28Å; S224-H255 WeakPolarHBondContact CA-O 3.11Å
225V96.2Very high86.1Confident2 Ų213.1 Ų13.11%0.0128%0.075CC..EExtended strand (participates in β ladder)trans-143.2138.4176.657.50000112.2V188 L194 L198 I217 A219 H255 V256 R257V188-V225 HydrophobicContact CG2-CB 3.94Å; V188-V225 HydrophobicContact CG2-CG1 4.05Å; V188-V225 HydrophobicContact CG2-CG2 4.34Å; L194-V225 HydrophobicContact CD1-CB 4.47Å; L194-V225 HydrophobicContact CD2-CG2 4.32Å; L198-V225 HydrophobicContact CD1-CG2 4.1Å; I217-V225 HydrophobicContact CG2-CG1 4.22Å; A219-V225 HydrophobicContact CB-CG1 4.43Å; V225-H255 PolarHBondContact N-O 2.82Å; V225-V256 HydrophobicContact CG1-CB 4.47Å; V225-V256 HydrophobicContact CG1-CG1 4.26Å; V225-V256 HydrophobicContact CG1-CG2 3.87Å; V225-V256 WeakPolarHBondContact O-CA 3.43Å; V225-R257 PolarHBondContact O-N 2.9Å
226H94.5Very high84.2Confident33 Ų3315.2 Ų15.215%0.1538%0.084CC..EExtended strand (participates in β ladder)trans-109.1121.6165.8-176-173.8000108.2P197 L198 R257 T259P197-H226 CarbonylContact C-O 3.53Å; P197-H226 WeakPolarHBondContact CA-O 3.29Å; P197-H226 HydrophobicContact CB-CB 4.12Å; L198-H226 PolarHBondContact N-O 3.12Å; H226-R257 CarbonylContact C-O 3.57Å; H226-R257 WeakPolarHBondContact CA-O 3.26Å; H226-R257 HydrophobicContact CB-CB 4.26Å; H226-R257 PolarHBondContact CD2-O 2.92Å; H226-T259 PolarHBondContact NE2-OG1 3.37Å
227Y93.4Very high82.1Confident0 Ų021.5 Ų21.50%012%0.122CC..EExtended strand (participates in β ladder)trans-114.7133.4174.8178.5-102.2000110.3F143 S184 I186 L198 A200 T215 I217 E229 R257 Y258 T259F143-Y227 HydrophobicContact CE2-CE2 4.25Å; F143-Y227 HydrophobicContact CZ-CE2 4.47Å; S184-Y227 VanDerWaalsContact CB-OH 3.26Å; S184-Y227 WeakPolarHBondContact CB-OH 3.12Å; S184-Y227 PolarHBondContact OG-OH 2.84Å; I186-Y227 HydrophobicContact CD1-CD2 3.24Å; I186-Y227 HydrophobicContact CD1-CE2 3.53Å; I186-Y227 HydrophobicContact CD1-CG 3.95Å; L198-Y227 HydrophobicContact CB-CD2 4.03Å; L198-Y227 CarbonylContact O-C 3.52Å; L198-Y227 WeakPolarHBondContact O-CA 3.09Å; A200-Y227 HydrophobicContact CB-CE2 3.92Å; A200-Y227 WeakPolarHBondContact CB-OH 3.23Å; T215-Y227 HydrophobicContact CG2-CE1 4.18Å; I217-Y227 HydrophobicContact CD1-CD1 3.87Å; I217-Y227 HydrophobicContact CD1-CE1 4.44Å; I217-Y227 HydrophobicContact CD1-CG 3.88Å; Y227-E229 HydrophobicContact CE1-CB 4.15Å; Y227-R257 PolarHBondContact N-O 2.76Å; Y227-Y258 AromaticContact CD1-CD2 3.65Å; Y227-Y258 HydrophobicContact CD1-CD2 3.65Å; Y227-Y258 HydrophobicContact CD1-CE1 4.21Å; Y227-Y258 AromaticContact CD1-CE2 3.32Å; Y227-Y258 HydrophobicContact CD1-CE2 3.32Å; Y227-Y258 HydrophobicContact CD1-CG 4.3Å; Y227-Y258 AromaticContact CD1-CZ 3.63Å; Y227-Y258 HydrophobicContact CE1-CD2 4.36Å; Y227-Y258 HydrophobicContact CE1-CE1 4.34Å; Y227-Y258 AromaticContact CE1-CE2 3.58Å; Y227-Y258 HydrophobicContact CE1-CE2 3.58Å; Y227-Y258 AromaticContact CE1-CZ 3.56Å; Y227-Y258 HydrophobicContact CG-CE2 4.46Å; Y227-Y258 WeakPolarHBondContact O-CA 3.32Å; Y227-T259 PolarHBondContact O-N 3.03Å
228V89.6Confident80.3Confident0 Ų023.5 Ų23.50%013%0.134CC..EExtended strand (participates in β ladder)trans-117.8126179.4-171.90000109.9P197 L198 Q199 A200 T259 P445 Y448P197-V228 HydrophobicContact CB-CG2 3.96Å; L198-V228 PolarHBondContact O-N 3.32Å; Q199-V228 CarbonylContact C-O 3.5Å; Q199-V228 VanDerWaalsContact CA-O 3.3Å; Q199-V228 WeakPolarHBondContact CA-O 3.28Å; A200-V228 PolarHBondContact N-O 3.1Å; V228-T259 CarbonylContact C-O 3.53Å; V228-T259 WeakPolarHBondContact CA-O 3.4Å; V228-T259 HydrophobicContact CG1-CG2 4.25Å; V228-P445 HydrophobicContact CG2-CG 4.46Å; V228-Y448 HydrophobicContact CB-CE2 4.41Å; V228-Y448 HydrophobicContact CG1-CD2 4.23Å; V228-Y448 HydrophobicContact CG1-CE1 4.15Å; V228-Y448 HydrophobicContact CG1-CE2 3.6Å
229E86.8Confident78.9Confident3 Ų325.2 Ų25.21%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-111.1119.2176.6173.2-172.593.400109A200 F202 Y227 Y258 T259 T260 I261 K274A200-E229 WeakPolarHBondContact O-CA 3.32Å; F202-E229 HydrophobicContact CD2-CG 3.81Å; F202-E229 HydrophobicContact CE2-CG 3.8Å; Y227-E229 HydrophobicContact CE1-CB 4.15Å; E229-Y258 HydrophobicContact CB-CE1 3.95Å; E229-Y258 PolarHBondContact OE2-OH 3.23Å; E229-T259 PolarHBondContact N-O 3.5Å; E229-T260 CarbonylContact O-C 3.6Å; E229-T260 WeakPolarHBondContact O-CA 2.76Å; E229-T260 WeakPolarHBondContact OE1-CG2 3.4Å; E229-T260 PolarHBondContact OE1-OG1 2.79Å; E229-I261 PolarHBondContact O-N 3.37Å; E229-K274 IonicContact OE1-NZ 3.29Å; E229-K274 PolarHBondContact OE1-NZ 2.85Å; E229-K274 IonicContact OE2-NZ 3.86Å; E229-K274 PolarHBondContact OE2-NZ 2.98Å
230G75.8Confident78.2Confident3 Ų325.3 Ų25.33%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-108.2134.2169.700000110.9A200 Y201 F202A200-G230 PolarHBondContact O-N 2.68Å; Y201-G230 CarbonylContact C-O 3.55Å; Y201-G230 WeakPolarHBondContact CA-O 2.98Å; F202-G230 PolarHBondContact N-O 3.08Å
231C68.6Low77.8Confident2 Ų224.4 Ų24.41%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-127.1129.2177.1-53.90000111.7F202 I261 Q262 N263 W264F202-C231 WeakPolarHBondContact O-CA 3.41Å; C231-I261 PolarHBondContact N-O 3Å; C231-I261 VanDerWaalsContact N-O 3.09Å; C231-Q262 HydrophobicContact CB-CB 4.21Å; C231-N263 PolarHBondContact O-N 2.97Å; C231-W264 HydrophobicContact CB-CD2 4.48Å; C231-W264 HydrophobicContact CB-CH2 3.71Å; C231-W264 HydrophobicContact CB-CZ2 3.38Å; C231-W264 HydrophobicContact CB-CZ3 4.38Å
232T61.2Low77.5Confident5 Ų520.6 Ų20.63%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-137.6157.6169.756.40000113Y201 F202 R203 I204 W264Y201-T232 VanDerWaalsContact CE1-OG1 3.31Å; Y201-T232 WeakPolarHBondContact CE1-OG1 3.47Å; Y201-T232 WeakPolarHBondContact OH-CB 3.38Å; Y201-T232 WeakPolarHBondContact OH-CG2 3.32Å; Y201-T232 PolarHBondContact OH-OG1 2.84Å; F202-T232 PolarHBondContact O-N 3.11Å; F202-T232 VanDerWaalsContact O-N 3.1Å; R203-T232 WeakPolarHBondContact CA-O 3.26Å; I204-T232 PolarHBondContact N-O 2.79Å; T232-W264 WeakPolarHBondContact O-CZ3 3.25Å
233A55.7Low77.3Confident2 Ų220 Ų202%0.01712%0.119CC..  trans-145.6148.8173.400000112.6Y11 I204 W264Y11-A233 WeakPolarHBondContact CE1-O 3.38Å; I204-A233 HydrophobicContact CB-CB 4.08Å; A233-W264 HydrophobicContact CB-CE3 3.59Å; A233-W264 HydrophobicContact CB-CZ3 3.86Å
234P52.2Low77.2Confident1 Ų120 Ų201%0.00612%0.118CC..  trans-60.8160.5166.1-1223.8000112.1G14 F15 H16 I204 N205 Y236 A265G14-P234 WeakPolarHBondContact O-CA 3.17Å; F15-P234 WeakPolarHBondContact O-CB 3.47Å; F15-P234 WeakPolarHBondContact O-CG 3.36Å; H16-P234 HydrophobicContact CB-CB 3.91Å; H16-P234 HydrophobicContact CB-CG 4.03Å; I204-P234 WeakPolarHBondContact O-CD 3.38Å; N205-P234 HydrophobicContact CB-CG 4.44Å; N205-P234 WeakPolarHBondContact OD1-CG 3.46Å; P234-Y236 HydrophobicContact CB-CD2 4.21Å; P234-Y236 HydrophobicContact CB-CE2 3.71Å; P234-Y236 HydrophobicContact CG-CE2 3.83Å; P234-A265 VanDerWaalsContact O-CB 3.26Å; P234-A265 WeakPolarHBondContact O-CB 3.25Å
235V53.8Low77.2Confident85 Ų8519 Ų1952%0.51511%0.111SC..  trans-85.3117.3172.6-173.60000109.4Y11 G14 A265Y11-V235 HydrophobicContact CD1-CG2 3.77Å; Y11-V235 HydrophobicContact CG-CG2 4.42Å; G14-V235 PolarHBondContact O-N 3.43Å; V235-A265 HydrophobicContact CG2-CB 4.28Å
236Y56.4Low77.3Confident43 Ų4318.9 Ų18.917%0.16911%0.111CC..  trans-117.4165171.7-72.7-70.7000111.7H16 N205 E207 P234 N267H16-Y236 HydrophobicContact CB-CE1 4.46Å; H16-Y236 WeakPolarHBondContact CB-OH 3.24Å; H16-Y236 AromaticContact CD2-CE1 3.78Å; N205-Y236 WeakPolarHBondContact O-CE2 3.43Å; N205-Y236 PolarHBondContact O-OH 3.4Å; E207-Y236 HydrophobicContact CB-CD1 3.79Å; E207-Y236 HydrophobicContact CB-CD2 4.46Å; E207-Y236 HydrophobicContact CB-CE1 4.06Å; E207-Y236 HydrophobicContact CB-CG 4.01Å; E207-Y236 HydrophobicContact CG-CD1 4.03Å; E207-Y236 HydrophobicContact CG-CG 4.11Å; P234-Y236 HydrophobicContact CB-CD2 4.21Å; P234-Y236 HydrophobicContact CB-CE2 3.71Å; P234-Y236 HydrophobicContact CG-CE2 3.83Å; Y236-N267 PolarHBondContact O-ND2 3Å
237T54.5Low77.5Confident134 Ų13417.3 Ų17.382%0.82210%0.103SC*.SBendtrans-82.2-30.9179.963.10000113.3E207E207-T237 PolarHBondContact OE1-OG1 2.7Å
238T59.5Low77.8Confident42 Ų4217.3 Ų17.326%0.25810%0.103SC..SBendtrans-92.6157.5-179.968.20000112.2E207 N208 N267E207-T238 HydrophobicContact CG-CG2 4.31Å; E207-T238 WeakPolarHBondContact CG-OG1 3.34Å; N208-T238 VanDerWaalsContact CG-OG1 3.23Å; N208-T238 WeakPolarHBondContact OD1-CB 3.35Å; N208-T238 PolarHBondContact OD1-OG1 3.26Å; T238-N267 PolarHBondContact O-ND2 2.99Å
239S70Confident78.2Confident36 Ų3617.5 Ų17.525%0.25210%0.104SC..  trans-73.8135.5179.9-68.30000112.6N267S239-N267 VanDerWaalsContact CA-O 3.27Å; S239-N267 WeakPolarHBondContact CA-O 3.2Å; S239-N267 PolarHBondContact OG-O 3.11Å
240S83.4Confident78.8Confident3 Ų317.3 Ų17.32%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-110.5158.4170.6-63.80000110.2M209 N267 V268 Y269M209-S240 WeakPolarHBondContact O-CB 3.28Å; S240-N267 PolarHBondContact N-O 3.41Å; S240-V268 CarbonylContact O-C 3.48Å; S240-V268 WeakPolarHBondContact O-CA 3.36Å; S240-Y269 PolarHBondContact O-N 2.86Å
241L90.4Very high79.9Confident0 Ų018.8 Ų18.80%011%0.109CC..EExtended strand (participates in β ladder)trans-121.9120.1-178.9175.560.9000110.2L73 F75 I78 L175 M209 G210 Q211 F212 L271L73-L241 HydrophobicContact CD1-CB 4.27Å; L73-L241 HydrophobicContact CD1-CD1 4.48Å; L73-L241 HydrophobicContact CD1-CD2 4.35Å; L73-L241 HydrophobicContact CD2-CD1 4.34Å; L73-L241 HydrophobicContact CD2-CD2 4.32Å; F75-L241 HydrophobicContact CE1-CD2 4.17Å; I78-L241 HydrophobicContact CD1-CB 3.93Å; I78-L241 HydrophobicContact CD1-CD2 3.9Å; L175-L241 HydrophobicContact CD2-CD2 3.83Å; M209-L241 PolarHBondContact O-N 2.77Å; G210-L241 CarbonylContact C-O 3.46Å; G210-L241 WeakPolarHBondContact CA-O 3.17Å; Q211-L241 PolarHBondContact N-O 3.25Å; F212-L241 HydrophobicContact CE1-CD2 3.96Å; F212-L241 HydrophobicContact CE1-CG 4.35Å; F212-L241 HydrophobicContact CZ-CD2 4.09Å; L241-L271 HydrophobicContact CD1-CB 4.38Å; L241-L271 HydrophobicContact CD1-CD1 3.73Å; L241-L271 HydrophobicContact CD1-CG 4.01Å
242H92.2Very high81.3Confident3 Ų322.2 Ų22.21%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-104.1118.8164.8178.289.2000108.8I204 Q211 E213 A244 W264 V268 Y269 N270 L271I204-H242 HydrophobicContact CD1-CB 4.18Å; Q211-H242 PolarHBondContact OE1-ND1 3.37Å; E213-H242 VanDerWaalsContact CD-CE1 3.49Å; E213-H242 IonicContact OE1-CE1 2.77Å; E213-H242 PolarHBondContact OE1-CE1 3.08Å; E213-H242 IonicContact OE1-NE2 3.47Å; E213-H242 IonicContact OE2-CE1 3.91Å; E213-H242 PolarHBondContact OE2-CE1 3.02Å; H242-A244 VanDerWaalsContact NE2-CB 3.33Å; H242-A244 WeakPolarHBondContact NE2-CB 3.39Å; H242-W264 HydrophobicContact CB-CH2 4.43Å; H242-W264 HydrophobicContact CB-CZ2 3.93Å; H242-W264 AromaticContact CD2-CZ2 3.91Å; H242-W264 AromaticContact CE1-CZ2 3.65Å; H242-W264 AromaticContact CG-CE2 3.97Å; H242-W264 AromaticContact CG-CZ2 3.42Å; H242-W264 VanDerWaalsContact CG-CZ2 3.42Å; H242-W264 AromaticContact ND1-CH2 3.62Å; H242-W264 AromaticContact ND1-CZ2 3.26Å; H242-W264 VanDerWaalsContact ND1-CZ2 3.26Å; H242-W264 WeakPolarHBondContact ND1-CZ2 3.38Å; H242-V268 HydrophobicContact CB-CG1 4.17Å; H242-Y269 PolarHBondContact N-O 2.83Å; H242-N270 PolarHBondContact CD2-OD1 3.48Å; H242-N270 WeakPolarHBondContact O-CA 3.18Å; H242-L271 PolarHBondContact O-N 3.21Å
243S94.3Very high83.1Confident0 Ų026.1 Ų26.10%015%0.145CC..  trans-134.973.2-178.4172.80000110.4F172 N176 Q211 L271F172-S243 PolarHBondContact O-OG 3.31Å; N176-S243 PolarHBondContact ND2-O 2.83Å; Q211-S243 PolarHBondContact O-N 2.8Å; S243-L271 WeakPolarHBondContact CA-O 3.33Å; S243-L271 PolarHBondContact OG-O 3.34Å
244A95Very high85.1Confident0 Ų026.1 Ų26.10%015%0.145CC..  trans-75.5151.8176.500000113.3E213 H242 V272 T273E213-A244 HydrophobicContact CG-CB 3.52Å; E213-A244 WeakPolarHBondContact O-CA 3.43Å; H242-A244 VanDerWaalsContact NE2-CB 3.33Å; H242-A244 WeakPolarHBondContact NE2-CB 3.39Å; A244-V272 HydrophobicContact CB-CG1 3.91Å; A244-V272 HydrophobicContact CB-CG2 4.15Å; A244-V272 WeakPolarHBondContact O-CA 3.47Å; A244-V272 WeakPolarHBondContact O-CG1 3.33Å; A244-T273 PolarHBondContact O-N 3.09Å
245V98Very high87.3Confident1 Ų128.8 Ų28.81%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-123127.3165.7173.10000109.5V165 A173 N176 E213 R214 T215 E247 T273V165-V245 HydrophobicContact CB-CG1 3.77Å; V165-V245 HydrophobicContact CG1-CG1 3.73Å; V165-V245 HydrophobicContact CG2-CG1 4.21Å; A173-V245 HydrophobicContact CB-CG2 4.42Å; N176-V245 HydrophobicContact CB-CG2 3.61Å; N176-V245 WeakPolarHBondContact OD1-CB 3.01Å; N176-V245 WeakPolarHBondContact OD1-CG2 3.41Å; E213-V245 PolarHBondContact O-N 3.11Å; E213-V245 VanDerWaalsContact O-N 3.14Å; R214-V245 CarbonylContact C-O 3.55Å; R214-V245 VanDerWaalsContact CA-O 3.29Å; R214-V245 WeakPolarHBondContact CA-O 3.3Å; R214-V245 HydrophobicContact CG-CB 4.22Å; R214-V245 HydrophobicContact CG-CG1 4.43Å; T215-V245 PolarHBondContact N-O 2.82Å; V245-E247 HydrophobicContact CG1-CG 4.2Å; V245-T273 WeakPolarHBondContact CA-O 3.26Å
246V98.1Very high89.5Confident0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-120.1122.3177.6-174.80000109.5T215 I248 Y258 T273 K274 R275 W286T215-V246 HydrophobicContact CG2-CG1 4.24Å; T215-V246 CarbonylContact O-C 3.48Å; T215-V246 WeakPolarHBondContact O-CA 3.5Å; V246-I248 HydrophobicContact CG1-CD1 4.22Å; V246-I248 HydrophobicContact CG1-CG1 3.98Å; V246-Y258 HydrophobicContact CG1-CD2 4.33Å; V246-Y258 HydrophobicContact CG1-CE2 3.56Å; V246-Y258 WeakPolarHBondContact CG2-OH 3.06Å; V246-T273 PolarHBondContact N-O 2.96Å; V246-K274 HydrophobicContact CB-CB 4Å; V246-K274 HydrophobicContact CB-CD 4.07Å; V246-K274 HydrophobicContact CB-CG 3.81Å; V246-K274 HydrophobicContact CG2-CD 3.75Å; V246-K274 HydrophobicContact CG2-CG 3.77Å; V246-K274 WeakPolarHBondContact O-CA 2.84Å; V246-R275 PolarHBondContact O-N 2.87Å; V246-W286 HydrophobicContact CG1-CH2 3.96Å; V246-W286 HydrophobicContact CG1-CZ3 4.43Å
247E98.6Very high91.4Very high0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-115.8121.7176.6-62.6-171.9-99.600109.4A162 S163 V164 V165 R214 T215 L216 I217 V245A162-E247 VanDerWaalsContact C-OE2 3.28Å; A162-E247 VanDerWaalsContact CA-OE1 3.31Å; A162-E247 WeakPolarHBondContact CA-OE1 3.26Å; A162-E247 WeakPolarHBondContact CA-OE2 3.06Å; A162-E247 PolarHBondContact N-OE1 2.73Å; A162-E247 PolarHBondContact N-OE2 2.68Å; S163-E247 PolarHBondContact N-OE2 2.82Å; S163-E247 VanDerWaalsContact N-OE2 3.15Å; V164-E247 WeakPolarHBondContact CA-OE2 3.26Å; V164-E247 HydrophobicContact CB-CB 4.13Å; V164-E247 HydrophobicContact CB-CG 4.12Å; V164-E247 HydrophobicContact CG2-CB 4.41Å; V164-E247 PolarHBondContact N-OE2 2.47Å; V165-E247 HydrophobicContact CB-CG 3.93Å; V165-E247 HydrophobicContact CG2-CG 3.97Å; V165-E247 PolarHBondContact N-OE2 2.81Å; R214-E247 IonicContact CZ-OE1 3.31Å; R214-E247 IonicContact NE-OE1 3.04Å; R214-E247 PolarHBondContact NE-OE1 2.87Å; R214-E247 IonicContact NH2-OE1 2.73Å; R214-E247 PolarHBondContact NH2-OE1 2.82Å; T215-E247 PolarHBondContact O-N 3.16Å; L216-E247 WeakPolarHBondContact CA-O 3.31Å; L216-E247 HydrophobicContact CD1-CB 3.83Å; I217-E247 PolarHBondContact N-O 3.23Å; V245-E247 HydrophobicContact CG1-CG 4.2Å
248I98.7Very high93.4Very high0 Ų018.5 Ų18.50%09%0.094CC..EExtended strand (participates in β ladder)trans-123135.5177.1-52.5-178000109.6I217 V246 V250 V256 Y258 R275 T276 F277 M284 W286I217-I248 HydrophobicContact CB-CG1 4.16Å; I217-I248 HydrophobicContact CB-CG2 4.26Å; I217-I248 HydrophobicContact CD1-CD1 4.36Å; I217-I248 HydrophobicContact CD1-CG1 4.48Å; I217-I248 HydrophobicContact CG1-CG1 4.48Å; I217-I248 HydrophobicContact CG2-CG2 4.47Å; I217-I248 CarbonylContact O-C 3.55Å; I217-I248 VanDerWaalsContact O-CA 3.32Å; I217-I248 WeakPolarHBondContact O-CA 3.39Å; V246-I248 HydrophobicContact CG1-CD1 4.22Å; V246-I248 HydrophobicContact CG1-CG1 3.98Å; I248-V250 HydrophobicContact CG2-CG2 3.92Å; I248-V256 HydrophobicContact CD1-CG1 4.3Å; I248-V256 HydrophobicContact CG2-CB 4.2Å; I248-V256 HydrophobicContact CG2-CG1 3.88Å; I248-V256 HydrophobicContact CG2-CG2 4.17Å; I248-Y258 HydrophobicContact CD1-CD2 3.5Å; I248-Y258 VanDerWaalsContact CD1-CD2 3.5Å; I248-Y258 HydrophobicContact CD1-CE2 4.17Å; I248-Y258 HydrophobicContact CD1-CG 4.18Å; I248-R275 PolarHBondContact N-O 3.22Å; I248-T276 HydrophobicContact CB-CG2 3.83Å; I248-T276 HydrophobicContact CG2-CG2 3.86Å; I248-T276 CarbonylContact O-C 3.57Å; I248-T276 WeakPolarHBondContact O-CA 3.39Å; I248-T276 WeakPolarHBondContact O-CG2 3.34Å; I248-F277 PolarHBondContact O-N 3.35Å; I248-M284 HydrophobicContact CD1-CE 3.7Å; I248-M284 HydrophobicContact CD1-SD 4.05Å; I248-M284 HydrophobicContact CG2-SD 4.06Å; I248-W286 HydrophobicContact CD1-CH2 3.33Å; I248-W286 HydrophobicContact CD1-CZ2 3.8Å; I248-W286 HydrophobicContact CD1-CZ3 3.92Å; I248-W286 HydrophobicContact CG1-CH2 4.08Å; I248-W286 HydrophobicContact CG1-CZ2 4.45Å
249I98.8Very high95Very high4 Ų416.5 Ų16.52%0.0218%0.081CC..EExtended strand (participates in β ladder)trans-121.6114.3173.9-59.789.7000108.2Y160 V164 L216 I217 I218 A219 Y279Y160-I249 HydrophobicContact CD1-CD1 4.3Å; Y160-I249 HydrophobicContact CD1-CG1 4.36Å; V164-I249 HydrophobicContact CG2-CD1 3.78Å; V164-I249 HydrophobicContact CG2-CG1 3.78Å; L216-I249 HydrophobicContact CD1-CD1 3.81Å; I217-I249 PolarHBondContact O-N 2.84Å; I218-I249 HydrophobicContact CG1-CD1 4.17Å; A219-I249 PolarHBondContact N-O 3.23Å; I249-Y279 HydrophobicContact CG2-CD2 4.33Å; I249-Y279 HydrophobicContact CG2-CE2 3.83Å
250V98.8Very high96Very high0 Ų014.8 Ų14.80%07%0.07CC..EExtended strand (participates in β ladder)trans-105.7102.2178.2-173.20000108.1I248 A254 V256 T276 F277 V278 Y279 M284I248-V250 HydrophobicContact CG2-CG2 3.92Å; V250-A254 HydrophobicContact CG1-CB 3.81Å; V250-A254 VanDerWaalsContact CG1-O 3.27Å; V250-A254 WeakPolarHBondContact CG1-O 3.41Å; V250-V256 HydrophobicContact CG2-CB 3.91Å; V250-V256 HydrophobicContact CG2-CG2 3.69Å; V250-T276 HydrophobicContact CG2-CG2 3.66Å; V250-F277 PolarHBondContact N-O 3.47Å; V250-V278 HydrophobicContact CB-CG1 4.21Å; V250-V278 HydrophobicContact CB-CG2 4.5Å; V250-V278 HydrophobicContact CG1-CG1 4.31Å; V250-Y279 WeakPolarHBondContact O-CD2 3.46Å; V250-Y279 PolarHBondContact O-N 2.88Å; V250-M284 HydrophobicContact CG2-CB 4.3Å; V250-M284 HydrophobicContact CG2-SD 4.23Å
251H98.8Very high96Very high33 Ų3315 Ų1515%0.1537%0.07CC..  trans-71.7-176.1178.8-74.5-72.4000112.1Y160 A219 E221 D253 A254 Y279Y160-H251 AromaticContact CE1-NE2 3.93Å; Y160-H251 AromaticContact CZ-NE2 3.97Å; Y160-H251 PolarHBondContact OH-NE2 3.42Å; A219-H251 VanDerWaalsContact O-CB 3.29Å; A219-H251 WeakPolarHBondContact O-CB 3.38Å; A219-H251 PolarHBondContact O-CD2 2.79Å; A219-H251 VanDerWaalsContact O-CD2 3.27Å; A219-H251 PolarHBondContact O-N 2.91Å; E221-H251 HydrophobicContact CG-CB 4.3Å; H251-D253 PolarHBondContact O-N 2.9Å; H251-A254 VanDerWaalsContact O-CB 3.29Å; H251-A254 WeakPolarHBondContact O-CB 3.16Å; H251-A254 PolarHBondContact O-N 3.18Å; H251-Y279 AromaticContact ND1-CD2 3.99Å
252K98.8Very high95.7Very high75 Ų7515.1 Ų15.133%0.3267%0.071SC..THydrogen-bonded Turntrans-58.1133.3-175167.5171.7-175.4153.30111.9E221 G222 A254 E280E221-K252 CarbonylContact C-O 3.57Å; E221-K252 WeakPolarHBondContact CA-O 3.15Å; E221-K252 HydrophobicContact CG-CB 4.19Å; G222-K252 PolarHBondContact N-O 2.75Å; K252-A254 PolarHBondContact O-N 2.61Å; K252-E280 CarbonylContact C-O 3.53Å; K252-E280 WeakPolarHBondContact CA-O 3.28Å; K252-E280 HydrophobicContact CB-CB 4.33Å; K252-E280 HydrophobicContact CD-CB 4.29Å; K252-E280 HydrophobicContact CG-CB 4.16Å; K252-E280 IonicContact NZ-OE1 3.03Å; K252-E280 PolarHBondContact NZ-OE1 3.32Å; K252-E280 IonicContact NZ-OE2 2.76Å; K252-E280 PolarHBondContact NZ-OE2 2.83Å
253D98.7Very high95.2Very high86 Ų8615.3 Ų15.346%0.467%0.072SC..THydrogen-bonded Turntrans57.211.9-179.6-54.9-54.1000114.5G222 H251 E280 N281G222-D253 WeakPolarHBondContact CA-O 3.3Å; H251-D253 PolarHBondContact O-N 2.9Å; D253-E280 PolarHBondContact N-O 2.87Å; D253-N281 WeakPolarHBondContact OD1-CB 3.38Å; D253-N281 PolarHBondContact OD1-ND2 2.97Å
