A0A087Y9N8_POEFO Loading...

Cysteine-rich hydrophobic domain 2

AlphaFold DB (A0A3B3U4M8), UniProt , Accession A0A087Y9N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 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
1M46.5Very low51.8Low222 Ų222117.7 Ų117.7100%1.09457%0.567SS**  079.10-160.3170.2-166.900106.5
2M51.9Low52.2Low150 Ų150113.8 Ų113.874%0.73955%0.547SS*.  trans-144.6-20.8-176.2-163.2168.1-175.800109.8
3E46.3Very low52.5Low164 Ų164112.9 Ų112.977%0.76654%0.542SS*.Hα-helixtrans-64.2-44.4172-68.1164.7162.200112.2F5 D6 E7E3-F5 PolarHBondContact O-N 3.35Å; E3-D6 PolarHBondContact O-N 2.7Å; E3-E7 VanDerWaalsContact O-CB 3.29Å; E3-E7 WeakPolarHBondContact O-CB 3.19Å; E3-E7 PolarHBondContact O-N 3.03Å
4D51.3Low52.7Low96 Ų96113.9 Ų113.951%0.51355%0.545SS..Hα-helixtrans-63.4-14.7-176.6-158.242.6000114.9I8D4-I8 VanDerWaalsContact O-CD1 3.24Å; D4-I8 WeakPolarHBondContact O-CD1 3.32Å; D4-I8 WeakPolarHBondContact O-CG1 3.43Å
5F47Very low53Low95 Ų95115.5 Ų115.542%0.41755%0.552SS.*Hα-helixtrans-90.1-50177.6-174.5-107.7000111.1E3 E7 I8 Y9 W106E3-F5 PolarHBondContact O-N 3.35Å; F5-E7 VanDerWaalsContact C-N 3.26Å; F5-E7 PolarHBondContact O-N 3.16Å; F5-I8 PolarHBondContact O-N 3.35Å; F5-Y9 HydrophobicContact CD1-CD2 4.14Å; F5-Y9 AromaticContact CD1-CE2 3.53Å; F5-Y9 HydrophobicContact CD1-CE2 3.53Å; F5-Y9 HydrophobicContact CD2-CE2 4.04Å; F5-Y9 HydrophobicContact CE1-CD2 4.21Å; F5-Y9 AromaticContact CE1-CE2 3.24Å; F5-Y9 HydrophobicContact CE1-CE2 3.24Å; F5-Y9 AromaticContact CE1-CZ 3.84Å; F5-Y9 AromaticContact CE2-CE2 3.82Å; F5-Y9 HydrophobicContact CE2-CE2 3.82Å; F5-Y9 AromaticContact CG-CE2 3.94Å; F5-Y9 HydrophobicContact CG-CE2 3.94Å; F5-Y9 AromaticContact CZ-CE2 3.41Å; F5-Y9 HydrophobicContact CZ-CE2 3.41Å; F5-Y9 VanDerWaalsContact CZ-CE2 3.41Å; F5-Y9 AromaticContact CZ-CZ 3.7Å; F5-Y9 WeakPolarHBondContact CZ-OH 3.22Å; F5-Y9 WeakPolarHBondContact O-CD2 3.47Å; F5-W106 HydrophobicContact CD2-CZ3 4.25Å; F5-W106 AromaticContact CE2-CE3 3.61Å; F5-W106 HydrophobicContact CE2-CE3 3.61Å; F5-W106 AromaticContact CE2-CH2 3.82Å; F5-W106 HydrophobicContact CE2-CH2 3.82Å; F5-W106 AromaticContact CE2-CZ3 3.08Å; F5-W106 HydrophobicContact CE2-CZ3 3.08Å; F5-W106 AromaticContact CZ-CE3 3.62Å; F5-W106 HydrophobicContact CZ-CE3 3.62Å; F5-W106 HydrophobicContact CZ-CH2 4.45Å; F5-W106 AromaticContact CZ-CZ3 3.35Å; F5-W106 HydrophobicContact CZ-CZ3 3.35Å
6D53.4Low53.4Low84 Ų84113.3 Ų113.345%0.44954%0.541SS..Hα-helixtrans-63.6-35.1178.4-69.5-21000110.8E3 I8 Y9 E10E3-D6 PolarHBondContact O-N 2.7Å; D6-I8 PolarHBondContact O-N 3.34Å; D6-Y9 PolarHBondContact O-N 2.95Å; D6-Y9 VanDerWaalsContact O-N 3.1Å; D6-E10 PolarHBondContact O-N 3.32Å
7E53.2Low53.7Low102 Ų102111.9 Ų111.948%0.47754%0.537SS..Hα-helixtrans-62.3-37.8177.6-163.6160.5-164.400112.7E3 F5 Y9 E10 E11E3-E7 VanDerWaalsContact O-CB 3.29Å; E3-E7 WeakPolarHBondContact O-CB 3.19Å; E3-E7 PolarHBondContact O-N 3.03Å; F5-E7 VanDerWaalsContact C-N 3.26Å; F5-E7 PolarHBondContact O-N 3.16Å; E7-Y9 VanDerWaalsContact C-N 3.31Å; E7-Y9 PolarHBondContact O-N 3.16Å; E7-E10 PolarHBondContact O-N 3.13Å; E7-E11 WeakPolarHBondContact O-CB 3.44Å; E7-E11 WeakPolarHBondContact O-CG 3.38Å; E7-E11 PolarHBondContact O-N 3.08Å
8I55Low53.8Low85 Ų85113.7 Ų113.744%0.43655%0.545SS..Hα-helixtrans-69.6-28.5175.9-63.9169.3000112D4 F5 D6 E12D4-I8 VanDerWaalsContact O-CD1 3.24Å; D4-I8 WeakPolarHBondContact O-CD1 3.32Å; D4-I8 WeakPolarHBondContact O-CG1 3.43Å; F5-I8 PolarHBondContact O-N 3.35Å; D6-I8 PolarHBondContact O-N 3.34Å; I8-E12 WeakPolarHBondContact O-CB 3.46Å; I8-E12 WeakPolarHBondContact O-CG 3.32Å; I8-E12 PolarHBondContact O-N 3.23Å; I8-E12 VanDerWaalsContact O-N 3.12Å
9Y59.2Low54Low60 Ų60113.9 Ų113.924%0.23555%0.549CS..Hα-helixtrans-77.8-39.5174.7-72-82.7000112.2F5 D6 E7 E13 W106F5-Y9 HydrophobicContact CD1-CD2 4.14Å; F5-Y9 AromaticContact CD1-CE2 3.53Å; F5-Y9 HydrophobicContact CD1-CE2 3.53Å; F5-Y9 HydrophobicContact CD2-CE2 4.04Å; F5-Y9 HydrophobicContact CE1-CD2 4.21Å; F5-Y9 AromaticContact CE1-CE2 3.24Å; F5-Y9 HydrophobicContact CE1-CE2 3.24Å; F5-Y9 AromaticContact CE1-CZ 3.84Å; F5-Y9 AromaticContact CE2-CE2 3.82Å; F5-Y9 HydrophobicContact CE2-CE2 3.82Å; F5-Y9 AromaticContact CG-CE2 3.94Å; F5-Y9 HydrophobicContact CG-CE2 3.94Å; F5-Y9 AromaticContact CZ-CE2 3.41Å; F5-Y9 HydrophobicContact CZ-CE2 3.41Å; F5-Y9 VanDerWaalsContact CZ-CE2 3.41Å; F5-Y9 AromaticContact CZ-CZ 3.7Å; F5-Y9 WeakPolarHBondContact CZ-OH 3.22Å; F5-Y9 WeakPolarHBondContact O-CD2 3.47Å; D6-Y9 PolarHBondContact O-N 2.95Å; D6-Y9 VanDerWaalsContact O-N 3.1Å; E7-Y9 VanDerWaalsContact C-N 3.31Å; E7-Y9 PolarHBondContact O-N 3.16Å; Y9-E13 WeakPolarHBondContact O-CB 3.41Å; Y9-E13 WeakPolarHBondContact O-CG 3.48Å; Y9-E13 PolarHBondContact O-N 2.96Å; Y9-W106 HydrophobicContact CE2-CZ3 4.45Å; Y9-W106 AromaticContact CZ-CZ3 3.96Å; Y9-W106 WeakPolarHBondContact OH-CZ3 3.25Å
10E55.5Low54.4Low123 Ų123115.2 Ų115.258%0.57555%0.548SS*.Hα-helixtrans-64-43.8174.9-71.4-179.1177.200109.9D6 E7 E13 E14D6-E10 PolarHBondContact O-N 3.32Å; E7-E10 PolarHBondContact O-N 3.13Å; E10-E13 PolarHBondContact O-N 2.88Å; E10-E14 VanDerWaalsContact O-CB 3.27Å; E10-E14 WeakPolarHBondContact O-CB 3.28Å; E10-E14 VanDerWaalsContact O-CG 3.24Å; E10-E14 WeakPolarHBondContact O-CG 3.39Å; E10-E14 PolarHBondContact O-N 2.92Å
11E50.4Low54.6Low114 Ų114112.1 Ų112.153%0.53354%0.542SS..Hα-helixtrans-63.5-43.1174.6-75.6-178.9164.700113.2E7 E14 E15E7-E11 WeakPolarHBondContact O-CB 3.44Å; E7-E11 WeakPolarHBondContact O-CG 3.38Å; E7-E11 PolarHBondContact O-N 3.08Å; E11-E14 PolarHBondContact O-N 3.43Å; E11-E15 PolarHBondContact O-N 3.39Å
12E56.8Low55.2Low71 Ų71104.2 Ų104.233%0.33251%0.512SS..Hα-helixtrans-67.3-35.1176.1-81.9-171.6173.500112.5I8 E16 K113I8-E12 WeakPolarHBondContact O-CB 3.46Å; I8-E12 WeakPolarHBondContact O-CG 3.32Å; I8-E12 PolarHBondContact O-N 3.23Å; I8-E12 VanDerWaalsContact O-N 3.12Å; E12-E16 PolarHBondContact O-N 3.49Å; E12-K113 IonicContact OE1-NZ 3.98Å; E12-K113 IonicContact OE2-NZ 2.64Å; E12-K113 PolarHBondContact OE2-NZ 3.05Å
13E56.5Low55.7Low102 Ų102101.2 Ų101.248%0.47750%0.496SS..Hα-helixtrans-75-36.2175.6-74.6-162153.400111.8Y9 E10 E16 D17 K142Y9-E13 WeakPolarHBondContact O-CB 3.41Å; Y9-E13 WeakPolarHBondContact O-CG 3.48Å; Y9-E13 PolarHBondContact O-N 2.96Å; E10-E13 PolarHBondContact O-N 2.88Å; E13-E16 PolarHBondContact O-N 2.94Å; E13-D17 WeakPolarHBondContact O-CB 3.29Å; E13-D17 PolarHBondContact O-N 3.13Å; E13-K142 IonicContact OE1-NZ 3.96Å; E13-K142 PolarHBondContact OE1-NZ 3.22Å
14E54.7Low56.3Low126 Ų12699.5 Ų99.559%0.58949%0.488SS*.Hα-helixtrans-66.5-41.4174.1-76.4-177.3177.600112E10 E11 D17 E18E10-E14 VanDerWaalsContact O-CB 3.27Å; E10-E14 WeakPolarHBondContact O-CB 3.28Å; E10-E14 VanDerWaalsContact O-CG 3.24Å; E10-E14 WeakPolarHBondContact O-CG 3.39Å; E10-E14 PolarHBondContact O-N 2.92Å; E11-E14 PolarHBondContact O-N 3.43Å; E14-D17 PolarHBondContact O-N 2.95Å; E14-E18 WeakPolarHBondContact O-CB 3.32Å; E14-E18 WeakPolarHBondContact O-CG 3.38Å; E14-E18 PolarHBondContact O-N 3.24Å
15E57.6Low56.5Low138 Ų138102.5 Ų102.565%0.64550%0.499SS*.Hα-helixtrans-62.6-43.8171.8-79.6-169.5166.800111.7E11 D17 E18 D19E11-E15 PolarHBondContact O-N 3.39Å; E15-D17 VanDerWaalsContact C-N 3.3Å; E15-D17 PolarHBondContact O-N 3.12Å; E15-E18 PolarHBondContact O-N 3.02Å; E15-D19 WeakPolarHBondContact O-CB 3.27Å; E15-D19 PolarHBondContact O-N 3.41Å; E15-D19 VanDerWaalsContact O-N 3.1Å
16E59.3Low57Low80 Ų80105.3 Ų105.337%0.37452%0.518SS..Hα-helixtrans-62.7-34.7175.4-81.8-173.7-172.600111.8E12 E13 R20 R116E12-E16 PolarHBondContact O-N 3.49Å; E13-E16 PolarHBondContact O-N 2.94Å; E16-R20 WeakPolarHBondContact O-CB 3.48Å; E16-R20 PolarHBondContact O-N 3.24Å; E16-R116 IonicContact OE1-CZ 2.66Å; E16-R116 IonicContact OE1-NH1 3.54Å; E16-R116 PolarHBondContact OE1-NH1 3.41Å; E16-R116 IonicContact OE1-NH2 3.77Å; E16-R116 PolarHBondContact OE1-NH2 3.14Å
17D57.7Low57.2Low90 Ų90103.8 Ų103.848%0.48151%0.51SS..Hα-helixtrans-80.8-33.7179-82.7-27.6000113.4E13 E14 E15 R20 A21E13-D17 WeakPolarHBondContact O-CB 3.29Å; E13-D17 PolarHBondContact O-N 3.13Å; E14-D17 PolarHBondContact O-N 2.95Å; E15-D17 VanDerWaalsContact C-N 3.3Å; E15-D17 PolarHBondContact O-N 3.12Å; D17-R20 WeakPolarHBondContact O-CB 3.25Å; D17-R20 PolarHBondContact O-N 3.45Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 3.28Å
18E55.9Low57.4Low145 Ų145107.1 Ų107.168%0.67852%0.522SS*.Hα-helixtrans-66.9-45.2173.6-80.8-164.4158.900111.9E14 E15 R20 A21 A22E14-E18 WeakPolarHBondContact O-CB 3.32Å; E14-E18 WeakPolarHBondContact O-CG 3.38Å; E14-E18 PolarHBondContact O-N 3.24Å; E15-E18 PolarHBondContact O-N 3.02Å; E18-R20 PolarHBondContact O-N 3.4Å; E18-A21 PolarHBondContact O-N 2.98Å; E18-A22 PolarHBondContact O-N 2.88Å
19D58.8Low57.6Low117 Ų117114.1 Ų114.163%0.62655%0.545SS*.Hα-helixtrans-58.8-38.9172.9-85.9-20.4000110.8E15 A22 E23E15-D19 WeakPolarHBondContact O-CB 3.27Å; E15-D19 PolarHBondContact O-N 3.41Å; E15-D19 VanDerWaalsContact O-N 3.1Å; D19-A22 PolarHBondContact O-N 2.97Å; D19-E23 WeakPolarHBondContact O-CG 3.49Å; D19-E23 PolarHBondContact O-N 3.48Å
20R61.9Low57.9Low139 Ų139112.8 Ų112.853%0.52555%0.546SS..Hα-helixtrans-67.5-40.2177.8-162.7179.3116.6-172.4-1.5112.5E16 D17 E18 A22 E23 E24E16-R20 WeakPolarHBondContact O-CB 3.48Å; E16-R20 PolarHBondContact O-N 3.24Å; D17-R20 WeakPolarHBondContact O-CB 3.25Å; D17-R20 PolarHBondContact O-N 3.45Å; D17-R20 IonicContact OD1-NH1 2.71Å; E18-R20 PolarHBondContact O-N 3.4Å; R20-A22 VanDerWaalsContact C-N 3.34Å; R20-E23 PolarHBondContact O-N 3.13Å; R20-E24 VanDerWaalsContact O-CB 3.29Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 PolarHBondContact O-N 3.4Å
21A58.6Low59.2Low51 Ų51110.8 Ų110.842%0.42154%0.544SS..Hα-helixtrans-66.8-36.5176.900000112D17 E18 E24 Q25D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 3.28Å; E18-A21 PolarHBondContact O-N 2.98Å; A21-E24 PolarHBondContact O-N 2.72Å; A21-Q25 PolarHBondContact O-N 2.83Å
22A59.2Low61Low57 Ų57112.3 Ų112.347%0.47156%0.556SS.*Hα-helixtrans-67.5-41.4174.700000112.3E18 D19 R20E18-A22 PolarHBondContact O-N 2.88Å; D19-A22 PolarHBondContact O-N 2.97Å; R20-A22 VanDerWaalsContact C-N 3.34Å
23E61Low62.7Low86 Ų86110.7 Ų110.740%0.40255%0.551SS.*Hα-helixtrans-65.5-39.2173.4-75.6-170.8155.600112.6D19 R20 Q25 L26 L27 K139D19-E23 WeakPolarHBondContact O-CG 3.49Å; D19-E23 PolarHBondContact O-N 3.48Å; R20-E23 PolarHBondContact O-N 3.13Å; E23-Q25 VanDerWaalsContact C-N 3.31Å; E23-Q25 PolarHBondContact O-N 2.86Å; E23-L26 PolarHBondContact O-N 3.34Å; E23-L26 VanDerWaalsContact O-N 3.13Å; E23-L27 PolarHBondContact O-N 2.88Å; E23-K139 IonicContact OE2-NZ 3.16Å; E23-K139 PolarHBondContact OE2-NZ 3.12Å
24E58.7Low64.6Low128 Ų128106.6 Ų106.660%0.59853%0.533SS*.Hα-helixtrans-66.5-31.2-177.9-163.3169.6-159.800112.4R20 A21R20-E24 VanDerWaalsContact O-CB 3.29Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 PolarHBondContact O-N 3.4Å; A21-E24 PolarHBondContact O-N 2.72Å