254A98.7Very high94.6Very high2 Ų215.4 Ų15.42%0.0177%0.072CC..  trans-86.1159.6-179.900000112A219 D220 A223 V250 H251 K252 G282 N283A219-A254 HydrophobicContact CB-CB 4.03Å; D220-A254 VanDerWaalsContact O-CB 3.29Å; D220-A254 WeakPolarHBondContact O-CB 3.35Å; A223-A254 CarbonylContact O-C 3.57Å; A223-A254 WeakPolarHBondContact O-CA 3.47Å; A223-A254 WeakPolarHBondContact O-CB 3.48Å; V250-A254 HydrophobicContact CG1-CB 3.81Å; V250-A254 VanDerWaalsContact CG1-O 3.27Å; V250-A254 WeakPolarHBondContact CG1-O 3.41Å; H251-A254 VanDerWaalsContact O-CB 3.29Å; H251-A254 WeakPolarHBondContact O-CB 3.16Å; H251-A254 PolarHBondContact O-N 3.18Å; K252-A254 PolarHBondContact O-N 2.61Å; A254-G282 CarbonylContact O-C 3.54Å; A254-G282 VanDerWaalsContact O-CA 3.3Å; A254-G282 WeakPolarHBondContact O-CA 3.34Å; A254-N283 PolarHBondContact O-N 3Å
255H98.6Very high94Very high57 Ų5715.6 Ų15.626%0.2647%0.074SC..EExtended strand (participates in β ladder)trans-132.9127.4179.6178.6-146.9000110.8A223 S224 V225 N283 E285A223-H255 PolarHBondContact O-N 2.85Å; S224-H255 VanDerWaalsContact CA-O 3.28Å; S224-H255 WeakPolarHBondContact CA-O 3.11Å; V225-H255 PolarHBondContact N-O 2.82Å; H255-N283 WeakPolarHBondContact CA-O 3.29Å; H255-N283 HydrophobicContact CB-CB 4.49Å; H255-N283 PolarHBondContact CD2-ND2 2.83Å; H255-N283 PolarHBondContact CD2-O 2.65Å; H255-N283 PolarHBondContact NE2-ND2 3.49Å; H255-E285 IonicContact CD2-OE1 2.7Å; H255-E285 IonicContact CE1-OE1 3.39Å; H255-E285 PolarHBondContact CE1-OE1 2.85Å; H255-E285 IonicContact NE2-OE1 3.03Å; H255-E285 PolarHBondContact NE2-OE1 2.89Å
256V98.6Very high93.4Very high0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans-127.4127.3173.1179.80000109.4I217 A219 V225 I248 V250 N283 M284 E285I217-V256 HydrophobicContact CG2-CG1 4.43Å; A219-V256 HydrophobicContact CB-CG2 3.42Å; A219-V256 VanDerWaalsContact CB-CG2 3.42Å; V225-V256 HydrophobicContact CG1-CB 4.47Å; V225-V256 HydrophobicContact CG1-CG1 4.26Å; V225-V256 HydrophobicContact CG1-CG2 3.87Å; V225-V256 WeakPolarHBondContact O-CA 3.43Å; I248-V256 HydrophobicContact CD1-CG1 4.3Å; I248-V256 HydrophobicContact CG2-CB 4.2Å; I248-V256 HydrophobicContact CG2-CG1 3.88Å; I248-V256 HydrophobicContact CG2-CG2 4.17Å; V250-V256 HydrophobicContact CG2-CB 3.91Å; V250-V256 HydrophobicContact CG2-CG2 3.69Å; V256-N283 PolarHBondContact N-O 2.86Å; V256-M284 HydrophobicContact CB-SD 3.9Å; V256-M284 HydrophobicContact CG1-CE 4.37Å; V256-M284 HydrophobicContact CG1-SD 3.96Å; V256-M284 WeakPolarHBondContact O-CA 3.36Å; V256-E285 PolarHBondContact O-N 3.03Å
257R97.4Very high92.8Very high45 Ų4520.4 Ų20.417%0.1710%0.1CC..EExtended strand (participates in β ladder)trans-110.6127.1167.2-175.2177.9-165.8173.720.4109.2V225 H226 Y227 E285 E443V225-R257 PolarHBondContact O-N 2.9Å; H226-R257 CarbonylContact C-O 3.57Å; H226-R257 WeakPolarHBondContact CA-O 3.26Å; H226-R257 HydrophobicContact CB-CB 4.26Å; H226-R257 PolarHBondContact CD2-O 2.92Å; Y227-R257 PolarHBondContact N-O 2.76Å; R257-E285 WeakPolarHBondContact CA-O 3.43Å; R257-E285 HydrophobicContact CB-CB 4.46Å; R257-E285 HydrophobicContact CG-CB 4.26Å; R257-E443 VanDerWaalsContact CZ-O 3.27Å; R257-E443 IonicContact CZ-OE2 2.72Å; R257-E443 PolarHBondContact NH1-O 2.95Å; R257-E443 IonicContact NH1-OE2 2.66Å; R257-E443 VanDerWaalsContact NH2-CB 3.31Å; R257-E443 PolarHBondContact NH2-O 3.01Å; R257-E443 IonicContact NH2-OE2 2.75Å; R257-E443 PolarHBondContact NH2-OE2 3.49Å
258Y96.6Very high92.3Very high1 Ų120.5 Ų20.50%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-120.2116.6176.1-163.3-69.9000109.4T215 I217 Y227 E229 V246 I248 T260 E285 W286 V287T215-Y258 HydrophobicContact CG2-CE2 4.23Å; I217-Y258 HydrophobicContact CD1-CD2 3.72Å; I217-Y258 HydrophobicContact CD1-CE2 3.71Å; Y227-Y258 AromaticContact CD1-CD2 3.65Å; Y227-Y258 HydrophobicContact CD1-CD2 3.65Å; Y227-Y258 HydrophobicContact CD1-CE1 4.21Å; Y227-Y258 AromaticContact CD1-CE2 3.32Å; Y227-Y258 HydrophobicContact CD1-CE2 3.32Å; Y227-Y258 HydrophobicContact CD1-CG 4.3Å; Y227-Y258 AromaticContact CD1-CZ 3.63Å; Y227-Y258 HydrophobicContact CE1-CD2 4.36Å; Y227-Y258 HydrophobicContact CE1-CE1 4.34Å; Y227-Y258 AromaticContact CE1-CE2 3.58Å; Y227-Y258 HydrophobicContact CE1-CE2 3.58Å; Y227-Y258 AromaticContact CE1-CZ 3.56Å; Y227-Y258 HydrophobicContact CG-CE2 4.46Å; Y227-Y258 WeakPolarHBondContact O-CA 3.32Å; E229-Y258 HydrophobicContact CB-CE1 3.95Å; E229-Y258 PolarHBondContact OE2-OH 3.23Å; V246-Y258 HydrophobicContact CG1-CD2 4.33Å; V246-Y258 HydrophobicContact CG1-CE2 3.56Å; V246-Y258 WeakPolarHBondContact CG2-OH 3.06Å; I248-Y258 HydrophobicContact CD1-CD2 3.5Å; I248-Y258 VanDerWaalsContact CD1-CD2 3.5Å; I248-Y258 HydrophobicContact CD1-CE2 4.17Å; I248-Y258 HydrophobicContact CD1-CG 4.18Å; Y258-T260 VanDerWaalsContact CE1-OG1 3.25Å; Y258-T260 WeakPolarHBondContact CE1-OG1 3.14Å; Y258-E285 PolarHBondContact N-O 2.77Å; Y258-W286 AromaticContact CD1-CE3 3.9Å; Y258-W286 HydrophobicContact CD1-CE3 3.9Å; Y258-W286 AromaticContact CD1-CZ3 3.56Å; Y258-W286 HydrophobicContact CD1-CZ3 3.56Å; Y258-W286 HydrophobicContact CD2-CH2 4.38Å; Y258-W286 AromaticContact CD2-CZ3 3.82Å; Y258-W286 HydrophobicContact CD2-CZ3 3.82Å; Y258-W286 HydrophobicContact CE1-CZ3 4.13Å; Y258-W286 HydrophobicContact CE2-CZ3 4.3Å; Y258-W286 AromaticContact CG-CE3 3.81Å; Y258-W286 HydrophobicContact CG-CE3 3.81Å; Y258-W286 HydrophobicContact CG-CH2 4.31Å; Y258-W286 AromaticContact CG-CZ3 3.37Å; Y258-W286 HydrophobicContact CG-CZ3 3.37Å; Y258-V287 PolarHBondContact O-N 2.87Å
259T93Very high92.1Very high0 Ų020.5 Ų20.50%010%0.1CC..EExtended strand (participates in β ladder)trans-108.2124.5177.3-60.60000109.3H226 Y227 V228 E229 I261 V287 L444H226-T259 PolarHBondContact NE2-OG1 3.37Å; Y227-T259 PolarHBondContact O-N 3.03Å; V228-T259 CarbonylContact C-O 3.53Å; V228-T259 WeakPolarHBondContact CA-O 3.4Å; V228-T259 HydrophobicContact CG1-CG2 4.25Å; E229-T259 PolarHBondContact N-O 3.5Å; T259-I261 HydrophobicContact CG2-CG1 4.46Å; T259-V287 CarbonylContact C-O 3.56Å; T259-V287 VanDerWaalsContact CA-O 3.25Å; T259-V287 WeakPolarHBondContact CA-O 3.32Å; T259-V287 HydrophobicContact CG2-CB 4.23Å; T259-V287 HydrophobicContact CG2-CG1 4.17Å; T259-L444 HydrophobicContact CG2-CD2 3.49Å; T259-L444 VanDerWaalsContact CG2-CD2 3.49Å
260T90.7Very high91.9Very high1 Ų120.3 Ų20.31%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-113.4133.2169.2-68.20000109.3E229 Y258 Q262 K274 V287 G289E229-T260 CarbonylContact O-C 3.6Å; E229-T260 WeakPolarHBondContact O-CA 2.76Å; E229-T260 WeakPolarHBondContact OE1-CG2 3.4Å; E229-T260 PolarHBondContact OE1-OG1 2.79Å; Y258-T260 VanDerWaalsContact CE1-OG1 3.25Å; Y258-T260 WeakPolarHBondContact CE1-OG1 3.14Å; T260-Q262 HydrophobicContact CG2-CB 4.21Å; T260-K274 PolarHBondContact OG1-NZ 2.66Å; T260-V287 PolarHBondContact N-O 3.46Å; T260-G289 PolarHBondContact O-N 2.8Å
261I83.9Confident91.7Very high7 Ų720.5 Ų20.54%0.03610%0.1CC..EExtended strand (participates in β ladder)trans-124.8102.3164.3-61.1158.6000106.9E229 C231 T259 L444 Y448E229-I261 PolarHBondContact O-N 3.37Å; C231-I261 PolarHBondContact N-O 3Å; C231-I261 VanDerWaalsContact N-O 3.09Å; T259-I261 HydrophobicContact CG2-CG1 4.46Å; I261-L444 HydrophobicContact CD1-CD1 3.86Å; I261-L444 HydrophobicContact CD1-CD2 3.92Å; I261-L444 HydrophobicContact CD1-CG 4.44Å; I261-L444 HydrophobicContact CG1-CD1 4.39Å; I261-L444 HydrophobicContact CG1-CD2 4.22Å; I261-Y448 VanDerWaalsContact CD1-CB 3.47Å; I261-Y448 HydrophobicContact CD1-CD1 3.27Å; I261-Y448 HydrophobicContact CD1-CE1 4.11Å; I261-Y448 HydrophobicContact CD1-CG 3.55Å
262Q83.9Confident91.6Very high3 Ų319.3 Ų19.31%0.01410%0.095CC..EExtended strand (participates in β ladder)trans-99.7137.4177.785.9-163.1900109.8C231 T260 N270 G289 N290 L291 T296C231-Q262 HydrophobicContact CB-CB 4.21Å; T260-Q262 HydrophobicContact CG2-CB 4.21Å; Q262-N270 PolarHBondContact NE2-ND2 2.83Å; Q262-N270 VanDerWaalsContact NE2-ND2 3.11Å; Q262-N270 PolarHBondContact OE1-ND2 2.82Å; Q262-G289 WeakPolarHBondContact CG-O 3.22Å; Q262-G289 PolarHBondContact N-O 2.88Å; Q262-G289 VanDerWaalsContact N-O 3.11Å; Q262-N290 PolarHBondContact NE2-OD1 2.77Å; Q262-L291 WeakPolarHBondContact O-CB 3.03Å; Q262-L291 PolarHBondContact O-N 3.41Å; Q262-L291 VanDerWaalsContact O-N 3.14Å; Q262-T296 PolarHBondContact NE2-OG1 2.83Å
263N81.1Confident91.5Very high6 Ų616.6 Ų16.63%0.0329%0.085CC..EExtended strand (participates in β ladder)trans-14188.3167-173.614.9000110Y11 C231 L291 L455Y11-N263 WeakPolarHBondContact CE2-ND2 3.44Å; Y11-N263 PolarHBondContact OH-ND2 2.88Å; Y11-N263 PolarHBondContact OH-O 2.84Å; C231-N263 PolarHBondContact O-N 2.97Å; N263-L291 WeakPolarHBondContact CA-O 3.47Å; N263-L455 HydrophobicContact CB-CD1 4.03Å; N263-L455 WeakPolarHBondContact ND2-CD2 3.24Å
264W82.3Confident91.5Very high2 Ų212.7 Ų12.71%0.0086%0.064CC..EExtended strand (participates in β ladder)trans-89.6152.2-178.8-65.7118000111.9I204 Q211 C231 T232 A233 H242 V268 L291 G292 S293I204-W264 HydrophobicContact CB-CZ3 4.19Å; I204-W264 HydrophobicContact CD1-CE3 4.23Å; I204-W264 HydrophobicContact CD1-CH2 3.83Å; I204-W264 HydrophobicContact CD1-CZ3 3.56Å; I204-W264 HydrophobicContact CG1-CH2 4.01Å; I204-W264 HydrophobicContact CG1-CZ3 3.71Å; Q211-W264 VanDerWaalsContact OE1-CH2 3.31Å; C231-W264 HydrophobicContact CB-CD2 4.48Å; C231-W264 HydrophobicContact CB-CH2 3.71Å; C231-W264 HydrophobicContact CB-CZ2 3.38Å; C231-W264 HydrophobicContact CB-CZ3 4.38Å; T232-W264 WeakPolarHBondContact O-CZ3 3.25Å; A233-W264 HydrophobicContact CB-CE3 3.59Å; A233-W264 HydrophobicContact CB-CZ3 3.86Å; H242-W264 HydrophobicContact CB-CH2 4.43Å; H242-W264 HydrophobicContact CB-CZ2 3.93Å; H242-W264 AromaticContact CD2-CZ2 3.91Å; H242-W264 AromaticContact CE1-CZ2 3.65Å; H242-W264 AromaticContact CG-CE2 3.97Å; H242-W264 AromaticContact CG-CZ2 3.42Å; H242-W264 VanDerWaalsContact CG-CZ2 3.42Å; H242-W264 AromaticContact ND1-CH2 3.62Å; H242-W264 AromaticContact ND1-CZ2 3.26Å; H242-W264 VanDerWaalsContact ND1-CZ2 3.26Å; H242-W264 WeakPolarHBondContact ND1-CZ2 3.38Å; W264-V268 HydrophobicContact CB-CB 3.88Å; W264-V268 HydrophobicContact CB-CG1 4.11Å; W264-V268 HydrophobicContact CB-CG2 4.11Å; W264-V268 HydrophobicContact CD2-CG1 4.12Å; W264-V268 HydrophobicContact CE3-CG1 4.4Å; W264-V268 HydrophobicContact CE3-CG2 4.48Å; W264-V268 HydrophobicContact CG-CB 4.34Å; W264-V268 HydrophobicContact CG-CG1 4.01Å; W264-L291 PolarHBondContact N-O 2.8Å; W264-G292 CarbonylContact O-C 3.04Å; W264-G292 WeakPolarHBondContact O-CA 3.08Å; W264-S293 PolarHBondContact O-N 3.46Å
265A81.7Confident91.5Very high4 Ų414.6 Ų14.63%0.0337%0.071CC..  trans-62.3154.5167.700000112P234 V235 N267 V268 S293P234-A265 VanDerWaalsContact O-CB 3.26Å; P234-A265 WeakPolarHBondContact O-CB 3.25Å; V235-A265 HydrophobicContact CG2-CB 4.28Å; A265-N267 WeakPolarHBondContact CB-OD1 3.42Å; A265-N267 PolarHBondContact O-N 2.83Å; A265-V268 HydrophobicContact CB-CG2 4.38Å; A265-V268 WeakPolarHBondContact O-CB 3.22Å; A265-V268 WeakPolarHBondContact O-CG2 2.95Å; A265-V268 PolarHBondContact O-N 3.08Å; A265-S293 WeakPolarHBondContact O-CA 3.4Å; A265-S293 PolarHBondContact O-N 3.09Å
266N85.5Confident91.5Very high87 Ų8711.9 Ų11.947%0.4656%0.058SC..THydrogen-bonded Turntrans-69-2.7-171.3-67-2.6000114.8K294 Q323N266-K294 VanDerWaalsContact O-CA 3.29Å; N266-K294 WeakPolarHBondContact O-CA 3.42Å; N266-K294 WeakPolarHBondContact O-CB 3.27Å; N266-K294 PolarHBondContact O-N 2.77Å; N266-Q323 PolarHBondContact OD1-NE2 2.83Å
267N85.3Confident91.5Very high16 Ų1614 Ų149%0.0867%0.068CC..THydrogen-bonded Turntrans-95.9-6.417561-39.4000113Y236 T238 S239 S240 A265Y236-N267 PolarHBondContact O-ND2 3Å; T238-N267 PolarHBondContact O-ND2 2.99Å; S239-N267 VanDerWaalsContact CA-O 3.27Å; S239-N267 WeakPolarHBondContact CA-O 3.2Å; S239-N267 PolarHBondContact OG-O 3.11Å; S240-N267 PolarHBondContact N-O 3.41Å; A265-N267 WeakPolarHBondContact CB-OD1 3.42Å; A265-N267 PolarHBondContact O-N 2.83Å
268V88.5Confident91.6Very high1 Ų111.9 Ų11.91%0.0066%0.059CC..EExtended strand (participates in β ladder)trans-87130.8-174.5-179.50000111.8S240 H242 W264 A265 S293 K294S240-V268 CarbonylContact O-C 3.48Å; S240-V268 WeakPolarHBondContact O-CA 3.36Å; H242-V268 HydrophobicContact CB-CG1 4.17Å; W264-V268 HydrophobicContact CB-CB 3.88Å; W264-V268 HydrophobicContact CB-CG1 4.11Å; W264-V268 HydrophobicContact CB-CG2 4.11Å; W264-V268 HydrophobicContact CD2-CG1 4.12Å; W264-V268 HydrophobicContact CE3-CG1 4.4Å; W264-V268 HydrophobicContact CE3-CG2 4.48Å; W264-V268 HydrophobicContact CG-CB 4.34Å; W264-V268 HydrophobicContact CG-CG1 4.01Å; A265-V268 HydrophobicContact CB-CG2 4.38Å; A265-V268 WeakPolarHBondContact O-CB 3.22Å; A265-V268 WeakPolarHBondContact O-CG2 2.95Å; A265-V268 PolarHBondContact O-N 3.08Å; V268-S293 CarbonylContact O-C 3.56Å; V268-S293 WeakPolarHBondContact O-CB 3.4Å; V268-K294 PolarHBondContact O-N 2.85Å
269Y93.4Very high91.7Very high0 Ų016 Ų160%08%0.076CC..EExtended strand (participates in β ladder)trans-86122.9163-73.1-84.4000109.6D69 L70 L73 S240 H242 K294 L295D69-Y269 WeakPolarHBondContact O-CE1 3.43Å; L70-Y269 HydrophobicContact CD2-CD1 3.82Å; L70-Y269 HydrophobicContact CD2-CE1 4Å; L73-Y269 HydrophobicContact CD1-CD2 3.98Å; L73-Y269 HydrophobicContact CD1-CE2 4.46Å; L73-Y269 HydrophobicContact CD1-CG 4.41Å; S240-Y269 PolarHBondContact O-N 2.86Å; H242-Y269 PolarHBondContact N-O 2.83Å; Y269-K294 HydrophobicContact CE1-CD 4.38Å; Y269-K294 HydrophobicContact CE2-CD 4.07Å; Y269-K294 PolarHBondContact OH-NZ 2.84Å; Y269-L295 HydrophobicContact CD1-CB 3.86Å; Y269-L295 HydrophobicContact CD1-CD2 4.08Å; Y269-L295 HydrophobicContact CD1-CG 4.43Å; Y269-L295 HydrophobicContact CE1-CB 4.03Å; Y269-L295 HydrophobicContact CE1-CD2 4.08Å
270N94.7Very high92Very high1 Ų119.9 Ų19.91%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-113.992.3-177.4-179.838.3000110H242 Q262 V272 L295 T296 M297H242-N270 PolarHBondContact CD2-OD1 3.48Å; H242-N270 WeakPolarHBondContact O-CA 3.18Å; Q262-N270 PolarHBondContact NE2-ND2 2.83Å; Q262-N270 VanDerWaalsContact NE2-ND2 3.11Å; Q262-N270 PolarHBondContact OE1-ND2 2.82Å; N270-V272 WeakPolarHBondContact OD1-CG2 3.27Å; N270-L295 PolarHBondContact N-O 2.97Å; N270-T296 WeakPolarHBondContact CB-OG1 3.26Å; N270-T296 WeakPolarHBondContact ND2-CG2 3.43Å; N270-T296 PolarHBondContact ND2-OG1 3.47Å; N270-T296 VanDerWaalsContact ND2-OG1 3.09Å; N270-T296 CarbonylContact O-C 3.59Å; N270-T296 WeakPolarHBondContact O-CA 3.26Å; N270-M297 PolarHBondContact O-N 2.82Å
271L95.9Very high92.3Very high4 Ų423.3 Ų23.32%0.02111%0.112CC..EExtended strand (participates in β ladder)trans-117.782.1-167.2-52.7-179.4000110L70 L73 F172 L241 H242 S243 M297L70-L271 HydrophobicContact CD2-CD1 3.74Å; L70-L271 HydrophobicContact CD2-CD2 4.13Å; L73-L271 HydrophobicContact CD2-CD1 4.18Å; F172-L271 HydrophobicContact CD1-CB 4.32Å; F172-L271 HydrophobicContact CD1-CD1 3.87Å; F172-L271 HydrophobicContact CD2-CB 4.11Å; F172-L271 HydrophobicContact CD2-CD1 4.18Å; F172-L271 HydrophobicContact CE1-CD1 3.4Å; F172-L271 VanDerWaalsContact CE1-CD1 3.4Å; F172-L271 HydrophobicContact CE2-CB 4.43Å; F172-L271 HydrophobicContact CE2-CD1 3.74Å; F172-L271 HydrophobicContact CG-CB 4.05Å; F172-L271 HydrophobicContact CG-CD1 4.25Å; F172-L271 HydrophobicContact CZ-CD1 3.35Å; L241-L271 HydrophobicContact CD1-CB 4.38Å; L241-L271 HydrophobicContact CD1-CD1 3.73Å; L241-L271 HydrophobicContact CD1-CG 4.01Å; H242-L271 PolarHBondContact O-N 3.21Å; S243-L271 WeakPolarHBondContact CA-O 3.33Å; S243-L271 PolarHBondContact OG-O 3.34Å; L271-M297 HydrophobicContact CD2-CB 3.9Å; L271-M297 HydrophobicContact CD2-CG 3.96Å; L271-M297 HydrophobicContact CD2-SD 4Å
272V95.7Very high93.1Very high7 Ų723 Ų234%0.04211%0.11CC..EExtended strand (participates in β ladder)trans-111.3140.1-162.9-1800000111.7A244 N270 K274 M297 K298A244-V272 HydrophobicContact CB-CG1 3.91Å; A244-V272 HydrophobicContact CB-CG2 4.15Å; A244-V272 WeakPolarHBondContact O-CA 3.47Å; A244-V272 WeakPolarHBondContact O-CG1 3.33Å; N270-V272 WeakPolarHBondContact OD1-CG2 3.27Å; V272-K274 HydrophobicContact CG1-CD 4.21Å; V272-K274 HydrophobicContact CG1-CG 3.59Å; V272-M297 PolarHBondContact N-O 3Å; V272-K298 HydrophobicContact CB-CD 4.25Å; V272-K298 HydrophobicContact CB-CG 4.21Å; V272-K298 HydrophobicContact CG1-CD 4.41Å
273T97.9Very high93.8Very high19 Ų1924.7 Ų24.712%0.11712%0.119CC..EExtended strand (participates in β ladder)trans-114.2104.3173-54.50000110.8V165 N170 A244 V245 V246V165-T273 HydrophobicContact CG1-CG2 3.6Å; V165-T273 HydrophobicContact CG2-CG2 4.06Å; N170-T273 PolarHBondContact ND2-OG1 2.72Å; A244-T273 PolarHBondContact O-N 3.09Å; V245-T273 WeakPolarHBondContact CA-O 3.26Å; V246-T273 PolarHBondContact N-O 2.96Å
274K98.1Very high94.6Very high4 Ų424.4 Ų24.42%0.01712%0.118CC..EExtended strand (participates in β ladder)trans-110.5129.1175.1-49.4-159.8177-163.60110.8E229 V246 T260 V272 W286 P300 N301E229-K274 IonicContact OE1-NZ 3.29Å; E229-K274 PolarHBondContact OE1-NZ 2.85Å; E229-K274 IonicContact OE2-NZ 3.86Å; E229-K274 PolarHBondContact OE2-NZ 2.98Å; V246-K274 HydrophobicContact CB-CB 4Å; V246-K274 HydrophobicContact CB-CD 4.07Å; V246-K274 HydrophobicContact CB-CG 3.81Å; V246-K274 HydrophobicContact CG2-CD 3.75Å; V246-K274 HydrophobicContact CG2-CG 3.77Å; V246-K274 WeakPolarHBondContact O-CA 2.84Å; T260-K274 PolarHBondContact OG1-NZ 2.66Å; V272-K274 HydrophobicContact CG1-CD 4.21Å; V272-K274 HydrophobicContact CG1-CG 3.59Å; K274-W286 HydrophobicContact CB-CH2 3.75Å; K274-W286 HydrophobicContact CB-CZ2 4.16Å; K274-W286 HydrophobicContact CB-CZ3 4.16Å; K274-W286 HydrophobicContact CD-CE3 4.49Å; K274-W286 HydrophobicContact CD-CH2 4.22Å; K274-W286 HydrophobicContact CD-CZ3 3.8Å; K274-P300 HydrophobicContact CB-CB 4.48Å; K274-N301 PolarHBondContact O-N 3.14Å
275R98.5Very high95.4Very high42 Ų4226.5 Ų26.516%0.15813%0.128CC..EExtended strand (participates in β ladder)trans-148.9144.5177.5-175.3-179.2-57158.81.6112.4V164 V165 D169 V246 I248 N301 V303V164-R275 HydrophobicContact CG1-CB 3.74Å; V164-R275 HydrophobicContact CG1-CG 3.49Å; V164-R275 VanDerWaalsContact CG1-CG 3.49Å; V164-R275 WeakPolarHBondContact CG1-O 3.27Å; V164-R275 WeakPolarHBondContact O-CD 3.23Å; V164-R275 PolarHBondContact O-NH1 3.41Å; V165-R275 HydrophobicContact CG2-CB 3.71Å; D169-R275 IonicContact OD1-NH2 3.64Å; D169-R275 PolarHBondContact OD1-NH2 3.45Å; D169-R275 VanDerWaalsContact OD1-NH2 3.12Å; D169-R275 IonicContact OD2-CZ 2.72Å; D169-R275 IonicContact OD2-NH1 2.91Å; D169-R275 PolarHBondContact OD2-NH1 2.98Å; D169-R275 IonicContact OD2-NH2 3.69Å; D169-R275 PolarHBondContact OD2-NH2 3.34Å; V246-R275 PolarHBondContact O-N 2.87Å; I248-R275 PolarHBondContact N-O 3.22Å; R275-N301 CarbonylContact C-O 3.59Å; R275-N301 WeakPolarHBondContact CA-O 3.48Å; R275-N301 HydrophobicContact CB-CB 4.15Å; R275-N301 HydrophobicContact CG-CB 3.94Å; R275-N301 PolarHBondContact NE-ND2 2.9Å; R275-V303 HydrophobicContact CG-CG2 4.24Å
276T98.8Very high96.1Very high0 Ų026.4 Ų26.40%013%0.127CC..EExtended strand (participates in β ladder)trans-121.6139.7177.7-51.80000111.5I248 V250 V278 M284 W286 N301 V303I248-T276 HydrophobicContact CB-CG2 3.83Å; I248-T276 HydrophobicContact CG2-CG2 3.86Å; I248-T276 CarbonylContact O-C 3.57Å; I248-T276 WeakPolarHBondContact O-CA 3.39Å; I248-T276 WeakPolarHBondContact O-CG2 3.34Å; V250-T276 HydrophobicContact CG2-CG2 3.66Å; T276-V278 HydrophobicContact CG2-CG2 3.66Å; T276-M284 HydrophobicContact CG2-CB 4.03Å; T276-M284 HydrophobicContact CG2-CG 3.7Å; T276-M284 HydrophobicContact CG2-SD 3.81Å; T276-W286 WeakPolarHBondContact OG1-CZ2 3.38Å; T276-N301 PolarHBondContact N-O 3.11Å; T276-V303 PolarHBondContact O-N 3.18Å
277F98.8Very high96.6Very high45 Ų4522.5 Ų22.520%0.19711%0.106CC..EExtended strand (participates in β ladder)trans-100.7125.4159.5-73.8-5.2000109.8S163 V164 I248 V250 Y279 V303 L305S163-F277 WeakPolarHBondContact O-CE2 3.32Å; V164-F277 HydrophobicContact CB-CE2 4.41Å; V164-F277 HydrophobicContact CB-CZ 4.45Å; V164-F277 HydrophobicContact CG1-CD1 3.82Å; V164-F277 HydrophobicContact CG1-CE1 3.88Å; V164-F277 HydrophobicContact CG1-CG 4.17Å; V164-F277 HydrophobicContact CG1-CZ 4.24Å; V164-F277 HydrophobicContact CG2-CB 4.48Å; V164-F277 HydrophobicContact CG2-CD1 4.48Å; V164-F277 HydrophobicContact CG2-CD2 3.8Å; V164-F277 HydrophobicContact CG2-CE2 4.09Å; V164-F277 HydrophobicContact CG2-CG 4.02Å; I248-F277 PolarHBondContact O-N 3.35Å; V250-F277 PolarHBondContact N-O 3.47Å; F277-Y279 HydrophobicContact CB-CE2 4.43Å; F277-V303 HydrophobicContact CD1-CB 3.72Å; F277-V303 HydrophobicContact CD1-CG1 4.4Å; F277-V303 HydrophobicContact CD1-CG2 3.94Å; F277-V303 HydrophobicContact CE1-CB 4.02Å; F277-V303 HydrophobicContact CE1-CG1 4.43Å; F277-V303 HydrophobicContact CE1-CG2 3.87Å; F277-L305 HydrophobicContact CB-CD1 3.86Å; F277-L305 HydrophobicContact CD1-CD1 4.11Å; F277-L305 HydrophobicContact CD2-CD1 3.94Å; F277-L305 HydrophobicContact CG-CD1 3.7Å
278V98.9Very high97Very high0 Ų021.9 Ų21.90%010%0.102CC..EExtended strand (participates in β ladder)trans-117.2119.1-177.5-1680000109.9V250 T276 G282 M284 V303 L304 L305 G306 A309V250-V278 HydrophobicContact CB-CG1 4.21Å; V250-V278 HydrophobicContact CB-CG2 4.5Å; V250-V278 HydrophobicContact CG1-CG1 4.31Å; T276-V278 HydrophobicContact CG2-CG2 3.66Å; V278-G282 WeakPolarHBondContact CG1-O 3.37Å; V278-M284 HydrophobicContact CG2-CB 3.69Å; V278-V303 PolarHBondContact N-O 3.16Å; V278-L304 HydrophobicContact CB-CD2 3.93Å; V278-L304 HydrophobicContact CG1-CD2 4.43Å; V278-L304 HydrophobicContact CG2-CD2 3.91Å; V278-L305 PolarHBondContact O-N 2.92Å; V278-G306 PolarHBondContact O-N 2.78Å; V278-G306 VanDerWaalsContact O-N 3.16Å; V278-A309 HydrophobicContact CB-CB 4.14Å; V278-A309 HydrophobicContact CG1-CB 3.77Å
279Y98.8Very high97.1Very high88 Ų8821.8 Ų21.835%0.34510%0.102SC..  trans-93-169.4-179.8-67.7-78.1000112.1I249 V250 H251 F277 N281 G282 L305 A309I249-Y279 HydrophobicContact CG2-CD2 4.33Å; I249-Y279 HydrophobicContact CG2-CE2 3.83Å; V250-Y279 WeakPolarHBondContact O-CD2 3.46Å; V250-Y279 PolarHBondContact O-N 2.88Å; H251-Y279 AromaticContact ND1-CD2 3.99Å; F277-Y279 HydrophobicContact CB-CE2 4.43Å; Y279-N281 PolarHBondContact O-N 3Å; Y279-G282 PolarHBondContact O-N 2.79Å; Y279-L305 HydrophobicContact CD1-CB 4.37Å; Y279-L305 HydrophobicContact CE1-CB 4.39Å; Y279-L305 HydrophobicContact CE1-CD1 4.16Å; Y279-A309 WeakPolarHBondContact O-CB 3.21Å
280E98.8Very high97.1Very high80 Ų8021.8 Ų21.837%0.37410%0.102SC..THydrogen-bonded Turntrans-52.9124-167.9-169.9-169.5152.900111.8K252 D253 G282 E307K252-E280 CarbonylContact C-O 3.53Å; K252-E280 WeakPolarHBondContact CA-O 3.28Å; K252-E280 HydrophobicContact CB-CB 4.33Å; K252-E280 HydrophobicContact CD-CB 4.29Å; K252-E280 HydrophobicContact CG-CB 4.16Å; K252-E280 IonicContact NZ-OE1 3.03Å; K252-E280 PolarHBondContact NZ-OE1 3.32Å; K252-E280 IonicContact NZ-OE2 2.76Å; K252-E280 PolarHBondContact NZ-OE2 2.83Å; D253-E280 PolarHBondContact N-O 2.87Å; E280-G282 PolarHBondContact O-N 3.05Å; E280-E307 CarbonylContact C-O 3.58Å; E280-E307 VanDerWaalsContact CA-O 3.28Å; E280-E307 WeakPolarHBondContact CA-O 3.42Å; E280-E307 WeakPolarHBondContact CG-O 3.29Å
281N98.7Very high96.8Very high73 Ų7321.8 Ų21.839%0.3910%0.102SC..THydrogen-bonded Turntrans53.78.6-175.1-52.3-39.8000116.2D253 Y279 E307D253-N281 WeakPolarHBondContact OD1-CB 3.38Å; D253-N281 PolarHBondContact OD1-ND2 2.97Å; Y279-N281 PolarHBondContact O-N 3Å; N281-E307 PolarHBondContact N-O 2.71Å
282G98.8Very high96.4Very high0 Ų021.6 Ų21.60%010%0.101CC..  trans-63.8150175.500000110.9A254 V278 Y279 E280 K310A254-G282 CarbonylContact O-C 3.54Å; A254-G282 VanDerWaalsContact O-CA 3.3Å; A254-G282 WeakPolarHBondContact O-CA 3.34Å; V278-G282 WeakPolarHBondContact CG1-O 3.37Å; Y279-G282 PolarHBondContact O-N 2.79Å; E280-G282 PolarHBondContact O-N 3.05Å; G282-K310 PolarHBondContact O-N 3.26Å
283N98.7Very high96.1Very high39 Ų3921.3 Ų21.321%0.20910%0.099CC..EExtended strand (participates in β ladder)trans-125.4122.6179.1-174.332.4000110.5A254 H255 V256 E285A254-N283 PolarHBondContact O-N 3Å; H255-N283 WeakPolarHBondContact CA-O 3.29Å; H255-N283 HydrophobicContact CB-CB 4.49Å; H255-N283 PolarHBondContact CD2-ND2 2.83Å; H255-N283 PolarHBondContact CD2-O 2.65Å; H255-N283 PolarHBondContact NE2-ND2 3.49Å; V256-N283 PolarHBondContact N-O 2.86Å; N283-E285 PolarHBondContact ND2-OE1 2.83Å
284M98.7Very high95.9Very high0 Ų022.6 Ų22.60%010%0.103CC..EExtended strand (participates in β ladder)trans-116.9130175177.764-145.600110.4I248 V250 V256 T276 V278 W286 C302 K310 G311 S312I248-M284 HydrophobicContact CD1-CE 3.7Å; I248-M284 HydrophobicContact CD1-SD 4.05Å; I248-M284 HydrophobicContact CG2-SD 4.06Å; V250-M284 HydrophobicContact CG2-CB 4.3Å; V250-M284 HydrophobicContact CG2-SD 4.23Å; V256-M284 HydrophobicContact CB-SD 3.9Å; V256-M284 HydrophobicContact CG1-CE 4.37Å; V256-M284 HydrophobicContact CG1-SD 3.96Å; V256-M284 WeakPolarHBondContact O-CA 3.36Å; T276-M284 HydrophobicContact CG2-CB 4.03Å; T276-M284 HydrophobicContact CG2-CG 3.7Å; T276-M284 HydrophobicContact CG2-SD 3.81Å; V278-M284 HydrophobicContact CG2-CB 3.69Å; M284-W286 HydrophobicContact CE-CD2 3.45Å; M284-W286 VanDerWaalsContact CE-CD2 3.45Å; M284-W286 VanDerWaalsContact CE-CE2 3.42Å; M284-W286 HydrophobicContact CE-CE3 3.87Å; M284-W286 HydrophobicContact CE-CG 3.87Å; M284-W286 HydrophobicContact CE-CH2 4.18Å; M284-W286 HydrophobicContact CE-CZ2 3.84Å; M284-W286 HydrophobicContact CE-CZ3 4.2Å; M284-C302 VanDerWaalsContact CG-SG 3.56Å; M284-K310 PolarHBondContact N-O 3.49Å; M284-G311 CarbonylContact O-C 3.5Å; M284-G311 VanDerWaalsContact O-CA 3.29Å; M284-G311 WeakPolarHBondContact O-CA 2.94Å; M284-S312 PolarHBondContact O-N 2.85Å
285E98.2Very high95.8Very high47 Ų4722.6 Ų22.622%0.2210%0.103CC..EExtended strand (participates in β ladder)trans-126.7118.1178.3-53.7-171.3-137.900110.7H255 V256 R257 Y258 N283 S312H255-E285 IonicContact CD2-OE1 2.7Å; H255-E285 IonicContact CE1-OE1 3.39Å; H255-E285 PolarHBondContact CE1-OE1 2.85Å; H255-E285 IonicContact NE2-OE1 3.03Å; H255-E285 PolarHBondContact NE2-OE1 2.89Å; V256-E285 PolarHBondContact O-N 3.03Å; R257-E285 WeakPolarHBondContact CA-O 3.43Å; R257-E285 HydrophobicContact CB-CB 4.46Å; R257-E285 HydrophobicContact CG-CB 4.26Å; Y258-E285 PolarHBondContact N-O 2.77Å; N283-E285 PolarHBondContact ND2-OE1 2.83Å; E285-S312 WeakPolarHBondContact CA-OG 3.05Å; E285-S312 WeakPolarHBondContact CB-OG 3.43Å; E285-S312 WeakPolarHBondContact CG-OG 3.44Å
286W97.9Very high95.7Very high2 Ų220.6 Ų20.61%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-98.2122.2171.2-65.5104.9000109.6V246 I248 Y258 K274 T276 M284 P300 C302 S312 T313 L314V246-W286 HydrophobicContact CG1-CH2 3.96Å; V246-W286 HydrophobicContact CG1-CZ3 4.43Å; I248-W286 HydrophobicContact CD1-CH2 3.33Å; I248-W286 HydrophobicContact CD1-CZ2 3.8Å; I248-W286 HydrophobicContact CD1-CZ3 3.92Å; I248-W286 HydrophobicContact CG1-CH2 4.08Å; I248-W286 HydrophobicContact CG1-CZ2 4.45Å; Y258-W286 AromaticContact CD1-CE3 3.9Å; Y258-W286 HydrophobicContact CD1-CE3 3.9Å; Y258-W286 AromaticContact CD1-CZ3 3.56Å; Y258-W286 HydrophobicContact CD1-CZ3 3.56Å; Y258-W286 HydrophobicContact CD2-CH2 4.38Å; Y258-W286 AromaticContact CD2-CZ3 3.82Å; Y258-W286 HydrophobicContact CD2-CZ3 3.82Å; Y258-W286 HydrophobicContact CE1-CZ3 4.13Å; Y258-W286 HydrophobicContact CE2-CZ3 4.3Å; Y258-W286 AromaticContact CG-CE3 3.81Å; Y258-W286 HydrophobicContact CG-CE3 3.81Å; Y258-W286 HydrophobicContact CG-CH2 4.31Å; Y258-W286 AromaticContact CG-CZ3 3.37Å; Y258-W286 HydrophobicContact CG-CZ3 3.37Å; K274-W286 HydrophobicContact CB-CH2 3.75Å; K274-W286 HydrophobicContact CB-CZ2 4.16Å; K274-W286 HydrophobicContact CB-CZ3 4.16Å; K274-W286 HydrophobicContact CD-CE3 4.49Å; K274-W286 HydrophobicContact CD-CH2 4.22Å; K274-W286 HydrophobicContact CD-CZ3 3.8Å; T276-W286 WeakPolarHBondContact OG1-CZ2 3.38Å; M284-W286 HydrophobicContact CE-CD2 3.45Å; M284-W286 VanDerWaalsContact CE-CD2 3.45Å; M284-W286 VanDerWaalsContact CE-CE2 3.42Å; M284-W286 HydrophobicContact CE-CE3 3.87Å; M284-W286 HydrophobicContact CE-CG 3.87Å; M284-W286 HydrophobicContact CE-CH2 4.18Å; M284-W286 HydrophobicContact CE-CZ2 3.84Å; M284-W286 HydrophobicContact CE-CZ3 4.2Å; W286-P300 HydrophobicContact CB-CB 4.15Å; W286-P300 HydrophobicContact CD2-CB 3.64Å; W286-P300 HydrophobicContact CE3-CB 4.18Å; W286-P300 HydrophobicContact CG-CB 3.62Å; W286-C302 VanDerWaalsContact CD1-SG 3.54Å; W286-C302 PolarHBondContact NE1-SG 2.8Å; W286-C302 VanDerWaalsContact NE1-SG 3.42Å; W286-S312 PolarHBondContact N-O 2.88Å; W286-T313 HydrophobicContact CB-CG2 4Å; W286-T313 CarbonylContact O-C 3.5Å; W286-T313 WeakPolarHBondContact O-CA 3.22Å; W286-L314 PolarHBondContact O-N 3.45Å
287V95Very high95.6Very high5 Ų521.2 Ų21.23%0.0310%0.099CC..EExtended strand (participates in β ladder)trans-114.8104171-177.70000107.2Y258 T259 T260 L314 F440 E443 L444Y258-V287 PolarHBondContact O-N 2.87Å; T259-V287 CarbonylContact C-O 3.56Å; T259-V287 VanDerWaalsContact CA-O 3.25Å; T259-V287 WeakPolarHBondContact CA-O 3.32Å; T259-V287 HydrophobicContact CG2-CB 4.23Å; T259-V287 HydrophobicContact CG2-CG1 4.17Å; T260-V287 PolarHBondContact N-O 3.46Å; V287-L314 CarbonylContact C-O 3.52Å; V287-L314 WeakPolarHBondContact CA-O 3.46Å; V287-F440 HydrophobicContact CG1-CD2 3.93Å; V287-F440 HydrophobicContact CG1-CE2 3.44Å; V287-F440 VanDerWaalsContact CG1-CE2 3.44Å; V287-F440 HydrophobicContact CG1-CZ 4.01Å; V287-E443 HydrophobicContact CG1-CB 4.29Å; V287-L444 HydrophobicContact CG1-CD2 3.92Å
288D93.9Very high95.5Very high2 Ų219.1 Ų19.11%0.0119%0.09CC..EExtended strand (participates in β ladder)trans-122.2102.1-161.8-17251.8000113.1N290 K298 L314 S315 I316D288-N290 PolarHBondContact O-ND2 3.06Å; D288-N290 PolarHBondContact OD2-ND2 2.96Å; D288-K298 VanDerWaalsContact CG-CE 3.5Å; D288-K298 VanDerWaalsContact CG-NZ 3.31Å; D288-K298 WeakPolarHBondContact OD1-CE 3.47Å; D288-K298 IonicContact OD1-NZ 3.1Å; D288-K298 PolarHBondContact OD1-NZ 3.09Å; D288-K298 WeakPolarHBondContact OD2-CE 3.48Å; D288-K298 IonicContact OD2-NZ 3.25Å; D288-K298 PolarHBondContact OD2-NZ 2.95Å; D288-L314 PolarHBondContact N-O 2.84Å; D288-S315 CarbonylContact O-C 3.58Å; D288-S315 VanDerWaalsContact O-CA 3.26Å; D288-S315 WeakPolarHBondContact O-CA 3.38Å; D288-I316 PolarHBondContact O-N 3.28Å
289G91.6Very high95.4Very high0 Ų020.2 Ų20.20%09%0.094CC..EExtended strand (participates in β ladder)trans-95.3118.8177.500000111.9T260 Q262 F440T260-G289 PolarHBondContact O-N 2.8Å; Q262-G289 WeakPolarHBondContact CG-O 3.22Å; Q262-G289 PolarHBondContact N-O 2.88Å; Q262-G289 VanDerWaalsContact N-O 3.11Å; G289-F440 VanDerWaalsContact CA-CZ 3.44Å
290N92.8Very high95.3Very high0 Ų016 Ų160%08%0.077CC..EExtended strand (participates in β ladder)trans-11398.1-177.7-59.1-91.3000111.5Q262 D288 K298 S315 I316 A317 F318Q262-N290 PolarHBondContact NE2-OD1 2.77Å; D288-N290 PolarHBondContact O-ND2 3.06Å; D288-N290 PolarHBondContact OD2-ND2 2.96Å; N290-K298 WeakPolarHBondContact OD1-CE 2.97Å; N290-K298 PolarHBondContact OD1-NZ 2.84Å; N290-S315 PolarHBondContact ND2-OG 2.87Å; N290-I316 WeakPolarHBondContact CA-O 3.27Å; N290-I316 VanDerWaalsContact CB-O 3.22Å; N290-I316 WeakPolarHBondContact CB-O 3.38Å; N290-I316 PolarHBondContact N-O 3.18Å; N290-I316 PolarHBondContact ND2-O 3.3Å; N290-A317 HydrophobicContact CB-CB 4.21Å; N290-A317 WeakPolarHBondContact O-CA 3.06Å; N290-F318 PolarHBondContact O-N 2.63Å
291L88.7Confident95.3Very high1 Ų112.8 Ų12.81%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-123.7156.1172.6-51.8119.1000110.4Q262 N263 W264 F318 M452 L455 I456Q262-L291 WeakPolarHBondContact O-CB 3.03Å; Q262-L291 PolarHBondContact O-N 3.41Å; Q262-L291 VanDerWaalsContact O-N 3.14Å; N263-L291 WeakPolarHBondContact CA-O 3.47Å; W264-L291 PolarHBondContact N-O 2.8Å; L291-F318 HydrophobicContact CD2-CB 3.98Å; L291-M452 HydrophobicContact CD1-CE 3.74Å; L291-M452 HydrophobicContact CD1-SD 3.49Å; L291-M452 WeakPolarHBondContact CD1-SD 3.37Å; L291-M452 HydrophobicContact CD2-CE 4.21Å; L291-M452 HydrophobicContact CD2-SD 4.48Å; L291-M452 HydrophobicContact CG-CE 4.31Å; L291-L455 HydrophobicContact CD1-CD1 4.42Å; L291-I456 HydrophobicContact CD2-CG1 3.88Å
292G86.8Confident95.3Very high0 Ų09.3 Ų9.30%04%0.044CC..EExtended strand (participates in β ladder)trans70.7-158178.600000113.3W264 Q323 Q325W264-G292 CarbonylContact O-C 3.04Å; W264-G292 WeakPolarHBondContact O-CA 3.08Å; G292-Q323 VanDerWaalsContact CA-NE2 3.29Å; G292-Q323 PolarHBondContact O-NE2 2.91Å; G292-Q325 PolarHBondContact O-NE2 3.39Å
293S90.6Very high95.3Very high0 Ų010.1 Ų10.10%05%0.049CC..  trans69.5153.2-175.680.10000114.9W264 A265 V268 T296 Q323W264-S293 PolarHBondContact O-N 3.46Å; A265-S293 WeakPolarHBondContact O-CA 3.4Å; A265-S293 PolarHBondContact O-N 3.09Å; V268-S293 CarbonylContact O-C 3.56Å; V268-S293 WeakPolarHBondContact O-CB 3.4Å; S293-T296 PolarHBondContact OG-OG1 3.08Å; S293-Q323 VanDerWaalsContact O-CG 3.25Å; S293-Q323 WeakPolarHBondContact O-CG 3.36Å; S293-Q323 PolarHBondContact O-NE2 2.96Å
294K92.9Very high95.3Very high46 Ų468.3 Ų8.320%0.24%0.039CC..SBendtrans-72-50.8168-167.4177.9176-171.70110.3E72 N266 V268 Y269 Q323 V324E72-K294 IonicContact OE1-NZ 3.63Å; E72-K294 PolarHBondContact OE1-NZ 2.7Å; E72-K294 IonicContact OE2-NZ 2.71Å; E72-K294 PolarHBondContact OE2-NZ 3.06Å; N266-K294 VanDerWaalsContact O-CA 3.29Å; N266-K294 WeakPolarHBondContact O-CA 3.42Å; N266-K294 WeakPolarHBondContact O-CB 3.27Å; N266-K294 PolarHBondContact O-N 2.77Å; V268-K294 PolarHBondContact O-N 2.85Å; Y269-K294 HydrophobicContact CE1-CD 4.38Å; Y269-K294 HydrophobicContact CE2-CD 4.07Å; Y269-K294 PolarHBondContact OH-NZ 2.84Å; K294-Q323 WeakPolarHBondContact O-CA 3.4Å; K294-V324 PolarHBondContact O-N 2.66Å
295L95.5Very high95.3Very high4 Ų411.3 Ų11.32%0.0216%0.055CC..EExtended strand (participates in β ladder)trans-142.4122.7-179.3170.162.6000108.5L70 Y269 N270 M297 V324L70-L295 HydrophobicContact CD2-CD2 3.66Å; L70-L295 HydrophobicContact CG-CD2 4.11Å; Y269-L295 HydrophobicContact CD1-CB 3.86Å; Y269-L295 HydrophobicContact CD1-CD2 4.08Å; Y269-L295 HydrophobicContact CD1-CG 4.43Å; Y269-L295 HydrophobicContact CE1-CB 4.03Å; Y269-L295 HydrophobicContact CE1-CD2 4.08Å; N270-L295 PolarHBondContact N-O 2.97Å; L295-M297 HydrophobicContact CD1-CG 4.16Å; L295-M297 HydrophobicContact CD2-SD 4.39Å; L295-M297 HydrophobicContact CG-CG 4.28Å; L295-V324 CarbonylContact C-O 3.58Å; L295-V324 VanDerWaalsContact CA-O 3.3Å; L295-V324 WeakPolarHBondContact CA-O 3.39Å; L295-V324 HydrophobicContact CD1-CB 3.75Å; L295-V324 HydrophobicContact CD1-CG1 3.78Å
296T96.8Very high95.3Very high0 Ų09.5 Ų9.50%05%0.05CC..EExtended strand (participates in β ladder)trans-104.9133.3166.1-72.50000109.8Q262 N270 S293 K298 V324 Q325 D326Q262-T296 PolarHBondContact NE2-OG1 2.83Å; N270-T296 WeakPolarHBondContact CB-OG1 3.26Å; N270-T296 WeakPolarHBondContact ND2-CG2 3.43Å; N270-T296 PolarHBondContact ND2-OG1 3.47Å; N270-T296 VanDerWaalsContact ND2-OG1 3.09Å; N270-T296 CarbonylContact O-C 3.59Å; N270-T296 WeakPolarHBondContact O-CA 3.26Å; S293-T296 PolarHBondContact OG-OG1 3.08Å; T296-K298 HydrophobicContact CG2-CB 3.86Å; T296-V324 PolarHBondContact N-O 2.92Å; T296-Q325 PolarHBondContact OG1-OE1 2.68Å; T296-D326 CarbonylContact O-C 3.53Å; T296-D326 WeakPolarHBondContact O-CA 3.46Å; T296-D326 WeakPolarHBondContact O-CB 3.44Å; T296-D326 PolarHBondContact O-N 2.95Å
297M97.1Very high95.3Very high14 Ų1414.2 Ų14.27%0.0697%0.072CC..EExtended strand (participates in β ladder)trans-126.7101166-67.518063.800108.2W66 L70 N270 L271 V272 L295 Y299 D326W66-M297 HydrophobicContact CD2-CE 4.48Å; W66-M297 HydrophobicContact CE3-CE 4.05Å; W66-M297 HydrophobicContact CH2-CE 4.1Å; W66-M297 HydrophobicContact CZ3-CE 3.85Å; L70-M297 HydrophobicContact CD1-SD 4.45Å; N270-M297 PolarHBondContact O-N 2.82Å; L271-M297 HydrophobicContact CD2-CB 3.9Å; L271-M297 HydrophobicContact CD2-CG 3.96Å; L271-M297 HydrophobicContact CD2-SD 4Å; V272-M297 PolarHBondContact N-O 3Å; L295-M297 HydrophobicContact CD1-CG 4.16Å; L295-M297 HydrophobicContact CD2-SD 4.39Å; L295-M297 HydrophobicContact CG-CG 4.28Å; M297-Y299 HydrophobicContact CB-CE2 4.33Å; M297-D326 WeakPolarHBondContact CA-O 3.35Å; M297-D326 HydrophobicContact CG-CB 4.42Å
298K96.5Very high95.5Very high1 Ų114.5 Ų14.50%0.0048%0.076CC..EExtended strand (participates in β ladder)trans-145.5125.4-173.8-170.9172.954.7174.70111.8V272 D288 N290 T296 P300 D326 A327 G328V272-K298 HydrophobicContact CB-CD 4.25Å; V272-K298 HydrophobicContact CB-CG 4.21Å; V272-K298 HydrophobicContact CG1-CD 4.41Å; D288-K298 VanDerWaalsContact CG-CE 3.5Å; D288-K298 VanDerWaalsContact CG-NZ 3.31Å; D288-K298 WeakPolarHBondContact OD1-CE 3.47Å; D288-K298 IonicContact OD1-NZ 3.1Å; D288-K298 PolarHBondContact OD1-NZ 3.09Å; D288-K298 WeakPolarHBondContact OD2-CE 3.48Å; D288-K298 IonicContact OD2-NZ 3.25Å; D288-K298 PolarHBondContact OD2-NZ 2.95Å; N290-K298 WeakPolarHBondContact OD1-CE 2.97Å; N290-K298 PolarHBondContact OD1-NZ 2.84Å; T296-K298 HydrophobicContact CG2-CB 3.86Å; K298-P300 HydrophobicContact CG-CG 4.47Å; K298-D326 PolarHBondContact N-O 2.86Å; K298-D326 VanDerWaalsContact N-O 3.08Å; K298-A327 WeakPolarHBondContact O-CA 3.45Å; K298-G328 PolarHBondContact O-N 3.34Å; K298-G328 VanDerWaalsContact O-N 3.11Å
299Y96.8Very high95.7Very high22 Ų2214.4 Ų14.49%0.0868%0.075CC..  trans-138.176.4-174.4-43.1-72.4000111.2W66 M297 N301 D326 R357W66-Y299 AromaticContact CH2-CE2 3.96Å; W66-Y299 HydrophobicContact CH2-CE2 3.96Å; W66-Y299 AromaticContact CZ3-CE2 3.92Å; W66-Y299 HydrophobicContact CZ3-CE2 3.92Å; W66-Y299 AromaticContact CZ3-CZ 3.96Å; M297-Y299 HydrophobicContact CB-CE2 4.33Å; Y299-N301 PolarHBondContact O-N 2.7Å; Y299-D326 WeakPolarHBondContact CE1-O 3.43Å; Y299-D326 WeakPolarHBondContact CE1-OD1 3.27Å; Y299-D326 VanDerWaalsContact CZ-OD1 3.27Å; Y299-D326 PolarHBondContact OH-OD1 3Å; Y299-D326 PolarHBondContact OH-OD2 3.28Å; Y299-R357 HydrophobicContact CD1-CB 4.19Å; Y299-R357 HydrophobicContact CE1-CB 3.71Å; Y299-R357 HydrophobicContact CE1-CG 4.2Å
300P97.4Very high96.1Very high0 Ų019.2 Ų19.20%010%0.096CC..  trans-52.2133.4177-26.137.4000111.4K274 W286 K298 G328 A329 K330K274-P300 HydrophobicContact CB-CB 4.48Å; W286-P300 HydrophobicContact CB-CB 4.15Å; W286-P300 HydrophobicContact CD2-CB 3.64Å; W286-P300 HydrophobicContact CE3-CB 4.18Å; W286-P300 HydrophobicContact CG-CB 3.62Å; K298-P300 HydrophobicContact CG-CG 4.47Å; P300-G328 WeakPolarHBondContact CD-O 3.26Å; P300-A329 CarbonylContact O-C 3.59Å; P300-A329 WeakPolarHBondContact O-CA 3.28Å; P300-K330 PolarHBondContact O-N 3.08Å
301N98Very high96.4Very high13 Ų1319.4 Ų19.47%0.0710%0.098CC..EExtended strand (participates in β ladder)trans-122.7128.9-169.7177.2-10.6000110.9K274 R275 T276 Y299 V303 K330K274-N301 PolarHBondContact O-N 3.14Å; R275-N301 CarbonylContact C-O 3.59Å; R275-N301 WeakPolarHBondContact CA-O 3.48Å; R275-N301 HydrophobicContact CB-CB 4.15Å; R275-N301 HydrophobicContact CG-CB 3.94Å; R275-N301 PolarHBondContact NE-ND2 2.9Å; T276-N301 PolarHBondContact N-O 3.11Å; Y299-N301 PolarHBondContact O-N 2.7Å; N301-V303 WeakPolarHBondContact OD1-CG2 3.15Å; N301-K330 CarbonylContact C-O 3.3Å; N301-K330 VanDerWaalsContact CA-O 3.26Å; N301-K330 WeakPolarHBondContact CA-O 3.37Å; N301-K330 HydrophobicContact CB-CB 3.91Å; N301-K330 PolarHBondContact OD1-O 2.82Å
302C98.6Very high96.8Very high0 Ų020.8 Ų20.80%011%0.107CC..EExtended strand (participates in β ladder)trans-108.6113.8166.4-62.70000110.2M284 W286 L304 K330 M331 I332M284-C302 VanDerWaalsContact CG-SG 3.56Å; W286-C302 VanDerWaalsContact CD1-SG 3.54Å; W286-C302 PolarHBondContact NE1-SG 2.8Å; W286-C302 VanDerWaalsContact NE1-SG 3.42Å; C302-L304 HydrophobicContact CB-CD2 3.94Å; C302-K330 PolarHBondContact N-O 3.44Å; C302-M331 HydrophobicContact CB-SD 3.67Å; C302-I332 PolarHBondContact O-N 2.59Å