25Q56.4Low66.5Low159 Ų159102.8 Ų102.874%0.74352%0.519SS*.Hα-helixtrans-69.8-30.8172.7-74.1-170.9-8.500113.4A21 E23A21-Q25 PolarHBondContact O-N 2.83Å; E23-Q25 VanDerWaalsContact C-N 3.31Å; E23-Q25 PolarHBondContact O-N 2.86Å
26L56.6Low68.4Low155 Ų15596.5 Ų96.581%0.81249%0.49SS*.Hα-helixtrans-77-26.3176.9-92156.4000113E23E23-L26 PolarHBondContact O-N 3.34Å; E23-L26 VanDerWaalsContact O-N 3.13Å
27L57.9Low70Confident52 Ų5295.5 Ų95.527%0.27248%0.482SS..  trans-93.74.7-173.3-73.8166.5000115.2E23 Y29 A30E23-L27 PolarHBondContact O-N 2.88Å; L27-Y29 PolarHBondContact O-N 3.4Å; L27-A30 HydrophobicContact CB-CB 4.33Å; L27-A30 HydrophobicContact CD2-CB 3.5Å; L27-A30 PolarHBondContact O-N 2.88Å
28K57.3Low71.7Confident172 Ų17292.4 Ų92.475%0.74847%0.472SS*.THydrogen-bonded Turntrans-53.7-13.3-176.4-105-178.1179.2176.30116.6
29Y59.3Low73.4Confident231 Ų23187.2 Ų87.291%0.90645%0.452SS*.THydrogen-bonded Turntrans-123.25.4176.9-66.3-82000114L27L27-Y29 PolarHBondContact O-N 3.4Å
30A66.4Low74.7Confident32 Ų3282.7 Ų82.726%0.26443%0.433SS..SBendtrans-83.6143.3178.500000110.6L27L27-A30 HydrophobicContact CB-CB 4.33Å; L27-A30 HydrophobicContact CD2-CB 3.5Å; L27-A30 PolarHBondContact O-N 2.88Å
31P82.2Confident75.7Confident82 Ų8285.2 Ų85.253%0.53245%0.45SS..PPolyproline II helixtrans-63.7152174.123.3-28.8000111.4F159P31-F159 HydrophobicContact CB-CD2 4.18Å; P31-F159 HydrophobicContact CG-CB 3.62Å; P31-F159 HydrophobicContact CG-CD1 4.5Å; P31-F159 HydrophobicContact CG-CD2 3.66Å; P31-F159 HydrophobicContact CG-CE2 4.44Å; P31-F159 HydrophobicContact CG-CG 3.68Å
32D88.4Confident76.9Confident145 Ų14585.8 Ų85.878%0.77545%0.448SS*.PPolyproline II helixtrans-53.3134.8-177.8-69.7-31.8000111.8F159D32-F159 WeakPolarHBondContact O-CE2 3.44Å
33P92.9Very high78Confident37 Ų3787.2 Ų87.224%0.2445%0.451CS..PPolyproline II helixtrans-66.2146.9-179.526.4-34.6000111.6I157 E158P33-I157 WeakPolarHBondContact CA-O 3.35Å; P33-E158 HydrophobicContact CB-CG 3.94Å
34V95.4Very high78.8Confident16 Ų1684.1 Ų84.110%0.09744%0.438CS..EExtended strand (participates in β ladder)trans-77.1127.7170.1-175.90000108.7P56 A58 L59 I157 F159V34-P56 HydrophobicContact CG1-CB 3.61Å; V34-P56 HydrophobicContact CG1-CG 3.96Å; V34-A58 HydrophobicContact CG2-CB 3.62Å; V34-L59 HydrophobicContact CG2-CD2 3.98Å; V34-L59 HydrophobicContact CG2-CG 4.35Å; V34-I157 HydrophobicContact CB-CB 4.17Å; V34-I157 PolarHBondContact N-O 3.14Å; V34-I157 PolarHBondContact O-N 3.02Å; V34-F159 HydrophobicContact CG2-CE2 4.05Å; V34-F159 HydrophobicContact CG2-CZ 3.97Å
35V95.4Very high79.8Confident47 Ų4783.4 Ų83.429%0.28543%0.433SS..EExtended strand (participates in β ladder)trans-100.6121.7-179.9-171.40000109.6R37 R143 V154 L156V35-R37 HydrophobicContact CG1-CG 3.97Å; V35-R143 VanDerWaalsContact CG2-NH1 3.31Å; V35-V154 HydrophobicContact CG1-CB 3.88Å; V35-V154 HydrophobicContact CG1-CG1 4.11Å; V35-V154 HydrophobicContact CG1-CG2 3.95Å; V35-L156 HydrophobicContact CB-CD2 4.34Å; V35-L156 HydrophobicContact CG1-CD2 4.18Å; V35-L156 HydrophobicContact CG2-CD2 3.85Å
36V96.2Very high81.2Confident6 Ų676.5 Ų76.54%0.03641%0.405CS..EExtended strand (participates in β ladder)trans-106.9110.4172.4-176.60000108.5F51 E52 P56 F68 I72 I155 I157V36-F51 HydrophobicContact CG1-CB 4.43Å; V36-E52 HydrophobicContact CG1-CB 4.13Å; V36-P56 HydrophobicContact CG2-CG 4.35Å; V36-F68 HydrophobicContact CG2-CE2 4.18Å; V36-F68 HydrophobicContact CG2-CZ 4.15Å; V36-I72 HydrophobicContact CG1-CD1 4.03Å; V36-I155 HydrophobicContact CB-CB 4.19Å; V36-I155 PolarHBondContact N-O 3.38Å; V36-I155 PolarHBondContact O-N 3.29Å; V36-I157 HydrophobicContact CG2-CD1 3.96Å
37R94.1Very high82.7Confident58 Ų5869.7 Ų69.722%0.21937%0.369CS..  trans-91.2166.9-175.3-62.3-167.5-176.3-101.8-2.9112.7V35 E52 E146 E152 V154V35-R37 HydrophobicContact CG1-CG 3.97Å; R37-E52 PolarHBondContact O-N 3.34Å; R37-E146 IonicContact CZ-OE1 3.71Å; R37-E146 IonicContact NE-OE1 3.18Å; R37-E146 IonicContact NH2-OE1 3.99Å; R37-E146 PolarHBondContact NH2-OE1 3.48Å; R37-E146 IonicContact NH2-OE2 3.94Å; R37-E152 IonicContact CZ-OE1 2.87Å; R37-E152 IonicContact NH1-OE1 3.84Å; R37-E152 PolarHBondContact NH1-OE1 3.27Å; R37-V154 HydrophobicContact CG-CG1 4.04Å
38G92.3Very high84.2Confident26 Ų2667.5 Ų67.527%0.26836%0.358SS..BIsolated β-bridgetrans-68.2133.6172.500000112.1K50G38-K50 CarbonylContact C-O 3.03Å; G38-K50 WeakPolarHBondContact CA-O 3.21Å
39S92.6Very high85.6Confident35 Ų3561.1 Ų61.125%0.24533%0.333CS..  trans-114.520.4173.358.20000112K50 F51 E52S39-K50 PolarHBondContact N-O 3.27Å; S39-F51 PolarHBondContact OG-O 2.83Å; S39-E52 WeakPolarHBondContact OG-CA 3.45Å; S39-E52 PolarHBondContact OG-N 3.23Å
40G85.8Confident87.2Confident22 Ų2253.4 Ų53.423%0.22730%0.304CS..  trans-88.3158.2-17500000114S48 N49 K50G40-S48 WeakPolarHBondContact CA-OG 3.23Å; G40-S48 PolarHBondContact N-OG 3.27Å; G40-N49 WeakPolarHBondContact CA-OD1 3.46Å; G40-K50 PolarHBondContact N-O 3.33Å
41H83.8Confident88.6Confident192 Ų19251.9 Ų51.989%0.88929%0.291SS*.SBendtrans-91.3-7.6173.4-59.2-63.5000113.5N49H41-N49 PolarHBondContact N-OD1 2.88Å
42V82.6Confident89.2Confident64 Ų6452.1 Ų52.139%0.38829%0.285SS..  trans-128128.9-179.4-176.70000108.6V44 N49V42-V44 HydrophobicContact CG1-CG2 4.3Å; V42-N49 HydrophobicContact CB-CB 4.32Å; V42-N49 WeakPolarHBondContact CB-ND2 2.95Å; V42-N49 WeakPolarHBondContact O-CB 3.33Å; V42-N49 PolarHBondContact O-N 3Å
43T82.5Confident89.5Confident87 Ų8747.1 Ų47.153%0.53426%0.261SS..EExtended strand (participates in β ladder)trans-126.3131.3177.6-57.70000108.9L47T43-L47 WeakPolarHBondContact CA-O 3.3Å
44V78.4Confident89.7Confident21 Ų2152.1 Ų52.113%0.12728%0.282CS..EExtended strand (participates in β ladder)trans-125.8117.7179.2-178.10000108.1V42 G46 L47 L83V42-V44 HydrophobicContact CG1-CG2 4.3Å; V44-G46 VanDerWaalsContact C-N 3.26Å; V44-G46 PolarHBondContact O-N 3.11Å; V44-L47 PolarHBondContact N-O 2.94Å; V44-L47 WeakPolarHBondContact O-CB 3.47Å; V44-L47 PolarHBondContact O-N 2.9Å; V44-L83 HydrophobicContact CG2-CD2 4.44Å
45F79.3Confident89.7Confident112 Ų11254 Ų5449%0.49129%0.288SS..THydrogen-bonded Turntrans48.344.7-174-58.1-72.9000113.6L47 V108 I109 Y153F45-L47 PolarHBondContact O-N 3.5Å; F45-V108 HydrophobicContact CE2-CG1 3.69Å; F45-V108 HydrophobicContact CZ-CG1 4.08Å; F45-I109 HydrophobicContact CE1-CG1 4.5Å; F45-I109 HydrophobicContact CZ-CG1 4.11Å; F45-Y153 WeakPolarHBondContact O-CE2 3.29Å
46G85.3Confident89.8Confident15 Ų1553 Ų5316%0.15528%0.284CS..THydrogen-bonded Turntrans78.5-7.8-178.700000115.2V44 M151 E152 Y153V44-G46 VanDerWaalsContact C-N 3.26Å; V44-G46 PolarHBondContact O-N 3.11Å; G46-M151 WeakPolarHBondContact CA-O 3.46Å; G46-E152 CarbonylContact O-C 3.58Å; G46-E152 WeakPolarHBondContact O-CA 3.43Å; G46-Y153 PolarHBondContact O-N 3.07Å
47L87.8Confident89.7Confident11 Ų1157.6 Ų57.66%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-90.3114.8176.6-173.664.5000110.7T43 V44 F45 F51 L79 T115 I119 Y153T43-L47 WeakPolarHBondContact CA-O 3.3Å; V44-L47 PolarHBondContact N-O 2.94Å; V44-L47 WeakPolarHBondContact O-CB 3.47Å; V44-L47 PolarHBondContact O-N 2.9Å; F45-L47 PolarHBondContact O-N 3.5Å; L47-F51 HydrophobicContact CD1-CE2 4.32Å; L47-F51 HydrophobicContact CD1-CZ 4.05Å; L47-L79 HydrophobicContact CD1-CD2 4.43Å; L47-L79 HydrophobicContact CD2-CD2 3.91Å; L47-L79 HydrophobicContact CG-CD2 4.1Å; L47-T115 HydrophobicContact CD2-CG2 3.92Å; L47-I119 HydrophobicContact CD1-CD1 4.22Å; L47-I119 HydrophobicContact CD2-CD1 4.07Å; L47-Y153 HydrophobicContact CB-CD2 4.06Å; L47-Y153 HydrophobicContact CD1-CG 4.34Å
48S89.3Confident89.7Confident6 Ų657.7 Ų57.74%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-69.3146.5174.6174.20000111.5G40 K50G40-S48 WeakPolarHBondContact CA-OG 3.23Å; G40-S48 PolarHBondContact N-OG 3.27Å; S48-K50 PolarHBondContact O-N 2.92Å; S48-K50 PolarHBondContact OG-N 3.47Å; S48-K50 PolarHBondContact OG-O 2.94Å
49N87.3Confident89.8Confident39 Ų3956.5 Ų56.521%0.20932%0.316CS..SBendtrans-71-7.8174.967.9-2.9000115.4G40 H41 V42 L83G40-N49 WeakPolarHBondContact CA-OD1 3.46Å; H41-N49 PolarHBondContact N-OD1 2.88Å; V42-N49 HydrophobicContact CB-CB 4.32Å; V42-N49 WeakPolarHBondContact CB-ND2 2.95Å; V42-N49 WeakPolarHBondContact O-CB 3.33Å; V42-N49 PolarHBondContact O-N 3Å; N49-L83 HydrophobicContact CB-CD1 3.12Å; N49-L83 HydrophobicContact CB-CD2 3.99Å; N49-L83 HydrophobicContact CB-CG 4.18Å
50K92.8Very high89.9Confident69 Ų6959.5 Ų59.530%0.333%0.333SS..  trans-155137.5-179.8-174.7-172171-157.20109.6G38 S39 G40 S48 N76G38-K50 CarbonylContact C-O 3.03Å; G38-K50 WeakPolarHBondContact CA-O 3.21Å; S39-K50 PolarHBondContact N-O 3.27Å; G40-K50 PolarHBondContact N-O 3.33Å; S48-K50 PolarHBondContact O-N 2.92Å; S48-K50 PolarHBondContact OG-N 3.47Å; S48-K50 PolarHBondContact OG-O 2.94Å; K50-N76 WeakPolarHBondContact CA-OD1 3.35Å
51F95.4Very high90.3Very high0 Ų062.2 Ų62.20%036%0.362CS..BIsolated β-bridgetrans-95.9147.1167-71.4-76.9000111.2V36 S39 L47 S53 I72 V75 N76 L79 L140 Y153 I155V36-F51 HydrophobicContact CG1-CB 4.43Å; S39-F51 PolarHBondContact OG-O 2.83Å; L47-F51 HydrophobicContact CD1-CE2 4.32Å; L47-F51 HydrophobicContact CD1-CZ 4.05Å; F51-S53 PolarHBondContact O-N 3.3Å; F51-I72 HydrophobicContact CB-CD1 4.48Å; F51-V75 HydrophobicContact CD2-CG1 3.76Å; F51-V75 HydrophobicContact CE2-CG1 4.04Å; F51-N76 PolarHBondContact N-OD1 3.39Å; F51-N76 PolarHBondContact O-ND2 3.42Å; F51-N76 VanDerWaalsContact O-ND2 3.13Å; F51-L79 HydrophobicContact CD2-CD1 3.67Å; F51-L79 HydrophobicContact CE2-CD1 3.75Å; F51-L140 HydrophobicContact CZ-CD1 4.08Å; F51-Y153 WeakPolarHBondContact CE1-O 3.44Å; F51-I155 HydrophobicContact CB-CD1 4.36Å; F51-I155 HydrophobicContact CD1-CD1 4.06Å; F51-I155 HydrophobicContact CD1-CG1 4.17Å; F51-I155 HydrophobicContact CD2-CD1 3.79Å; F51-I155 HydrophobicContact CD2-CG1 4.43Å; F51-I155 HydrophobicContact CE1-CD1 4.32Å; F51-I155 HydrophobicContact CE1-CG1 4.02Å; F51-I155 HydrophobicContact CE2-CD1 4.03Å; F51-I155 HydrophobicContact CE2-CG1 4.26Å; F51-I155 HydrophobicContact CG-CD1 3.8Å; F51-I155 HydrophobicContact CG-CG1 4.38Å; F51-I155 HydrophobicContact CZ-CD1 4.3Å; F51-I155 HydrophobicContact CZ-CG1 4.06Å
52E95.7Very high90.8Very high86 Ų8657.8 Ų57.840%0.40234%0.34SS..  trans-48.5129171.1-164.397.5-95.100110.9V36 R37 S39 E54V36-E52 HydrophobicContact CG1-CB 4.13Å; R37-E52 PolarHBondContact O-N 3.34Å; S39-E52 WeakPolarHBondContact OG-CA 3.45Å; S39-E52 PolarHBondContact OG-N 3.23Å; E52-E54 HydrophobicContact CG-CB 4Å
53S94.6Very high91.5Very high40 Ų4055.4 Ų55.428%0.2833%0.325SS..  trans-107.53.2177.362.20000113F51F51-S53 PolarHBondContact O-N 3.3Å
54E96.7Very high92.1Very high143 Ų14353.5 Ų53.567%0.66832%0.319SS*.SBendtrans-68.2138.3171.7-174.2168.8-171.600109.5E52 P56 F68E52-E54 HydrophobicContact CG-CB 4Å; E54-P56 WeakPolarHBondContact O-CD 3.44Å; E54-F68 WeakPolarHBondContact O-CE1 3.42Å