303V98.7Very high97.3Very high17 Ų1720.9 Ų20.910%0.10311%0.108CC..EExtended strand (participates in β ladder)trans-93.3105.7167.7-167.60000108.7R275 T276 F277 V278 N301 L305 I332 K334R275-V303 HydrophobicContact CG-CG2 4.24Å; T276-V303 PolarHBondContact O-N 3.18Å; F277-V303 HydrophobicContact CD1-CB 3.72Å; F277-V303 HydrophobicContact CD1-CG1 4.4Å; F277-V303 HydrophobicContact CD1-CG2 3.94Å; F277-V303 HydrophobicContact CE1-CB 4.02Å; F277-V303 HydrophobicContact CE1-CG1 4.43Å; F277-V303 HydrophobicContact CE1-CG2 3.87Å; V278-V303 PolarHBondContact N-O 3.16Å; N301-V303 WeakPolarHBondContact OD1-CG2 3.15Å; V303-L305 HydrophobicContact CG1-CD2 3.6Å; V303-L305 HydrophobicContact CG1-CG 3.93Å; V303-L305 PolarHBondContact O-N 3.05Å; V303-I332 HydrophobicContact CG1-CB 4.28Å; V303-I332 HydrophobicContact CG1-CG2 4.36Å; V303-I332 HydrophobicContact CG2-CB 4.4Å; V303-I332 HydrophobicContact CG2-CG1 4.44Å; V303-K334 HydrophobicContact CG1-CG 4.21Å
304L98.8Very high97.6Very high0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-87.588.7-174.9-51.4179.5000109V278 C302 A309 I332 K334 A335 T338V278-L304 HydrophobicContact CB-CD2 3.93Å; V278-L304 HydrophobicContact CG1-CD2 4.43Å; V278-L304 HydrophobicContact CG2-CD2 3.91Å; C302-L304 HydrophobicContact CB-CD2 3.94Å; L304-A309 HydrophobicContact CB-CB 4.02Å; L304-A309 HydrophobicContact CD2-CB 4.27Å; L304-I332 PolarHBondContact N-O 3.31Å; L304-K334 WeakPolarHBondContact O-CA 3.19Å; L304-K334 WeakPolarHBondContact O-CB 3.32Å; L304-K334 PolarHBondContact O-N 3.05Å; L304-A335 PolarHBondContact O-N 2.94Å; L304-T338 HydrophobicContact CB-CG2 3.82Å
305L98.6Very high97.7Very high63 Ų6319.9 Ų19.933%0.3311%0.105SC..  trans-89.3-27.8-170.4-66.8176.9000113.8F277 V278 Y279 V303 K334 A335F277-L305 HydrophobicContact CB-CD1 3.86Å; F277-L305 HydrophobicContact CD1-CD1 4.11Å; F277-L305 HydrophobicContact CD2-CD1 3.94Å; F277-L305 HydrophobicContact CG-CD1 3.7Å; V278-L305 PolarHBondContact O-N 2.92Å; Y279-L305 HydrophobicContact CD1-CB 4.37Å; Y279-L305 HydrophobicContact CE1-CB 4.39Å; Y279-L305 HydrophobicContact CE1-CD1 4.16Å; V303-L305 HydrophobicContact CG1-CD2 3.6Å; V303-L305 HydrophobicContact CG1-CG 3.93Å; V303-L305 PolarHBondContact O-N 3.05Å; L305-K334 HydrophobicContact CD2-CB 4.22Å; L305-K334 HydrophobicContact CD2-CG 4.25Å; L305-A335 WeakPolarHBondContact O-CB 3.37Å
306G98.3Very high97.6Very high10 Ų1019.8 Ų19.810%0.10310%0.104CC..SBendtrans-100.7155.918000000113.7V278 G308 A309 A335 T338V278-G306 PolarHBondContact O-N 2.78Å; V278-G306 VanDerWaalsContact O-N 3.16Å; G306-G308 PolarHBondContact O-N 2.83Å; G306-A309 WeakPolarHBondContact O-CB 3.13Å; G306-A309 PolarHBondContact O-N 2.93Å; G306-A335 VanDerWaalsContact O-CB 3.28Å; G306-A335 WeakPolarHBondContact O-CB 3.46Å; G306-T338 WeakPolarHBondContact O-CG2 3.38Å
307E98.7Very high97.5Very high101 Ų10119.8 Ų19.847%0.47211%0.105SC..THydrogen-bonded Turntrans-59.4137.7172.5177.3166.2-169.800110.4E280 N281 A309 P336 N337E280-E307 CarbonylContact C-O 3.58Å; E280-E307 VanDerWaalsContact CA-O 3.28Å; E280-E307 WeakPolarHBondContact CA-O 3.42Å; E280-E307 WeakPolarHBondContact CG-O 3.29Å; N281-E307 PolarHBondContact N-O 2.71Å; E307-A309 PolarHBondContact O-N 3.06Å; E307-A309 VanDerWaalsContact O-N 3.15Å; E307-P336 WeakPolarHBondContact CA-O 3.29Å; E307-P336 HydrophobicContact CG-CB 4.37Å; E307-N337 HydrophobicContact CG-CB 4.4Å; E307-N337 PolarHBondContact OE1-ND2 2.79Å
308G98.7Very high97.3Very high11 Ų1119.2 Ų19.211%0.11310%0.102CC..THydrogen-bonded Turntrans72.90.5-18000000115.3G306 K310 P336 N337G306-G308 PolarHBondContact O-N 2.83Å; G308-K310 WeakPolarHBondContact O-CG 3.34Å; G308-P336 PolarHBondContact N-O 2.79Å; G308-P336 VanDerWaalsContact N-O 3.1Å; G308-N337 WeakPolarHBondContact CA-O 3.4Å
309A98.8Very high97.2Very high0 Ų019.1 Ų19.10%010%0.102CC..  trans-59.6141.5178.300000112.1V278 Y279 L304 G306 E307 T338 S339V278-A309 HydrophobicContact CB-CB 4.14Å; V278-A309 HydrophobicContact CG1-CB 3.77Å; Y279-A309 WeakPolarHBondContact O-CB 3.21Å; L304-A309 HydrophobicContact CB-CB 4.02Å; L304-A309 HydrophobicContact CD2-CB 4.27Å; G306-A309 WeakPolarHBondContact O-CB 3.13Å; G306-A309 PolarHBondContact O-N 2.93Å; E307-A309 PolarHBondContact O-N 3.06Å; E307-A309 VanDerWaalsContact O-N 3.15Å; A309-T338 HydrophobicContact CB-CG2 4.04Å; A309-T338 VanDerWaalsContact O-CA 3.25Å; A309-T338 WeakPolarHBondContact O-CA 3.39Å; A309-T338 WeakPolarHBondContact O-CB 3.22Å; A309-S339 PolarHBondContact O-N 2.86Å
310K98.8Very high96.9Very high100 Ų10018.1 Ų18.144%0.43510%0.098SC..EExtended strand (participates in β ladder)trans-124.1142.1-176-51.9-175-175.5163.30111.7G282 M284 G308 S339G282-K310 PolarHBondContact O-N 3.26Å; M284-K310 PolarHBondContact N-O 3.49Å; G308-K310 WeakPolarHBondContact O-CG 3.34Å; K310-S339 VanDerWaalsContact CA-O 3.26Å; K310-S339 WeakPolarHBondContact CA-O 3.32Å; K310-S339 WeakPolarHBondContact CG-OG 3.3Å
311G98.7Very high96.7Very high4 Ų426.2 Ų26.24%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-140.8127.5174.900000111.7M284 S339 S340 T341M284-G311 CarbonylContact O-C 3.5Å; M284-G311 VanDerWaalsContact O-CA 3.29Å; M284-G311 WeakPolarHBondContact O-CA 2.94Å; G311-S339 PolarHBondContact N-O 2.98Å; G311-S340 CarbonylContact O-C 3.55Å; G311-S340 WeakPolarHBondContact O-CA 3.34Å; G311-S340 VanDerWaalsContact O-CB 3.24Å; G311-S340 WeakPolarHBondContact O-CB 3.4Å; G311-T341 PolarHBondContact O-N 3.48Å; G311-T341 VanDerWaalsContact O-N 3.1Å
312S98.2Very high96.4Very high30 Ų3028.5 Ų28.521%0.2116%0.16CC..EExtended strand (participates in β ladder)trans-121.1149.8172.167.90000111.4M284 E285 W286 T341M284-S312 PolarHBondContact O-N 2.85Å; E285-S312 WeakPolarHBondContact CA-OG 3.05Å; E285-S312 WeakPolarHBondContact CB-OG 3.43Å; E285-S312 WeakPolarHBondContact CG-OG 3.44Å; W286-S312 PolarHBondContact N-O 2.88Å; S312-T341 CarbonylContact C-O 3.58Å; S312-T341 VanDerWaalsContact CA-O 3.26Å; S312-T341 WeakPolarHBondContact CA-O 3.42Å
313T97.8Very high96.2Very high3 Ų328.7 Ų28.72%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-136.8121.6168-58.80000109.2W286 A329 M331 T341 I342 V343W286-T313 HydrophobicContact CB-CG2 4Å; W286-T313 CarbonylContact O-C 3.5Å; W286-T313 WeakPolarHBondContact O-CA 3.22Å; T313-A329 HydrophobicContact CG2-CB 3.77Å; T313-M331 WeakPolarHBondContact OG1-CE 3.2Å; T313-T341 PolarHBondContact N-O 3.43Å; T313-I342 CarbonylContact O-C 3.57Å; T313-I342 WeakPolarHBondContact O-CA 3.41Å; T313-V343 PolarHBondContact O-N 2.93Å
314L96Very high96.1Very high23 Ų2329.5 Ų29.512%0.1217%0.166CC..EExtended strand (participates in β ladder)trans-110.6112168.3178.263.8000107.4W286 V287 D288 V343 F440 E443W286-L314 PolarHBondContact O-N 3.45Å; V287-L314 CarbonylContact C-O 3.52Å; V287-L314 WeakPolarHBondContact CA-O 3.46Å; D288-L314 PolarHBondContact N-O 2.84Å; L314-V343 CarbonylContact C-O 3.51Å; L314-V343 VanDerWaalsContact CA-O 3.32Å; L314-V343 WeakPolarHBondContact CA-O 3.4Å; L314-V343 HydrophobicContact CD1-CB 3.57Å; L314-V343 HydrophobicContact CD1-CG1 3.5Å; L314-V343 VanDerWaalsContact CD1-CG1 3.5Å; L314-F440 HydrophobicContact CD2-CB 4.26Å; L314-F440 HydrophobicContact CD2-CD2 4.09Å; L314-F440 HydrophobicContact CG-CD2 3.97Å; L314-E443 HydrophobicContact CD2-CB 4.07Å; L314-E443 HydrophobicContact CD2-CG 3.57Å
315S94.8Very high96Very high2 Ų229.5 Ų29.51%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-121133.7-175-177.30000111.3D288 N290 V343 S344 K345D288-S315 CarbonylContact O-C 3.58Å; D288-S315 VanDerWaalsContact O-CA 3.26Å; D288-S315 WeakPolarHBondContact O-CA 3.38Å; N290-S315 PolarHBondContact ND2-OG 2.87Å; S315-V343 PolarHBondContact N-O 2.76Å; S315-S344 CarbonylContact O-C 3.47Å; S315-S344 WeakPolarHBondContact O-CA 3.16Å; S315-K345 PolarHBondContact O-N 2.71Å
316I93.3Very high95.9Very high1 Ų126.5 Ų26.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-111.6138.6165.6-69-162.3000110.1D288 N290 K345 I437 F440 M452D288-I316 PolarHBondContact O-N 3.28Å; N290-I316 WeakPolarHBondContact CA-O 3.27Å; N290-I316 VanDerWaalsContact CB-O 3.22Å; N290-I316 WeakPolarHBondContact CB-O 3.38Å; N290-I316 PolarHBondContact N-O 3.18Å; N290-I316 PolarHBondContact ND2-O 3.3Å; I316-K345 WeakPolarHBondContact CA-O 3.32Å; I316-K345 HydrophobicContact CG1-CB 4.28Å; I316-I437 HydrophobicContact CD1-CB 3.57Å; I316-I437 HydrophobicContact CD1-CG2 3.78Å; I316-F440 HydrophobicContact CB-CD2 4.35Å; I316-F440 HydrophobicContact CB-CG 4.33Å; I316-F440 HydrophobicContact CD1-CB 3.12Å; I316-F440 HydrophobicContact CD1-CD1 3.7Å; I316-F440 HydrophobicContact CD1-CD2 4.15Å; I316-F440 HydrophobicContact CD1-CG 3.42Å; I316-F440 VanDerWaalsContact CD1-CG 3.42Å; I316-F440 HydrophobicContact CG1-CB 3.61Å; I316-F440 HydrophobicContact CG1-CD1 4.11Å; I316-F440 HydrophobicContact CG1-CD2 3.77Å; I316-F440 HydrophobicContact CG1-CE2 4.46Å; I316-F440 HydrophobicContact CG1-CG 3.58Å; I316-M452 HydrophobicContact CG2-CE 4.07Å
317A94.2Very high95.8Very high1 Ų126.1 Ų26.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-130.3133.7169.900000111.9N290 Q325 A327 K345 S346 I347N290-A317 HydrophobicContact CB-CB 4.21Å; N290-A317 WeakPolarHBondContact O-CA 3.06Å; A317-Q325 HydrophobicContact CB-CB 3.95Å; A317-Q325 HydrophobicContact CB-CG 4.34Å; A317-A327 HydrophobicContact CB-CB 4.36Å; A317-K345 PolarHBondContact N-O 3.37Å; A317-S346 CarbonylContact O-C 3.45Å; A317-S346 VanDerWaalsContact O-CA 3.29Å; A317-S346 WeakPolarHBondContact O-CA 3.35Å; A317-I347 PolarHBondContact O-N 3.15Å
318F92.9Very high95.6Very high1 Ų121.3 Ų21.30%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-123.7123.5173.9-168.1-74.9000110N290 L291 Q325 I347 K349 E459N290-F318 PolarHBondContact O-N 2.63Å; L291-F318 HydrophobicContact CD2-CB 3.98Å; F318-Q325 WeakPolarHBondContact O-CG 3.47Å; F318-Q325 PolarHBondContact O-NE2 2.61Å; F318-I347 WeakPolarHBondContact CA-O 3.38Å; F318-I347 HydrophobicContact CD2-CB 3.64Å; F318-I347 HydrophobicContact CD2-CD1 3.95Å; F318-I347 HydrophobicContact CD2-CG1 4.43Å; F318-I347 HydrophobicContact CD2-CG2 3.69Å; F318-I347 HydrophobicContact CE2-CB 4.03Å; F318-I347 HydrophobicContact CE2-CD1 4.41Å; F318-I347 HydrophobicContact CE2-CG2 3.51Å; F318-I347 HydrophobicContact CG-CB 4.42Å; F318-I347 HydrophobicContact CZ-CG2 4.35Å; F318-K349 HydrophobicContact CE1-CD 3.95Å; F318-K349 HydrophobicContact CE1-CG 3.73Å; F318-K349 HydrophobicContact CZ-CD 3.68Å; F318-K349 HydrophobicContact CZ-CG 3.68Å; F318-E459 HydrophobicContact CD1-CB 4.18Å; F318-E459 HydrophobicContact CD1-CG 4.3Å; F318-E459 HydrophobicContact CE1-CB 3.68Å; F318-E459 HydrophobicContact CE1-CG 4.2Å; F318-E459 HydrophobicContact CE2-CB 4.3Å; F318-E459 HydrophobicContact CZ-CB 3.74Å; F318-E459 WeakPolarHBondContact CZ-O 3.43Å
319A94.1Very high95.6Very high0 Ų020.8 Ų20.80%012%0.118CC..EExtended strand (participates in β ladder)trans-120.9119.2176.700000111.2Q323 Q325 I347 S348 K349 K353 V354A319-Q323 HydrophobicContact CB-CB 4.37Å; A319-Q325 HydrophobicContact CB-CG 3.83Å; A319-I347 PolarHBondContact N-O 2.95Å; A319-S348 WeakPolarHBondContact O-CA 3.25Å; A319-K349 PolarHBondContact O-N 3.39Å; A319-K353 VanDerWaalsContact CB-O 3.31Å; A319-K353 WeakPolarHBondContact CB-O 3.33Å; A319-V354 HydrophobicContact CB-CG1 3.58Å
320G92.5Very high95.6Very high1 Ų123.4 Ų23.41%0.0113%0.13CC..  trans-97.7-163168.300000113.2G322 Q323 K349 G352G320-G322 PolarHBondContact O-N 3.38Å; G320-Q323 VanDerWaalsContact CA-OE1 3.27Å; G320-Q323 WeakPolarHBondContact O-CB 3.34Å; G320-Q323 PolarHBondContact O-N 2.9Å; G320-Q323 VanDerWaalsContact O-N 3.09Å; G320-K349 CarbonylContact C-O 3.45Å; G320-K349 VanDerWaalsContact CA-O 3.29Å; G320-K349 WeakPolarHBondContact CA-O 3.42Å; G320-G352 WeakPolarHBondContact O-CA 3.4Å
321K91.9Very high95.5Very high169 Ų16918.6 Ų18.674%0.73511%0.109SC*.THydrogen-bonded Turntrans-55.1123-176.1-176.5178.7179.5178.10112.7Q323 N350K321-Q323 PolarHBondContact O-N 2.94Å; K321-N350 VanDerWaalsContact CA-O 3.24Å; K321-N350 WeakPolarHBondContact CA-O 3.49Å; K321-N350 HydrophobicContact CB-CB 4.19Å; K321-N350 WeakPolarHBondContact CB-O 3.46Å
322G91.4Very high95.5Very high62 Ų6219.6 Ų19.664%0.63911%0.113SC*.THydrogen-bonded Turntrans73.67.3176.500000114.6G320G320-G322 PolarHBondContact O-N 3.38Å
323Q95Very high95.6Very high3 Ų318.2 Ų18.21%0.01410%0.103CC..  trans-99.7144.7-179.3-55.6-177.6-68.400111.5N266 G292 S293 K294 A319 G320 K321 K353N266-Q323 PolarHBondContact OD1-NE2 2.83Å; G292-Q323 VanDerWaalsContact CA-NE2 3.29Å; G292-Q323 PolarHBondContact O-NE2 2.91Å; S293-Q323 VanDerWaalsContact O-CG 3.25Å; S293-Q323 WeakPolarHBondContact O-CG 3.36Å; S293-Q323 PolarHBondContact O-NE2 2.96Å; K294-Q323 WeakPolarHBondContact O-CA 3.4Å; A319-Q323 HydrophobicContact CB-CB 4.37Å; G320-Q323 VanDerWaalsContact CA-OE1 3.27Å; G320-Q323 WeakPolarHBondContact O-CB 3.34Å; G320-Q323 PolarHBondContact O-N 2.9Å; G320-Q323 VanDerWaalsContact O-N 3.09Å; K321-Q323 PolarHBondContact O-N 2.94Å; Q323-K353 PolarHBondContact O-N 2.81Å
324V96.5Very high95.6Very high34 Ų3422.3 Ų22.321%0.20612%0.121CC..EExtended strand (participates in β ladder)trans-125117.3171.2-177.20000109.4K294 L295 T296 K353 I355K294-V324 PolarHBondContact O-N 2.66Å; L295-V324 CarbonylContact C-O 3.58Å; L295-V324 VanDerWaalsContact CA-O 3.3Å; L295-V324 WeakPolarHBondContact CA-O 3.39Å; L295-V324 HydrophobicContact CD1-CB 3.75Å; L295-V324 HydrophobicContact CD1-CG1 3.78Å; T296-V324 PolarHBondContact N-O 2.92Å; V324-K353 CarbonylContact C-O 3.53Å; V324-K353 WeakPolarHBondContact CA-O 3.36Å; V324-K353 HydrophobicContact CG1-CG 4.48Å; V324-K353 HydrophobicContact CG2-CB 4.27Å; V324-I355 HydrophobicContact CG1-CD1 4.02Å
325Q96.7Very high95.7Very high0 Ų021.5 Ų21.50%012%0.118CC..EExtended strand (participates in β ladder)trans-103.393.3173-57.8-69.1-11.300109.3G292 T296 A317 F318 A319 A327 K353 V354 I355G292-Q325 PolarHBondContact O-NE2 3.39Å; T296-Q325 PolarHBondContact OG1-OE1 2.68Å; A317-Q325 HydrophobicContact CB-CB 3.95Å; A317-Q325 HydrophobicContact CB-CG 4.34Å; F318-Q325 WeakPolarHBondContact O-CG 3.47Å; F318-Q325 PolarHBondContact O-NE2 2.61Å; A319-Q325 HydrophobicContact CB-CG 3.83Å; Q325-A327 PolarHBondContact O-N 2.9Å; Q325-K353 PolarHBondContact N-O 2.71Å; Q325-V354 HydrophobicContact CB-CG1 4.31Å; Q325-I355 PolarHBondContact O-N 3.32Å
326D96.8Very high95.9Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-91.285.7168.7-162.2-40.8000109.2G67 T296 M297 K298 Y299 I355 R357G67-D326 VanDerWaalsContact CA-OD2 3.31Å; G67-D326 WeakPolarHBondContact CA-OD2 3.09Å; T296-D326 CarbonylContact O-C 3.53Å; T296-D326 WeakPolarHBondContact O-CA 3.46Å; T296-D326 WeakPolarHBondContact O-CB 3.44Å; T296-D326 PolarHBondContact O-N 2.95Å; M297-D326 WeakPolarHBondContact CA-O 3.35Å; M297-D326 HydrophobicContact CG-CB 4.42Å; K298-D326 PolarHBondContact N-O 2.86Å; K298-D326 VanDerWaalsContact N-O 3.08Å; Y299-D326 WeakPolarHBondContact CE1-O 3.43Å; Y299-D326 WeakPolarHBondContact CE1-OD1 3.27Å; Y299-D326 VanDerWaalsContact CZ-OD1 3.27Å; Y299-D326 PolarHBondContact OH-OD1 3Å; Y299-D326 PolarHBondContact OH-OD2 3.28Å; D326-I355 HydrophobicContact CB-CB 4.15Å; D326-I355 HydrophobicContact CB-CD1 4.22Å; D326-R357 IonicContact OD1-CZ 2.67Å; D326-R357 IonicContact OD1-NE 3.73Å; D326-R357 PolarHBondContact OD1-NE 3.06Å; D326-R357 VanDerWaalsContact OD1-NE 3.1Å; D326-R357 IonicContact OD1-NH2 2.7Å; D326-R357 IonicContact OD2-CZ 3.1Å; D326-R357 IonicContact OD2-NE 2.76Å; D326-R357 PolarHBondContact OD2-NE 3.18Å; D326-R357 IonicContact OD2-NH2 3.12Å; D326-R357 PolarHBondContact OD2-NH2 2.8Å
327A95.4Very high96.2Very high2 Ų227.7 Ų27.72%0.01715%0.153CC..EExtended strand (participates in β ladder)trans-116.7154.9-175.400000110.7K298 A317 Q325 I355 Y356 R357K298-A327 WeakPolarHBondContact O-CA 3.45Å; A317-A327 HydrophobicContact CB-CB 4.36Å; Q325-A327 PolarHBondContact O-N 2.9Å; A327-I355 PolarHBondContact N-O 3.47Å; A327-Y356 CarbonylContact O-C 3.48Å; A327-Y356 VanDerWaalsContact O-CA 3.26Å; A327-Y356 WeakPolarHBondContact O-CA 2.98Å; A327-R357 PolarHBondContact O-N 2.91Å
328G95.5Very high96.4Very high1 Ų127.6 Ų27.61%0.0115%0.152CC..EExtended strand (participates in β ladder)trans172.3-152.2173.900000111.6K298 P300 R357K298-G328 PolarHBondContact O-N 3.34Å; K298-G328 VanDerWaalsContact O-N 3.11Å; P300-G328 WeakPolarHBondContact CD-O 3.26Å; G328-R357 WeakPolarHBondContact CA-O 3.32Å
329A98Very high96.7Very high0 Ų028.4 Ų28.40%016%0.158CC..EExtended strand (participates in β ladder)trans-150.7157-174.600000112.3P300 T313 I342 R357 G358 I359P300-A329 CarbonylContact O-C 3.59Å; P300-A329 WeakPolarHBondContact O-CA 3.28Å; T313-A329 HydrophobicContact CG2-CB 3.77Å; A329-I342 HydrophobicContact CB-CD1 3.93Å; A329-I342 HydrophobicContact CB-CG1 3.97Å; A329-I342 HydrophobicContact CB-CG2 4.02Å; A329-R357 PolarHBondContact N-O 3.3Å; A329-G358 CarbonylContact O-C 3.51Å; A329-G358 VanDerWaalsContact O-CA 3.28Å; A329-G358 WeakPolarHBondContact O-CA 3.31Å; A329-I359 PolarHBondContact O-N 3.43Å
330K98.3Very high96.9Very high54 Ų5428.6 Ų28.624%0.23516%0.16CC..EExtended strand (participates in β ladder)trans-126.2121.7175.3-58.1-178.3-179.3175.70110.5P300 N301 C302 I332 I359P300-K330 PolarHBondContact O-N 3.08Å; N301-K330 CarbonylContact C-O 3.3Å; N301-K330 VanDerWaalsContact CA-O 3.26Å; N301-K330 WeakPolarHBondContact CA-O 3.37Å; N301-K330 HydrophobicContact CB-CB 3.91Å; N301-K330 PolarHBondContact OD1-O 2.82Å; C302-K330 PolarHBondContact N-O 3.44Å; K330-I332 HydrophobicContact CB-CD1 4.48Å; K330-I359 CarbonylContact C-O 3.56Å; K330-I359 VanDerWaalsContact CA-O 3.27Å; K330-I359 WeakPolarHBondContact CA-O 3.33Å; K330-I359 HydrophobicContact CB-CB 4.42Å; K330-I359 HydrophobicContact CD-CD1 4.15Å; K330-I359 HydrophobicContact CG-CB 4.07Å; K330-I359 HydrophobicContact CG-CD1 4.42Å; K330-I359 HydrophobicContact CG-CG1 4.3Å
331M98.6Very high97.1Very high0 Ų031.6 Ų31.60%018%0.178CC..EExtended strand (participates in β ladder)trans-116.5108.1177.5-61.9-63.9178.800109.4C302 T313 I342 I359 V360 H361C302-M331 HydrophobicContact CB-SD 3.67Å; T313-M331 WeakPolarHBondContact OG1-CE 3.2Å; M331-I342 HydrophobicContact CE-CG1 3.86Å; M331-I342 HydrophobicContact CG-CD1 3.76Å; M331-I342 HydrophobicContact CG-CG1 3.82Å; M331-I359 PolarHBondContact N-O 2.87Å; M331-V360 HydrophobicContact CB-CG1 4.45Å; M331-V360 HydrophobicContact CB-CG2 4.27Å; M331-V360 WeakPolarHBondContact O-CA 3.35Å; M331-H361 PolarHBondContact O-N 2.81Å
332I98.7Very high97.4Very high25 Ų2523.6 Ų23.613%0.12814%0.143CC..EExtended strand (participates in β ladder)trans-110.896-173.6-46-59.6000109.4C302 V303 L304 K330 K334 I359 H361C302-I332 PolarHBondContact O-N 2.59Å; V303-I332 HydrophobicContact CG1-CB 4.28Å; V303-I332 HydrophobicContact CG1-CG2 4.36Å; V303-I332 HydrophobicContact CG2-CB 4.4Å; V303-I332 HydrophobicContact CG2-CG1 4.44Å; L304-I332 PolarHBondContact N-O 3.31Å; K330-I332 HydrophobicContact CB-CD1 4.48Å; I332-K334 HydrophobicContact CG2-CD 4.08Å; I332-K334 VanDerWaalsContact CG2-CE 3.46Å; I332-K334 HydrophobicContact CG2-CG 4.11Å; I332-K334 PolarHBondContact O-N 2.7Å; I332-I359 HydrophobicContact CD1-CG2 4.29Å; I332-H361 HydrophobicContact CD1-CB 3.7Å; I332-H361 HydrophobicContact CG2-CB 4.23Å
333H98.8Very high97.7Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-78.6110.1178.1-64.7-105000110.7T338 S340 H361 F362 G363 A366 A369 R370H333-T338 WeakPolarHBondContact ND1-CB 3.47Å; H333-T338 PolarHBondContact ND1-OG1 3.41Å; H333-S340 PolarHBondContact CE1-OG 2.96Å; H333-S340 WeakPolarHBondContact NE2-CB 3.22Å; H333-S340 PolarHBondContact NE2-OG 2.72Å; H333-H361 WeakPolarHBondContact CB-O 2.96Å; H333-H361 PolarHBondContact N-O 2.85Å; H333-F362 HydrophobicContact CB-CD1 3.82Å; H333-F362 HydrophobicContact CB-CE1 4.31Å; H333-F362 AromaticContact CD2-CE1 3.84Å; H333-F362 AromaticContact CG-CD1 3.84Å; H333-F362 AromaticContact CG-CE1 3.82Å; H333-G363 PolarHBondContact O-N 2.93Å; H333-A366 HydrophobicContact CB-CB 3.97Å; H333-A369 HydrophobicContact CB-CB 4.29Å; H333-R370 PolarHBondContact CE1-O 3.05Å; H333-R370 VanDerWaalsContact CE1-O 3.25Å
334K98.4Very high97.7Very high89 Ų8922 Ų2239%0.38712%0.121SC..  trans-112.3-9.5179.3-64.1-59.4-166.3-170.30114.2V303 L304 L305 I332 H361V303-K334 HydrophobicContact CG1-CG 4.21Å; L304-K334 WeakPolarHBondContact O-CA 3.19Å; L304-K334 WeakPolarHBondContact O-CB 3.32Å; L304-K334 PolarHBondContact O-N 3.05Å; L305-K334 HydrophobicContact CD2-CB 4.22Å; L305-K334 HydrophobicContact CD2-CG 4.25Å; I332-K334 HydrophobicContact CG2-CD 4.08Å; I332-K334 VanDerWaalsContact CG2-CE 3.46Å; I332-K334 HydrophobicContact CG2-CG 4.11Å; I332-K334 PolarHBondContact O-N 2.7Å; K334-H361 PolarHBondContact NZ-CD2 3.19Å; K334-H361 PolarHBondContact NZ-NE2 3.29Å
335A98.7Very high97.6Very high7 Ų721 Ų216%0.05811%0.114CC..SBendtrans-131163.1-176.700000113.2L304 L305 G306 T338 K365 A366L304-A335 PolarHBondContact O-N 2.94Å; L305-A335 WeakPolarHBondContact O-CB 3.37Å; G306-A335 VanDerWaalsContact O-CB 3.28Å; G306-A335 WeakPolarHBondContact O-CB 3.46Å; A335-T338 HydrophobicContact CB-CG2 4.09Å; A335-T338 VanDerWaalsContact O-CG2 3.28Å; A335-T338 WeakPolarHBondContact O-CG2 3.39Å; A335-T338 PolarHBondContact O-OG1 2.87Å; A335-K365 CarbonylContact C-O 3.59Å; A335-A366 WeakPolarHBondContact O-CA 3.31Å
336P98.6Very high97.5Very high45 Ų4521.2 Ų21.229%0.29212%0.115SC..THydrogen-bonded Turntrans-61.2154.8178.4-22.733.8000113.5E307 G308 T338 K365 K367E307-P336 WeakPolarHBondContact CA-O 3.29Å; E307-P336 HydrophobicContact CG-CB 4.37Å; G308-P336 PolarHBondContact N-O 2.79Å; G308-P336 VanDerWaalsContact N-O 3.1Å; P336-T338 PolarHBondContact O-N 2.93Å; P336-K365 WeakPolarHBondContact CD-O 3.42Å; P336-K365 WeakPolarHBondContact CG-O 3.46Å; P336-K367 CarbonylContact C-O 3.48Å; P336-K367 WeakPolarHBondContact CA-O 3.42Å
337N98.6Very high97.4Very high87 Ų8721.2 Ų21.247%0.46512%0.115SC..THydrogen-bonded Turntrans55.823170.8-55.4-44.4000114.6E307 G308 K367E307-N337 HydrophobicContact CG-CB 4.4Å; E307-N337 PolarHBondContact OE1-ND2 2.79Å; G308-N337 WeakPolarHBondContact CA-O 3.4Å; N337-K367 PolarHBondContact N-O 2.97Å
338T98.8Very high97.4Very high0 Ų021.1 Ų21.10%012%0.115CC..  trans-79145.3178.447.20000111L304 G306 A309 H333 A335 P336 A369 R370L304-T338 HydrophobicContact CB-CG2 3.82Å; G306-T338 WeakPolarHBondContact O-CG2 3.38Å; A309-T338 HydrophobicContact CB-CG2 4.04Å; A309-T338 VanDerWaalsContact O-CA 3.25Å; A309-T338 WeakPolarHBondContact O-CA 3.39Å; A309-T338 WeakPolarHBondContact O-CB 3.22Å; H333-T338 WeakPolarHBondContact ND1-CB 3.47Å; H333-T338 PolarHBondContact ND1-OG1 3.41Å; A335-T338 HydrophobicContact CB-CG2 4.09Å; A335-T338 VanDerWaalsContact O-CG2 3.28Å; A335-T338 WeakPolarHBondContact O-CG2 3.39Å; A335-T338 PolarHBondContact O-OG1 2.87Å; P336-T338 PolarHBondContact O-N 2.93Å; T338-A369 CarbonylContact O-C 3.59Å; T338-A369 WeakPolarHBondContact O-CA 3.41Å; T338-A369 WeakPolarHBondContact OG1-CB 3.34Å; T338-R370 PolarHBondContact O-N 3.08Å
339S98.8Very high97.2Very high17 Ų1721.8 Ų21.812%0.11912%0.117CC..EExtended strand (participates in β ladder)trans-131.4141.1179.864.20000113.3A309 K310 G311 R370A309-S339 PolarHBondContact O-N 2.86Å; K310-S339 VanDerWaalsContact CA-O 3.26Å; K310-S339 WeakPolarHBondContact CA-O 3.32Å; K310-S339 WeakPolarHBondContact CG-OG 3.3Å; G311-S339 PolarHBondContact N-O 2.98Å; S339-R370 CarbonylContact C-O 3.54Å; S339-R370 VanDerWaalsContact CA-O 3.28Å; S339-R370 WeakPolarHBondContact CA-O 3.49Å
340S98.7Very high96.9Very high5 Ų524.5 Ų24.54%0.03513%0.131CC..EExtended strand (participates in β ladder)trans-137.2155.4173.864.30000114.7G311 H333 R370 S371 N372G311-S340 CarbonylContact O-C 3.55Å; G311-S340 WeakPolarHBondContact O-CA 3.34Å; G311-S340 VanDerWaalsContact O-CB 3.24Å; G311-S340 WeakPolarHBondContact O-CB 3.4Å; H333-S340 PolarHBondContact CE1-OG 2.96Å; H333-S340 WeakPolarHBondContact NE2-CB 3.22Å; H333-S340 PolarHBondContact NE2-OG 2.72Å; S340-R370 PolarHBondContact N-O 3.43Å; S340-S371 VanDerWaalsContact O-CA 3.3Å; S340-S371 WeakPolarHBondContact O-CA 3.12Å; S340-S371 VanDerWaalsContact OG-CB 3.24Å; S340-S371 WeakPolarHBondContact OG-CB 3.12Å; S340-S371 PolarHBondContact OG-OG 3.23Å; S340-N372 PolarHBondContact O-N 3.25Å; S340-N372 VanDerWaalsContact O-N 3.09Å
341T98.2Very high96.6Very high64 Ų6423.5 Ų23.539%0.39314%0.137SC..EExtended strand (participates in β ladder)trans-135.7132.5173.5-580000109.5G311 S312 T313 V343 N372G311-T341 PolarHBondContact O-N 3.48Å; G311-T341 VanDerWaalsContact O-N 3.1Å; S312-T341 CarbonylContact C-O 3.58Å; S312-T341 VanDerWaalsContact CA-O 3.26Å; S312-T341 WeakPolarHBondContact CA-O 3.42Å; T313-T341 PolarHBondContact N-O 3.43Å; T341-V343 HydrophobicContact CG2-CG2 4.04Å; T341-N372 CarbonylContact C-O 3.54Å; T341-N372 VanDerWaalsContact CA-O 3.25Å; T341-N372 WeakPolarHBondContact CA-O 3.22Å
342I97.8Very high96.4Very high1 Ų123.5 Ų23.51%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-121.2119.9169.7-59.4167000107.7T313 A329 M331 Y356 V360 N372 I373 E374T313-I342 CarbonylContact O-C 3.57Å; T313-I342 WeakPolarHBondContact O-CA 3.41Å; A329-I342 HydrophobicContact CB-CD1 3.93Å; A329-I342 HydrophobicContact CB-CG1 3.97Å; A329-I342 HydrophobicContact CB-CG2 4.02Å; M331-I342 HydrophobicContact CE-CG1 3.86Å; M331-I342 HydrophobicContact CG-CD1 3.76Å; M331-I342 HydrophobicContact CG-CG1 3.82Å; I342-Y356 HydrophobicContact CG2-CE2 4.02Å; I342-V360 HydrophobicContact CD1-CG2 3.88Å; I342-N372 PolarHBondContact N-O 2.75Å; I342-I373 HydrophobicContact CB-CB 4.45Å; I342-I373 HydrophobicContact CB-CG1 4.2Å; I342-I373 HydrophobicContact CB-CG2 4.08Å; I342-I373 HydrophobicContact CD1-CG1 4.04Å; I342-I373 HydrophobicContact CG1-CG1 4.44Å; I342-I373 HydrophobicContact CG2-CG2 4.34Å; I342-I373 CarbonylContact O-C 3.59Å; I342-I373 VanDerWaalsContact O-CA 3.3Å; I342-I373 WeakPolarHBondContact O-CA 3.49Å; I342-E374 PolarHBondContact O-N 3.26Å
343V96.1Very high96.3Very high27 Ų2725.5 Ų25.516%0.16415%0.145CC..EExtended strand (participates in β ladder)trans-116.1117.1168.9179.80000107.1T313 L314 S315 T341 K345 E374T313-V343 PolarHBondContact O-N 2.93Å; L314-V343 CarbonylContact C-O 3.51Å; L314-V343 VanDerWaalsContact CA-O 3.32Å; L314-V343 WeakPolarHBondContact CA-O 3.4Å; L314-V343 HydrophobicContact CD1-CB 3.57Å; L314-V343 HydrophobicContact CD1-CG1 3.5Å; L314-V343 VanDerWaalsContact CD1-CG1 3.5Å; S315-V343 PolarHBondContact N-O 2.76Å; T341-V343 HydrophobicContact CG2-CG2 4.04Å; V343-K345 HydrophobicContact CG1-CG 4.39Å; V343-E374 CarbonylContact C-O 3.58Å; V343-E374 WeakPolarHBondContact CA-O 3.33Å
344S95.6Very high96.2Very high3 Ų325.5 Ų25.52%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-119.2125.9176.8-176.20000109.6S315 Y356 E374 C375 D376S315-S344 CarbonylContact O-C 3.47Å; S315-S344 WeakPolarHBondContact O-CA 3.16Å; S344-Y356 VanDerWaalsContact CB-CD2 3.5Å; S344-Y356 WeakPolarHBondContact OG-CD2 3.39Å; S344-E374 PolarHBondContact N-O 3.1Å; S344-C375 CarbonylContact O-C 3.53Å; S344-C375 WeakPolarHBondContact O-CA 3.36Å; S344-D376 PolarHBondContact O-N 2.96Å
345K94.6Very high96.1Very high14 Ų1421.6 Ų21.66%0.06113%0.128CC..EExtended strand (participates in β ladder)trans-122.7118.2175.9-61.8-160.4-176-66.20109.7S315 I316 A317 V343 E374 D376 F436S315-K345 PolarHBondContact O-N 2.71Å; I316-K345 WeakPolarHBondContact CA-O 3.32Å; I316-K345 HydrophobicContact CG1-CB 4.28Å; A317-K345 PolarHBondContact N-O 3.37Å; V343-K345 HydrophobicContact CG1-CG 4.39Å; K345-E374 IonicContact NZ-OE1 2.7Å; K345-E374 PolarHBondContact NZ-OE1 2.91Å; K345-D376 CarbonylContact C-O 3.39Å; K345-D376 WeakPolarHBondContact CA-O 3.42Å; K345-D376 HydrophobicContact CG-CB 4.42Å; K345-D376 IonicContact NZ-OD2 2.61Å; K345-D376 PolarHBondContact NZ-OD2 3Å; K345-F436 HydrophobicContact CB-CD1 4.45Å; K345-F436 HydrophobicContact CB-CE1 3.72Å; K345-F436 HydrophobicContact CB-CZ 4Å; K345-F436 HydrophobicContact CD-CZ 4.49Å; K345-F436 WeakPolarHBondContact CD-O 3.23Å; K345-F436 HydrophobicContact CG-CE1 4.49Å; K345-F436 HydrophobicContact CG-CZ 4.42Å
346S95.2Very high96Very high4 Ų421.4 Ų21.43%0.02813%0.126CC..EExtended strand (participates in β ladder)trans-118.7145.2-175.3-60.90000111.8A317 D376 T377 L378 F436A317-S346 CarbonylContact O-C 3.45Å; A317-S346 VanDerWaalsContact O-CA 3.29Å; A317-S346 WeakPolarHBondContact O-CA 3.35Å; S346-D376 PolarHBondContact N-O 2.88Å; S346-T377 CarbonylContact O-C 3.56Å; S346-T377 VanDerWaalsContact O-CA 3.31Å; S346-T377 WeakPolarHBondContact O-CA 3.02Å; S346-L378 PolarHBondContact O-N 3.45Å; S346-F436 WeakPolarHBondContact O-CE1 3.09Å
347I94.3Very high95.9Very high1 Ų121 Ų211%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-128.7133.1175.6-58.2158.2000108.4A317 F318 A319 V354 L378 L380 V433 F436 I437A317-I347 PolarHBondContact O-N 3.15Å; F318-I347 WeakPolarHBondContact CA-O 3.38Å; F318-I347 HydrophobicContact CD2-CB 3.64Å; F318-I347 HydrophobicContact CD2-CD1 3.95Å; F318-I347 HydrophobicContact CD2-CG1 4.43Å; F318-I347 HydrophobicContact CD2-CG2 3.69Å; F318-I347 HydrophobicContact CE2-CB 4.03Å; F318-I347 HydrophobicContact CE2-CD1 4.41Å; F318-I347 HydrophobicContact CE2-CG2 3.51Å; F318-I347 HydrophobicContact CG-CB 4.42Å; F318-I347 HydrophobicContact CZ-CG2 4.35Å; A319-I347 PolarHBondContact N-O 2.95Å; I347-V354 VanDerWaalsContact O-CG1 3.28Å; I347-V354 WeakPolarHBondContact O-CG1 3.36Å; I347-L378 VanDerWaalsContact CA-O 3.32Å; I347-L378 WeakPolarHBondContact CA-O 3.4Å; I347-L378 HydrophobicContact CG1-CB 4.4Å; I347-L380 HydrophobicContact CG2-CD1 3.82Å; I347-L380 HydrophobicContact CG2-CD2 4.43Å; I347-L380 HydrophobicContact CG2-CG 3.95Å; I347-V433 HydrophobicContact CD1-CG1 3.64Å; I347-F436 HydrophobicContact CD1-CD1 4.18Å; I347-F436 HydrophobicContact CG1-CD1 3.93Å; I347-F436 HydrophobicContact CG1-CE1 3.94Å; I347-I437 HydrophobicContact CD1-CG2 3.57Å
348S94.5Very high95.9Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-129.7134.5176.960.10000111.1A319 L378 L380A319-S348 WeakPolarHBondContact O-CA 3.25Å; S348-L378 PolarHBondContact N-O 2.93Å; S348-L380 PolarHBondContact O-N 2.88Å
349K92Very high95.8Very high14 Ų1419.1 Ų19.16%0.06111%0.109CC..  trans-146.2163.2-179.572.8152.2-165.1164.30113.1F318 A319 G320 G351 G352 L380 D381 S384 E459 S463F318-K349 HydrophobicContact CE1-CD 3.95Å; F318-K349 HydrophobicContact CE1-CG 3.73Å; F318-K349 HydrophobicContact CZ-CD 3.68Å; F318-K349 HydrophobicContact CZ-CG 3.68Å; A319-K349 PolarHBondContact O-N 3.39Å; G320-K349 CarbonylContact C-O 3.45Å; G320-K349 VanDerWaalsContact CA-O 3.29Å; G320-K349 WeakPolarHBondContact CA-O 3.42Å; K349-G351 PolarHBondContact O-N 3.19Å; K349-G352 WeakPolarHBondContact O-CA 3.47Å; K349-G352 PolarHBondContact O-N 3.35Å; K349-L380 HydrophobicContact CB-CB 4.05Å; K349-L380 HydrophobicContact CB-CD1 4.05Å; K349-L380 HydrophobicContact CB-CG 4.36Å; K349-D381 VanDerWaalsContact CA-OD2 3.24Å; K349-D381 WeakPolarHBondContact CA-OD2 3.42Å; K349-S384 WeakPolarHBondContact CA-OG 3.1Å; K349-S384 PolarHBondContact N-OG 3.43Å; K349-S384 PolarHBondContact O-OG 2.73Å; K349-E459 WeakPolarHBondContact CD-O 3.19Å; K349-E459 WeakPolarHBondContact CE-O 3.33Å; K349-E459 PolarHBondContact NZ-O 3.09Å; K349-S463 VanDerWaalsContact CD-OG 3.3Å; K349-S463 WeakPolarHBondContact CD-OG 3.4Å; K349-S463 PolarHBondContact NZ-OG 3.25Å
350N91.2Very high95.8Very high57 Ų5718.4 Ų18.431%0.30510%0.103SC..THydrogen-bonded Turntrans43.942.8177.7-65.5-9.5000114K321 G352 D381 S384K321-N350 VanDerWaalsContact CA-O 3.24Å; K321-N350 WeakPolarHBondContact CA-O 3.49Å; K321-N350 HydrophobicContact CB-CB 4.19Å; K321-N350 WeakPolarHBondContact CB-O 3.46Å; N350-G352 VanDerWaalsContact C-N 3.35Å; N350-D381 WeakPolarHBondContact CA-OD2 3.4Å; N350-D381 PolarHBondContact N-OD2 2.83Å; N350-S384 PolarHBondContact N-OG 3.45Å
351G93.1Very high95.8Very high34 Ų3419.1 Ų19.135%0.35111%0.106SC..THydrogen-bonded Turntrans80.412.6-177.400000114.5K349 S384K349-G351 PolarHBondContact O-N 3.19Å; G351-S384 PolarHBondContact N-OG 3.04Å
352G94.7Very high95.8Very high0 Ų016 Ų160%09%0.087CC..  trans-68.9153.3175.400000112.8G320 K349 N350 S384 T385G320-G352 WeakPolarHBondContact O-CA 3.4Å; K349-G352 WeakPolarHBondContact O-CA 3.47Å; K349-G352 PolarHBondContact O-N 3.35Å; N350-G352 VanDerWaalsContact C-N 3.35Å; G352-S384 PolarHBondContact N-OG 2.59Å; G352-S384 WeakPolarHBondContact O-CA 3.22Å; G352-S384 WeakPolarHBondContact O-CB 2.71Å; G352-T385 PolarHBondContact O-N 3.4Å
353K96.2Very high95.8Very high66 Ų6616.3 Ų16.329%0.2879%0.09SC..EExtended strand (participates in β ladder)trans-120.6123.8-179.5-177.5169.6-171.2-179.80111.2A319 Q323 V324 Q325 I355 T385 D387A319-K353 VanDerWaalsContact CB-O 3.31Å; A319-K353 WeakPolarHBondContact CB-O 3.33Å; Q323-K353 PolarHBondContact O-N 2.81Å; V324-K353 CarbonylContact C-O 3.53Å; V324-K353 WeakPolarHBondContact CA-O 3.36Å; V324-K353 HydrophobicContact CG1-CG 4.48Å; V324-K353 HydrophobicContact CG2-CB 4.27Å; Q325-K353 PolarHBondContact N-O 2.71Å; K353-I355 HydrophobicContact CD-CD1 4.24Å; K353-I355 HydrophobicContact CD-CG1 4.33Å; K353-I355 HydrophobicContact CG-CD1 4.48Å; K353-I355 HydrophobicContact CG-CG1 4.13Å; K353-T385 WeakPolarHBondContact CA-O 3.34Å; K353-T385 WeakPolarHBondContact CG-OG1 3.06Å; K353-D387 WeakPolarHBondContact CE-OD2 3.26Å; K353-D387 IonicContact NZ-OD2 2.66Å; K353-D387 PolarHBondContact NZ-OD2 2.89Å
354V96.7Very high95.9Very high0 Ų024.9 Ų24.90%012%0.12CC..EExtended strand (participates in β ladder)trans-108.8139.9169.1-64.90000109.8A319 Q325 I347 T377 T385 S386 D387A319-V354 HydrophobicContact CB-CG1 3.58Å; Q325-V354 HydrophobicContact CB-CG1 4.31Å; I347-V354 VanDerWaalsContact O-CG1 3.28Å; I347-V354 WeakPolarHBondContact O-CG1 3.36Å; V354-T377 HydrophobicContact CG2-CG2 3.85Å; V354-T385 PolarHBondContact N-O 2.78Å; V354-S386 VanDerWaalsContact O-CA 3.27Å; V354-S386 WeakPolarHBondContact O-CA 3.05Å; V354-D387 PolarHBondContact O-N 3.22Å
355I96.5Very high96Very high7 Ų732.5 Ų32.54%0.03615%0.152CC..EExtended strand (participates in β ladder)trans-131.9114.3176.7-55.1168.1000106.5V324 Q325 D326 A327 K353 D387 I389V324-I355 HydrophobicContact CG1-CD1 4.02Å; Q325-I355 PolarHBondContact O-N 3.32Å; D326-I355 HydrophobicContact CB-CB 4.15Å; D326-I355 HydrophobicContact CB-CD1 4.22Å; A327-I355 PolarHBondContact N-O 3.47Å; K353-I355 HydrophobicContact CD-CD1 4.24Å; K353-I355 HydrophobicContact CD-CG1 4.33Å; K353-I355 HydrophobicContact CG-CD1 4.48Å; K353-I355 HydrophobicContact CG-CG1 4.13Å; I355-D387 CarbonylContact C-O 3.57Å; I355-D387 VanDerWaalsContact CA-O 3.26Å; I355-D387 WeakPolarHBondContact CA-O 3.31Å; I355-D387 HydrophobicContact CG1-CB 4.21Å; I355-D387 HydrophobicContact CG2-CB 4.18Å; I355-I389 HydrophobicContact CG2-CD1 3.82Å; I355-I389 HydrophobicContact CG2-CG1 4.3Å
356Y96.7Very high96.2Very high4 Ų431.8 Ų31.82%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-81.6127.5163.8170-96.4000109.4A327 I342 S344 I373 C375 D387 T388 I389A327-Y356 CarbonylContact O-C 3.48Å; A327-Y356 VanDerWaalsContact O-CA 3.26Å; A327-Y356 WeakPolarHBondContact O-CA 2.98Å; I342-Y356 HydrophobicContact CG2-CE2 4.02Å; S344-Y356 VanDerWaalsContact CB-CD2 3.5Å; S344-Y356 WeakPolarHBondContact OG-CD2 3.39Å; Y356-I373 WeakPolarHBondContact OH-CG2 3.3Å; Y356-C375 HydrophobicContact CD1-CB 4.47Å; Y356-C375 WeakPolarHBondContact CE1-SG 3.39Å; Y356-D387 PolarHBondContact N-O 3.4Å; Y356-T388 HydrophobicContact CD1-CG2 3.61Å; Y356-T388 HydrophobicContact CE1-CG2 4.39Å; Y356-T388 HydrophobicContact CG-CG2 4.35Å; Y356-I389 PolarHBondContact O-N 2.94Å
357R96.6Very high96.3Very high37 Ų3737 Ų3714%0.1417%0.172CC..EExtended strand (participates in β ladder)trans-129.8107.8173.5-171.5-179.3-56-74.1-1.5112Y299 D326 A327 G328 A329Y299-R357 HydrophobicContact CD1-CB 4.19Å; Y299-R357 HydrophobicContact CE1-CB 3.71Å; Y299-R357 HydrophobicContact CE1-CG 4.2Å; D326-R357 IonicContact OD1-CZ 2.67Å; D326-R357 IonicContact OD1-NE 3.73Å; D326-R357 PolarHBondContact OD1-NE 3.06Å; D326-R357 VanDerWaalsContact OD1-NE 3.1Å; D326-R357 IonicContact OD1-NH2 2.7Å; D326-R357 IonicContact OD2-CZ 3.1Å; D326-R357 IonicContact OD2-NE 2.76Å; D326-R357 PolarHBondContact OD2-NE 3.18Å; D326-R357 IonicContact OD2-NH2 3.12Å; D326-R357 PolarHBondContact OD2-NH2 2.8Å; A327-R357 PolarHBondContact O-N 2.91Å; G328-R357 WeakPolarHBondContact CA-O 3.32Å; A329-R357 PolarHBondContact N-O 3.3Å
358G96.9Very high96.5Very high3 Ų338.9 Ų38.93%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-113.5142.1-177.400000113.2A329 I389 Y391A329-G358 CarbonylContact O-C 3.51Å; A329-G358 VanDerWaalsContact O-CA 3.28Å; A329-G358 WeakPolarHBondContact O-CA 3.31Å; G358-I389 PolarHBondContact N-O 2.97Å; G358-Y391 PolarHBondContact O-N 2.54Å
359I97.6Very high96.7Very high44 Ų4438.9 Ų38.923%0.22619%0.191CC..EExtended strand (participates in β ladder)trans-123125.8163.1-56.3-179000109.3A329 K330 M331 I332 Y391A329-I359 PolarHBondContact O-N 3.43Å; K330-I359 CarbonylContact C-O 3.56Å; K330-I359 VanDerWaalsContact CA-O 3.27Å; K330-I359 WeakPolarHBondContact CA-O 3.33Å; K330-I359 HydrophobicContact CB-CB 4.42Å; K330-I359 HydrophobicContact CD-CD1 4.15Å; K330-I359 HydrophobicContact CG-CB 4.07Å; K330-I359 HydrophobicContact CG-CD1 4.42Å; K330-I359 HydrophobicContact CG-CG1 4.3Å; M331-I359 PolarHBondContact N-O 2.87Å; I332-I359 HydrophobicContact CD1-CG2 4.29Å; I359-Y391 CarbonylContact C-O 3.54Å; I359-Y391 VanDerWaalsContact CA-O 3.29Å; I359-Y391 WeakPolarHBondContact CA-O 3.49Å
360V98.5Very high97Very high1 Ų145.5 Ų45.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-118.9115.8165.3-176.50000109M331 I342 F362 I373 Y391 N392 E393 L401M331-V360 HydrophobicContact CB-CG1 4.45Å; M331-V360 HydrophobicContact CB-CG2 4.27Å; M331-V360 WeakPolarHBondContact O-CA 3.35Å; I342-V360 HydrophobicContact CD1-CG2 3.88Å; V360-F362 HydrophobicContact CG1-CD2 4.23Å; V360-F362 HydrophobicContact CG1-CE2 3.55Å; V360-F362 HydrophobicContact CG1-CZ 3.96Å; V360-I373 HydrophobicContact CG2-CD1 3.88Å; V360-I373 HydrophobicContact CG2-CG1 3.97Å; V360-Y391 PolarHBondContact N-O 3.45Å; V360-N392 CarbonylContact O-C 3.5Å; V360-N392 WeakPolarHBondContact O-CA 3.08Å; V360-E393 PolarHBondContact O-N 3.46Å; V360-L401 HydrophobicContact CG1-CD1 4.22Å
361H98.5Very high97.4Very high20 Ų2043.1 Ų43.19%0.09320%0.203CC..EExtended strand (participates in β ladder)trans-116.2121.6-176.7173.897000110.7M331 I332 H333 K334 E393 F395M331-H361 PolarHBondContact O-N 2.81Å; I332-H361 HydrophobicContact CD1-CB 3.7Å; I332-H361 HydrophobicContact CG2-CB 4.23Å; H333-H361 WeakPolarHBondContact CB-O 2.96Å; H333-H361 PolarHBondContact N-O 2.85Å; K334-H361 PolarHBondContact NZ-CD2 3.19Å; K334-H361 PolarHBondContact NZ-NE2 3.29Å; H361-E393 CarbonylContact C-O 3.57Å; H361-E393 WeakPolarHBondContact CA-O 3.5Å; H361-E393 HydrophobicContact CB-CB 4.35Å; H361-E393 IonicContact CE1-OE2 3.32Å; H361-E393 IonicContact CG-OE2 2.61Å; H361-E393 IonicContact ND1-OE2 2.68Å; H361-E393 PolarHBondContact ND1-OE2 3.19Å; H361-F395 AromaticContact CE1-CD2 3.54Å; H361-F395 AromaticContact CE1-CE2 3.46Å; H361-F395 VanDerWaalsContact CE1-CE2 3.46Å; H361-F395 WeakPolarHBondContact CE1-CE2 3.42Å; H361-F395 AromaticContact ND1-CE2 3.8Å
362F98.7Very high97.6Very high0 Ų044.2 Ų44.20%020%0.201CC..EExtended strand (participates in β ladder)trans-102.8106.7170.3-63.5-87.2000110.1H333 V360 A366 A369 E393 V394 F395 I399 L401H333-F362 HydrophobicContact CB-CD1 3.82Å; H333-F362 HydrophobicContact CB-CE1 4.31Å; H333-F362 AromaticContact CD2-CE1 3.84Å; H333-F362 AromaticContact CG-CD1 3.84Å; H333-F362 AromaticContact CG-CE1 3.82Å; V360-F362 HydrophobicContact CG1-CD2 4.23Å; V360-F362 HydrophobicContact CG1-CE2 3.55Å; V360-F362 HydrophobicContact CG1-CZ 3.96Å; F362-A366 HydrophobicContact CB-CB 4.3Å; F362-A366 HydrophobicContact CD1-CB 4.28Å; F362-A369 HydrophobicContact CD1-CB 3.65Å; F362-A369 HydrophobicContact CE1-CB 3.65Å; F362-E393 PolarHBondContact N-O 3.12Å; F362-V394 HydrophobicContact CD2-CG2 4.11Å; F362-F395 WeakPolarHBondContact O-CA 3.27Å; F362-F395 VanDerWaalsContact O-CB 3.28Å; F362-F395 WeakPolarHBondContact O-CB 3.18Å; F362-F395 PolarHBondContact O-N 3.29Å; F362-I399 HydrophobicContact CB-CG2 4.29Å; F362-I399 HydrophobicContact CD1-CB 4.03Å; F362-I399 HydrophobicContact CD1-CG1 4.46Å; F362-I399 HydrophobicContact CD1-CG2 3.71Å; F362-I399 HydrophobicContact CD2-CD1 4.38Å; F362-I399 HydrophobicContact CD2-CG1 4.49Å; F362-I399 HydrophobicContact CE1-CB 4.15Å; F362-I399 HydrophobicContact CE1-CG2 4.26Å; F362-I399 HydrophobicContact CE2-CD1 4.27Å; F362-I399 HydrophobicContact CG-CB 4.38Å; F362-I399 HydrophobicContact CG-CG1 4.33Å; F362-I399 HydrophobicContact CG-CG2 4.11Å; F362-I399 HydrophobicContact CZ-CD1 4.47Å; F362-L401 HydrophobicContact CE2-CB 4.11Å; F362-L401 HydrophobicContact CE2-CD1 4.07Å; F362-L401 HydrophobicContact CE2-CD2 4.23Å; F362-L401 HydrophobicContact CE2-CG 4.37Å; F362-L401 HydrophobicContact CZ-CB 4.4Å; F362-L401 HydrophobicContact CZ-CD1 4.44Å