55F96.9Very high93Very high54 Ų5455.4 Ų55.424%0.23733%0.331CS..PPolyproline II helixtrans-74.4121.8-175.6-178.1-104.5000110.6S57 L59 V63 P65 F68F55-S57 PolarHBondContact O-N 3.23Å; F55-L59 HydrophobicContact CE1-CB 4.39Å; F55-L59 HydrophobicContact CE2-CB 4.03Å; F55-L59 HydrophobicContact CZ-CB 3.7Å; F55-V63 HydrophobicContact CE2-CG1 4.09Å; F55-V63 HydrophobicContact CZ-CG1 4.45Å; F55-P65 HydrophobicContact CB-CB 4.37Å; F55-P65 HydrophobicContact CD1-CG 4.21Å; F55-P65 HydrophobicContact CD2-CB 3.87Å; F55-P65 HydrophobicContact CD2-CG 4.19Å; F55-P65 HydrophobicContact CE1-CG 4.21Å; F55-P65 HydrophobicContact CE2-CB 4.24Å; F55-P65 HydrophobicContact CE2-CG 4.18Å; F55-P65 HydrophobicContact CG-CB 3.99Å; F55-P65 HydrophobicContact CG-CG 4.18Å; F55-P65 HydrophobicContact CZ-CG 4.19Å; F55-F68 HydrophobicContact CD2-CB 3.81Å; F55-F68 AromaticContact CD2-CD1 3.93Å; F55-F68 HydrophobicContact CD2-CD1 3.93Å; F55-F68 AromaticContact CD2-CG 3.84Å; F55-F68 HydrophobicContact CD2-CG 3.84Å; F55-F68 HydrophobicContact CE2-CB 3.94Å; F55-F68 HydrophobicContact CE2-CG 4.26Å
56P95.7Very high93.9Very high28 Ų2856.4 Ų56.418%0.18234%0.337CS..PPolyproline II helixtrans-68.8124.9178.1-17.230.1000110.9V34 V36 E54 A58 L59 F68V34-P56 HydrophobicContact CG1-CB 3.61Å; V34-P56 HydrophobicContact CG1-CG 3.96Å; V36-P56 HydrophobicContact CG2-CG 4.35Å; E54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-A58 PolarHBondContact O-N 3.07Å; P56-A58 VanDerWaalsContact O-N 3.13Å; P56-L59 HydrophobicContact CB-CD1 4.29Å; P56-L59 HydrophobicContact CB-CG 4.25Å; P56-L59 HydrophobicContact CG-CD1 3.98Å; P56-L59 HydrophobicContact CG-CG 4.48Å; P56-L59 WeakPolarHBondContact O-CB 3.41Å; P56-L59 PolarHBondContact O-N 2.87Å; P56-F68 VanDerWaalsContact CD-CZ 3.41Å; P56-F68 HydrophobicContact CG-CE2 3.87Å; P56-F68 HydrophobicContact CG-CZ 3.8Å
57S95Very high94.5Very high102 Ų10259 Ų5971%0.71335%0.346SS*.G310 helixtrans-58.5-28.9179.658.90000113.1F55 L59 T60F55-S57 PolarHBondContact O-N 3.23Å; S57-L59 PolarHBondContact O-N 3.09Å; S57-L59 VanDerWaalsContact O-N 3.16Å; S57-T60 WeakPolarHBondContact O-CB 3.27Å; S57-T60 PolarHBondContact O-N 3.47Å; S57-T60 PolarHBondContact O-OG1 3.08Å
58A94.2Very high94.9Very high60 Ų6058.5 Ų58.550%0.49634%0.343SS..G310 helixtrans-61.9-18.2175.100000114.2V34 P56V34-A58 HydrophobicContact CG2-CB 3.62Å; P56-A58 PolarHBondContact O-N 3.07Å; P56-A58 VanDerWaalsContact O-N 3.13Å
59L94.9Very high95.3Very high0 Ų063.7 Ų63.70%037%0.365CS..G310 helixtrans-93.9-0.9176.7-62.6-178.7000113.3V34 F55 P56 S57 G61 K62 V63 F68 L136 I157 F159V34-L59 HydrophobicContact CG2-CD2 3.98Å; V34-L59 HydrophobicContact CG2-CG 4.35Å; F55-L59 HydrophobicContact CE1-CB 4.39Å; F55-L59 HydrophobicContact CE2-CB 4.03Å; F55-L59 HydrophobicContact CZ-CB 3.7Å; P56-L59 HydrophobicContact CB-CD1 4.29Å; P56-L59 HydrophobicContact CB-CG 4.25Å; P56-L59 HydrophobicContact CG-CD1 3.98Å; P56-L59 HydrophobicContact CG-CG 4.48Å; P56-L59 WeakPolarHBondContact O-CB 3.41Å; P56-L59 PolarHBondContact O-N 2.87Å; S57-L59 PolarHBondContact O-N 3.09Å; S57-L59 VanDerWaalsContact O-N 3.16Å; L59-G61 PolarHBondContact O-N 3.16Å; L59-K62 WeakPolarHBondContact O-CB 3.38Å; L59-K62 PolarHBondContact O-N 2.71Å; L59-V63 HydrophobicContact CB-CG1 3.98Å; L59-V63 HydrophobicContact CD1-CG1 4.15Å; L59-V63 PolarHBondContact O-N 2.94Å; L59-F68 HydrophobicContact CD1-CD2 3.76Å; L59-F68 HydrophobicContact CD1-CE2 4Å; L59-L136 HydrophobicContact CD2-CD1 4.42Å; L59-L136 HydrophobicContact CD2-CD2 4.43Å; L59-I157 HydrophobicContact CD1-CD1 3.72Å; L59-I157 HydrophobicContact CD2-CG2 4.09Å; L59-F159 HydrophobicContact CD2-CZ 4.47Å
60T95Very high95.8Very high98 Ų9863.2 Ų63.260%0.60137%0.366SS*.THydrogen-bonded Turntrans-57.3129179.5-57.10000110.6S57 K62S57-T60 WeakPolarHBondContact O-CB 3.27Å; S57-T60 PolarHBondContact O-N 3.47Å; S57-T60 PolarHBondContact O-OG1 3.08Å; T60-K62 PolarHBondContact O-N 3.14Å
61G93.7Very high96.1Very high80 Ų8060 Ų6083%0.82535%0.352SS*.THydrogen-bonded Turntrans75.62.7-177.200000115L59L59-G61 PolarHBondContact O-N 3.16Å
62K93.9Very high96.2Very high99 Ų9960 Ų6043%0.4335%0.352SS..THydrogen-bonded Turntrans-107.3-41.5175-59-58.4-170.976.20112.9L59 T60 L136L59-K62 WeakPolarHBondContact O-CB 3.38Å; L59-K62 PolarHBondContact O-N 2.71Å; T60-K62 PolarHBondContact O-N 3.14Å; K62-L136 HydrophobicContact CB-CD1 4.39Å
63V96.6Very high96.2Very high13 Ų1359.1 Ų59.18%0.07935%0.35CS..SBendtrans-139.4149.3176.661.40000110F55 L59 E67 L130 Y131 L134 L136F55-V63 HydrophobicContact CE2-CG1 4.09Å; F55-V63 HydrophobicContact CZ-CG1 4.45Å; L59-V63 HydrophobicContact CB-CG1 3.98Å; L59-V63 HydrophobicContact CD1-CG1 4.15Å; L59-V63 PolarHBondContact O-N 2.94Å; V63-E67 HydrophobicContact CG2-CB 4Å; V63-L130 HydrophobicContact CG2-CD2 4.47Å; V63-Y131 HydrophobicContact CB-CE1 4.46Å; V63-Y131 HydrophobicContact CG2-CE1 3.92Å; V63-L134 HydrophobicContact CB-CD1 3.87Å; V63-L134 HydrophobicContact CG2-CD1 3.84Å; V63-L136 HydrophobicContact CB-CD1 4.43Å; V63-L136 HydrophobicContact CG1-CD1 4.44Å
64A96.6Very high96.2Very high48 Ų4861.6 Ų61.640%0.39735%0.354SS..  trans-67.9136.8174.500000110.9E66 E67 F68A64-E66 PolarHBondContact O-N 3.33Å; A64-E66 VanDerWaalsContact O-N 3.16Å; A64-E67 HydrophobicContact CB-CG 4.38Å; A64-E67 PolarHBondContact O-N 2.89Å; A64-E67 VanDerWaalsContact O-N 3.12Å; A64-F68 PolarHBondContact O-N 2.8Å; A64-F68 VanDerWaalsContact O-N 3.14Å
65P97.3Very high96.2Very high60 Ų6054.8 Ų54.839%0.3932%0.322SS..Hα-helixtrans-54.7-33177.6-27.235.4000114.2F55 K69F55-P65 HydrophobicContact CB-CB 4.37Å; F55-P65 HydrophobicContact CD1-CG 4.21Å; F55-P65 HydrophobicContact CD2-CB 3.87Å; F55-P65 HydrophobicContact CD2-CG 4.19Å; F55-P65 HydrophobicContact CE1-CG 4.21Å; F55-P65 HydrophobicContact CE2-CB 4.24Å; F55-P65 HydrophobicContact CE2-CG 4.18Å; F55-P65 HydrophobicContact CG-CB 3.99Å; F55-P65 HydrophobicContact CG-CG 4.18Å; F55-P65 HydrophobicContact CZ-CG 4.19Å; P65-K69 VanDerWaalsContact O-CB 3.25Å; P65-K69 WeakPolarHBondContact O-CB 3.31Å; P65-K69 PolarHBondContact O-N 2.87Å
66E97.1Very high96.1Very high133 Ų13352.5 Ų52.562%0.62131%0.312SS*.Hα-helixtrans-68.6-40.7179.9-61.571.9-159.400111.6A64 K69 A70A64-E66 PolarHBondContact O-N 3.33Å; A64-E66 VanDerWaalsContact O-N 3.16Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-A70 VanDerWaalsContact O-CB 3.28Å; E66-A70 WeakPolarHBondContact O-CB 3.44Å; E66-A70 PolarHBondContact O-N 2.82Å
67E97.4Very high95.9Very high70 Ų7054 Ų5433%0.32732%0.323SS..Hα-helixtrans-68.4-44.4176.2-73.5-61.6148.300110.9V63 A64 K69 A70 S71 R129 L130V63-E67 HydrophobicContact CG2-CB 4Å; A64-E67 HydrophobicContact CB-CG 4.38Å; A64-E67 PolarHBondContact O-N 2.89Å; A64-E67 VanDerWaalsContact O-N 3.12Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 2.73Å; E67-A70 PolarHBondContact O-N 3.25Å; E67-S71 PolarHBondContact O-N 3.38Å; E67-S71 PolarHBondContact O-OG 2.64Å; E67-S71 VanDerWaalsContact O-OG 3.13Å; E67-R129 IonicContact OE2-CZ 3.77Å; E67-R129 IonicContact OE2-NH1 2.71Å; E67-R129 IonicContact OE2-NH2 2.61Å; E67-R129 PolarHBondContact OE2-NH2 2.61Å; E67-L130 HydrophobicContact CB-CD2 3.82Å; E67-L130 HydrophobicContact CG-CD2 3.96Å
68F97.9Very high95.6Very high1 Ų150.1 Ų50.10%0.00430%0.296CS..Hα-helixtrans-54.6-52173.3172.8-90.1000111V36 E54 F55 P56 L59 A64 A70 S71 I72 W138 I157V36-F68 HydrophobicContact CG2-CE2 4.18Å; V36-F68 HydrophobicContact CG2-CZ 4.15Å; E54-F68 WeakPolarHBondContact O-CE1 3.42Å; F55-F68 HydrophobicContact CD2-CB 3.81Å; F55-F68 AromaticContact CD2-CD1 3.93Å; F55-F68 HydrophobicContact CD2-CD1 3.93Å; F55-F68 AromaticContact CD2-CG 3.84Å; F55-F68 HydrophobicContact CD2-CG 3.84Å; F55-F68 HydrophobicContact CE2-CB 3.94Å; F55-F68 HydrophobicContact CE2-CG 4.26Å; P56-F68 VanDerWaalsContact CD-CZ 3.41Å; P56-F68 HydrophobicContact CG-CE2 3.87Å; P56-F68 HydrophobicContact CG-CZ 3.8Å; L59-F68 HydrophobicContact CD1-CD2 3.76Å; L59-F68 HydrophobicContact CD1-CE2 4Å; A64-F68 PolarHBondContact O-N 2.8Å; A64-F68 VanDerWaalsContact O-N 3.14Å; F68-A70 VanDerWaalsContact C-N 3.31Å; F68-A70 PolarHBondContact O-N 3.23Å; F68-S71 PolarHBondContact O-N 3.24Å; F68-I72 HydrophobicContact CD1-CG1 4.4Å; F68-I72 HydrophobicContact CE1-CG1 3.86Å; F68-I72 HydrophobicContact CE2-CG1 4.11Å; F68-I72 HydrophobicContact CZ-CD1 4.24Å; F68-I72 HydrophobicContact CZ-CG1 3.68Å; F68-I72 PolarHBondContact O-N 2.82Å; F68-W138 AromaticContact CD2-CH2 3.44Å; F68-W138 HydrophobicContact CD2-CH2 3.44Å; F68-W138 VanDerWaalsContact CD2-CH2 3.44Å; F68-W138 AromaticContact CD2-CZ2 3.53Å; F68-W138 HydrophobicContact CD2-CZ2 3.53Å; F68-W138 AromaticContact CE2-CH2 3.47Å; F68-W138 HydrophobicContact CE2-CH2 3.47Å; F68-W138 VanDerWaalsContact CE2-CH2 3.47Å; F68-W138 AromaticContact CE2-CZ2 3.83Å; F68-W138 HydrophobicContact CE2-CZ2 3.83Å; F68-W138 HydrophobicContact CE2-CZ3 4.49Å; F68-W138 HydrophobicContact CG-CH2 4.36Å; F68-W138 HydrophobicContact CZ-CH2 4.42Å; F68-I157 HydrophobicContact CD2-CD1 4.49Å; F68-I157 HydrophobicContact CE2-CD1 3.97Å
69K97.6Very high95.3Very high114 Ų11447.3 Ų47.350%0.49627%0.272SS..Hα-helixtrans-62.8-38.4-179.2-173174.4-175.6176.40111.5P65 E66 E67 N73P65-K69 VanDerWaalsContact O-CB 3.25Å; P65-K69 WeakPolarHBondContact O-CB 3.31Å; P65-K69 PolarHBondContact O-N 2.87Å; E66-K69 PolarHBondContact O-N 3.38Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 2.73Å; K69-N73 VanDerWaalsContact O-CB 3.22Å; K69-N73 WeakPolarHBondContact O-CB 3.38Å; K69-N73 PolarHBondContact O-N 3.41Å; K69-N73 PolarHBondContact O-ND2 3Å; K69-N73 VanDerWaalsContact O-ND2 3.08Å
70A97.6Very high94.6Very high29 Ų2955.1 Ų55.124%0.2430%0.302CS..Hα-helixtrans-63.4-47.5175.700000111.9E66 E67 F68 N73 R74E66-A70 VanDerWaalsContact O-CB 3.28Å; E66-A70 WeakPolarHBondContact O-CB 3.44Å; E66-A70 PolarHBondContact O-N 2.82Å; E67-A70 PolarHBondContact O-N 3.25Å; F68-A70 VanDerWaalsContact C-N 3.31Å; F68-A70 PolarHBondContact O-N 3.23Å; A70-N73 PolarHBondContact O-N 2.8Å; A70-R74 WeakPolarHBondContact O-CG 3.48Å; A70-R74 PolarHBondContact O-N 3.03Å
71S97.6Very high93.5Very high1 Ų158.6 Ų58.61%0.00731%0.309CS..Hα-helixtrans-61.3-48178.1-55.90000111.5E67 F68 N73 R74 V75 E126 Y131E67-S71 PolarHBondContact O-N 3.38Å; E67-S71 PolarHBondContact O-OG 2.64Å; E67-S71 VanDerWaalsContact O-OG 3.13Å; F68-S71 PolarHBondContact O-N 3.24Å; S71-N73 VanDerWaalsContact C-N 3.32Å; S71-N73 PolarHBondContact O-N 3.46Å; S71-R74 WeakPolarHBondContact O-CB 3.48Å; S71-R74 PolarHBondContact O-N 3.24Å; S71-R74 VanDerWaalsContact O-N 3.14Å; S71-V75 PolarHBondContact O-N 3Å; S71-V75 VanDerWaalsContact O-N 3.11Å; S71-E126 PolarHBondContact OG-OE1 2.81Å; S71-E126 PolarHBondContact OG-OE2 2.8Å; S71-Y131 WeakPolarHBondContact CB-OH 3.27Å; S71-Y131 WeakPolarHBondContact OG-CE2 3.33Å; S71-Y131 PolarHBondContact OG-OH 2.89Å
72I97.5Very high92.1Very high0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-60.9-40.2175.6-70.8-68.4000111.7V36 F51 F68 R74 V75 N76 W138 I155V36-I72 HydrophobicContact CG1-CD1 4.03Å; F51-I72 HydrophobicContact CB-CD1 4.48Å; F68-I72 HydrophobicContact CD1-CG1 4.4Å; F68-I72 HydrophobicContact CE1-CG1 3.86Å; F68-I72 HydrophobicContact CE2-CG1 4.11Å; F68-I72 HydrophobicContact CZ-CD1 4.24Å; F68-I72 HydrophobicContact CZ-CG1 3.68Å; F68-I72 PolarHBondContact O-N 2.82Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 PolarHBondContact O-N 3.24Å; I72-V75 WeakPolarHBondContact O-CB 3.46Å; I72-V75 PolarHBondContact O-N 2.81Å; I72-N76 WeakPolarHBondContact CG2-ND2 3.31Å; I72-N76 WeakPolarHBondContact O-CB 3.38Å; I72-N76 PolarHBondContact O-N 3.46Å; I72-N76 PolarHBondContact O-ND2 3.48Å; I72-W138 HydrophobicContact CD1-CH2 4.03Å; I72-W138 HydrophobicContact CD1-CZ3 3.59Å; I72-W138 HydrophobicContact CG1-CH2 3.94Å; I72-W138 HydrophobicContact CG1-CZ3 3.96Å; I72-I155 HydrophobicContact CD1-CD1 3.96Å
73N96.6Very high90.8Very high68 Ų6852.9 Ų52.936%0.36427%0.265SS..Hα-helixtrans-65.5-32.4177.5-77.4-27.5000112.8K69 A70 S71 S77K69-N73 VanDerWaalsContact O-CB 3.22Å; K69-N73 WeakPolarHBondContact O-CB 3.38Å; K69-N73 PolarHBondContact O-N 3.41Å; K69-N73 PolarHBondContact O-ND2 3Å; K69-N73 VanDerWaalsContact O-ND2 3.08Å; A70-N73 PolarHBondContact O-N 2.8Å; S71-N73 VanDerWaalsContact C-N 3.32Å; S71-N73 PolarHBondContact O-N 3.46Å; N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.49Å; N73-S77 PolarHBondContact O-N 3.02Å; N73-S77 PolarHBondContact O-OG 3.47Å
74R95.5Very high89.1Confident92 Ų9256.5 Ų56.535%0.34729%0.289SS..Hα-helixtrans-66.7-43.8172.2-69180-167.6100.27111.3A70 S71 I72 S77 C78 L122 E126A70-R74 WeakPolarHBondContact O-CG 3.48Å; A70-R74 PolarHBondContact O-N 3.03Å; S71-R74 WeakPolarHBondContact O-CB 3.48Å; S71-R74 PolarHBondContact O-N 3.24Å; S71-R74 VanDerWaalsContact O-N 3.14Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 PolarHBondContact O-N 3.24Å; R74-S77 WeakPolarHBondContact O-CB 3.33Å; R74-S77 PolarHBondContact O-N 2.83Å; R74-C78 PolarHBondContact O-N 3.24Å; R74-L122 HydrophobicContact CB-CD1 4.19Å; R74-L122 HydrophobicContact CB-CD2 4.45Å; R74-E126 VanDerWaalsContact CD-OE1 3.3Å; R74-E126 WeakPolarHBondContact CD-OE1 3.5Å; R74-E126 IonicContact CZ-OE1 3.82Å; R74-E126 IonicContact NE-OE1 3.02Å; R74-E126 IonicContact NH1-OE1 2.96Å; R74-E126 PolarHBondContact NH1-OE1 3.28Å; R74-E126 IonicContact NH1-OE2 2.7Å
75V95.4Very high87.7Confident0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-58.3-51.6172.8177.60000110.6F51 S71 I72 S77 C78 L79 I119 L122 L123 I155F51-V75 HydrophobicContact CD2-CG1 3.76Å; F51-V75 HydrophobicContact CE2-CG1 4.04Å; S71-V75 PolarHBondContact O-N 3Å; S71-V75 VanDerWaalsContact O-N 3.11Å; I72-V75 WeakPolarHBondContact O-CB 3.46Å; I72-V75 PolarHBondContact O-N 2.81Å; V75-S77 PolarHBondContact O-N 3.18Å; V75-C78 WeakPolarHBondContact O-CA 3.48Å; V75-C78 VanDerWaalsContact O-CB 3.27Å; V75-C78 WeakPolarHBondContact O-CB 3.41Å; V75-C78 PolarHBondContact O-N 3.24Å; V75-L79 HydrophobicContact CG1-CD1 4.2Å; V75-L79 PolarHBondContact O-N 3.02Å; V75-I119 HydrophobicContact CG1-CG2 4.14Å; V75-L122 HydrophobicContact CG2-CD2 3.61Å; V75-L123 HydrophobicContact CG2-CD2 3.98Å; V75-I155 HydrophobicContact CG1-CD1 4.24Å; V75-I155 HydrophobicContact CG2-CD1 4.48Å
76N94.3Very high86Confident6 Ų655.4 Ų55.43%0.03228%0.276CS..Hα-helixtrans-60.8-32.4179-75.8-25000112.5K50 F51 I72 R80K50-N76 WeakPolarHBondContact CA-OD1 3.35Å; F51-N76 PolarHBondContact N-OD1 3.39Å; F51-N76 PolarHBondContact O-ND2 3.42Å; F51-N76 VanDerWaalsContact O-ND2 3.13Å; I72-N76 WeakPolarHBondContact CG2-ND2 3.31Å; I72-N76 WeakPolarHBondContact O-CB 3.38Å; I72-N76 PolarHBondContact O-N 3.46Å; I72-N76 PolarHBondContact O-ND2 3.48Å; N76-R80 VanDerWaalsContact O-CG 3.31Å; N76-R80 WeakPolarHBondContact O-CG 3.47Å; N76-R80 PolarHBondContact O-N 2.96Å
77S92.3Very high84.6Confident60 Ų6051.7 Ų51.742%0.4226%0.262SS..Hα-helixtrans-70.3-34.6174.3-62.60000112.5N73 R74 V75 K81N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.49Å; N73-S77 PolarHBondContact O-N 3.02Å; N73-S77 PolarHBondContact O-OG 3.47Å; R74-S77 WeakPolarHBondContact O-CB 3.33Å; R74-S77 PolarHBondContact O-N 2.83Å; V75-S77 PolarHBondContact O-N 3.18Å; S77-K81 WeakPolarHBondContact O-CG 3.46Å
78C88.6Confident83.2Confident20 Ų2058 Ų5814%0.13528%0.283CS..Hα-helixtrans-63.7-49.7172-176.60000110.5R74 V75 R80 K81 T82 S118 L122R74-C78 PolarHBondContact O-N 3.24Å; V75-C78 WeakPolarHBondContact O-CA 3.48Å; V75-C78 VanDerWaalsContact O-CB 3.27Å; V75-C78 WeakPolarHBondContact O-CB 3.41Å; V75-C78 PolarHBondContact O-N 3.24Å; C78-R80 PolarHBondContact O-N 3.42Å; C78-K81 PolarHBondContact O-N 3.49Å; C78-T82 PolarHBondContact O-N 3.07Å; C78-T82 PolarHBondContact O-OG1 2.86Å; C78-S118 PolarHBondContact SG-OG 2.93Å; C78-L122 HydrophobicContact CB-CD1 4.42Å
79L87.1Confident81.8Confident1 Ų164.4 Ų64.41%0.00531%0.307CS..Hα-helixtrans-57.2-49.9178.5-72.3168.4000112.4L47 F51 V75 K81 T82 L83 T115 I119L47-L79 HydrophobicContact CD1-CD2 4.43Å; L47-L79 HydrophobicContact CD2-CD2 3.91Å; L47-L79 HydrophobicContact CG-CD2 4.1Å; F51-L79 HydrophobicContact CD2-CD1 3.67Å; F51-L79 HydrophobicContact CE2-CD1 3.75Å; V75-L79 HydrophobicContact CG1-CD1 4.2Å; V75-L79 PolarHBondContact O-N 3.02Å; L79-K81 PolarHBondContact O-N 3.44Å; L79-K81 VanDerWaalsContact O-N 3.12Å; L79-T82 PolarHBondContact O-N 2.91Å; L79-T82 VanDerWaalsContact O-N 3.12Å; L79-T82 PolarHBondContact O-OG1 3.38Å; L79-L83 HydrophobicContact CB-CD1 4.37Å; L79-L83 WeakPolarHBondContact O-CD1 3.39Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 3.28Å; L79-T115 HydrophobicContact CD2-CG2 4.17Å; L79-I119 HydrophobicContact CD2-CD1 3.58Å; L79-I119 HydrophobicContact CG-CD1 4.09Å
80R81.1Confident80.4Confident165 Ų16562 Ų6262%0.62330%0.299SS*.Hα-helixtrans-57.1-30.7-179.4-76.4176.5-170.6-94.92.9113.7N76 C78 P84N76-R80 VanDerWaalsContact O-CG 3.31Å; N76-R80 WeakPolarHBondContact O-CG 3.47Å; N76-R80 PolarHBondContact O-N 2.96Å; C78-R80 PolarHBondContact O-N 3.42Å; R80-P84 WeakPolarHBondContact O-CD 2.98Å
81K72.6Confident79Confident171 Ų17166 Ų6674%0.74332%0.316SS*.Hα-helixtrans-79.5-28.5-179-70.8176.5-177.5-178.90113S77 C78 L79S77-K81 WeakPolarHBondContact O-CG 3.46Å; C78-K81 PolarHBondContact O-N 3.49Å; L79-K81 PolarHBondContact O-N 3.44Å; L79-K81 VanDerWaalsContact O-N 3.12Å
82T64.8Low77.5Confident34 Ų3469.2 Ų69.221%0.20934%0.338CS..Hα-helixtrans-90.2-27.9-175.453.40000113C78 L79 V85 N86 T115C78-T82 PolarHBondContact O-N 3.07Å; C78-T82 PolarHBondContact O-OG1 2.86Å; L79-T82 PolarHBondContact O-N 2.91Å; L79-T82 VanDerWaalsContact O-N 3.12Å; L79-T82 PolarHBondContact O-OG1 3.38Å; T82-V85 PolarHBondContact O-N 2.81Å; T82-N86 PolarHBondContact O-N 2.87Å; T82-N86 PolarHBondContact O-ND2 2.86Å; T82-N86 PolarHBondContact O-OD1 2.85Å; T82-T115 HydrophobicContact CG2-CG2 4.25Å; T82-T115 WeakPolarHBondContact OG1-CG2 3.46Å
83L64.7Low76Confident24 Ų2469.6 Ų69.613%0.12634%0.342CS..Hα-helixtrans-67.5-42.7-171-71.9152.7000116.9V44 N49 L79 V85 N86 V87V44-L83 HydrophobicContact CG2-CD2 4.44Å; N49-L83 HydrophobicContact CB-CD1 3.12Å; N49-L83 HydrophobicContact CB-CD2 3.99Å; N49-L83 HydrophobicContact CB-CG 4.18Å; L79-L83 HydrophobicContact CB-CD1 4.37Å; L79-L83 WeakPolarHBondContact O-CD1 3.39Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 3.28Å; L83-V85 PolarHBondContact O-N 2.79Å; L83-N86 PolarHBondContact O-N 2.96Å; L83-N86 VanDerWaalsContact O-N 3.17Å; L83-V87 WeakPolarHBondContact O-CG2 3.11Å; L83-V87 PolarHBondContact O-N 2.71Å
84P61.9Low74.4Confident89 Ų8970.3 Ų70.358%0.57835%0.351SS*.Hα-helixtrans-63-32.2-179.9-21.433000112.2R80 R88R80-P84 WeakPolarHBondContact O-CD 2.98Å; P84-R88 WeakPolarHBondContact O-CB 3.26Å; P84-R88 PolarHBondContact O-N 2.96Å
85V66.2Low73.1Confident73 Ų7372.5 Ų72.544%0.44237%0.369SS..Hα-helixtrans-70.8-49174.81800000109.2T82 L83 V87 R88 W89T82-V85 PolarHBondContact O-N 2.81Å; L83-V85 PolarHBondContact O-N 2.79Å; V85-V87 PolarHBondContact O-N 2.7Å; V85-R88 PolarHBondContact O-N 3.39Å; V85-W89 PolarHBondContact O-N 3.19Å
86N63Low71.2Confident13 Ų1375.5 Ų75.57%0.0739%0.389CS..Hα-helixtrans-60.4-42179.9-63.5-5.6000112.8T82 L83 W89 L90 L111 T115T82-N86 PolarHBondContact O-N 2.87Å; T82-N86 PolarHBondContact O-ND2 2.86Å; T82-N86 PolarHBondContact O-OD1 2.85Å; L83-N86 PolarHBondContact O-N 2.96Å; L83-N86 VanDerWaalsContact O-N 3.17Å; N86-W89 PolarHBondContact O-N 3.13Å; N86-L90 VanDerWaalsContact O-CB 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.41Å; N86-L90 PolarHBondContact O-N 3.12Å; N86-L111 WeakPolarHBondContact OD1-CB 3.39Å; N86-T115 PolarHBondContact ND2-OG1 2.87Å
87V66.9Low69.2Low54 Ų5477.3 Ų77.333%0.32740%0.401SS..Hα-helixtrans-65.9-40.7176.81730000111.3L83 V85 W89 L90 L91L83-V87 WeakPolarHBondContact O-CG2 3.11Å; L83-V87 PolarHBondContact O-N 2.71Å; V85-V87 PolarHBondContact O-N 2.7Å; V87-W89 VanDerWaalsContact C-N 3.34Å; V87-W89 PolarHBondContact O-N 3.23Å; V87-L90 PolarHBondContact O-N 3.42Å; V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.35Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 VanDerWaalsContact O-CG 3.3Å; V87-L91 WeakPolarHBondContact O-CG 3.39Å; V87-L91 PolarHBondContact O-N 3.04Å
88R69.1Low67.4Low203 Ų20379.8 Ų79.877%0.76642%0.417SS*.Hα-helixtrans-65.6-37.8178.4-162.9174.4-178.9130.7-0.8111.9P84 V85 C92P84-R88 WeakPolarHBondContact O-CB 3.26Å; P84-R88 PolarHBondContact O-N 2.96Å; V85-R88 PolarHBondContact O-N 3.39Å; R88-C92 WeakPolarHBondContact O-CB 3.39Å; R88-C92 PolarHBondContact O-N 3.04Å; R88-C92 VanDerWaalsContact O-N 3.15Å
89W68.4Low65.7Low135 Ų13584 Ų8451%0.51145%0.446SS..Hα-helixtrans-71.6-38.3172.8-78.9100.8000112.8V85 N86 V87 C92 G93 P107 L111V85-W89 PolarHBondContact O-N 3.19Å; N86-W89 PolarHBondContact O-N 3.13Å; V87-W89 VanDerWaalsContact C-N 3.34Å; V87-W89 PolarHBondContact O-N 3.23Å; W89-C92 PolarHBondContact O-N 2.97Å; W89-G93 PolarHBondContact O-N 3.46Å; W89-P107 HydrophobicContact CE3-CB 4.5Å; W89-L111 HydrophobicContact CB-CD1 3.52Å; W89-L111 HydrophobicContact CD2-CD1 4.4Å; W89-L111 HydrophobicContact CG-CD1 3.6Å
90L67.3Low64Low63 Ų6387.1 Ų87.133%0.3347%0.465SS..Hα-helixtrans-60-47.4174.4-174.782.7000111.2N86 V87 G93 C94 V108N86-L90 VanDerWaalsContact O-CB 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.41Å; N86-L90 PolarHBondContact O-N 3.12Å; V87-L90 PolarHBondContact O-N 3.42Å; L90-G93 PolarHBondContact O-N 3.12Å; L90-C94 VanDerWaalsContact O-CB 3.22Å; L90-C94 WeakPolarHBondContact O-CB 3.46Å; L90-C94 PolarHBondContact O-N 3.22Å; L90-V108 HydrophobicContact CB-CG1 4.09Å; L90-V108 HydrophobicContact CD1-CB 4.44Å; L90-V108 HydrophobicContact CD1-CG1 3.32Å; L90-V108 HydrophobicContact CG-CG1 4.32Å
91L68.4Low62.8Low115 Ų11587.6 Ų87.660%0.60248%0.479SS*.Hα-helixtrans-65.1-40.8179-69.6173000111.8V87 L95V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.35Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 VanDerWaalsContact O-CG 3.3Å; V87-L91 WeakPolarHBondContact O-CG 3.39Å; V87-L91 PolarHBondContact O-N 3.04Å; L91-L95 VanDerWaalsContact O-CB 3.32Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 PolarHBondContact O-N 3.46Å
92C66.3Low62.1Low68 Ų6881.2 Ų81.246%0.45946%0.462SS..Hα-helixtrans-64.7-46.1174.5-172.70000111.8R88 W89 C94 L95 C96R88-C92 WeakPolarHBondContact O-CB 3.39Å; R88-C92 PolarHBondContact O-N 3.04Å; R88-C92 VanDerWaalsContact O-N 3.15Å; W89-C92 PolarHBondContact O-N 2.97Å; C92-C94 VanDerWaalsContact C-N 3.35Å; C92-C94 PolarHBondContact O-N 3.35Å; C92-L95 PolarHBondContact O-N 2.89Å; C92-C96 WeakPolarHBondContact O-CB 3.45Å; C92-C96 PolarHBondContact O-N 2.9Å; C92-C96 PolarHBondContact O-SG 3.23Å; C92-C96 VanDerWaalsContact O-SG 3.37Å