363G98.2Very high97.8Very high7 Ų744.2 Ų44.27%0.07220%0.201CC..  trans-69.8164.817400000112.3H333 K365 A366H333-G363 PolarHBondContact O-N 2.93Å; G363-K365 PolarHBondContact O-N 3.23Å; G363-A366 WeakPolarHBondContact O-CB 3.4Å; G363-A366 PolarHBondContact O-N 3.07Å
364R98.2Very high97.8Very high206 Ų20644.3 Ų44.378%0.77720%0.203SC*.THydrogen-bonded Turntrans-56.6-24.3-177.8-63.3-178.8-176.6-178.80.9115.1F395 N396R364-F395 WeakPolarHBondContact CA-O 3.24Å; R364-F395 HydrophobicContact CG-CB 4Å; R364-N396 PolarHBondContact O-ND2 3.17Å
365K97.7Very high97.7Very high163 Ų16344.5 Ų44.571%0.70920%0.204SC*.THydrogen-bonded Turntrans-91.6-1178.9-64.7-177.2179.9-178.30113.6A335 P336 G363 K367A335-K365 CarbonylContact C-O 3.59Å; P336-K365 WeakPolarHBondContact CD-O 3.42Å; P336-K365 WeakPolarHBondContact CG-O 3.46Å; G363-K365 PolarHBondContact O-N 3.23Å; K365-K367 PolarHBondContact O-N 3.28Å
366A98.1Very high97.6Very high0 Ų045.5 Ų45.50%021%0.209CC..  trans-78.644.2-174.300000113.4H333 A335 F362 G363 G368 A369 I399H333-A366 HydrophobicContact CB-CB 3.97Å; A335-A366 WeakPolarHBondContact O-CA 3.31Å; F362-A366 HydrophobicContact CB-CB 4.3Å; F362-A366 HydrophobicContact CD1-CB 4.28Å; G363-A366 WeakPolarHBondContact O-CB 3.4Å; G363-A366 PolarHBondContact O-N 3.07Å; A366-G368 PolarHBondContact O-N 2.84Å; A366-A369 HydrophobicContact CB-CB 3.85Å; A366-A369 WeakPolarHBondContact O-CB 3.29Å; A366-A369 PolarHBondContact O-N 3.32Å; A366-I399 VanDerWaalsContact O-CG2 3.24Å; A366-I399 WeakPolarHBondContact O-CG2 3.4Å
367K98.4Very high97.6Very high114 Ų11445.4 Ų45.450%0.49621%0.209SC..THydrogen-bonded Turntrans-63.4131.3178.4175.3176.2179.4169.80110.4P336 N337 K365 A369 Q398P336-K367 CarbonylContact C-O 3.48Å; P336-K367 WeakPolarHBondContact CA-O 3.42Å; N337-K367 PolarHBondContact N-O 2.97Å; K365-K367 PolarHBondContact O-N 3.28Å; K367-A369 PolarHBondContact O-N 3.06Å; K367-Q398 HydrophobicContact CG-CB 4.14Å
368G98.3Very high97.5Very high39 Ų3943.9 Ų43.940%0.40220%0.204SC..THydrogen-bonded Turntrans73.310-178.800000113.7A366 Q398A366-G368 PolarHBondContact O-N 2.84Å; G368-Q398 WeakPolarHBondContact CA-O 3.35Å; G368-Q398 PolarHBondContact N-O 3.09Å
369A98.6Very high97.3Very high1 Ų144.9 Ų44.91%0.00821%0.208CC..  trans-73.5147.9178.900000111.6H333 T338 F362 A366 K367 I399 S400H333-A369 HydrophobicContact CB-CB 4.29Å; T338-A369 CarbonylContact O-C 3.59Å; T338-A369 WeakPolarHBondContact O-CA 3.41Å; T338-A369 WeakPolarHBondContact OG1-CB 3.34Å; F362-A369 HydrophobicContact CD1-CB 3.65Å; F362-A369 HydrophobicContact CE1-CB 3.65Å; A366-A369 HydrophobicContact CB-CB 3.85Å; A366-A369 WeakPolarHBondContact O-CB 3.29Å; A366-A369 PolarHBondContact O-N 3.32Å; K367-A369 PolarHBondContact O-N 3.06Å; A369-I399 HydrophobicContact CB-CG2 4.2Å; A369-I399 CarbonylContact O-C 3.6Å; A369-I399 VanDerWaalsContact O-CA 3.28Å; A369-I399 WeakPolarHBondContact O-CA 3.49Å; A369-I399 WeakPolarHBondContact O-CB 3.2Å; A369-S400 PolarHBondContact O-N 3.48Å
370R98.5Very high97Very high153 Ų15344.1 Ų44.158%0.57720%0.204SC*.EExtended strand (participates in β ladder)trans-135.2144.6-179.764.5-175.3-178.6-177.81.5112.6H333 T338 S339 S340 S400H333-R370 PolarHBondContact CE1-O 3.05Å; H333-R370 VanDerWaalsContact CE1-O 3.25Å; T338-R370 PolarHBondContact O-N 3.08Å; S339-R370 CarbonylContact C-O 3.54Å; S339-R370 VanDerWaalsContact CA-O 3.28Å; S339-R370 WeakPolarHBondContact CA-O 3.49Å; S340-R370 PolarHBondContact N-O 3.43Å; R370-S400 CarbonylContact C-O 3.57Å; R370-S400 WeakPolarHBondContact CA-O 3.44Å
371S98.5Very high96.6Very high6 Ų645.5 Ų45.54%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-142.4139172-168.50000111.1S340 I373 S400 L401 E402S340-S371 VanDerWaalsContact O-CA 3.3Å; S340-S371 WeakPolarHBondContact O-CA 3.12Å; S340-S371 VanDerWaalsContact OG-CB 3.24Å; S340-S371 WeakPolarHBondContact OG-CB 3.12Å; S340-S371 PolarHBondContact OG-OG 3.23Å; S371-I373 WeakPolarHBondContact OG-CD1 3.44Å; S371-S400 PolarHBondContact N-O 3.24Å; S371-L401 WeakPolarHBondContact O-CA 3.28Å; S371-E402 PolarHBondContact O-N 2.78Å
372N98.2Very high96.2Very high57 Ų5751.2 Ų51.231%0.30524%0.243SC..EExtended strand (participates in β ladder)trans-124.5131.2172179-60.1000108.9S340 T341 I342 E402S340-N372 PolarHBondContact O-N 3.25Å; S340-N372 VanDerWaalsContact O-N 3.09Å; T341-N372 CarbonylContact C-O 3.54Å; T341-N372 VanDerWaalsContact CA-O 3.25Å; T341-N372 WeakPolarHBondContact CA-O 3.22Å; I342-N372 PolarHBondContact N-O 2.75Å; N372-E402 WeakPolarHBondContact CA-O 3.24Å; N372-E402 PolarHBondContact ND2-OE2 2.71Å
373I97.8Very high95.9Very high1 Ų158.5 Ų58.51%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-127.9124.4-177.5-55.389.1000108.9I342 Y356 V360 S371 L401 E402 H403 E404I342-I373 HydrophobicContact CB-CB 4.45Å; I342-I373 HydrophobicContact CB-CG1 4.2Å; I342-I373 HydrophobicContact CB-CG2 4.08Å; I342-I373 HydrophobicContact CD1-CG1 4.04Å; I342-I373 HydrophobicContact CG1-CG1 4.44Å; I342-I373 HydrophobicContact CG2-CG2 4.34Å; I342-I373 CarbonylContact O-C 3.59Å; I342-I373 VanDerWaalsContact O-CA 3.3Å; I342-I373 WeakPolarHBondContact O-CA 3.49Å; Y356-I373 WeakPolarHBondContact OH-CG2 3.3Å; V360-I373 HydrophobicContact CG2-CD1 3.88Å; V360-I373 HydrophobicContact CG2-CG1 3.97Å; S371-I373 WeakPolarHBondContact OG-CD1 3.44Å; I373-L401 HydrophobicContact CD1-CD1 3.42Å; I373-L401 VanDerWaalsContact CD1-CD1 3.42Å; I373-E402 WeakPolarHBondContact CD1-O 3.45Å; I373-E402 PolarHBondContact N-O 2.66Å; I373-H403 HydrophobicContact CB-CB 4.39Å; I373-H403 HydrophobicContact CD1-CB 4.48Å; I373-H403 WeakPolarHBondContact O-CA 3.44Å; I373-E404 PolarHBondContact O-N 3.31Å
374E96.4Very high95.8Very high68 Ų6858.6 Ų58.632%0.31828%0.276SS..EExtended strand (participates in β ladder)trans-121.4119.2174.5-175.9-173.713200108.9I342 V343 S344 K345I342-E374 PolarHBondContact O-N 3.26Å; V343-E374 CarbonylContact C-O 3.58Å; V343-E374 WeakPolarHBondContact CA-O 3.33Å; S344-E374 PolarHBondContact N-O 3.1Å; K345-E374 IonicContact NZ-OE1 2.7Å; K345-E374 PolarHBondContact NZ-OE1 2.91Å
375C95.4Very high95.6Very high3 Ų351.8 Ų51.82%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-121.9103.1-179.9-62.20000110.2S344 Y356 T388 E404 A405 K406S344-C375 CarbonylContact O-C 3.53Å; S344-C375 WeakPolarHBondContact O-CA 3.36Å; Y356-C375 HydrophobicContact CD1-CB 4.47Å; Y356-C375 WeakPolarHBondContact CE1-SG 3.39Å; C375-T388 HydrophobicContact CB-CG2 4.11Å; C375-E404 PolarHBondContact N-O 3.39Å; C375-A405 HydrophobicContact CB-CB 4.04Å; C375-A405 CarbonylContact O-C 3.49Å; C375-A405 WeakPolarHBondContact O-CA 3.4Å; C375-K406 PolarHBondContact O-N 3.03Å
376D94.9Very high95.5Very high28 Ų2845.1 Ų45.115%0.1523%0.232CC..EExtended strand (participates in β ladder)trans-105.8138.4176.4-67.3-35.3000111.2S344 K345 S346 K406 F436S344-D376 PolarHBondContact O-N 2.96Å; K345-D376 CarbonylContact C-O 3.39Å; K345-D376 WeakPolarHBondContact CA-O 3.42Å; K345-D376 HydrophobicContact CG-CB 4.42Å; K345-D376 IonicContact NZ-OD2 2.61Å; K345-D376 PolarHBondContact NZ-OD2 3Å; S346-D376 PolarHBondContact N-O 2.88Å; D376-K406 CarbonylContact C-O 3.55Å; D376-K406 WeakPolarHBondContact CA-O 3.49Å; D376-F436 HydrophobicContact CB-CE2 3.67Å; D376-F436 HydrophobicContact CB-CZ 3.66Å
377T94.9Very high95.4Very high2 Ų248.3 Ų48.31%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-127.7139.2168.8-54.80000111.7S346 V354 I379 S386 K406 S408S346-T377 CarbonylContact O-C 3.56Å; S346-T377 VanDerWaalsContact O-CA 3.31Å; S346-T377 WeakPolarHBondContact O-CA 3.02Å; V354-T377 HydrophobicContact CG2-CG2 3.85Å; T377-I379 HydrophobicContact CG2-CG1 4.1Å; T377-S386 WeakPolarHBondContact CG2-OG 3.43Å; T377-S386 PolarHBondContact OG1-OG 3.5Å; T377-S386 VanDerWaalsContact OG1-OG 3.08Å; T377-K406 PolarHBondContact N-O 3.08Å; T377-S408 PolarHBondContact O-N 2.9Å; T377-S408 PolarHBondContact O-OG 3.32Å
378L94.3Very high95.2Very high6 Ų644.9 Ų44.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-111.9116.9169-174.463.3000109.8S346 I347 S348 L380 S408 V410 V433 F436S346-L378 PolarHBondContact O-N 3.45Å; I347-L378 VanDerWaalsContact CA-O 3.32Å; I347-L378 WeakPolarHBondContact CA-O 3.4Å; I347-L378 HydrophobicContact CG1-CB 4.4Å; S348-L378 PolarHBondContact N-O 2.93Å; L378-L380 HydrophobicContact CD2-CD2 3.81Å; L378-L380 HydrophobicContact CG-CD2 3.76Å; L378-S408 WeakPolarHBondContact CA-O 3.24Å; L378-V410 HydrophobicContact CD1-CG2 4.16Å; L378-V410 HydrophobicContact CG-CG2 4.5Å; L378-V433 HydrophobicContact CD2-CG2 3.87Å; L378-F436 HydrophobicContact CB-CD1 4.3Å; L378-F436 HydrophobicContact CB-CD2 4.46Å; L378-F436 HydrophobicContact CB-CE1 4.11Å; L378-F436 HydrophobicContact CB-CE2 4.28Å; L378-F436 HydrophobicContact CB-CG 4.46Å; L378-F436 HydrophobicContact CB-CZ 4.1Å; L378-F436 HydrophobicContact CD2-CB 4.41Å; L378-F436 HydrophobicContact CD2-CG 4.34Å
379I93.6Very high95Very high23 Ų2345.1 Ų45.112%0.11823%0.229CC..EExtended strand (participates in β ladder)trans-100.6121.5175.4-51.9-176.9000108T377 D381 V407 S408T377-I379 HydrophobicContact CG2-CG1 4.1Å; I379-D381 VanDerWaalsContact CG2-O 3.32Å; I379-D381 WeakPolarHBondContact CG2-O 3.01Å; I379-V407 HydrophobicContact CD1-CG1 3.64Å; I379-V407 HydrophobicContact CG1-CG1 4.06Å; I379-S408 PolarHBondContact N-O 2.92Å
380L91.1Very high94.9Very high29 Ų2947.8 Ų47.815%0.15225%0.246CC..  trans-88.9-13.4-172.6-58.6-169.9000114.1I347 S348 K349 L378 V410 V433I347-L380 HydrophobicContact CG2-CD1 3.82Å; I347-L380 HydrophobicContact CG2-CD2 4.43Å; I347-L380 HydrophobicContact CG2-CG 3.95Å; S348-L380 PolarHBondContact O-N 2.88Å; K349-L380 HydrophobicContact CB-CB 4.05Å; K349-L380 HydrophobicContact CB-CD1 4.05Å; K349-L380 HydrophobicContact CB-CG 4.36Å; L378-L380 HydrophobicContact CD2-CD2 3.81Å; L378-L380 HydrophobicContact CG-CD2 3.76Å; L380-V410 HydrophobicContact CD2-CG2 3.36Å; L380-V433 HydrophobicContact CD1-CG2 4.31Å; L380-V433 HydrophobicContact CD2-CG2 4.02Å
381D89.4Confident94.8Very high30 Ų3046.4 Ų46.416%0.1624%0.242CC..SBendtrans-145.5-167.6-179.761.954.3000112K349 N350 I379 E383 S384K349-D381 VanDerWaalsContact CA-OD2 3.24Å; K349-D381 WeakPolarHBondContact CA-OD2 3.42Å; N350-D381 WeakPolarHBondContact CA-OD2 3.4Å; N350-D381 PolarHBondContact N-OD2 2.83Å; I379-D381 VanDerWaalsContact CG2-O 3.32Å; I379-D381 WeakPolarHBondContact CG2-O 3.01Å; D381-E383 WeakPolarHBondContact OD1-CA 2.76Å; D381-E383 PolarHBondContact OD1-N 3.26Å; D381-S384 WeakPolarHBondContact OD1-CB 3.36Å; D381-S384 PolarHBondContact OD1-N 3.02Å; D381-S384 PolarHBondContact OD1-OG 3.17Å; D381-S384 PolarHBondContact OD2-OG 2.53Å
382N90.8Very high94.7Very high140 Ų14049.6 Ų49.675%0.74926%0.258SS*.SBendtrans-100.3-6.6179.6-65.3-46.9000114.4K409N382-K409 PolarHBondContact OD1-NZ 3.48Å
383E93.1Very high94.7Very high152 Ų15251.1 Ų51.171%0.7126%0.264SS*.SBendtrans-96.5-28.7-178.3-60.4-172.6166.400112.2D381D381-E383 WeakPolarHBondContact OD1-CA 2.76Å; D381-E383 PolarHBondContact OD1-N 3.26Å
384S95.4Very high94.7Very high9 Ų954.6 Ų54.66%0.06329%0.285CS..  trans-75.3151.7-177.1-610000111.8K349 N350 G351 G352 D381K349-S384 WeakPolarHBondContact CA-OG 3.1Å; K349-S384 PolarHBondContact N-OG 3.43Å; K349-S384 PolarHBondContact O-OG 2.73Å; N350-S384 PolarHBondContact N-OG 3.45Å; G351-S384 PolarHBondContact N-OG 3.04Å; G352-S384 PolarHBondContact N-OG 2.59Å; G352-S384 WeakPolarHBondContact O-CA 3.22Å; G352-S384 WeakPolarHBondContact O-CB 2.71Å; D381-S384 WeakPolarHBondContact OD1-CB 3.36Å; D381-S384 PolarHBondContact OD1-N 3.02Å; D381-S384 PolarHBondContact OD1-OG 3.17Å; D381-S384 PolarHBondContact OD2-OG 2.53Å
385T95.1Very high94.8Very high63 Ų6356.7 Ų56.739%0.38729%0.293SS..EExtended strand (participates in β ladder)trans-133.8150.3-173.458.10000112.3G352 K353 V354G352-T385 PolarHBondContact O-N 3.4Å; K353-T385 WeakPolarHBondContact CA-O 3.34Å; K353-T385 WeakPolarHBondContact CG-OG1 3.06Å; V354-T385 PolarHBondContact N-O 2.78Å
386S95.1Very high94.9Very high24 Ų2457.5 Ų57.517%0.16830%0.297CS..EExtended strand (participates in β ladder)trans-132128.4172.7179.90000110.4V354 T377V354-S386 VanDerWaalsContact O-CA 3.27Å; V354-S386 WeakPolarHBondContact O-CA 3.05Å; T377-S386 WeakPolarHBondContact CG2-OG 3.43Å; T377-S386 PolarHBondContact OG1-OG 3.5Å; T377-S386 VanDerWaalsContact OG1-OG 3.08Å
387D95Very high95Very high66 Ų6663.4 Ų63.435%0.35333%0.329SS..EExtended strand (participates in β ladder)trans-112.4126.8169-66.5-47.1000109.3K353 V354 I355 Y356 I389K353-D387 WeakPolarHBondContact CE-OD2 3.26Å; K353-D387 IonicContact NZ-OD2 2.66Å; K353-D387 PolarHBondContact NZ-OD2 2.89Å; V354-D387 PolarHBondContact O-N 3.22Å; I355-D387 CarbonylContact C-O 3.57Å; I355-D387 VanDerWaalsContact CA-O 3.26Å; I355-D387 WeakPolarHBondContact CA-O 3.31Å; I355-D387 HydrophobicContact CG1-CB 4.21Å; I355-D387 HydrophobicContact CG2-CB 4.18Å; Y356-D387 PolarHBondContact N-O 3.4Å; D387-I389 HydrophobicContact CB-CD1 4.36Å; D387-I389 HydrophobicContact CB-CG1 4.25Å
388T94.8Very high95.1Very high42 Ų4268.1 Ų68.126%0.25835%0.351SS..EExtended strand (participates in β ladder)trans-108.7112.7171.3-57.70000108.6Y356 C375 P390 A405Y356-T388 HydrophobicContact CD1-CG2 3.61Å; Y356-T388 HydrophobicContact CE1-CG2 4.39Å; Y356-T388 HydrophobicContact CG-CG2 4.35Å; C375-T388 HydrophobicContact CB-CG2 4.11Å; T388-P390 VanDerWaalsContact O-CD 3.23Å; T388-P390 WeakPolarHBondContact O-CD 3.34Å; T388-A405 HydrophobicContact CG2-CB 3.98Å
389I95.2Very high95.3Very high45 Ų4569.9 Ų69.923%0.23136%0.36CS..EExtended strand (participates in β ladder)trans-11984.7-172.2-46.5176.5000109.9I355 Y356 G358 D387 Y391I355-I389 HydrophobicContact CG2-CD1 3.82Å; I355-I389 HydrophobicContact CG2-CG1 4.3Å; Y356-I389 PolarHBondContact O-N 2.94Å; G358-I389 PolarHBondContact N-O 2.97Å; D387-I389 HydrophobicContact CB-CD1 4.36Å; D387-I389 HydrophobicContact CB-CG1 4.25Å; I389-Y391 HydrophobicContact CG2-CD2 4.25Å; I389-Y391 HydrophobicContact CG2-CE2 3.41Å; I389-Y391 VanDerWaalsContact CG2-CE2 3.41Å
390P95Very high95.5Very high56 Ų5671.8 Ų71.836%0.36438%0.375SS..EExtended strand (participates in β ladder)trans-86.9140.9179.135.3-35.3000112.6T388 H403T388-P390 VanDerWaalsContact O-CD 3.23Å; T388-P390 WeakPolarHBondContact O-CD 3.34Å; P390-H403 WeakPolarHBondContact CB-CE1 3.45Å
391Y96.3Very high95.8Very high125 Ų12572.7 Ų72.749%0.4938%0.38SS..EExtended strand (participates in β ladder)trans-126.2114.6171-69.8-90.3000110.2G358 I359 V360 I389G358-Y391 PolarHBondContact O-N 2.54Å; I359-Y391 CarbonylContact C-O 3.54Å; I359-Y391 VanDerWaalsContact CA-O 3.29Å; I359-Y391 WeakPolarHBondContact CA-O 3.49Å; V360-Y391 PolarHBondContact N-O 3.45Å; I389-Y391 HydrophobicContact CG2-CD2 4.25Å; I389-Y391 HydrophobicContact CG2-CE2 3.41Å; I389-Y391 VanDerWaalsContact CG2-CE2 3.41Å
392N97.1Very high96.2Very high72 Ų7275.9 Ų75.939%0.38539%0.394SS..EExtended strand (participates in β ladder)trans-114.2115.5179-62.9-36.4000109.5V360 L401V360-N392 CarbonylContact O-C 3.5Å; V360-N392 WeakPolarHBondContact O-CA 3.08Å; N392-L401 HydrophobicContact CB-CD2 3.75Å
393E97.7Very high96.5Very high89 Ų8972 Ų7242%0.41637%0.371SS..EExtended strand (participates in β ladder)trans-112.3110.5-179.5-63.7-174.1156.500110.1V360 H361 F362 F395V360-E393 PolarHBondContact O-N 3.46Å; H361-E393 CarbonylContact C-O 3.57Å; H361-E393 WeakPolarHBondContact CA-O 3.5Å; H361-E393 HydrophobicContact CB-CB 4.35Å; H361-E393 IonicContact CE1-OE2 3.32Å; H361-E393 IonicContact CG-OE2 2.61Å; H361-E393 IonicContact ND1-OE2 2.68Å; H361-E393 PolarHBondContact ND1-OE2 3.19Å; F362-E393 PolarHBondContact N-O 3.12Å; E393-F395 HydrophobicContact CB-CE2 3.95Å
394V97.8Very high96.6Very high74 Ų7471 Ų7145%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-114.4107.1-173.9-176.90000110.7F362 N396 I399 L401F362-V394 HydrophobicContact CD2-CG2 4.11Å; V394-N396 WeakPolarHBondContact CG1-O 3.25Å; V394-I399 HydrophobicContact CG1-CD1 4.05Å; V394-I399 HydrophobicContact CG1-CG1 3.8Å; V394-I399 HydrophobicContact CG2-CD1 4.41Å; V394-L401 HydrophobicContact CG2-CD2 4.32Å
395F98Very high96.6Very high113 Ų11373.5 Ų73.550%0.49639%0.388SS..  trans-110.514.2176.8-60.4-84.5000113.5H361 F362 R364 E393H361-F395 AromaticContact CE1-CD2 3.54Å; H361-F395 AromaticContact CE1-CE2 3.46Å; H361-F395 VanDerWaalsContact CE1-CE2 3.46Å; H361-F395 WeakPolarHBondContact CE1-CE2 3.42Å; H361-F395 AromaticContact ND1-CE2 3.8Å; F362-F395 WeakPolarHBondContact O-CA 3.27Å; F362-F395 VanDerWaalsContact O-CB 3.28Å; F362-F395 WeakPolarHBondContact O-CB 3.18Å; F362-F395 PolarHBondContact O-N 3.29Å; R364-F395 WeakPolarHBondContact CA-O 3.24Å; R364-F395 HydrophobicContact CG-CB 4Å; E393-F395 HydrophobicContact CB-CE2 3.95Å
396N97.6Very high96.5Very high20 Ų2076.9 Ų76.911%0.10740%0.397CS..  trans-140.3135.8175.9-171.6-67.7000109.1R364 V394 Q398 I399R364-N396 PolarHBondContact O-ND2 3.17Å; V394-N396 WeakPolarHBondContact CG1-O 3.25Å; N396-Q398 WeakPolarHBondContact OD1-CA 3.42Å; N396-Q398 WeakPolarHBondContact OD1-CB 3.48Å; N396-Q398 PolarHBondContact OD1-N 3.23Å; N396-I399 HydrophobicContact CB-CG2 4.09Å; N396-I399 WeakPolarHBondContact O-CG1 3.29Å
397D96.8Very high96.4Very high152 Ų15279.7 Ų79.781%0.81341%0.413SS*.SBendtrans-89-3.8-175.361-20000113.9
398Q97.7Very high96.2Very high100 Ų10078 Ų7847%0.46741%0.407SS..SBendtrans-108.449.5-179.7-48.9-164.2-74.800111.2K367 G368 N396K367-Q398 HydrophobicContact CG-CB 4.14Å; G368-Q398 WeakPolarHBondContact CA-O 3.35Å; G368-Q398 PolarHBondContact N-O 3.09Å; N396-Q398 WeakPolarHBondContact OD1-CA 3.42Å; N396-Q398 WeakPolarHBondContact OD1-CB 3.48Å; N396-Q398 PolarHBondContact OD1-N 3.23Å
399I98Very high95.9Very high43 Ų4382.3 Ų82.322%0.22142%0.421CS..  trans-124.5164.2-178.664.782.6000111.9F362 A366 A369 V394 N396 L401F362-I399 HydrophobicContact CB-CG2 4.29Å; F362-I399 HydrophobicContact CD1-CB 4.03Å; F362-I399 HydrophobicContact CD1-CG1 4.46Å; F362-I399 HydrophobicContact CD1-CG2 3.71Å; F362-I399 HydrophobicContact CD2-CD1 4.38Å; F362-I399 HydrophobicContact CD2-CG1 4.49Å; F362-I399 HydrophobicContact CE1-CB 4.15Å; F362-I399 HydrophobicContact CE1-CG2 4.26Å; F362-I399 HydrophobicContact CE2-CD1 4.27Å; F362-I399 HydrophobicContact CG-CB 4.38Å; F362-I399 HydrophobicContact CG-CG1 4.33Å; F362-I399 HydrophobicContact CG-CG2 4.11Å; F362-I399 HydrophobicContact CZ-CD1 4.47Å; A366-I399 VanDerWaalsContact O-CG2 3.24Å; A366-I399 WeakPolarHBondContact O-CG2 3.4Å; A369-I399 HydrophobicContact CB-CG2 4.2Å; A369-I399 CarbonylContact O-C 3.6Å; A369-I399 VanDerWaalsContact O-CA 3.28Å; A369-I399 WeakPolarHBondContact O-CA 3.49Å; A369-I399 WeakPolarHBondContact O-CB 3.2Å; V394-I399 HydrophobicContact CG1-CD1 4.05Å; V394-I399 HydrophobicContact CG1-CG1 3.8Å; V394-I399 HydrophobicContact CG2-CD1 4.41Å; N396-I399 HydrophobicContact CB-CG2 4.09Å; N396-I399 WeakPolarHBondContact O-CG1 3.29Å; I399-L401 HydrophobicContact CD1-CB 3.93Å
400S98Very high95.5Very high63 Ų6381.2 Ų81.244%0.44142%0.417SS..EExtended strand (participates in β ladder)trans-122.1128.5168-1640000109.7A369 R370 S371A369-S400 PolarHBondContact O-N 3.48Å; R370-S400 CarbonylContact C-O 3.57Å; R370-S400 WeakPolarHBondContact CA-O 3.44Å; S371-S400 PolarHBondContact N-O 3.24Å
401L97.9Very high95.1Very high48 Ų4880.5 Ų80.525%0.25141%0.414SS..EExtended strand (participates in β ladder)trans-137.4124.7179.4173.165000109.3V360 F362 S371 I373 N392 V394 I399V360-L401 HydrophobicContact CG1-CD1 4.22Å; F362-L401 HydrophobicContact CE2-CB 4.11Å; F362-L401 HydrophobicContact CE2-CD1 4.07Å; F362-L401 HydrophobicContact CE2-CD2 4.23Å; F362-L401 HydrophobicContact CE2-CG 4.37Å; F362-L401 HydrophobicContact CZ-CB 4.4Å; F362-L401 HydrophobicContact CZ-CD1 4.44Å; S371-L401 WeakPolarHBondContact O-CA 3.28Å; I373-L401 HydrophobicContact CD1-CD1 3.42Å; I373-L401 VanDerWaalsContact CD1-CD1 3.42Å; N392-L401 HydrophobicContact CB-CD2 3.75Å; V394-L401 HydrophobicContact CG2-CD2 4.32Å; I399-L401 HydrophobicContact CD1-CB 3.93Å