93G64.8Low61.6Low8 Ų888.1 Ų88.18%0.08249%0.489CS..Hα-helixtrans-64.1-37.2178.800000112.9W89 L90 C97 S104W89-G93 PolarHBondContact O-N 3.46Å; L90-G93 PolarHBondContact O-N 3.12Å; G93-C97 WeakPolarHBondContact O-CA 3.4Å; G93-C97 WeakPolarHBondContact O-CB 3.02Å; G93-C97 PolarHBondContact O-N 3.25Å; G93-S104 PolarHBondContact O-OG 2.84Å
94C64.6Low61.1Low82 Ų8288.1 Ų88.155%0.55449%0.491SS*.Hα-helixtrans-70.9-41.3175.7-172.80000112.1L90 C92 C96 C97L90-C94 VanDerWaalsContact O-CB 3.22Å; L90-C94 WeakPolarHBondContact O-CB 3.46Å; L90-C94 PolarHBondContact O-N 3.22Å; C92-C94 VanDerWaalsContact C-N 3.35Å; C92-C94 PolarHBondContact O-N 3.35Å; C94-C96 VanDerWaalsContact C-N 3.28Å; C94-C96 PolarHBondContact O-N 3.06Å; C94-C97 WeakPolarHBondContact O-CB 3.46Å; C94-C97 PolarHBondContact O-N 3.33Å
95L66.7Low60.8Low139 Ų13987 Ų8773%0.72848%0.48SS*.Hα-helixtrans-64.5-33.2175.3-169.967.5000112.4L91 C92L91-L95 VanDerWaalsContact O-CB 3.32Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 PolarHBondContact O-N 3.46Å; C92-L95 PolarHBondContact O-N 2.89Å
96C56.5Low60.6Low62 Ų6289.5 Ų89.542%0.41948%0.481SS..Hα-helixtrans-89.4-14.3177.2-65.10000114.1C92 C94 C98 C99C92-C96 WeakPolarHBondContact O-CB 3.45Å; C92-C96 PolarHBondContact O-N 2.9Å; C92-C96 PolarHBondContact O-SG 3.23Å; C92-C96 VanDerWaalsContact O-SG 3.37Å; C94-C96 VanDerWaalsContact C-N 3.28Å; C94-C96 PolarHBondContact O-N 3.06Å; C96-C98 PolarHBondContact O-N 2.98Å; C96-C99 PolarHBondContact O-N 3.05Å
97C51.2Low60.4Low44 Ų4491.5 Ų91.530%0.29750%0.495SS..Hα-helixtrans-62.8-23.9-179.2177.70000112.8G93 C94 C99 S104G93-C97 WeakPolarHBondContact O-CA 3.4Å; G93-C97 WeakPolarHBondContact O-CB 3.02Å; G93-C97 PolarHBondContact O-N 3.25Å; C94-C97 WeakPolarHBondContact O-CB 3.46Å; C94-C97 PolarHBondContact O-N 3.33Å; C97-C99 PolarHBondContact O-N 2.85Å; C97-C99 VanDerWaalsContact O-N 3.09Å; C97-S104 VanDerWaalsContact CA-OG 3.29Å; C97-S104 WeakPolarHBondContact CA-OG 3.29Å
98C54.8Low60.1Low112 Ų11289.2 Ų89.276%0.75748%0.481SS*.THydrogen-bonded Turntrans-63.8-13.3177.6-45.80000113.1C96C96-C98 PolarHBondContact O-N 2.98Å
99C53.2Low59.8Low108 Ų10881.8 Ų81.873%0.7346%0.457SS*.THydrogen-bonded Turntrans-120.6-9.6-166.2-56.30000115C96 C97C96-C99 PolarHBondContact O-N 3.05Å; C97-C99 PolarHBondContact O-N 2.85Å; C97-C99 VanDerWaalsContact O-N 3.09Å
100T52.6Low59.4Low67 Ų6777.8 Ų77.841%0.41145%0.449SS..THydrogen-bonded Turntrans-134.523.8-168.946.40000115.9G102 F103T100-G102 PolarHBondContact O-N 2.76Å; T100-G102 VanDerWaalsContact O-N 3.07Å; T100-F103 PolarHBondContact O-N 2.89Å
101L55.3Low59.3Low176 Ų17676.4 Ų76.492%0.92144%0.441SS*.THydrogen-bonded Turntrans50.736174.3-68168000113.9
102G57.6Low59.4Low37 Ų3771.7 Ų71.738%0.38142%0.418SS..THydrogen-bonded Turntrans95.5-9.7170.600000117.4T100 S104 L105T100-G102 PolarHBondContact O-N 2.76Å; T100-G102 VanDerWaalsContact O-N 3.07Å; G102-S104 PolarHBondContact O-N 3.27Å; G102-L105 PolarHBondContact O-N 2.96Å
103F54.9Low59.9Low179 Ų17970.7 Ų70.779%0.78541%0.406SS*.G310 helixtrans-66.6-18.8179.3-78.7-82.7000114.5T100 L105T100-F103 PolarHBondContact O-N 2.89Å; F103-L105 PolarHBondContact O-N 3.25Å
104S54.1Low60.8Low23 Ų2379.5 Ų79.516%0.16144%0.436CS..G310 helixtrans-74.6-7-178.864.80000114.8G93 C97 G102 P107G93-S104 PolarHBondContact O-OG 2.84Å; C97-S104 VanDerWaalsContact CA-OG 3.29Å; C97-S104 WeakPolarHBondContact CA-OG 3.29Å; G102-S104 PolarHBondContact O-N 3.27Å; S104-P107 WeakPolarHBondContact O-CD 3.33Å
105L55.1Low61.7Low65 Ų6575.8 Ų75.834%0.3441%0.411SS..G310 helixtrans-91-16.4-178.5-63.9175.9000113.4G102 F103 P107 V108 I109G102-L105 PolarHBondContact O-N 2.96Å; F103-L105 PolarHBondContact O-N 3.25Å; L105-P107 VanDerWaalsContact C-CD 3.48Å; L105-V108 WeakPolarHBondContact O-CA 3.44Å; L105-V108 WeakPolarHBondContact O-CB 3.46Å; L105-V108 PolarHBondContact O-N 3.29Å; L105-I109 PolarHBondContact O-N 3.3Å; L105-I109 VanDerWaalsContact O-N 3.08Å
106W61.1Low62.8Low126 Ų12670.9 Ų70.948%0.47738%0.383SS..Hα-helixtrans-52.8-44.9177.2-174.8-99.9000113.7F5 Y9 V108 I109 C110F5-W106 HydrophobicContact CD2-CZ3 4.25Å; F5-W106 AromaticContact CE2-CE3 3.61Å; F5-W106 HydrophobicContact CE2-CE3 3.61Å; F5-W106 AromaticContact CE2-CH2 3.82Å; F5-W106 HydrophobicContact CE2-CH2 3.82Å; F5-W106 AromaticContact CE2-CZ3 3.08Å; F5-W106 HydrophobicContact CE2-CZ3 3.08Å; F5-W106 AromaticContact CZ-CE3 3.62Å; F5-W106 HydrophobicContact CZ-CE3 3.62Å; F5-W106 HydrophobicContact CZ-CH2 4.45Å; F5-W106 AromaticContact CZ-CZ3 3.35Å; F5-W106 HydrophobicContact CZ-CZ3 3.35Å; Y9-W106 HydrophobicContact CE2-CZ3 4.45Å; Y9-W106 AromaticContact CZ-CZ3 3.96Å; Y9-W106 WeakPolarHBondContact OH-CZ3 3.25Å; W106-V108 PolarHBondContact O-N 3.34Å; W106-I109 PolarHBondContact O-N 3.49Å; W106-C110 PolarHBondContact NE1-SG 3.01Å; W106-C110 PolarHBondContact O-N 3.43Å; W106-C110 PolarHBondContact O-SG 3.41Å
107P58.9Low64.4Low56 Ų5674.3 Ų74.336%0.36439%0.387SS..Hα-helixtrans-59-33.3174.9-23.334.7000113.4W89 S104 L105 L111W89-P107 HydrophobicContact CE3-CB 4.5Å; S104-P107 WeakPolarHBondContact O-CD 3.33Å; L105-P107 VanDerWaalsContact C-CD 3.48Å; P107-L111 WeakPolarHBondContact O-CB 3.34Å; P107-L111 WeakPolarHBondContact O-CG 3.45Å; P107-L111 PolarHBondContact O-N 3.28Å; P107-L111 VanDerWaalsContact O-N 3.09Å
108V60.6Low66.3Low5 Ų574.9 Ų74.93%0.0339%0.392CS..Hα-helixtrans-74.3-39.6-179.6-1700000110.8F45 L90 L105 W106 L111 S112F45-V108 HydrophobicContact CE2-CG1 3.69Å; F45-V108 HydrophobicContact CZ-CG1 4.08Å; L90-V108 HydrophobicContact CB-CG1 4.09Å; L90-V108 HydrophobicContact CD1-CB 4.44Å; L90-V108 HydrophobicContact CD1-CG1 3.32Å; L90-V108 HydrophobicContact CG-CG1 4.32Å; L105-V108 WeakPolarHBondContact O-CA 3.44Å; L105-V108 WeakPolarHBondContact O-CB 3.46Å; L105-V108 PolarHBondContact O-N 3.29Å; W106-V108 PolarHBondContact O-N 3.34Å; V108-L111 PolarHBondContact O-N 3.21Å; V108-S112 PolarHBondContact O-N 2.87Å
109I62.6Low68.1Low48 Ų4869.5 Ų69.525%0.24636%0.355CS..Hα-helixtrans-64.7-45174.7-61.7168.9000110F45 L105 W106 L111 S112 K113F45-I109 HydrophobicContact CE1-CG1 4.5Å; F45-I109 HydrophobicContact CZ-CG1 4.11Å; L105-I109 PolarHBondContact O-N 3.3Å; L105-I109 VanDerWaalsContact O-N 3.08Å; W106-I109 PolarHBondContact O-N 3.49Å; I109-L111 VanDerWaalsContact C-N 3.3Å; I109-L111 PolarHBondContact O-N 3.21Å; I109-S112 WeakPolarHBondContact O-CB 3.48Å; I109-S112 PolarHBondContact O-N 3.17Å; I109-K113 PolarHBondContact O-N 2.94Å
110C61.4Low70.1Confident51 Ų5167.7 Ų67.735%0.34534%0.336SS..Hα-helixtrans-61.4-35.6176.5-64.40000113W106 K113 R114W106-C110 PolarHBondContact NE1-SG 3.01Å; W106-C110 PolarHBondContact O-N 3.43Å; W106-C110 PolarHBondContact O-SG 3.41Å; C110-K113 PolarHBondContact O-N 3.17Å; C110-R114 WeakPolarHBondContact O-CB 3.38Å; C110-R114 PolarHBondContact O-N 3.01Å
111L64.1Low72.2Confident34 Ų3472.2 Ų72.218%0.17835%0.35CS..Hα-helixtrans-67.5-36.2176.7-77.4170.3000112.5N86 W89 P107 V108 I109 T115N86-L111 WeakPolarHBondContact OD1-CB 3.39Å; W89-L111 HydrophobicContact CB-CD1 3.52Å; W89-L111 HydrophobicContact CD2-CD1 4.4Å; W89-L111 HydrophobicContact CG-CD1 3.6Å; P107-L111 WeakPolarHBondContact O-CB 3.34Å; P107-L111 WeakPolarHBondContact O-CG 3.45Å; P107-L111 PolarHBondContact O-N 3.28Å; P107-L111 VanDerWaalsContact O-N 3.09Å; V108-L111 PolarHBondContact O-N 3.21Å; I109-L111 VanDerWaalsContact C-N 3.3Å; I109-L111 PolarHBondContact O-N 3.21Å; L111-T115 PolarHBondContact O-N 3.19Å; L111-T115 VanDerWaalsContact O-N 3.08Å; L111-T115 PolarHBondContact O-OG1 3.38Å
112S70.6Confident74.1Confident15 Ų1565.4 Ų65.411%0.10532%0.315CS..Hα-helixtrans-65.6-50171.3-169.30000111.1V108 I109 R114 T115 R116V108-S112 PolarHBondContact O-N 2.87Å; I109-S112 WeakPolarHBondContact O-CB 3.48Å; I109-S112 PolarHBondContact O-N 3.17Å; S112-R114 VanDerWaalsContact C-N 3.29Å; S112-R114 PolarHBondContact O-N 3.47Å; S112-T115 PolarHBondContact O-N 3.37Å; S112-T115 VanDerWaalsContact O-N 3.09Å; S112-R116 WeakPolarHBondContact O-CB 3.39Å; S112-R116 PolarHBondContact O-N 3.27Å
113K78.4Confident76Confident48 Ų4863.8 Ų63.821%0.20930%0.297CS..Hα-helixtrans-55.6-42.1175.2-71.9-168175.7-167.40111.6E12 I109 C110 R116 R117E12-K113 IonicContact OE1-NZ 3.98Å; E12-K113 IonicContact OE2-NZ 2.64Å; E12-K113 PolarHBondContact OE2-NZ 3.05Å; I109-K113 PolarHBondContact O-N 2.94Å; C110-K113 PolarHBondContact O-N 3.17Å; K113-R116 WeakPolarHBondContact O-CB 3.5Å; K113-R116 PolarHBondContact O-N 2.89Å; K113-R117 WeakPolarHBondContact O-CG 3.34Å; K113-R117 PolarHBondContact O-N 3.29Å
114R82.6Confident78.1Confident192 Ų19259.1 Ų59.173%0.72528%0.278SS*.Hα-helixtrans-63-43176.7-178176.1-178.4152.81.8112.5C110 S112 S118C110-R114 WeakPolarHBondContact O-CB 3.38Å; C110-R114 PolarHBondContact O-N 3.01Å; S112-R114 VanDerWaalsContact C-N 3.29Å; S112-R114 PolarHBondContact O-N 3.47Å; R114-S118 PolarHBondContact O-N 3.09Å; R114-S118 VanDerWaalsContact O-N 3.08Å
115T84.3Confident80.1Confident5 Ų564.7 Ų64.73%0.03130%0.295CS..Hα-helixtrans-66.5-43.9178.7-54.20000110.2L47 L79 T82 N86 L111 S112 S118 I119L47-T115 HydrophobicContact CD2-CG2 3.92Å; L79-T115 HydrophobicContact CD2-CG2 4.17Å; T82-T115 HydrophobicContact CG2-CG2 4.25Å; T82-T115 WeakPolarHBondContact OG1-CG2 3.46Å; N86-T115 PolarHBondContact ND2-OG1 2.87Å; L111-T115 PolarHBondContact O-N 3.19Å; L111-T115 VanDerWaalsContact O-N 3.08Å; L111-T115 PolarHBondContact O-OG1 3.38Å; S112-T115 PolarHBondContact O-N 3.37Å; S112-T115 VanDerWaalsContact O-N 3.09Å; T115-S118 WeakPolarHBondContact O-CB 3.47Å; T115-S118 PolarHBondContact O-N 3.18Å; T115-I119 HydrophobicContact CG2-CD1 4.16Å; T115-I119 WeakPolarHBondContact O-CG1 3.5Å; T115-I119 PolarHBondContact O-N 3.08Å
116R88.9Confident82.2Confident36 Ų3661.6 Ų61.614%0.13628%0.279CS..Hα-helixtrans-53.2-56.3174.6-164.7-175.279.6177.13.9111.5E16 S112 K113 S118 I119 E120 L140 Y153E16-R116 IonicContact OE1-CZ 2.66Å; E16-R116 IonicContact OE1-NH1 3.54Å; E16-R116 PolarHBondContact OE1-NH1 3.41Å; E16-R116 IonicContact OE1-NH2 3.77Å; E16-R116 PolarHBondContact OE1-NH2 3.14Å; S112-R116 WeakPolarHBondContact O-CB 3.39Å; S112-R116 PolarHBondContact O-N 3.27Å; K113-R116 WeakPolarHBondContact O-CB 3.5Å; K113-R116 PolarHBondContact O-N 2.89Å; R116-S118 VanDerWaalsContact C-N 3.25Å; R116-S118 PolarHBondContact O-N 3.44Å; R116-I119 WeakPolarHBondContact O-CA 3.35Å; R116-I119 WeakPolarHBondContact O-CB 3.29Å; R116-I119 PolarHBondContact O-N 3.22Å; R116-E120 WeakPolarHBondContact CG-OE1 3.32Å; R116-E120 IonicContact CZ-OE1 3.33Å; R116-E120 IonicContact NE-OE1 2.83Å; R116-E120 PolarHBondContact NE-OE1 2.99Å; R116-E120 WeakPolarHBondContact O-CG 3.3Å; R116-E120 PolarHBondContact O-N 3.22Å; R116-L140 HydrophobicContact CG-CD2 3.61Å; R116-Y153 WeakPolarHBondContact CD-OH 3.13Å; R116-Y153 HydrophobicContact CG-CE1 4.3Å; R116-Y153 PolarHBondContact NH1-OH 2.96Å