402E97.7Very high94.7Very high98 Ų9882.5 Ų82.546%0.45843%0.427SS..EExtended strand (participates in β ladder)trans-122.4131.1174.4-69.2166.9-171.900108.6S371 N372 I373S371-E402 PolarHBondContact O-N 2.78Å; N372-E402 WeakPolarHBondContact CA-O 3.24Å; N372-E402 PolarHBondContact ND2-OE2 2.71Å; I373-E402 WeakPolarHBondContact CD1-O 3.45Å; I373-E402 PolarHBondContact N-O 2.66Å
403H96.9Very high94.4Very high57 Ų5786.5 Ų86.526%0.26444%0.444SS..EExtended strand (participates in β ladder)trans-136.8120.2176.9-176114.1000109.2I373 P390I373-H403 HydrophobicContact CB-CB 4.39Å; I373-H403 HydrophobicContact CD1-CB 4.48Å; I373-H403 WeakPolarHBondContact O-CA 3.44Å; P390-H403 WeakPolarHBondContact CB-CE1 3.45Å
404E95.9Very high94.2Very high133 Ų13387.1 Ų87.162%0.62145%0.447SS*.EExtended strand (participates in β ladder)trans-123.7137.4177.4-61.3-175.3-171.900109.7I373 C375I373-E404 PolarHBondContact O-N 3.31Å; C375-E404 PolarHBondContact N-O 3.39Å
405A94.6Very high93.9Very high61 Ų6184.8 Ų84.850%0.50443%0.431SS..EExtended strand (participates in β ladder)trans-137.4131.9176.100000110.3C375 T388C375-A405 HydrophobicContact CB-CB 4.04Å; C375-A405 CarbonylContact O-C 3.49Å; C375-A405 WeakPolarHBondContact O-CA 3.4Å; T388-A405 HydrophobicContact CG2-CB 3.98Å
406K93.9Very high93.7Very high133 Ų13386.6 Ų86.658%0.57844%0.439SS*.EExtended strand (participates in β ladder)trans-131.8126.7180-175.8-177.3176.7-173.80110.2C375 D376 T377C375-K406 PolarHBondContact O-N 3.03Å; D376-K406 CarbonylContact C-O 3.55Å; D376-K406 WeakPolarHBondContact CA-O 3.49Å; T377-K406 PolarHBondContact N-O 3.08Å
407V92.5Very high93.7Very high83 Ų8391.9 Ų91.950%0.50346%0.459SS..EExtended strand (participates in β ladder)trans-106.2129.3167.7-177.20000107.9I379I379-V407 HydrophobicContact CD1-CG1 3.64Å; I379-V407 HydrophobicContact CG1-CG1 4.06Å
408S90.8Very high93.7Very high32 Ų3286.1 Ų86.122%0.22443%0.427CS..EExtended strand (participates in β ladder)trans-131.2152.2-178.259.50000110.8T377 L378 I379T377-S408 PolarHBondContact O-N 2.9Å; T377-S408 PolarHBondContact O-OG 3.32Å; L378-S408 WeakPolarHBondContact CA-O 3.24Å; I379-S408 PolarHBondContact N-O 2.92Å
409K89.7Confident93.6Very high131 Ų13185 Ų8557%0.5742%0.423SS*.EExtended strand (participates in β ladder)trans-99164.5162.8-66-168.1175.7-167.30108.6N382 S411N382-K409 PolarHBondContact OD1-NZ 3.48Å; K409-S411 PolarHBondContact O-N 3.12Å
410V85.3Confident93.5Very high22 Ų2286.1 Ų86.113%0.13344%0.435CS..PPolyproline II helixtrans-57.3126.7168.3-169.80000108.3L378 L380 E412 L415 T429 I432L378-V410 HydrophobicContact CD1-CG2 4.16Å; L378-V410 HydrophobicContact CG-CG2 4.5Å; L380-V410 HydrophobicContact CD2-CG2 3.36Å; V410-E412 PolarHBondContact O-N 3.14Å; V410-L415 HydrophobicContact CB-CD1 4.2Å; V410-L415 HydrophobicContact CG1-CD1 3.54Å; V410-L415 HydrophobicContact CG1-CD2 3.91Å; V410-L415 HydrophobicContact CG1-CG 3.61Å; V410-T429 HydrophobicContact CG2-CG2 4.34Å; V410-I432 HydrophobicContact CG1-CD1 3.6Å; V410-I432 HydrophobicContact CG1-CG2 4.23Å
411S87Confident93.5Very high42 Ų4291 Ų9129%0.29444%0.444SS..PPolyproline II helixtrans-70.6118-176.5170.90000110.1K409 E413 Q414 L415K409-S411 PolarHBondContact O-N 3.12Å; S411-E413 PolarHBondContact O-N 2.96Å; S411-E413 PolarHBondContact OG-N 2.71Å; S411-Q414 PolarHBondContact O-N 3.24Å; S411-Q414 PolarHBondContact OG-N 3.05Å; S411-L415 PolarHBondContact O-N 3.31Å
412E87Confident93.4Very high167 Ų16792.1 Ų92.178%0.7847%0.466SS*.Hα-helixtrans-56.8-34.4174.2-66.4-180-174.300111.6V410 F416V410-E412 PolarHBondContact O-N 3.14Å; E412-F416 WeakPolarHBondContact O-CB 3.49Å; E412-F416 PolarHBondContact O-N 3.28Å
413E92.8Very high93.2Very high156 Ų15689.5 Ų89.573%0.72946%0.455SS*.Hα-helixtrans-67.4-41.8176-173.5-179.1-179.800111.6S411 Y417S411-E413 PolarHBondContact O-N 2.96Å; S411-E413 PolarHBondContact OG-N 2.71Å; E413-Y417 VanDerWaalsContact O-CB 3.23Å; E413-Y417 WeakPolarHBondContact O-CB 3.12Å; E413-Y417 PolarHBondContact O-N 3.14Å
414Q92.6Very high93Very high102 Ų10289.2 Ų89.248%0.47746%0.459SS..Hα-helixtrans-67.4-43.9176.6-69.7177.8-25.600111.5S411 Y417 L418 I432S411-Q414 PolarHBondContact O-N 3.24Å; S411-Q414 PolarHBondContact OG-N 3.05Å; Q414-Y417 PolarHBondContact O-N 2.83Å; Q414-L418 WeakPolarHBondContact O-CG 3.37Å; Q414-L418 PolarHBondContact O-N 2.92Å; Q414-I432 HydrophobicContact CB-CD1 3.81Å; Q414-I432 HydrophobicContact CB-CG1 4.42Å
415L91.5Very high92.7Very high24 Ų2487.3 Ų87.313%0.12645%0.45CS..Hα-helixtrans-58.7-53.1174.2-75.4172.9000110.7V410 S411 Y417 L418 M419 A428 T429 I432V410-L415 HydrophobicContact CB-CD1 4.2Å; V410-L415 HydrophobicContact CG1-CD1 3.54Å; V410-L415 HydrophobicContact CG1-CD2 3.91Å; V410-L415 HydrophobicContact CG1-CG 3.61Å; S411-L415 PolarHBondContact O-N 3.31Å; L415-Y417 VanDerWaalsContact C-N 3.29Å; L415-Y417 PolarHBondContact O-N 2.58Å; L415-L418 PolarHBondContact O-N 3.11Å; L415-M419 HydrophobicContact CB-SD 4.45Å; L415-M419 VanDerWaalsContact O-CB 3.32Å; L415-M419 WeakPolarHBondContact O-CB 3.42Å; L415-M419 WeakPolarHBondContact O-CG 2.83Å; L415-M419 PolarHBondContact O-N 3.35Å; L415-A428 HydrophobicContact CD2-CB 3.99Å; L415-T429 WeakPolarHBondContact CD2-OG1 3.5Å; L415-I432 HydrophobicContact CD2-CD1 3.78Å; L415-I432 HydrophobicContact CG-CD1 3.95Å
416F94.6Very high92.3Very high151 Ų15189.3 Ų89.366%0.66245%0.45SS*.Hα-helixtrans-57.9-42.4178.2-179.8-97.2000111.8E412 S420E412-F416 WeakPolarHBondContact O-CB 3.49Å; E412-F416 PolarHBondContact O-N 3.28Å; F416-S420 VanDerWaalsContact O-CB 3.28Å; F416-S420 WeakPolarHBondContact O-CB 3.04Å; F416-S420 PolarHBondContact O-N 2.99Å
417Y97Very high92.1Very high132 Ų13288 Ų8852%0.51845%0.445SS..Hα-helixtrans-60.4-51.5177-179.1-92.3000111.8E413 Q414 L415 S420 R421E413-Y417 VanDerWaalsContact O-CB 3.23Å; E413-Y417 WeakPolarHBondContact O-CB 3.12Å; E413-Y417 PolarHBondContact O-N 3.14Å; Q414-Y417 PolarHBondContact O-N 2.83Å; L415-Y417 VanDerWaalsContact C-N 3.29Å; L415-Y417 PolarHBondContact O-N 2.58Å; Y417-S420 PolarHBondContact O-N 3.46Å; Y417-S420 PolarHBondContact O-OG 2.88Å; Y417-R421 PolarHBondContact O-N 3.13Å
418L96.3Very high92.1Very high30 Ų3084 Ų8416%0.15742%0.421CS..Hα-helixtrans-63.2-44.1179.3-69.7169.4000111.3Q414 L415 S420 R421 I423 A428 M431 I432Q414-L418 WeakPolarHBondContact O-CG 3.37Å; Q414-L418 PolarHBondContact O-N 2.92Å; L415-L418 PolarHBondContact O-N 3.11Å; L418-S420 VanDerWaalsContact C-N 3.31Å; L418-S420 PolarHBondContact O-N 3.45Å; L418-R421 WeakPolarHBondContact O-CA 3.32Å; L418-R421 WeakPolarHBondContact O-CB 3.3Å; L418-R421 PolarHBondContact O-N 3.29Å; L418-I423 HydrophobicContact CB-CD1 4.24Å; L418-I423 HydrophobicContact CD2-CD1 3.87Å; L418-I423 WeakPolarHBondContact O-CB 3.4Å; L418-I423 PolarHBondContact O-N 2.99Å; L418-A428 HydrophobicContact CB-CB 3.63Å; L418-A428 HydrophobicContact CD1-CB 3.89Å; L418-A428 HydrophobicContact CG-CB 4.42Å; L418-M431 HydrophobicContact CD2-CE 4.25Å; L418-M431 HydrophobicContact CD2-SD 4.42Å; L418-I432 HydrophobicContact CD1-CD1 4.21Å; L418-I432 HydrophobicContact CD1-CG1 4.04Å
419M95Very high92Very high77 Ų7783 Ų8338%0.37941%0.414SS..Hα-helixtrans-62.9-36.4176.7-68.4168.468.600112.5L415 R421 G422 I423 E425 A428L415-M419 HydrophobicContact CB-SD 4.45Å; L415-M419 VanDerWaalsContact O-CB 3.32Å; L415-M419 WeakPolarHBondContact O-CB 3.42Å; L415-M419 WeakPolarHBondContact O-CG 2.83Å; L415-M419 PolarHBondContact O-N 3.35Å; M419-R421 PolarHBondContact O-N 3.24Å; M419-R421 VanDerWaalsContact O-N 3.15Å; M419-G422 PolarHBondContact O-N 2.86Å; M419-I423 WeakPolarHBondContact CA-O 3.45Å; M419-E425 HydrophobicContact CE-CB 4.02Å; M419-E425 HydrophobicContact CE-CG 4.38Å; M419-E425 HydrophobicContact SD-CB 3.92Å; M419-E425 HydrophobicContact SD-CG 3.95Å; M419-A428 HydrophobicContact CG-CB 4.38Å
420S96.9Very high91.9Very high66 Ų6678.5 Ų78.546%0.46240%0.395SS..Hα-helixtrans-64.4-16.5174820000113.4F416 Y417 L418 G422F416-S420 VanDerWaalsContact O-CB 3.28Å; F416-S420 WeakPolarHBondContact O-CB 3.04Å; F416-S420 PolarHBondContact O-N 2.99Å; Y417-S420 PolarHBondContact O-N 3.46Å; Y417-S420 PolarHBondContact O-OG 2.88Å; L418-S420 VanDerWaalsContact C-N 3.31Å; L418-S420 PolarHBondContact O-N 3.45Å; S420-G422 VanDerWaalsContact C-N 3.35Å
421R96.9Very high92.2Very high167 Ų16782.3 Ų82.363%0.6341%0.412SS*.THydrogen-bonded Turntrans-90.45.6172.2-57.5-54.3-176.4-156.8-0.6113.6Y417 L418 M419Y417-R421 PolarHBondContact O-N 3.13Å; L418-R421 WeakPolarHBondContact O-CA 3.32Å; L418-R421 WeakPolarHBondContact O-CB 3.3Å; L418-R421 PolarHBondContact O-N 3.29Å; M419-R421 PolarHBondContact O-N 3.24Å; M419-R421 VanDerWaalsContact O-N 3.15Å
422G95.8Very high92.4Very high70 Ų7081.5 Ų81.572%0.72241%0.405SS*.THydrogen-bonded Turntrans86.29.7178.200000114.5M419 S420M419-G422 PolarHBondContact O-N 2.86Å; S420-G422 VanDerWaalsContact C-N 3.35Å
423I94.6Very high92.5Very high43 Ų4373.6 Ų73.622%0.22137%0.367CS..  trans-79136.9173.3-57171.6000107.7L418 M419 E427 A428 M431L418-I423 HydrophobicContact CB-CD1 4.24Å; L418-I423 HydrophobicContact CD2-CD1 3.87Å; L418-I423 WeakPolarHBondContact O-CB 3.4Å; L418-I423 PolarHBondContact O-N 2.99Å; M419-I423 WeakPolarHBondContact CA-O 3.45Å; I423-E427 HydrophobicContact CG2-CB 3.44Å; I423-E427 VanDerWaalsContact CG2-CB 3.44Å; I423-A428 HydrophobicContact CG2-CB 4.14Å; I423-M431 HydrophobicContact CD1-SD 3.97Å; I423-M431 HydrophobicContact CG2-SD 4.38Å
424S92.8Very high92.3Very high51 Ų5168 Ų6836%0.35734%0.342SS..  trans-64.6158.2175.762.50000111.2E426 E427 A428S424-E426 PolarHBondContact O-N 3.24Å; S424-E427 WeakPolarHBondContact CB-OE2 3.25Å; S424-E427 PolarHBondContact N-OE2 3.04Å; S424-E427 VanDerWaalsContact N-OE2 3.09Å; S424-E427 PolarHBondContact O-N 2.86Å; S424-E427 WeakPolarHBondContact OG-CB 3.41Å; S424-E427 VanDerWaalsContact OG-CD 3.26Å; S424-E427 VanDerWaalsContact OG-CG 3.22Å; S424-E427 WeakPolarHBondContact OG-CG 3.35Å; S424-E427 PolarHBondContact OG-N 3.39Å; S424-E427 PolarHBondContact OG-OE2 3.14Å; S424-A428 VanDerWaalsContact O-CB 3.24Å; S424-A428 WeakPolarHBondContact O-CB 3.26Å; S424-A428 PolarHBondContact O-N 3.35Å
425E89.5Confident92.2Very high93 Ų9365.4 Ų65.444%0.43534%0.342SS..Hα-helixtrans-57.8-35.5175.4-170.3175.4175.800111.8M419 A428 T429 I464M419-E425 HydrophobicContact CE-CB 4.02Å; M419-E425 HydrophobicContact CE-CG 4.38Å; M419-E425 HydrophobicContact SD-CB 3.92Å; M419-E425 HydrophobicContact SD-CG 3.95Å; E425-A428 PolarHBondContact O-N 3.37Å; E425-T429 WeakPolarHBondContact O-CB 3.42Å; E425-T429 PolarHBondContact O-N 2.9Å; E425-T429 PolarHBondContact O-OG1 3.42Å; E425-I464 HydrophobicContact CB-CD1 4.44Å; E425-I464 HydrophobicContact CG-CD1 4.16Å; E425-I464 HydrophobicContact CG-CG2 4.31Å
426E86.6Confident92.2Very high104 Ų10465.9 Ų65.949%0.48634%0.344SS..Hα-helixtrans-62.5-55.3175-169.2172.2-165.500112.8S424 A428 T429 E430 I464S424-E426 PolarHBondContact O-N 3.24Å; E426-A428 VanDerWaalsContact C-N 3.27Å; E426-A428 PolarHBondContact O-N 3.47Å; E426-T429 PolarHBondContact O-N 3.03Å; E426-E430 WeakPolarHBondContact O-CB 3.4Å; E426-E430 PolarHBondContact O-N 2.99Å; E426-I464 HydrophobicContact CB-CD1 3.79Å; E426-I464 HydrophobicContact CG-CD1 4.25Å
427E89.1Confident91.9Very high104 Ų10458.7 Ų58.749%0.48631%0.312SS..Hα-helixtrans-63.3-35.9176.9-69.2164.8138.700111.6I423 S424 E430 M431I423-E427 HydrophobicContact CG2-CB 3.44Å; I423-E427 VanDerWaalsContact CG2-CB 3.44Å; S424-E427 WeakPolarHBondContact CB-OE2 3.25Å; S424-E427 PolarHBondContact N-OE2 3.04Å; S424-E427 VanDerWaalsContact N-OE2 3.09Å; S424-E427 PolarHBondContact O-N 2.86Å; S424-E427 WeakPolarHBondContact OG-CB 3.41Å; S424-E427 VanDerWaalsContact OG-CD 3.26Å; S424-E427 VanDerWaalsContact OG-CG 3.22Å; S424-E427 WeakPolarHBondContact OG-CG 3.35Å; S424-E427 PolarHBondContact OG-N 3.39Å; S424-E427 PolarHBondContact OG-OE2 3.14Å; E427-E430 PolarHBondContact O-N 3.43Å; E427-M431 VanDerWaalsContact O-CG 3.24Å; E427-M431 WeakPolarHBondContact O-CG 3.49Å; E427-M431 PolarHBondContact O-N 3.44Å
428A92Very high91.5Very high0 Ų056.3 Ų56.30%031%0.306CS..Hα-helixtrans-65.9-45.4178.200000111.8L415 L418 M419 I423 S424 E425 E426 E430 M431 I432L415-A428 HydrophobicContact CD2-CB 3.99Å; L418-A428 HydrophobicContact CB-CB 3.63Å; L418-A428 HydrophobicContact CD1-CB 3.89Å; L418-A428 HydrophobicContact CG-CB 4.42Å; M419-A428 HydrophobicContact CG-CB 4.38Å; I423-A428 HydrophobicContact CG2-CB 4.14Å; S424-A428 VanDerWaalsContact O-CB 3.24Å; S424-A428 WeakPolarHBondContact O-CB 3.26Å; S424-A428 PolarHBondContact O-N 3.35Å; E425-A428 PolarHBondContact O-N 3.37Å; E426-A428 VanDerWaalsContact C-N 3.27Å; E426-A428 PolarHBondContact O-N 3.47Å; A428-E430 VanDerWaalsContact C-N 3.34Å; A428-M431 PolarHBondContact O-N 3.19Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å; A428-I432 PolarHBondContact O-N 2.95Å; A428-I432 VanDerWaalsContact O-N 3.12Å
429T89Confident91Very high11 Ų1157.2 Ų57.27%0.06731%0.314CS..Hα-helixtrans-63.4-44.2176.3-52.20000110V410 L415 E425 E426 M431 I432 V433 M460V410-T429 HydrophobicContact CG2-CG2 4.34Å; L415-T429 WeakPolarHBondContact CD2-OG1 3.5Å; E425-T429 WeakPolarHBondContact O-CB 3.42Å; E425-T429 PolarHBondContact O-N 2.9Å; E425-T429 PolarHBondContact O-OG1 3.42Å; E426-T429 PolarHBondContact O-N 3.03Å; T429-M431 PolarHBondContact O-N 2.98Å; T429-I432 PolarHBondContact O-N 3.23Å; T429-V433 WeakPolarHBondContact O-CG2 3.33Å; T429-V433 PolarHBondContact O-N 3.12Å; T429-M460 HydrophobicContact CG2-CE 3.63Å
430E87.4Confident90.6Very high36 Ų3653.6 Ų53.617%0.16830%0.296CS..Hα-helixtrans-55.9-48.6175.6-174.1-175.317200111.2E426 E427 A428 I432 V433 M434 K457 M460E426-E430 WeakPolarHBondContact O-CB 3.4Å; E426-E430 PolarHBondContact O-N 2.99Å; E427-E430 PolarHBondContact O-N 3.43Å; A428-E430 VanDerWaalsContact C-N 3.34Å; E430-I432 VanDerWaalsContact C-N 3.31Å; E430-I432 PolarHBondContact O-N 2.62Å; E430-V433 PolarHBondContact O-N 2.9Å; E430-M434 HydrophobicContact CG-CE 4.23Å; E430-M434 HydrophobicContact CG-CG 4.27Å; E430-M434 WeakPolarHBondContact O-CB 3.34Å; E430-M434 VanDerWaalsContact O-CG 3.23Å; E430-M434 WeakPolarHBondContact O-CG 3.24Å; E430-M434 PolarHBondContact O-N 2.86Å; E430-K457 WeakPolarHBondContact OE1-CD 3.22Å; E430-K457 VanDerWaalsContact OE1-CG 3.27Å; E430-K457 WeakPolarHBondContact OE1-CG 3.47Å; E430-K457 IonicContact OE1-NZ 2.84Å; E430-K457 PolarHBondContact OE1-NZ 2.97Å; E430-K457 IonicContact OE2-NZ 2.73Å; E430-K457 PolarHBondContact OE2-NZ 3.22Å; E430-M460 HydrophobicContact CB-CE 4.24Å; E430-M460 HydrophobicContact CB-SD 4.3Å; E430-M460 HydrophobicContact CG-SD 4.38Å
431M90.9Very high90.1Very high103 Ų10351.3 Ų51.351%0.50728%0.279SS..Hα-helixtrans-59.3-40.3177.8-74176.175.300112.9L418 I423 E427 A428 T429 G435L418-M431 HydrophobicContact CD2-CE 4.25Å; L418-M431 HydrophobicContact CD2-SD 4.42Å; I423-M431 HydrophobicContact CD1-SD 3.97Å; I423-M431 HydrophobicContact CG2-SD 4.38Å; E427-M431 VanDerWaalsContact O-CG 3.24Å; E427-M431 WeakPolarHBondContact O-CG 3.49Å; E427-M431 PolarHBondContact O-N 3.44Å; A428-M431 PolarHBondContact O-N 3.19Å; T429-M431 PolarHBondContact O-N 2.98Å; M431-G435 PolarHBondContact O-N 2.83Å
432I91.3Very high89.6Confident25 Ų2549.7 Ų49.713%0.12828%0.277CS..Hα-helixtrans-65-45.7177.6-67.2166.1000110.4V410 Q414 L415 L418 A428 T429 E430 G435 F436V410-I432 HydrophobicContact CG1-CD1 3.6Å; V410-I432 HydrophobicContact CG1-CG2 4.23Å; Q414-I432 HydrophobicContact CB-CD1 3.81Å; Q414-I432 HydrophobicContact CB-CG1 4.42Å; L415-I432 HydrophobicContact CD2-CD1 3.78Å; L415-I432 HydrophobicContact CG-CD1 3.95Å; L418-I432 HydrophobicContact CD1-CD1 4.21Å; L418-I432 HydrophobicContact CD1-CG1 4.04Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å; A428-I432 PolarHBondContact O-N 2.95Å; A428-I432 VanDerWaalsContact O-N 3.12Å; T429-I432 PolarHBondContact O-N 3.23Å; E430-I432 VanDerWaalsContact C-N 3.31Å; E430-I432 PolarHBondContact O-N 2.62Å; I432-G435 PolarHBondContact O-N 2.82Å; I432-F436 PolarHBondContact O-N 3.35Å
433V89.8Confident89.2Confident0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-63.8-43.6177.81730000111I347 L378 L380 T429 E430 G435 F436 I437 I456 M460I347-V433 HydrophobicContact CD1-CG1 3.64Å; L378-V433 HydrophobicContact CD2-CG2 3.87Å; L380-V433 HydrophobicContact CD1-CG2 4.31Å; L380-V433 HydrophobicContact CD2-CG2 4.02Å; T429-V433 WeakPolarHBondContact O-CG2 3.33Å; T429-V433 PolarHBondContact O-N 3.12Å; E430-V433 PolarHBondContact O-N 2.9Å; V433-G435 VanDerWaalsContact C-N 3.32Å; V433-G435 PolarHBondContact O-N 3.06Å; V433-F436 WeakPolarHBondContact O-CB 3.41Å; V433-F436 PolarHBondContact O-N 2.8Å; V433-F436 VanDerWaalsContact O-N 3.09Å; V433-I437 WeakPolarHBondContact O-CG1 3.42Å; V433-I437 PolarHBondContact O-N 2.75Å; V433-I456 HydrophobicContact CG1-CG2 3.87Å; V433-M460 HydrophobicContact CB-CE 4.18Å; V433-M460 HydrophobicContact CB-SD 3.53Å; V433-M460 VanDerWaalsContact CB-SD 3.53Å; V433-M460 HydrophobicContact CG1-SD 3.66Å; V433-M460 HydrophobicContact CG2-CE 3.72Å; V433-M460 HydrophobicContact CG2-SD 3.65Å
434M87.8Confident88.6Confident38 Ų3848.7 Ų48.719%0.18725%0.252CS..Hα-helixtrans-61.8-39.6176.3-69.6-62.9166.800112E430 F436 I437 E438 N453 I456 K457E430-M434 HydrophobicContact CG-CE 4.23Å; E430-M434 HydrophobicContact CG-CG 4.27Å; E430-M434 WeakPolarHBondContact O-CB 3.34Å; E430-M434 VanDerWaalsContact O-CG 3.23Å; E430-M434 WeakPolarHBondContact O-CG 3.24Å; E430-M434 PolarHBondContact O-N 2.86Å; M434-F436 VanDerWaalsContact C-N 3.32Å; M434-I437 VanDerWaalsContact O-CG1 3.22Å; M434-I437 WeakPolarHBondContact O-CG1 3.36Å; M434-I437 HydrophobicContact SD-CD1 3.63Å; M434-I437 HydrophobicContact SD-CG1 4.49Å; M434-E438 PolarHBondContact O-N 3.25Å; M434-E438 VanDerWaalsContact O-N 3.08Å; M434-N453 HydrophobicContact CE-CB 4.45Å; M434-N453 VanDerWaalsContact CE-O 3.26Å; M434-N453 WeakPolarHBondContact CE-O 3.27Å; M434-N453 HydrophobicContact SD-CB 4.31Å; M434-I456 HydrophobicContact CE-CB 3.81Å; M434-I456 HydrophobicContact CE-CG2 3.56Å; M434-I456 HydrophobicContact SD-CG2 4.37Å; M434-K457 HydrophobicContact CE-CB 4.45Å
435G91.2Very high87.8Confident48 Ų4847.6 Ų47.650%0.49524%0.244SC..Hα-helixtrans-64.7-35.6172.800000112.9M431 I432 V433 E438M431-G435 PolarHBondContact O-N 2.83Å; I432-G435 PolarHBondContact O-N 2.82Å; V433-G435 VanDerWaalsContact C-N 3.32Å; V433-G435 PolarHBondContact O-N 3.06Å; G435-E438 WeakPolarHBondContact O-CB 3.27Å; G435-E438 PolarHBondContact O-N 3.07Å
436F91.3Very high86.9Confident34 Ų3449.7 Ų49.715%0.14926%0.256CS..Hα-helixtrans-66.8-41.1178-179.2-101000112.6K345 S346 I347 D376 L378 I432 V433 M434K345-F436 HydrophobicContact CB-CD1 4.45Å; K345-F436 HydrophobicContact CB-CE1 3.72Å; K345-F436 HydrophobicContact CB-CZ 4Å; K345-F436 HydrophobicContact CD-CZ 4.49Å; K345-F436 WeakPolarHBondContact CD-O 3.23Å; K345-F436 HydrophobicContact CG-CE1 4.49Å; K345-F436 HydrophobicContact CG-CZ 4.42Å; S346-F436 WeakPolarHBondContact O-CE1 3.09Å; I347-F436 HydrophobicContact CD1-CD1 4.18Å; I347-F436 HydrophobicContact CG1-CD1 3.93Å; I347-F436 HydrophobicContact CG1-CE1 3.94Å; D376-F436 HydrophobicContact CB-CE2 3.67Å; D376-F436 HydrophobicContact CB-CZ 3.66Å; L378-F436 HydrophobicContact CB-CD1 4.3Å; L378-F436 HydrophobicContact CB-CD2 4.46Å; L378-F436 HydrophobicContact CB-CE1 4.11Å; L378-F436 HydrophobicContact CB-CE2 4.28Å; L378-F436 HydrophobicContact CB-CG 4.46Å; L378-F436 HydrophobicContact CB-CZ 4.1Å; L378-F436 HydrophobicContact CD2-CB 4.41Å; L378-F436 HydrophobicContact CD2-CG 4.34Å; I432-F436 PolarHBondContact O-N 3.35Å; V433-F436 WeakPolarHBondContact O-CB 3.41Å; V433-F436 PolarHBondContact O-N 2.8Å; V433-F436 VanDerWaalsContact O-N 3.09Å; M434-F436 VanDerWaalsContact C-N 3.32Å
437I88.3Confident86.1Confident0 Ų047.5 Ų47.50%025%0.245CC..Hα-helixtrans-85-8.3179.467.3171.8000113.7I316 I347 V433 M434 P439 F440 T441 I456I316-I437 HydrophobicContact CD1-CB 3.57Å; I316-I437 HydrophobicContact CD1-CG2 3.78Å; I347-I437 HydrophobicContact CD1-CG2 3.57Å; V433-I437 WeakPolarHBondContact O-CG1 3.42Å; V433-I437 PolarHBondContact O-N 2.75Å; M434-I437 VanDerWaalsContact O-CG1 3.22Å; M434-I437 WeakPolarHBondContact O-CG1 3.36Å; M434-I437 HydrophobicContact SD-CD1 3.63Å; M434-I437 HydrophobicContact SD-CG1 4.49Å; I437-P439 VanDerWaalsContact C-N 3.27Å; I437-P439 VanDerWaalsContact O-N 3.13Å; I437-F440 WeakPolarHBondContact O-CB 3.15Å; I437-F440 PolarHBondContact O-N 3.24Å; I437-T441 HydrophobicContact CD1-CG2 3.81Å; I437-T441 HydrophobicContact CG1-CG2 4.05Å; I437-T441 PolarHBondContact O-N 3.27Å; I437-I456 HydrophobicContact CD1-CD1 3.15Å; I437-I456 HydrophobicContact CD1-CG1 4.42Å; I437-I456 HydrophobicContact CD1-CG2 4.45Å; I437-I456 HydrophobicContact CG1-CD1 4.36Å; I437-I456 HydrophobicContact CG2-CD1 4.16Å