117R89.6Confident83.9Confident134 Ų13455.7 Ų55.751%0.50626%0.257SS..Hα-helixtrans-57.9-35.4177.6-70.3177.6-172.4174.51.6113.2K113 E120 K121K113-R117 WeakPolarHBondContact O-CG 3.34Å; K113-R117 PolarHBondContact O-N 3.29Å; R117-E120 WeakPolarHBondContact CA-OE2 3.49Å; R117-K121 WeakPolarHBondContact O-CB 3.47Å; R117-K121 VanDerWaalsContact O-CG 3.29Å; R117-K121 WeakPolarHBondContact O-CG 3.32Å; R117-K121 PolarHBondContact O-N 2.92Å
118S91.2Very high85.7Confident55 Ų5557.3 Ų57.339%0.38526%0.262SS..Hα-helixtrans-69-35.1176.3-169.90000112.4C78 R114 T115 R116 L122C78-S118 PolarHBondContact SG-OG 2.93Å; R114-S118 PolarHBondContact O-N 3.09Å; R114-S118 VanDerWaalsContact O-N 3.08Å; T115-S118 WeakPolarHBondContact O-CB 3.47Å; T115-S118 PolarHBondContact O-N 3.18Å; R116-S118 VanDerWaalsContact C-N 3.25Å; R116-S118 PolarHBondContact O-N 3.44Å; S118-L122 WeakPolarHBondContact O-CB 3.46Å; S118-L122 PolarHBondContact O-N 3.17Å
119I94Very high87.5Confident0 Ų060.7 Ų60.70%028%0.275CS..Hα-helixtrans-72.3-47.8176-65.7166.1000109.6L47 V75 L79 T115 R116 K121 L122 L123 L140L47-I119 HydrophobicContact CD1-CD1 4.22Å; L47-I119 HydrophobicContact CD2-CD1 4.07Å; V75-I119 HydrophobicContact CG1-CG2 4.14Å; L79-I119 HydrophobicContact CD2-CD1 3.58Å; L79-I119 HydrophobicContact CG-CD1 4.09Å; T115-I119 HydrophobicContact CG2-CD1 4.16Å; T115-I119 WeakPolarHBondContact O-CG1 3.5Å; T115-I119 PolarHBondContact O-N 3.08Å; R116-I119 WeakPolarHBondContact O-CA 3.35Å; R116-I119 WeakPolarHBondContact O-CB 3.29Å; R116-I119 PolarHBondContact O-N 3.22Å; I119-K121 VanDerWaalsContact C-N 3.32Å; I119-K121 PolarHBondContact O-N 2.87Å; I119-L122 CarbonylContact O-C 3.59Å; I119-L122 WeakPolarHBondContact O-CA 3.43Å; I119-L122 WeakPolarHBondContact O-CB 3.44Å; I119-L122 PolarHBondContact O-N 2.98Å; I119-L123 HydrophobicContact CG2-CD1 4.11Å; I119-L123 HydrophobicContact CG2-CG 4.18Å; I119-L123 WeakPolarHBondContact O-CG 3.22Å; I119-L123 PolarHBondContact O-N 3.39Å; I119-L140 HydrophobicContact CB-CD2 4.33Å; I119-L140 HydrophobicContact CG2-CD1 4.39Å; I119-L140 HydrophobicContact CG2-CD2 4.14Å
120E94.8Very high89.1Confident70 Ų7060.1 Ų60.133%0.32727%0.272SS..Hα-helixtrans-53-48.7176.2-71.3162.1179.800111.3R116 R117 L122 L123 E124 L140R116-E120 WeakPolarHBondContact CG-OE1 3.32Å; R116-E120 IonicContact CZ-OE1 3.33Å; R116-E120 IonicContact NE-OE1 2.83Å; R116-E120 PolarHBondContact NE-OE1 2.99Å; R116-E120 WeakPolarHBondContact O-CG 3.3Å; R116-E120 PolarHBondContact O-N 3.22Å; R117-E120 WeakPolarHBondContact CA-OE2 3.49Å; E120-L122 VanDerWaalsContact C-N 3.3Å; E120-L122 PolarHBondContact O-N 3.34Å; E120-L123 PolarHBondContact O-N 3.18Å; E120-E124 WeakPolarHBondContact O-CB 3.39Å; E120-E124 PolarHBondContact O-N 2.92Å; E120-L140 HydrophobicContact CG-CB 4.24Å; E120-L140 HydrophobicContact CG-CD2 4.37Å
121K95.7Very high90.8Very high161 Ų16157.7 Ų57.770%0.726%0.255SS*.Hα-helixtrans-61.3-35.4175.5-74.7-178.5179.7-171.50113.7R117 I119 W125R117-K121 WeakPolarHBondContact O-CB 3.47Å; R117-K121 VanDerWaalsContact O-CG 3.29Å; R117-K121 WeakPolarHBondContact O-CG 3.32Å; R117-K121 PolarHBondContact O-N 2.92Å; I119-K121 VanDerWaalsContact C-N 3.32Å; I119-K121 PolarHBondContact O-N 2.87Å; K121-W125 WeakPolarHBondContact O-CB 3.3Å; K121-W125 PolarHBondContact O-N 3.38Å
122L96.6Very high92.3Very high34 Ų3459.2 Ų59.218%0.17826%0.261CS..Hα-helixtrans-70.8-43.1177.4-177.3160.4000110.9R74 V75 C78 S118 I119 E120 E124 W125 E126R74-L122 HydrophobicContact CB-CD1 4.19Å; R74-L122 HydrophobicContact CB-CD2 4.45Å; V75-L122 HydrophobicContact CG2-CD2 3.61Å; C78-L122 HydrophobicContact CB-CD1 4.42Å; S118-L122 WeakPolarHBondContact O-CB 3.46Å; S118-L122 PolarHBondContact O-N 3.17Å; I119-L122 CarbonylContact O-C 3.59Å; I119-L122 WeakPolarHBondContact O-CA 3.43Å; I119-L122 WeakPolarHBondContact O-CB 3.44Å; I119-L122 PolarHBondContact O-N 2.98Å; E120-L122 VanDerWaalsContact C-N 3.3Å; E120-L122 PolarHBondContact O-N 3.34Å; L122-E124 VanDerWaalsContact C-N 3.32Å; L122-W125 WeakPolarHBondContact O-CB 3.36Å; L122-W125 PolarHBondContact O-N 3.05Å; L122-E126 HydrophobicContact CD2-CG 4.08Å; L122-E126 PolarHBondContact O-N 2.83Å
123L97.5Very high93.4Very high2 Ų266 Ų661%0.0129%0.289CS..Hα-helixtrans-61.1-43.4175.1-66.4-178.3000110.8V75 I119 E120 W125 E126 N127 W138 L140V75-L123 HydrophobicContact CG2-CD2 3.98Å; I119-L123 HydrophobicContact CG2-CD1 4.11Å; I119-L123 HydrophobicContact CG2-CG 4.18Å; I119-L123 WeakPolarHBondContact O-CG 3.22Å; I119-L123 PolarHBondContact O-N 3.39Å; E120-L123 PolarHBondContact O-N 3.18Å; L123-W125 VanDerWaalsContact C-N 3.3Å; L123-W125 PolarHBondContact O-N 3.1Å; L123-E126 PolarHBondContact O-N 3.48Å; L123-N127 WeakPolarHBondContact O-CB 3.5Å; L123-N127 VanDerWaalsContact O-CG 3.25Å; L123-N127 PolarHBondContact O-N 2.83Å; L123-N127 PolarHBondContact O-ND2 3.15Å; L123-W138 HydrophobicContact CD2-CB 4.23Å; L123-W138 HydrophobicContact CD2-CE3 3.94Å; L123-L140 HydrophobicContact CD1-CB 4Å
124E97.3Very high94.1Very high82 Ų8266.6 Ų66.638%0.38329%0.294SS..Hα-helixtrans-61.7-39.4175.8-173.752.8-147.200112.1E120 L122 N127 N128E120-E124 WeakPolarHBondContact O-CB 3.39Å; E120-E124 PolarHBondContact O-N 2.92Å; L122-E124 VanDerWaalsContact C-N 3.32Å; E124-N127 WeakPolarHBondContact O-CB 3.37Å; E124-N127 PolarHBondContact O-N 2.91Å; E124-N128 PolarHBondContact O-N 2.84Å; E124-N128 VanDerWaalsContact O-N 3.07Å; E124-N128 PolarHBondContact O-ND2 3.41Å; E124-N128 PolarHBondContact OE1-ND2 3.47Å
125W97.5Very high94.6Very high140 Ų14059.3 Ų59.353%0.5327%0.272SS..Hα-helixtrans-65-43.6173.5-18086.2000112.7K121 L122 L123 N127 R129K121-W125 WeakPolarHBondContact O-CB 3.3Å; K121-W125 PolarHBondContact O-N 3.38Å; L122-W125 WeakPolarHBondContact O-CB 3.36Å; L122-W125 PolarHBondContact O-N 3.05Å; L123-W125 VanDerWaalsContact C-N 3.3Å; L123-W125 PolarHBondContact O-N 3.1Å; W125-N127 VanDerWaalsContact C-N 3.32Å; W125-N127 PolarHBondContact O-N 3.4Å; W125-R129 VanDerWaalsContact O-CB 3.23Å; W125-R129 WeakPolarHBondContact O-CB 3.49Å; W125-R129 PolarHBondContact O-N 2.99Å
126E97.9Very high95.2Very high0 Ų059.1 Ų59.10%027%0.271CS..Hα-helixtrans-63.5-38.7175.7-75.8-72.1174.600112S71 R74 L122 L123 R129 L130 Y131S71-E126 PolarHBondContact OG-OE1 2.81Å; S71-E126 PolarHBondContact OG-OE2 2.8Å; R74-E126 VanDerWaalsContact CD-OE1 3.3Å; R74-E126 WeakPolarHBondContact CD-OE1 3.5Å; R74-E126 IonicContact CZ-OE1 3.82Å; R74-E126 IonicContact NE-OE1 3.02Å; R74-E126 IonicContact NH1-OE1 2.96Å; R74-E126 PolarHBondContact NH1-OE1 3.28Å; R74-E126 IonicContact NH1-OE2 2.7Å; L122-E126 HydrophobicContact CD2-CG 4.08Å; L122-E126 PolarHBondContact O-N 2.83Å; L123-E126 PolarHBondContact O-N 3.48Å; E126-R129 PolarHBondContact O-N 3.42Å; E126-R129 IonicContact OE1-NH2 3.73Å; E126-R129 IonicContact OE2-CZ 3.76Å; E126-R129 IonicContact OE2-NE 3.44Å; E126-R129 PolarHBondContact OE2-NE 2.88Å; E126-R129 VanDerWaalsContact OE2-NE 3.16Å; E126-R129 IonicContact OE2-NH2 3.54Å; E126-R129 PolarHBondContact OE2-NH2 3.08Å; E126-L130 PolarHBondContact O-N 3.35Å; E126-Y131 HydrophobicContact CB-CD2 4.05Å; E126-Y131 HydrophobicContact CB-CE2 4.03Å; E126-Y131 PolarHBondContact O-N 3.09Å
127N97.7Very high95.5Very high1 Ų159.2 Ų59.21%0.00527%0.273CS..Hα-helixtrans-57.7-55175.8-82.5-19.5000111.8L123 E124 W125 R129 L130 Y131 H132 H137 W138L123-N127 WeakPolarHBondContact O-CB 3.5Å; L123-N127 VanDerWaalsContact O-CG 3.25Å; L123-N127 PolarHBondContact O-N 2.83Å; L123-N127 PolarHBondContact O-ND2 3.15Å; E124-N127 WeakPolarHBondContact O-CB 3.37Å; E124-N127 PolarHBondContact O-N 2.91Å; W125-N127 VanDerWaalsContact C-N 3.32Å; W125-N127 PolarHBondContact O-N 3.4Å; N127-R129 VanDerWaalsContact C-N 3.31Å; N127-R129 PolarHBondContact O-N 3.19Å; N127-L130 PolarHBondContact O-N 3.36Å; N127-Y131 PolarHBondContact O-N 2.97Å; N127-Y131 VanDerWaalsContact O-N 3.14Å; N127-H132 WeakPolarHBondContact CB-NE2 3.44Å; N127-H132 PolarHBondContact O-N 3.3Å; N127-H137 PolarHBondContact ND2-CE1 3.3Å; N127-W138 PolarHBondContact ND2-N 3.48Å; N127-W138 PolarHBondContact ND2-O 3.35Å; N127-W138 WeakPolarHBondContact OD1-CB 3.42Å; N127-W138 PolarHBondContact OD1-N 2.82Å
128N97.4Very high95.9Very high90 Ų9053 Ų5348%0.48125%0.249SC..Hα-helixtrans-64.9-35.1178.4-72.5-54.3000112.5E124E124-N128 PolarHBondContact O-N 2.84Å; E124-N128 VanDerWaalsContact O-N 3.07Å; E124-N128 PolarHBondContact O-ND2 3.41Å; E124-N128 PolarHBondContact OE1-ND2 3.47Å
129R96.9Very high96.1Very high77 Ų7752.1 Ų52.129%0.29124%0.239SC..Hα-helixtrans-65.9-48.6178.6-177.7178.283102.34.7111.9E67 W125 E126 N127 K133E67-R129 IonicContact OE2-CZ 3.77Å; E67-R129 IonicContact OE2-NH1 2.71Å; E67-R129 IonicContact OE2-NH2 2.61Å; E67-R129 PolarHBondContact OE2-NH2 2.61Å; W125-R129 VanDerWaalsContact O-CB 3.23Å; W125-R129 WeakPolarHBondContact O-CB 3.49Å; W125-R129 PolarHBondContact O-N 2.99Å; E126-R129 PolarHBondContact O-N 3.42Å; E126-R129 IonicContact OE1-NH2 3.73Å; E126-R129 IonicContact OE2-CZ 3.76Å; E126-R129 IonicContact OE2-NE 3.44Å; E126-R129 PolarHBondContact OE2-NE 2.88Å; E126-R129 VanDerWaalsContact OE2-NE 3.16Å; E126-R129 IonicContact OE2-NH2 3.54Å; E126-R129 PolarHBondContact OE2-NH2 3.08Å; N127-R129 VanDerWaalsContact C-N 3.31Å; N127-R129 PolarHBondContact O-N 3.19Å; R129-K133 PolarHBondContact O-NZ 3.22Å
130L96.5Very high96.2Very high35 Ų3553.2 Ų53.218%0.18325%0.245CC..THydrogen-bonded Turntrans-137.1-57.5-165.6178.863.2000113.5V63 E67 E126 N127 H132 K133 L134V63-L130 HydrophobicContact CG2-CD2 4.47Å; E67-L130 HydrophobicContact CB-CD2 3.82Å; E67-L130 HydrophobicContact CG-CD2 3.96Å; E126-L130 PolarHBondContact O-N 3.35Å; N127-L130 PolarHBondContact O-N 3.36Å; L130-H132 PolarHBondContact O-N 3.4Å; L130-K133 WeakPolarHBondContact O-CB 3.35Å; L130-K133 PolarHBondContact O-N 3.46Å; L130-K133 VanDerWaalsContact O-N 3.08Å; L130-L134 HydrophobicContact CD1-CD1 3.91Å; L130-L134 HydrophobicContact CD1-CG 4.28Å; L130-L134 HydrophobicContact CD2-CD1 4.42Å; L130-L134 HydrophobicContact CG-CD1 3.89Å; L130-L134 PolarHBondContact O-N 3.01Å
131Y96.9Very high96.1Very high0 Ų051.1 Ų51.10%024%0.238CC..G310 helixtrans-68.6-33.6-160.3-67.6-76000114.1V63 S71 E126 N127 K133 L134 C135 L136 W138V63-Y131 HydrophobicContact CB-CE1 4.46Å; V63-Y131 HydrophobicContact CG2-CE1 3.92Å; S71-Y131 WeakPolarHBondContact CB-OH 3.27Å; S71-Y131 WeakPolarHBondContact OG-CE2 3.33Å; S71-Y131 PolarHBondContact OG-OH 2.89Å; E126-Y131 HydrophobicContact CB-CD2 4.05Å; E126-Y131 HydrophobicContact CB-CE2 4.03Å; E126-Y131 PolarHBondContact O-N 3.09Å; N127-Y131 PolarHBondContact O-N 2.97Å; N127-Y131 VanDerWaalsContact O-N 3.14Å; Y131-K133 PolarHBondContact O-N 3.43Å; Y131-L134 HydrophobicContact CD1-CD1 4.47Å; Y131-L134 CarbonylContact O-C 3.44Å; Y131-L134 WeakPolarHBondContact O-CA 3.39Å; Y131-L134 WeakPolarHBondContact O-CB 3.48Å; Y131-L134 PolarHBondContact O-N 2.88Å; Y131-C135 PolarHBondContact O-N 2.86Å; Y131-L136 CarbonylContact C-O 3.55Å; Y131-L136 WeakPolarHBondContact CB-O 3.37Å; Y131-L136 HydrophobicContact CD1-CB 4.13Å; Y131-L136 HydrophobicContact CD1-CD1 3.97Å; Y131-L136 PolarHBondContact O-N 3.08Å; Y131-W138 AromaticContact CD1-CD1 3.76Å; Y131-W138 AromaticContact CD1-CE2 3.97Å; Y131-W138 HydrophobicContact CD1-CZ2 4.44Å; Y131-W138 AromaticContact CD1-NE1 3.15Å; Y131-W138 AromaticContact CD2-CD1 3.83Å; Y131-W138 HydrophobicContact CD2-CD2 4.47Å; Y131-W138 HydrophobicContact CD2-CG 4.29Å; Y131-W138 AromaticContact CD2-NE1 3.76Å; Y131-W138 AromaticContact CE1-CE2 3.54Å; Y131-W138 AromaticContact CE1-CZ2 3.58Å; Y131-W138 HydrophobicContact CE1-CZ2 3.58Å; Y131-W138 AromaticContact CE1-NE1 3.19Å; Y131-W138 HydrophobicContact CE2-CD2 4.24Å; Y131-W138 AromaticContact CE2-CE2 3.79Å; Y131-W138 HydrophobicContact CE2-CZ2 4.04Å; Y131-W138 AromaticContact CE2-NE1 3.82Å; Y131-W138 AromaticContact CG-CD1 3.58Å; Y131-W138 HydrophobicContact CG-CG 4.45Å; Y131-W138 AromaticContact CG-NE1 3.45Å; Y131-W138 AromaticContact CZ-CE2 3.46Å; Y131-W138 VanDerWaalsContact CZ-CE2 3.46Å; Y131-W138 AromaticContact CZ-CZ2 3.35Å; Y131-W138 AromaticContact CZ-NE1 3.55Å; Y131-W138 VanDerWaalsContact OH-CZ2 3.27Å; Y131-W138 WeakPolarHBondContact OH-CZ2 3.24Å
132H95.4Very high95.9Very high66 Ų6646.9 Ų46.931%0.30622%0.219SC..G310 helixtrans-62.1-34.1174.5-71.4172.7000112.3N127 L130 L134 C135 L136 H137N127-H132 WeakPolarHBondContact CB-NE2 3.44Å; N127-H132 PolarHBondContact O-N 3.3Å; L130-H132 PolarHBondContact O-N 3.4Å; H132-L134 PolarHBondContact O-N 2.79Å; H132-C135 PolarHBondContact O-N 2.95Å; H132-C135 VanDerWaalsContact O-N 3.09Å; H132-L136 PolarHBondContact CD2-O 2.95Å; H132-L136 PolarHBondContact N-O 3.02Å; H132-H137 AromaticContact NE2-ND1 3.24Å; H132-H137 PolarHBondContact NE2-ND1 3.36Å
133K93.7Very high95.5Very high159 Ų15949.2 Ų49.269%0.69123%0.226SC*.G310 helixtrans-67.3-20.6174.6-56.7170.8-177.2163.10112.3R129 L130 Y131R129-K133 PolarHBondContact O-NZ 3.22Å; L130-K133 WeakPolarHBondContact O-CB 3.35Å; L130-K133 PolarHBondContact O-N 3.46Å; L130-K133 VanDerWaalsContact O-N 3.08Å; Y131-K133 PolarHBondContact O-N 3.43Å
134L94.4Very high94.9Very high59 Ų5955 Ų5531%0.30925%0.251SS..G310 helixtrans-97.26.3176.7-56.5178.6000112.6V63 L130 Y131 H132 L136V63-L134 HydrophobicContact CB-CD1 3.87Å; V63-L134 HydrophobicContact CG2-CD1 3.84Å; L130-L134 HydrophobicContact CD1-CD1 3.91Å; L130-L134 HydrophobicContact CD1-CG 4.28Å; L130-L134 HydrophobicContact CD2-CD1 4.42Å; L130-L134 HydrophobicContact CG-CD1 3.89Å; L130-L134 PolarHBondContact O-N 3.01Å; Y131-L134 HydrophobicContact CD1-CD1 4.47Å; Y131-L134 CarbonylContact O-C 3.44Å; Y131-L134 WeakPolarHBondContact O-CA 3.39Å; Y131-L134 WeakPolarHBondContact O-CB 3.48Å; Y131-L134 PolarHBondContact O-N 2.88Å; H132-L134 PolarHBondContact O-N 2.79Å; L134-L136 VanDerWaalsContact C-N 3.26Å; L134-L136 HydrophobicContact CB-CD1 4.17Å; L134-L136 HydrophobicContact CB-CG 4.27Å; L134-L136 PolarHBondContact O-N 3.37Å
135C93.5Very high94.1Very high40 Ų4052.3 Ų52.327%0.2724%0.241SC..THydrogen-bonded Turntrans5739.3-171.3-520000112.6Y131 H132 L160Y131-C135 PolarHBondContact O-N 2.86Å; H132-C135 PolarHBondContact O-N 2.95Å; H132-C135 VanDerWaalsContact O-N 3.09Å; C135-L160 HydrophobicContact CB-CB 4.28Å; C135-L160 PolarHBondContact O-N 3.33Å
136L95.1Very high93.1Very high1 Ų153.2 Ų53.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-121.5145.5175.8-63.3174000109.3L59 K62 V63 Y131 H132 L134 I157 E158 F159L59-L136 HydrophobicContact CD2-CD1 4.42Å; L59-L136 HydrophobicContact CD2-CD2 4.43Å; K62-L136 HydrophobicContact CB-CD1 4.39Å; V63-L136 HydrophobicContact CB-CD1 4.43Å; V63-L136 HydrophobicContact CG1-CD1 4.44Å; Y131-L136 CarbonylContact C-O 3.55Å; Y131-L136 WeakPolarHBondContact CB-O 3.37Å; Y131-L136 HydrophobicContact CD1-CB 4.13Å; Y131-L136 HydrophobicContact CD1-CD1 3.97Å; Y131-L136 PolarHBondContact O-N 3.08Å; H132-L136 PolarHBondContact CD2-O 2.95Å; H132-L136 PolarHBondContact N-O 3.02Å; L134-L136 VanDerWaalsContact C-N 3.26Å; L134-L136 HydrophobicContact CB-CD1 4.17Å; L134-L136 HydrophobicContact CB-CG 4.27Å; L134-L136 PolarHBondContact O-N 3.37Å; L136-I157 HydrophobicContact CB-CG2 4.28Å; L136-I157 HydrophobicContact CD2-CG2 4.08Å; L136-E158 CarbonylContact C-O 3.51Å; L136-E158 VanDerWaalsContact CA-O 3.29Å; L136-E158 WeakPolarHBondContact CA-O 3.39Å; L136-F159 HydrophobicContact CD2-CD1 3.55Å; L136-F159 HydrophobicContact CD2-CE1 3.68Å; L136-F159 HydrophobicContact CD2-CG 4.38Å
137H95.9Very high92.1Very high38 Ų3859.6 Ų59.618%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-131.3119.8174.6-179.193.1000109.7N127 H132 I157 E158 L160N127-H137 PolarHBondContact ND2-CE1 3.3Å; H132-H137 AromaticContact NE2-ND1 3.24Å; H132-H137 PolarHBondContact NE2-ND1 3.36Å; H137-I157 CarbonylContact O-C 3.58Å; H137-I157 WeakPolarHBondContact O-CA 3.47Å; H137-E158 HydrophobicContact CB-CB 4.36Å; H137-E158 IonicContact CD2-OE2 3.05Å; H137-E158 PolarHBondContact N-O 3.38Å; H137-E158 PolarHBondContact O-N 3.4Å; H137-L160 HydrophobicContact CB-CD1 4.23Å; H137-L160 HydrophobicContact CB-CD2 3.85Å; H137-L160 HydrophobicContact CB-CG 4.02Å
138W97.5Very high90.9Very high2 Ų263.4 Ų63.41%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-95.1126.6177.2-72.146.6000109.8F68 I72 L123 N127 Y131 I155 L156 I157F68-W138 AromaticContact CD2-CH2 3.44Å; F68-W138 HydrophobicContact CD2-CH2 3.44Å; F68-W138 VanDerWaalsContact CD2-CH2 3.44Å; F68-W138 AromaticContact CD2-CZ2 3.53Å; F68-W138 HydrophobicContact CD2-CZ2 3.53Å; F68-W138 AromaticContact CE2-CH2 3.47Å; F68-W138 HydrophobicContact CE2-CH2 3.47Å; F68-W138 VanDerWaalsContact CE2-CH2 3.47Å; F68-W138 AromaticContact CE2-CZ2 3.83Å; F68-W138 HydrophobicContact CE2-CZ2 3.83Å; F68-W138 HydrophobicContact CE2-CZ3 4.49Å; F68-W138 HydrophobicContact CG-CH2 4.36Å; F68-W138 HydrophobicContact CZ-CH2 4.42Å; I72-W138 HydrophobicContact CD1-CH2 4.03Å; I72-W138 HydrophobicContact CD1-CZ3 3.59Å; I72-W138 HydrophobicContact CG1-CH2 3.94Å; I72-W138 HydrophobicContact CG1-CZ3 3.96Å; L123-W138 HydrophobicContact CD2-CB 4.23Å; L123-W138 HydrophobicContact CD2-CE3 3.94Å; N127-W138 PolarHBondContact ND2-N 3.48Å; N127-W138 PolarHBondContact ND2-O 3.35Å; N127-W138 WeakPolarHBondContact OD1-CB 3.42Å; N127-W138 PolarHBondContact OD1-N 2.82Å; Y131-W138 AromaticContact CD1-CD1 3.76Å; Y131-W138 AromaticContact CD1-CE2 3.97Å; Y131-W138 HydrophobicContact CD1-CZ2 4.44Å; Y131-W138 AromaticContact CD1-NE1 3.15Å; Y131-W138 AromaticContact CD2-CD1 3.83Å; Y131-W138 HydrophobicContact CD2-CD2 4.47Å; Y131-W138 HydrophobicContact CD2-CG 4.29Å; Y131-W138 AromaticContact CD2-NE1 3.76Å; Y131-W138 AromaticContact CE1-CE2 3.54Å; Y131-W138 AromaticContact CE1-CZ2 3.58Å; Y131-W138 HydrophobicContact CE1-CZ2 3.58Å; Y131-W138 AromaticContact CE1-NE1 3.19Å; Y131-W138 HydrophobicContact CE2-CD2 4.24Å; Y131-W138 AromaticContact CE2-CE2 3.79Å; Y131-W138 HydrophobicContact CE2-CZ2 4.04Å; Y131-W138 AromaticContact CE2-NE1 3.82Å; Y131-W138 AromaticContact CG-CD1 3.58Å; Y131-W138 HydrophobicContact CG-CG 4.45Å; Y131-W138 AromaticContact CG-NE1 3.45Å; Y131-W138 AromaticContact CZ-CE2 3.46Å; Y131-W138 VanDerWaalsContact CZ-CE2 3.46Å; Y131-W138 AromaticContact CZ-CZ2 3.35Å; Y131-W138 AromaticContact CZ-NE1 3.55Å; Y131-W138 VanDerWaalsContact OH-CZ2 3.27Å; Y131-W138 WeakPolarHBondContact OH-CZ2 3.24Å; W138-I155 HydrophobicContact CD2-CG2 4.32Å; W138-I155 HydrophobicContact CE3-CG2 3.65Å; W138-I155 HydrophobicContact CZ3-CG2 4.23Å; W138-L156 CarbonylContact C-O 3.46Å; W138-L156 VanDerWaalsContact CA-O 3.27Å; W138-L156 WeakPolarHBondContact CA-O 3.02Å; W138-I157 HydrophobicContact CD2-CD1 4.07Å; W138-I157 HydrophobicContact CD2-CG1 3.83Å; W138-I157 HydrophobicContact CE3-CG1 4.46Å; W138-I157 HydrophobicContact CG-CG1 4.03Å; W138-I157 HydrophobicContact CH2-CD1 4.03Å; W138-I157 HydrophobicContact CZ2-CD1 3.49Å; W138-I157 VanDerWaalsContact CZ2-CD1 3.49Å; W138-I157 HydrophobicContact CZ2-CG1 4.19Å
139K95.9Very high89.9Confident38 Ų3865.1 Ų65.117%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-136.5152.7173.269.3-174.5-172.1-1610112.2E23 I155 L156 E158E23-K139 IonicContact OE2-NZ 3.16Å; E23-K139 PolarHBondContact OE2-NZ 3.12Å; K139-I155 CarbonylContact O-C 3.46Å; K139-I155 WeakPolarHBondContact O-CA 3.1Å; K139-L156 HydrophobicContact CG-CB 4.05Å; K139-L156 PolarHBondContact N-O 3.2Å; K139-L156 PolarHBondContact O-N 3.43Å; K139-E158 WeakPolarHBondContact CE-OE1 3.29Å; K139-E158 WeakPolarHBondContact CE-OE2 3.49Å; K139-E158 IonicContact NZ-OE1 3.22Å; K139-E158 PolarHBondContact NZ-OE1 3.41Å; K139-E158 IonicContact NZ-OE2 3.82Å; K139-E158 PolarHBondContact NZ-OE2 2.94Å
140L95.6Very high89.1Confident22 Ų2267.3 Ų67.312%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-86.5128.5170.7-171.267.5000107.6F51 R116 I119 E120 L123 Y153 I155F51-L140 HydrophobicContact CZ-CD1 4.08Å; R116-L140 HydrophobicContact CG-CD2 3.61Å; I119-L140 HydrophobicContact CB-CD2 4.33Å; I119-L140 HydrophobicContact CG2-CD1 4.39Å; I119-L140 HydrophobicContact CG2-CD2 4.14Å; E120-L140 HydrophobicContact CG-CB 4.24Å; E120-L140 HydrophobicContact CG-CD2 4.37Å; L123-L140 HydrophobicContact CD1-CB 4Å; L140-Y153 HydrophobicContact CD1-CD1 4.49Å; L140-Y153 HydrophobicContact CD2-CD1 4.17Å; L140-Y153 HydrophobicContact CG-CD1 3.97Å; L140-I155 HydrophobicContact CD1-CG1 4.28Å
141S93.2Very high88.6Confident26 Ų2670 Ų7018%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-136.9144.1-176.4-176.80000111.1Y153 V154S141-Y153 CarbonylContact O-C 3.6Å; S141-Y153 WeakPolarHBondContact O-CA 3.22Å; S141-V154 PolarHBondContact N-O 3.41Å; S141-V154 PolarHBondContact O-N 3.1Å
142K90.9Very high88.3Confident73 Ų7371.3 Ų71.332%0.31735%0.353SS..EExtended strand (participates in β ladder)trans-86.9119.3175.3-162-172.5178.6-176.70108.1E13 M151 E152 Y153E13-K142 IonicContact OE1-NZ 3.96Å; E13-K142 PolarHBondContact OE1-NZ 3.22Å; K142-M151 HydrophobicContact CD-CE 4.01Å; K142-M151 HydrophobicContact CG-CB 4.24Å; K142-M151 HydrophobicContact CG-CE 3.84Å; K142-E152 CarbonylContact C-O 3.57Å; K142-E152 WeakPolarHBondContact CA-O 3.18Å; K142-Y153 HydrophobicContact CB-CD1 4.39Å; K142-Y153 HydrophobicContact CB-CE1 4.15Å; K142-Y153 HydrophobicContact CG-CE1 4.45Å
143R88.5Confident88.2Confident82 Ų8269.6 Ų69.631%0.30934%0.344SS..EExtended strand (participates in β ladder)trans-130156.2177.7-71.3-160.1175.8-174.5-1.2111.3V35 E152 V154 L156V35-R143 VanDerWaalsContact CG2-NH1 3.31Å; R143-E152 PolarHBondContact N-O 3.23Å; R143-E152 PolarHBondContact O-N 3.09Å; R143-E152 VanDerWaalsContact O-O 3.12Å; R143-V154 HydrophobicContact CB-CG2 4.1Å; R143-V154 HydrophobicContact CG-CG2 3.81Å; R143-L156 VanDerWaalsContact NH2-CD1 3.33Å
144K85.9Confident88.2Confident124 Ų12462 Ų6254%0.53931%0.312SS..EExtended strand (participates in β ladder)trans-69.7132.3171.2-165.2174.3-179.9-177.60109.6N149 M151K144-N149 WeakPolarHBondContact CE-OD1 3.44Å; K144-N149 PolarHBondContact NZ-OD1 2.66Å; K144-M151 HydrophobicContact CB-SD 4.18Å