438E88.8Confident85.3Confident83 Ų8343.3 Ų43.339%0.38823%0.225SC..Hα-helixtrans-49.6-39.6-173.2-168.3-138.1-154.100113.6M434 G435 F440 T441 K442M434-E438 PolarHBondContact O-N 3.25Å; M434-E438 VanDerWaalsContact O-N 3.08Å; G435-E438 WeakPolarHBondContact O-CB 3.27Å; G435-E438 PolarHBondContact O-N 3.07Å; E438-F440 PolarHBondContact O-N 3.42Å; E438-T441 WeakPolarHBondContact CA-OG1 2.92Å; E438-T441 PolarHBondContact O-N 3.33Å; E438-T441 PolarHBondContact O-OG1 3.16Å; E438-K442 HydrophobicContact CG-CD 4.25Å; E438-K442 HydrophobicContact CG-CG 4.44Å; E438-K442 WeakPolarHBondContact O-CG 3.23Å; E438-K442 PolarHBondContact O-N 3Å; E438-K442 VanDerWaalsContact O-N 3.07Å; E438-K442 WeakPolarHBondContact OE1-CE 3.45Å; E438-K442 IonicContact OE1-NZ 3.95Å; E438-K442 PolarHBondContact OE1-NZ 3.48Å; E438-K442 WeakPolarHBondContact OE2-CE 3.38Å; E438-K442 IonicContact OE2-NZ 2.8Å; E438-K442 PolarHBondContact OE2-NZ 3.22Å
439P86.2Confident84.6Confident49 Ų4943.9 Ų43.932%0.31823%0.23SC..Hα-helixtrans-60-27.4176.7-28.640.3000114.1I437 E443I437-P439 VanDerWaalsContact C-N 3.27Å; I437-P439 VanDerWaalsContact O-N 3.13Å; P439-E443 WeakPolarHBondContact O-CG 3.46Å
440F86.9Confident83.9Confident1 Ų146.1 Ų46.10%0.00424%0.243CC..Hα-helixtrans-83.7-44175.1-179.2-96.7000112.5V287 G289 L314 I316 I437 E438 K442 E443 L444 M452V287-F440 HydrophobicContact CG1-CD2 3.93Å; V287-F440 HydrophobicContact CG1-CE2 3.44Å; V287-F440 VanDerWaalsContact CG1-CE2 3.44Å; V287-F440 HydrophobicContact CG1-CZ 4.01Å; G289-F440 VanDerWaalsContact CA-CZ 3.44Å; L314-F440 HydrophobicContact CD2-CB 4.26Å; L314-F440 HydrophobicContact CD2-CD2 4.09Å; L314-F440 HydrophobicContact CG-CD2 3.97Å; I316-F440 HydrophobicContact CB-CD2 4.35Å; I316-F440 HydrophobicContact CB-CG 4.33Å; I316-F440 HydrophobicContact CD1-CB 3.12Å; I316-F440 HydrophobicContact CD1-CD1 3.7Å; I316-F440 HydrophobicContact CD1-CD2 4.15Å; I316-F440 HydrophobicContact CD1-CG 3.42Å; I316-F440 VanDerWaalsContact CD1-CG 3.42Å; I316-F440 HydrophobicContact CG1-CB 3.61Å; I316-F440 HydrophobicContact CG1-CD1 4.11Å; I316-F440 HydrophobicContact CG1-CD2 3.77Å; I316-F440 HydrophobicContact CG1-CE2 4.46Å; I316-F440 HydrophobicContact CG1-CG 3.58Å; I437-F440 WeakPolarHBondContact O-CB 3.15Å; I437-F440 PolarHBondContact O-N 3.24Å; E438-F440 PolarHBondContact O-N 3.42Å; F440-K442 PolarHBondContact O-N 2.77Å; F440-E443 WeakPolarHBondContact O-CB 3.29Å; F440-E443 PolarHBondContact O-N 3.08Å; F440-L444 HydrophobicContact CD1-CD1 4.04Å; F440-L444 HydrophobicContact CD1-CG 4.29Å; F440-L444 HydrophobicContact CE1-CD1 3.68Å; F440-L444 HydrophobicContact CE1-CD2 4Å; F440-L444 HydrophobicContact CE1-CG 4.06Å; F440-L444 HydrophobicContact CZ-CD2 4.03Å; F440-L444 PolarHBondContact O-N 3.23Å; F440-M452 HydrophobicContact CD1-CE 4.14Å; F440-M452 HydrophobicContact CE1-CE 3.9Å; F440-M452 HydrophobicContact CE1-CG 4.49Å; F440-M452 HydrophobicContact CE1-SD 4.38Å
441T85.4Confident83.2Confident18 Ų1846 Ų4611%0.1124%0.243CC..Hα-helixtrans-64.8-29.2-177.557.90000111.8I437 E438 E443 L444 A449 M452I437-T441 HydrophobicContact CD1-CG2 3.81Å; I437-T441 HydrophobicContact CG1-CG2 4.05Å; I437-T441 PolarHBondContact O-N 3.27Å; E438-T441 WeakPolarHBondContact CA-OG1 2.92Å; E438-T441 PolarHBondContact O-N 3.33Å; E438-T441 PolarHBondContact O-OG1 3.16Å; T441-E443 PolarHBondContact O-N 2.69Å; T441-L444 PolarHBondContact O-N 3.26Å; T441-A449 WeakPolarHBondContact O-CB 3.04Å; T441-M452 HydrophobicContact CG2-CG 4.07Å
442K87.4Confident82.5Confident133 Ų13341 Ų4158%0.57822%0.218SC*.THydrogen-bonded Turntrans-64.1-24170.4-78.6176172164.40114.6E438 F440E438-K442 HydrophobicContact CG-CD 4.25Å; E438-K442 HydrophobicContact CG-CG 4.44Å; E438-K442 WeakPolarHBondContact O-CG 3.23Å; E438-K442 PolarHBondContact O-N 3Å; E438-K442 VanDerWaalsContact O-N 3.07Å; E438-K442 WeakPolarHBondContact OE1-CE 3.45Å; E438-K442 IonicContact OE1-NZ 3.95Å; E438-K442 PolarHBondContact OE1-NZ 3.48Å; E438-K442 WeakPolarHBondContact OE2-CE 3.38Å; E438-K442 IonicContact OE2-NZ 2.8Å; E438-K442 PolarHBondContact OE2-NZ 3.22Å; F440-K442 PolarHBondContact O-N 2.77Å
443E87.1Confident81.9Confident77 Ų7742.8 Ų42.836%0.3623%0.228SC..THydrogen-bonded Turntrans-89.6-10.6-178.4-67.5-56155.300112.8R257 V287 L314 P439 F440 T441R257-E443 VanDerWaalsContact CZ-O 3.27Å; R257-E443 IonicContact CZ-OE2 2.72Å; R257-E443 PolarHBondContact NH1-O 2.95Å; R257-E443 IonicContact NH1-OE2 2.66Å; R257-E443 VanDerWaalsContact NH2-CB 3.31Å; R257-E443 PolarHBondContact NH2-O 3.01Å; R257-E443 IonicContact NH2-OE2 2.75Å; R257-E443 PolarHBondContact NH2-OE2 3.49Å; V287-E443 HydrophobicContact CG1-CB 4.29Å; L314-E443 HydrophobicContact CD2-CB 4.07Å; L314-E443 HydrophobicContact CD2-CG 3.57Å; P439-E443 WeakPolarHBondContact O-CG 3.46Å; F440-E443 WeakPolarHBondContact O-CB 3.29Å; F440-E443 PolarHBondContact O-N 3.08Å; T441-E443 PolarHBondContact O-N 2.69Å
444L82.6Confident81.1Confident14 Ų1450.3 Ų50.37%0.07326%0.256CS..SBendtrans-86.8150.3177.7-59.2-177.5000111.3T259 I261 V287 F440 T441 A449 M452T259-L444 HydrophobicContact CG2-CD2 3.49Å; T259-L444 VanDerWaalsContact CG2-CD2 3.49Å; I261-L444 HydrophobicContact CD1-CD1 3.86Å; I261-L444 HydrophobicContact CD1-CD2 3.92Å; I261-L444 HydrophobicContact CD1-CG 4.44Å; I261-L444 HydrophobicContact CG1-CD1 4.39Å; I261-L444 HydrophobicContact CG1-CD2 4.22Å; V287-L444 HydrophobicContact CG1-CD2 3.92Å; F440-L444 HydrophobicContact CD1-CD1 4.04Å; F440-L444 HydrophobicContact CD1-CG 4.29Å; F440-L444 HydrophobicContact CE1-CD1 3.68Å; F440-L444 HydrophobicContact CE1-CD2 4Å; F440-L444 HydrophobicContact CE1-CG 4.06Å; F440-L444 HydrophobicContact CZ-CD2 4.03Å; F440-L444 PolarHBondContact O-N 3.23Å; T441-L444 PolarHBondContact O-N 3.26Å; L444-A449 HydrophobicContact CB-CB 4.23Å; L444-M452 HydrophobicContact CD1-CB 3.98Å; L444-M452 HydrophobicContact CD1-CG 4.25Å
445P74.7Confident80.6Confident29 Ų2949 Ų4919%0.18825%0.25CS..  trans-56.1152.2162.2-16.328.2000110.6V228 E447 Y448 A449V228-P445 HydrophobicContact CG2-CG 4.46Å; P445-E447 VanDerWaalsContact C-N 3.27Å; P445-E447 PolarHBondContact O-N 3.45Å; P445-Y448 HydrophobicContact CB-CD2 3.93Å; P445-Y448 HydrophobicContact CG-CD2 3.8Å; P445-Y448 HydrophobicContact CG-CE2 4.39Å; P445-Y448 WeakPolarHBondContact O-CB 3.45Å; P445-Y448 PolarHBondContact O-N 3.22Å; P445-A449 PolarHBondContact O-N 2.84Å
446M71.7Confident79.9Confident137 Ų13746.8 Ų46.868%0.67523%0.227SC*.Hα-helixtrans-56.1-41-168.4-178.261.965.100112.8Y448 A449 V450M446-Y448 VanDerWaalsContact C-N 3.31Å; M446-Y448 PolarHBondContact O-N 3.13Å; M446-A449 PolarHBondContact O-N 2.72Å; M446-V450 WeakPolarHBondContact O-CG2 3.44Å; M446-V450 PolarHBondContact O-N 3.46Å; M446-V450 HydrophobicContact SD-CG2 4.5Å
447E68.7Low79.2Confident58 Ų5849.5 Ų49.527%0.27124%0.239SC..Hα-helixtrans-61.6-43.7-178.4-58.565.9-136.400110.3Y115 P445 V450 E451Y115-E447 VanDerWaalsContact CD2-CD 3.47Å; Y115-E447 HydrophobicContact CD2-CG 3.84Å; Y115-E447 WeakPolarHBondContact CD2-OE1 3.45Å; Y115-E447 WeakPolarHBondContact CE1-OE1 3.22Å; Y115-E447 HydrophobicContact CE2-CG 3.83Å; Y115-E447 WeakPolarHBondContact CE2-OE1 3.23Å; P445-E447 VanDerWaalsContact C-N 3.27Å; P445-E447 PolarHBondContact O-N 3.45Å; E447-V450 PolarHBondContact O-N 2.92Å; E447-E451 PolarHBondContact O-N 3.36Å
448Y73.9Confident78.4Confident16 Ų1652.9 Ų52.96%0.06325%0.253CS..Hα-helixtrans-73-36.4177.8-73.8-68.6000113.3Q199 V228 I261 P445 M446 V450 E451 M452Q199-Y448 PolarHBondContact NE2-OH 3.2Å; Q199-Y448 PolarHBondContact OE1-OH 3.47Å; V228-Y448 HydrophobicContact CB-CE2 4.41Å; V228-Y448 HydrophobicContact CG1-CD2 4.23Å; V228-Y448 HydrophobicContact CG1-CE1 4.15Å; V228-Y448 HydrophobicContact CG1-CE2 3.6Å; I261-Y448 VanDerWaalsContact CD1-CB 3.47Å; I261-Y448 HydrophobicContact CD1-CD1 3.27Å; I261-Y448 HydrophobicContact CD1-CE1 4.11Å; I261-Y448 HydrophobicContact CD1-CG 3.55Å; P445-Y448 HydrophobicContact CB-CD2 3.93Å; P445-Y448 HydrophobicContact CG-CD2 3.8Å; P445-Y448 HydrophobicContact CG-CE2 4.39Å; P445-Y448 WeakPolarHBondContact O-CB 3.45Å; P445-Y448 PolarHBondContact O-N 3.22Å; M446-Y448 VanDerWaalsContact C-N 3.31Å; M446-Y448 PolarHBondContact O-N 3.13Å; Y448-V450 VanDerWaalsContact C-N 3.28Å; Y448-V450 PolarHBondContact O-N 2.95Å; Y448-E451 PolarHBondContact O-N 3.06Å; Y448-M452 WeakPolarHBondContact O-CB 3.41Å; Y448-M452 PolarHBondContact O-N 2.73Å
449A77.3Confident77.7Confident11 Ų1150 Ų509%0.09124%0.24CC..Hα-helixtrans-60.9-42172.900000110.7T441 L444 P445 M446 N453T441-A449 WeakPolarHBondContact O-CB 3.04Å; L444-A449 HydrophobicContact CB-CB 4.23Å; P445-A449 PolarHBondContact O-N 2.84Å; M446-A449 PolarHBondContact O-N 2.72Å; A449-N453 WeakPolarHBondContact O-CB 3.46Å; A449-N453 PolarHBondContact O-N 2.93Å; A449-N453 PolarHBondContact O-ND2 2.9Å
450V74Confident77.1Confident59 Ų5948.3 Ų48.336%0.35823%0.228SC..Hα-helixtrans-65.3-43.8175.6172.80000111.3M446 E447 Y448 N453 R454M446-V450 WeakPolarHBondContact O-CG2 3.44Å; M446-V450 PolarHBondContact O-N 3.46Å; M446-V450 HydrophobicContact SD-CG2 4.5Å; E447-V450 PolarHBondContact O-N 2.92Å; Y448-V450 VanDerWaalsContact C-N 3.28Å; Y448-V450 PolarHBondContact O-N 2.95Å; V450-N453 PolarHBondContact O-N 3.33Å; V450-R454 WeakPolarHBondContact O-CG 3.42Å; V450-R454 PolarHBondContact O-N 2.85Å; V450-R454 VanDerWaalsContact O-N 3.14Å
451E71.8Confident76.2Confident32 Ų3253.4 Ų53.415%0.1525%0.252CS..Hα-helixtrans-62.1-47.6175.9179163.9-14100112Y13 E447 Y448 N453 R454 L455Y13-E451 WeakPolarHBondContact CE2-OE1 3.17Å; Y13-E451 PolarHBondContact OH-OE1 3.45Å; E447-E451 PolarHBondContact O-N 3.36Å; Y448-E451 PolarHBondContact O-N 3.06Å; E451-N453 VanDerWaalsContact C-N 3.31Å; E451-N453 PolarHBondContact O-N 3.36Å; E451-R454 WeakPolarHBondContact O-CA 3.19Å; E451-R454 WeakPolarHBondContact O-CB 3.43Å; E451-R454 PolarHBondContact O-N 3.32Å; E451-L455 HydrophobicContact CG-CD1 4.14Å; E451-L455 HydrophobicContact CG-CG 4.24Å; E451-L455 WeakPolarHBondContact O-CG 3.41Å; E451-L455 PolarHBondContact O-N 2.84Å
452M77.6Confident75.1Confident0 Ų055.3 Ų55.30%028%0.275CS..Hα-helixtrans-55.4-46.2177.2-174.862.3173.300111.6L291 I316 F440 T441 L444 Y448 R454 L455 I456L291-M452 HydrophobicContact CD1-CE 3.74Å; L291-M452 HydrophobicContact CD1-SD 3.49Å; L291-M452 WeakPolarHBondContact CD1-SD 3.37Å; L291-M452 HydrophobicContact CD2-CE 4.21Å; L291-M452 HydrophobicContact CD2-SD 4.48Å; L291-M452 HydrophobicContact CG-CE 4.31Å; I316-M452 HydrophobicContact CG2-CE 4.07Å; F440-M452 HydrophobicContact CD1-CE 4.14Å; F440-M452 HydrophobicContact CE1-CE 3.9Å; F440-M452 HydrophobicContact CE1-CG 4.49Å; F440-M452 HydrophobicContact CE1-SD 4.38Å; T441-M452 HydrophobicContact CG2-CG 4.07Å; L444-M452 HydrophobicContact CD1-CB 3.98Å; L444-M452 HydrophobicContact CD1-CG 4.25Å; Y448-M452 WeakPolarHBondContact O-CB 3.41Å; Y448-M452 PolarHBondContact O-N 2.73Å; M452-R454 VanDerWaalsContact C-N 3.3Å; M452-R454 PolarHBondContact O-N 3.36Å; M452-L455 PolarHBondContact O-N 2.83Å; M452-I456 HydrophobicContact CE-CD1 3.52Å; M452-I456 HydrophobicContact CE-CG1 4.21Å; M452-I456 HydrophobicContact CG-CD1 4.12Å; M452-I456 PolarHBondContact O-N 2.96Å; M452-I456 HydrophobicContact SD-CD1 4.15Å; M452-I456 HydrophobicContact SD-CG1 4.47Å
453N77Confident73.7Confident62 Ų6249.6 Ų49.633%0.33225%0.252SS..Hα-helixtrans-61.6-39.3177.4-69.1-19.1000111.7M434 A449 V450 E451 K457M434-N453 HydrophobicContact CE-CB 4.45Å; M434-N453 VanDerWaalsContact CE-O 3.26Å; M434-N453 WeakPolarHBondContact CE-O 3.27Å; M434-N453 HydrophobicContact SD-CB 4.31Å; A449-N453 WeakPolarHBondContact O-CB 3.46Å; A449-N453 PolarHBondContact O-N 2.93Å; A449-N453 PolarHBondContact O-ND2 2.9Å; V450-N453 PolarHBondContact O-N 3.33Å; E451-N453 VanDerWaalsContact C-N 3.31Å; E451-N453 PolarHBondContact O-N 3.36Å; N453-K457 WeakPolarHBondContact O-CB 3.34Å; N453-K457 PolarHBondContact O-N 2.66Å
454R73.7Confident72Confident157 Ų15749.2 Ų49.259%0.59225%0.252SS*.Hα-helixtrans-67.7-41.8175.7-70.7172.4177.5173.6-0112.1V450 E451 M452 K457 F458V450-R454 WeakPolarHBondContact O-CG 3.42Å; V450-R454 PolarHBondContact O-N 2.85Å; V450-R454 VanDerWaalsContact O-N 3.14Å; E451-R454 WeakPolarHBondContact O-CA 3.19Å; E451-R454 WeakPolarHBondContact O-CB 3.43Å; E451-R454 PolarHBondContact O-N 3.32Å; M452-R454 VanDerWaalsContact C-N 3.3Å; M452-R454 PolarHBondContact O-N 3.36Å; R454-K457 PolarHBondContact O-N 3.28Å; R454-F458 PolarHBondContact O-N 3.4Å
455L76.5Confident70.2Confident12 Ų1255.2 Ų55.26%0.06332%0.317CS..Hα-helixtrans-63.2-45.4178.1-71.8-177.9000111.4Y13 N263 L291 E451 M452 K457 F458 E459Y13-L455 HydrophobicContact CD2-CD2 4.13Å; Y13-L455 HydrophobicContact CE2-CD2 3.82Å; N263-L455 HydrophobicContact CB-CD1 4.03Å; N263-L455 WeakPolarHBondContact ND2-CD2 3.24Å; L291-L455 HydrophobicContact CD1-CD1 4.42Å; E451-L455 HydrophobicContact CG-CD1 4.14Å; E451-L455 HydrophobicContact CG-CG 4.24Å; E451-L455 WeakPolarHBondContact O-CG 3.41Å; E451-L455 PolarHBondContact O-N 2.84Å; M452-L455 PolarHBondContact O-N 2.83Å; L455-K457 VanDerWaalsContact C-N 3.35Å; L455-F458 WeakPolarHBondContact O-CB 3.39Å; L455-F458 PolarHBondContact O-N 3.24Å; L455-E459 WeakPolarHBondContact O-CB 3.41Å; L455-E459 WeakPolarHBondContact O-CG 3.45Å; L455-E459 PolarHBondContact O-N 3.27Å
456I77.7Confident70Confident1 Ų156.6 Ų56.61%0.00532%0.323CS..Hα-helixtrans-66.4-39.3177.1-71.3175.1000111L291 V433 M434 I437 M452 F458 E459 M460L291-I456 HydrophobicContact CD2-CG1 3.88Å; V433-I456 HydrophobicContact CG1-CG2 3.87Å; M434-I456 HydrophobicContact CE-CB 3.81Å; M434-I456 HydrophobicContact CE-CG2 3.56Å; M434-I456 HydrophobicContact SD-CG2 4.37Å; I437-I456 HydrophobicContact CD1-CD1 3.15Å; I437-I456 HydrophobicContact CD1-CG1 4.42Å; I437-I456 HydrophobicContact CD1-CG2 4.45Å; I437-I456 HydrophobicContact CG1-CD1 4.36Å; I437-I456 HydrophobicContact CG2-CD1 4.16Å; M452-I456 HydrophobicContact CE-CD1 3.52Å; M452-I456 HydrophobicContact CE-CG1 4.21Å; M452-I456 HydrophobicContact CG-CD1 4.12Å; M452-I456 PolarHBondContact O-N 2.96Å; M452-I456 HydrophobicContact SD-CD1 4.15Å; M452-I456 HydrophobicContact SD-CG1 4.47Å; I456-F458 VanDerWaalsContact C-N 3.33Å; I456-F458 PolarHBondContact O-N 3.41Å; I456-E459 CarbonylContact O-C 3.36Å; I456-E459 PolarHBondContact O-N 2.73Å; I456-M460 HydrophobicContact CG2-CG 4.36Å; I456-M460 HydrophobicContact CG2-SD 4.3Å; I456-M460 WeakPolarHBondContact O-CB 3.24Å; I456-M460 VanDerWaalsContact O-CG 3.25Å; I456-M460 WeakPolarHBondContact O-CG 3.28Å; I456-M460 PolarHBondContact O-N 3.2Å
457K75.5Confident69.9Low91 Ų9152.3 Ų52.340%0.39631%0.305SS..Hα-helixtrans-58.7-46.1173.7-173.5-176.3-170.990.60111.5E430 M434 N453 R454 L455 M460 E461E430-K457 WeakPolarHBondContact OE1-CD 3.22Å; E430-K457 VanDerWaalsContact OE1-CG 3.27Å; E430-K457 WeakPolarHBondContact OE1-CG 3.47Å; E430-K457 IonicContact OE1-NZ 2.84Å; E430-K457 PolarHBondContact OE1-NZ 2.97Å; E430-K457 IonicContact OE2-NZ 2.73Å; E430-K457 PolarHBondContact OE2-NZ 3.22Å; M434-K457 HydrophobicContact CE-CB 4.45Å; N453-K457 WeakPolarHBondContact O-CB 3.34Å; N453-K457 PolarHBondContact O-N 2.66Å; R454-K457 PolarHBondContact O-N 3.28Å; L455-K457 VanDerWaalsContact C-N 3.35Å; K457-M460 WeakPolarHBondContact O-CA 3.32Å; K457-M460 WeakPolarHBondContact O-CB 3.35Å; K457-M460 PolarHBondContact O-N 3.33Å; K457-E461 PolarHBondContact O-N 3.39Å; K457-E461 VanDerWaalsContact O-N 3.13Å
458F72.6Confident69.9Low70 Ų7052 Ų5231%0.30731%0.307SS..Hα-helixtrans-60.9-45175.4-179.2-97.1000111.8D10 Y11 R454 L455 I456 M460 E461D10-F458 WeakPolarHBondContact O-CE2 3.28Å; D10-F458 WeakPolarHBondContact O-CZ 3.46Å; Y11-F458 HydrophobicContact CD2-CE1 4.15Å; R454-F458 PolarHBondContact O-N 3.4Å; L455-F458 WeakPolarHBondContact O-CB 3.39Å; L455-F458 PolarHBondContact O-N 3.24Å; I456-F458 VanDerWaalsContact C-N 3.33Å; I456-F458 PolarHBondContact O-N 3.41Å; F458-M460 PolarHBondContact O-N 3.47Å; F458-M460 VanDerWaalsContact O-N 3.13Å; F458-E461 PolarHBondContact O-N 2.93Å
459E72.7Confident69.7Low24 Ų2454.1 Ų54.111%0.11232%0.321CS..THydrogen-bonded Turntrans-66.2-7171.6-72.4-63.7163.700113F318 K349 L455 I456F318-E459 HydrophobicContact CD1-CB 4.18Å; F318-E459 HydrophobicContact CD1-CG 4.3Å; F318-E459 HydrophobicContact CE1-CB 3.68Å; F318-E459 HydrophobicContact CE1-CG 4.2Å; F318-E459 HydrophobicContact CE2-CB 4.3Å; F318-E459 HydrophobicContact CZ-CB 3.74Å; F318-E459 WeakPolarHBondContact CZ-O 3.43Å; K349-E459 WeakPolarHBondContact CD-O 3.19Å; K349-E459 WeakPolarHBondContact CE-O 3.33Å; K349-E459 PolarHBondContact NZ-O 3.09Å; L455-E459 WeakPolarHBondContact O-CB 3.41Å; L455-E459 WeakPolarHBondContact O-CG 3.45Å; L455-E459 PolarHBondContact O-N 3.27Å; I456-E459 CarbonylContact O-C 3.36Å; I456-E459 PolarHBondContact O-N 2.73Å
460M74.7Confident69.2Low12 Ų1256.8 Ų56.86%0.05934%0.336CS..THydrogen-bonded Turntrans-101.9-16.2174.9-78-164.667.300113.5T429 E430 V433 I456 K457 F458 G462 S463T429-M460 HydrophobicContact CG2-CE 3.63Å; E430-M460 HydrophobicContact CB-CE 4.24Å; E430-M460 HydrophobicContact CB-SD 4.3Å; E430-M460 HydrophobicContact CG-SD 4.38Å; V433-M460 HydrophobicContact CB-CE 4.18Å; V433-M460 HydrophobicContact CB-SD 3.53Å; V433-M460 VanDerWaalsContact CB-SD 3.53Å; V433-M460 HydrophobicContact CG1-SD 3.66Å; V433-M460 HydrophobicContact CG2-CE 3.72Å; V433-M460 HydrophobicContact CG2-SD 3.65Å; I456-M460 HydrophobicContact CG2-CG 4.36Å; I456-M460 HydrophobicContact CG2-SD 4.3Å; I456-M460 WeakPolarHBondContact O-CB 3.24Å; I456-M460 VanDerWaalsContact O-CG 3.25Å; I456-M460 WeakPolarHBondContact O-CG 3.28Å; I456-M460 PolarHBondContact O-N 3.2Å; K457-M460 WeakPolarHBondContact O-CA 3.32Å; K457-M460 WeakPolarHBondContact O-CB 3.35Å; K457-M460 PolarHBondContact O-N 3.33Å; F458-M460 PolarHBondContact O-N 3.47Å; F458-M460 VanDerWaalsContact O-N 3.13Å; M460-G462 PolarHBondContact O-N 2.97Å; M460-S463 VanDerWaalsContact CA-OG 3.24Å; M460-S463 WeakPolarHBondContact CA-OG 3.45Å; M460-S463 VanDerWaalsContact O-CB 3.27Å; M460-S463 WeakPolarHBondContact O-CB 3.35Å; M460-S463 PolarHBondContact O-N 3.35Å; M460-S463 PolarHBondContact O-OG 3.27Å
461E68.8Low68.9Low108 Ų10856.7 Ų56.751%0.50533%0.334SS..THydrogen-bonded Turntrans-58.8126.9175.8-69179.9-177.700110.1K457 F458 S463K457-E461 PolarHBondContact O-N 3.39Å; K457-E461 VanDerWaalsContact O-N 3.13Å; F458-E461 PolarHBondContact O-N 2.93Å; E461-S463 VanDerWaalsContact C-N 3.34Å; E461-S463 PolarHBondContact O-N 3.15Å
462G62.3Low68.7Low58 Ų5858.4 Ų58.460%0.59835%0.347SS*.THydrogen-bonded Turntrans74.215.2-178.100000115.8M460 I464M460-G462 PolarHBondContact O-N 2.97Å; G462-I464 PolarHBondContact O-N 3.22Å
463S56.5Low68Low13 Ų1362.9 Ų62.99%0.09137%0.374CS..  trans-80.5-4.7175.6-440000113.7K349 M460 E461K349-S463 VanDerWaalsContact CD-OG 3.3Å; K349-S463 WeakPolarHBondContact CD-OG 3.4Å; K349-S463 PolarHBondContact NZ-OG 3.25Å; M460-S463 VanDerWaalsContact CA-OG 3.24Å; M460-S463 WeakPolarHBondContact CA-OG 3.45Å; M460-S463 VanDerWaalsContact O-CB 3.27Å; M460-S463 WeakPolarHBondContact O-CB 3.35Å; M460-S463 PolarHBondContact O-N 3.35Å; M460-S463 PolarHBondContact O-OG 3.27Å; E461-S463 VanDerWaalsContact C-N 3.34Å; E461-S463 PolarHBondContact O-N 3.15Å
464I52Low67.3Low70 Ų7063 Ų6336%0.35938%0.378SS..  trans-112.3104179.9-62.1166.5000107.7E425 E426 G462E425-I464 HydrophobicContact CB-CD1 4.44Å; E425-I464 HydrophobicContact CG-CD1 4.16Å; E425-I464 HydrophobicContact CG-CG2 4.31Å; E426-I464 HydrophobicContact CB-CD1 3.79Å; E426-I464 HydrophobicContact CG-CD1 4.25Å; G462-I464 PolarHBondContact O-N 3.22Å
465G44.4Very low66.7Low140 Ų14054.5 Ų54.5100%1.44336%0.358SS*.  trans-174.60179.500000108.6

Retrieved 465 of 465 residues in 1259.4 ms (Link to these results)

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