145C80.6Confident88.4Confident26 Ų2659.2 Ų59.218%0.17630%0.297CS..  trans-67.1141.4175.2-167.80000109.8T147 N148 M150 E152C145-T147 VanDerWaalsContact C-N 3.33Å; C145-T147 PolarHBondContact SG-OG1 2.93Å; C145-T147 VanDerWaalsContact SG-OG1 3.38Å; C145-N148 CarbonylContact C-O 3.58Å; C145-N148 WeakPolarHBondContact CB-O 3.48Å; C145-M150 VanDerWaalsContact CB-O 3.31Å; C145-M150 WeakPolarHBondContact CB-O 3.27Å; C145-M150 PolarHBondContact N-O 3.2Å; C145-E152 WeakPolarHBondContact CA-OE1 3.44Å; C145-E152 HydrophobicContact CB-CG 4.09Å; C145-E152 PolarHBondContact SG-OE1 3.17Å
146E76.2Confident88.5Confident158 Ų15857.4 Ų57.474%0.73829%0.285SS*.SBendtrans-73.3-29.8-179.4-73.1173.4-172.800112R37R37-E146 IonicContact CZ-OE1 3.71Å; R37-E146 IonicContact NE-OE1 3.18Å; R37-E146 IonicContact NH2-OE1 3.99Å; R37-E146 PolarHBondContact NH2-OE1 3.48Å; R37-E146 IonicContact NH2-OE2 3.94Å
147T76.2Confident88.6Confident134 Ų13457.4 Ų57.482%0.82228%0.284SS*.SBendtrans-93.3-17.1-173.757.80000113.4C145C145-T147 VanDerWaalsContact C-N 3.33Å; C145-T147 PolarHBondContact SG-OG1 2.93Å; C145-T147 VanDerWaalsContact SG-OG1 3.38Å
148N73.1Confident88.5Confident82 Ų8256.6 Ų56.644%0.43928%0.281SS..SBendtrans-149.6154.1178-168.3-4.5000109.8C145 M150C145-N148 CarbonylContact C-O 3.58Å; C145-N148 WeakPolarHBondContact CB-O 3.48Å; N148-M150 WeakPolarHBondContact ND2-CE 3.44Å; N148-M150 PolarHBondContact O-N 3.21Å
149N75.5Confident88.2Confident126 Ų12657.7 Ų57.767%0.67429%0.286SS*.SBendtrans-67.88.1177.8-74.8-35.7000114.7K144K144-N149 WeakPolarHBondContact CE-OD1 3.44Å; K144-N149 PolarHBondContact NZ-OD1 2.66Å
150M81.5Confident87.9Confident122 Ų12258.9 Ų58.960%0.60129%0.293SS*.SBendtrans-78.1149.6178.4-64.4-166.5-61.100111.6C145 N148C145-M150 VanDerWaalsContact CB-O 3.31Å; C145-M150 WeakPolarHBondContact CB-O 3.27Å; C145-M150 PolarHBondContact N-O 3.2Å; N148-M150 WeakPolarHBondContact ND2-CE 3.44Å; N148-M150 PolarHBondContact O-N 3.21Å
151M86Confident87.2Confident91 Ų9162.9 Ų62.945%0.44832%0.321SS..EExtended strand (participates in β ladder)trans-80.5137.9170.4-65.3-63.7-91.900110.2G46 K142 K144G46-M151 WeakPolarHBondContact CA-O 3.46Å; K142-M151 HydrophobicContact CD-CE 4.01Å; K142-M151 HydrophobicContact CG-CB 4.24Å; K142-M151 HydrophobicContact CG-CE 3.84Å; K144-M151 HydrophobicContact CB-SD 4.18Å
152E90Very high85.9Confident28 Ų2869.3 Ų69.313%0.13135%0.346CS..EExtended strand (participates in β ladder)trans-131.3150.5175.965.2174.1152.100111.8R37 G46 K142 R143 C145 V154R37-E152 IonicContact CZ-OE1 2.87Å; R37-E152 IonicContact NH1-OE1 3.84Å; R37-E152 PolarHBondContact NH1-OE1 3.27Å; G46-E152 CarbonylContact O-C 3.58Å; G46-E152 WeakPolarHBondContact O-CA 3.43Å; K142-E152 CarbonylContact C-O 3.57Å; K142-E152 WeakPolarHBondContact CA-O 3.18Å; R143-E152 PolarHBondContact N-O 3.23Å; R143-E152 PolarHBondContact O-N 3.09Å; R143-E152 VanDerWaalsContact O-O 3.12Å; C145-E152 WeakPolarHBondContact CA-OE1 3.44Å; C145-E152 HydrophobicContact CB-CG 4.09Å; C145-E152 PolarHBondContact SG-OE1 3.17Å; E152-V154 HydrophobicContact CG-CG1 4.02Å
153Y92.6Very high84.5Confident30 Ų3073 Ų7312%0.11837%0.367CS..EExtended strand (participates in β ladder)trans-87.8124.2171-75.3-82000109.7F45 G46 L47 F51 R116 L140 S141 K142F45-Y153 WeakPolarHBondContact O-CE2 3.29Å; G46-Y153 PolarHBondContact O-N 3.07Å; L47-Y153 HydrophobicContact CB-CD2 4.06Å; L47-Y153 HydrophobicContact CD1-CG 4.34Å; F51-Y153 WeakPolarHBondContact CE1-O 3.44Å; R116-Y153 WeakPolarHBondContact CD-OH 3.13Å; R116-Y153 HydrophobicContact CG-CE1 4.3Å; R116-Y153 PolarHBondContact NH1-OH 2.96Å; L140-Y153 HydrophobicContact CD1-CD1 4.49Å; L140-Y153 HydrophobicContact CD2-CD1 4.17Å; L140-Y153 HydrophobicContact CG-CD1 3.97Å; S141-Y153 CarbonylContact O-C 3.6Å; S141-Y153 WeakPolarHBondContact O-CA 3.22Å; K142-Y153 HydrophobicContact CB-CD1 4.39Å; K142-Y153 HydrophobicContact CB-CE1 4.15Å; K142-Y153 HydrophobicContact CG-CE1 4.45Å
154V94.8Very high83Confident0 Ų074.4 Ų74.40%039%0.387CS..EExtended strand (participates in β ladder)trans-119.7154.4176.1-60.50000109.8V35 R37 S141 R143 E152 L156V35-V154 HydrophobicContact CG1-CB 3.88Å; V35-V154 HydrophobicContact CG1-CG1 4.11Å; V35-V154 HydrophobicContact CG1-CG2 3.95Å; R37-V154 HydrophobicContact CG-CG1 4.04Å; S141-V154 PolarHBondContact N-O 3.41Å; S141-V154 PolarHBondContact O-N 3.1Å; R143-V154 HydrophobicContact CB-CG2 4.1Å; R143-V154 HydrophobicContact CG-CG2 3.81Å; E152-V154 HydrophobicContact CG-CG1 4.02Å; V154-L156 HydrophobicContact CG2-CD2 3.83Å; V154-L156 HydrophobicContact CG2-CG 4.27Å
155I97Very high81.6Confident0 Ų076 Ų760%040%0.4CS..EExtended strand (participates in β ladder)trans-90.4123.7168.5-61.9169.6000107.3V36 F51 I72 V75 W138 K139 L140V36-I155 HydrophobicContact CB-CB 4.19Å; V36-I155 PolarHBondContact N-O 3.38Å; V36-I155 PolarHBondContact O-N 3.29Å; F51-I155 HydrophobicContact CB-CD1 4.36Å; F51-I155 HydrophobicContact CD1-CD1 4.06Å; F51-I155 HydrophobicContact CD1-CG1 4.17Å; F51-I155 HydrophobicContact CD2-CD1 3.79Å; F51-I155 HydrophobicContact CD2-CG1 4.43Å; F51-I155 HydrophobicContact CE1-CD1 4.32Å; F51-I155 HydrophobicContact CE1-CG1 4.02Å; F51-I155 HydrophobicContact CE2-CD1 4.03Å; F51-I155 HydrophobicContact CE2-CG1 4.26Å; F51-I155 HydrophobicContact CG-CD1 3.8Å; F51-I155 HydrophobicContact CG-CG1 4.38Å; F51-I155 HydrophobicContact CZ-CD1 4.3Å; F51-I155 HydrophobicContact CZ-CG1 4.06Å; I72-I155 HydrophobicContact CD1-CD1 3.96Å; V75-I155 HydrophobicContact CG1-CD1 4.24Å; V75-I155 HydrophobicContact CG2-CD1 4.48Å; W138-I155 HydrophobicContact CD2-CG2 4.32Å; W138-I155 HydrophobicContact CE3-CG2 3.65Å; W138-I155 HydrophobicContact CZ3-CG2 4.23Å; K139-I155 CarbonylContact O-C 3.46Å; K139-I155 WeakPolarHBondContact O-CA 3.1Å; L140-I155 HydrophobicContact CD1-CG1 4.28Å
156L96.4Very high80.3Confident3 Ų384.1 Ų84.12%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-99.1137.4172.5-60.1-177.5000109.7V35 W138 K139 R143 V154V35-L156 HydrophobicContact CB-CD2 4.34Å; V35-L156 HydrophobicContact CG1-CD2 4.18Å; V35-L156 HydrophobicContact CG2-CD2 3.85Å; W138-L156 CarbonylContact C-O 3.46Å; W138-L156 VanDerWaalsContact CA-O 3.27Å; W138-L156 WeakPolarHBondContact CA-O 3.02Å; K139-L156 HydrophobicContact CG-CB 4.05Å; K139-L156 PolarHBondContact N-O 3.2Å; K139-L156 PolarHBondContact O-N 3.43Å; R143-L156 VanDerWaalsContact NH2-CD1 3.33Å; V154-L156 HydrophobicContact CG2-CD2 3.83Å; V154-L156 HydrophobicContact CG2-CG 4.27Å
157I96.7Very high79.1Confident0 Ų085.7 Ų85.70%044%0.437CS..EExtended strand (participates in β ladder)trans-116.8101.9173.2-52.7171.5000106.8P33 V34 V36 L59 F68 L136 H137 W138P33-I157 WeakPolarHBondContact CA-O 3.35Å; V34-I157 HydrophobicContact CB-CB 4.17Å; V34-I157 PolarHBondContact N-O 3.14Å; V34-I157 PolarHBondContact O-N 3.02Å; V36-I157 HydrophobicContact CG2-CD1 3.96Å; L59-I157 HydrophobicContact CD1-CD1 3.72Å; L59-I157 HydrophobicContact CD2-CG2 4.09Å; F68-I157 HydrophobicContact CD2-CD1 4.49Å; F68-I157 HydrophobicContact CE2-CD1 3.97Å; L136-I157 HydrophobicContact CB-CG2 4.28Å; L136-I157 HydrophobicContact CD2-CG2 4.08Å; H137-I157 CarbonylContact O-C 3.58Å; H137-I157 WeakPolarHBondContact O-CA 3.47Å; W138-I157 HydrophobicContact CD2-CD1 4.07Å; W138-I157 HydrophobicContact CD2-CG1 3.83Å; W138-I157 HydrophobicContact CE3-CG1 4.46Å; W138-I157 HydrophobicContact CG-CG1 4.03Å; W138-I157 HydrophobicContact CH2-CD1 4.03Å; W138-I157 HydrophobicContact CZ2-CD1 3.49Å; W138-I157 VanDerWaalsContact CZ2-CD1 3.49Å; W138-I157 HydrophobicContact CZ2-CG1 4.19Å
158E94.6Very high78.5Confident22 Ų2285 Ų8510%0.10343%0.434CS..EExtended strand (participates in β ladder)trans-89.6147.6-178.6-67.9178.815500110.7P33 L136 H137 K139P33-E158 HydrophobicContact CB-CG 3.94Å; L136-E158 CarbonylContact C-O 3.51Å; L136-E158 VanDerWaalsContact CA-O 3.29Å; L136-E158 WeakPolarHBondContact CA-O 3.39Å; H137-E158 HydrophobicContact CB-CB 4.36Å; H137-E158 IonicContact CD2-OE2 3.05Å; H137-E158 PolarHBondContact N-O 3.38Å; H137-E158 PolarHBondContact O-N 3.4Å; K139-E158 WeakPolarHBondContact CE-OE1 3.29Å; K139-E158 WeakPolarHBondContact CE-OE2 3.49Å; K139-E158 IonicContact NZ-OE1 3.22Å; K139-E158 PolarHBondContact NZ-OE1 3.41Å; K139-E158 IonicContact NZ-OE2 3.82Å; K139-E158 PolarHBondContact NZ-OE2 2.94Å
159F91.9Very high77.6Confident25 Ų2592.6 Ų92.611%0.1148%0.475CS..EExtended strand (participates in β ladder)trans-94.8114.4175.8-62.8-86.3000109P31 D32 V34 L59 L136P31-F159 HydrophobicContact CB-CD2 4.18Å; P31-F159 HydrophobicContact CG-CB 3.62Å; P31-F159 HydrophobicContact CG-CD1 4.5Å; P31-F159 HydrophobicContact CG-CD2 3.66Å; P31-F159 HydrophobicContact CG-CE2 4.44Å; P31-F159 HydrophobicContact CG-CG 3.68Å; D32-F159 WeakPolarHBondContact O-CE2 3.44Å; V34-F159 HydrophobicContact CG2-CE2 4.05Å; V34-F159 HydrophobicContact CG2-CZ 3.97Å; L59-F159 HydrophobicContact CD2-CZ 4.47Å; L136-F159 HydrophobicContact CD2-CD1 3.55Å; L136-F159 HydrophobicContact CD2-CE1 3.68Å; L136-F159 HydrophobicContact CD2-CG 4.38Å
160L89.3Confident77.7Confident62 Ų6291 Ų9133%0.32547%0.465SS..PPolyproline II helixtrans-73.1138177.2-62.4176000109.7C135 H137 K162C135-L160 HydrophobicContact CB-CB 4.28Å; C135-L160 PolarHBondContact O-N 3.33Å; H137-L160 HydrophobicContact CB-CD1 4.23Å; H137-L160 HydrophobicContact CB-CD2 3.85Å; H137-L160 HydrophobicContact CB-CG 4.02Å; L160-K162 PolarHBondContact O-N 3.44Å
161P79.8Confident77.5Confident106 Ų10689.3 Ų89.369%0.68846%0.458SS*.PPolyproline II helixtrans-61.3130.8178.924.7-32.5000110.1I163P161-I163 PolarHBondContact O-N 2.87Å
162K66.6Low77Confident162 Ų16289.2 Ų89.270%0.70446%0.459SS*.PPolyproline II helixtrans-73.2123.1168.9-68-173.2178.6-1740107.6L160 P164L160-K162 PolarHBondContact O-N 3.44Å; K162-P164 VanDerWaalsContact O-CD 3.25Å; K162-P164 WeakPolarHBondContact O-CD 3.24Å; K162-P164 VanDerWaalsContact O-N 3.08Å
163I61.6Low76.2Confident151 Ų15192.8 Ų92.877%0.77448%0.478SS*.PPolyproline II helixtrans-55.7117.9169-57.5166.2000106.6P161 I165P161-I163 PolarHBondContact O-N 2.87Å; I163-I165 WeakPolarHBondContact O-CG1 3.34Å; I163-I165 PolarHBondContact O-N 3.02Å
164P56.4Low75.2Confident111 Ų11196.8 Ų96.872%0.72150%0.5SS*.  trans-66.6112.8177.624.6-29.8000108.3K162 F166K162-P164 VanDerWaalsContact O-CD 3.25Å; K162-P164 WeakPolarHBondContact O-CD 3.24Å; K162-P164 VanDerWaalsContact O-N 3.08Å; P164-F166 PolarHBondContact O-N 3Å
165I57.8Low73.9Confident158 Ų158103.2 Ų103.281%0.8153%0.534SS*.  trans-76.3-2.9-179-42.8177.8000111.2I163 K167I163-I165 WeakPolarHBondContact O-CG1 3.34Å; I163-I165 PolarHBondContact O-N 3.02Å; I165-K167 PolarHBondContact O-N 3.28Å
166F53.1Low72.3Confident195 Ų195110.6 Ų110.686%0.85557%0.572SS**  trans-91.877.7177.3-76.9-83.4000111.5P164P164-F166 PolarHBondContact O-N 3Å
167K50.5Low70.4Confident192 Ų192118.8 Ų118.884%0.83562%0.615SS**  trans-102.9111.5144.1-83.2-174175.1179.80106.6I165I165-K167 PolarHBondContact O-N 3.28Å
168P63Low68.2Low119 Ų119128.8 Ų128.877%0.77367%0.666SS**  trans-64.6139.2163.727.2-28.9000108.6
169D54Low65.8Low242 Ų242138.5 Ų138.5100%1.29472%0.717SS**  trans-54.70176.6-70.1-34.9000113

Retrieved 169 of 169 residues in 84.6 ms (Link to these results)

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