A0A090N7S2_HUMAN Loading...

Rho guanine nucleotide exchange factor (GEF) 5

AlphaFold DB , UniProt , Accession A0A090N7S2, Species HUMAN (Homo sapiens, Human), Gene ARHGEF5, Length 519 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
1M30.6Very low44.2Very low250 Ų250122 Ų122100%1.23267%0.672SS**  0128.20-69.9-127.4-150.700107.3
2G29.1Very low45.4Very low73 Ų73114.1 Ų114.175%0.75363%0.627SS**  trans-58.6129.8-151.400000115.9F4G2-F4 PolarHBondContact O-N 3.43Å
3G25.1Very low46Very low78 Ų78116.6 Ų116.680%0.80464%0.64SS**  trans-70.2114.5163.900000109S5G3-S5 PolarHBondContact O-N 3.39Å
4F29.6Very low46.6Very low195 Ų195113.4 Ų113.486%0.85563%0.629SS**  trans-64.1104.4165.9-78.3-90.8000107.7G2 R6G2-F4 PolarHBondContact O-N 3.43Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.24Å
5S34.2Very low47.1Very low123 Ų123106.4 Ų106.486%0.8659%0.592SS**  trans-65.396.4166.2-173.70000107.2G3 R7G3-S5 PolarHBondContact O-N 3.39Å; S5-R7 PolarHBondContact O-N 3.12Å
6R52Low48Very low187 Ų187106.8 Ų106.871%0.70659%0.588SS**PPolyproline II helixtrans-62.4132.8179.4-65.9-177.6-173.9178.40.8109F4 C8F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.24Å; R6-C8 PolarHBondContact O-N 3.07Å
7R51.8Low49.3Very low129 Ų129103.4 Ų103.449%0.48757%0.568SS.*PPolyproline II helixtrans-64.7125.6178.3-164.8175.2-175-168.5-4.3108.9S5 S9 E163S5-R7 PolarHBondContact O-N 3.12Å; R7-S9 PolarHBondContact O-N 2.98Å; R7-E163 IonicContact CZ-OE1 3.65Å; R7-E163 IonicContact CZ-OE2 2.73Å; R7-E163 IonicContact NH1-OE2 3.75Å; R7-E163 PolarHBondContact NH1-OE2 3.45Å; R7-E163 IonicContact NH2-OE1 3.03Å; R7-E163 PolarHBondContact NH2-OE1 3.02Å; R7-E163 IonicContact NH2-OE2 2.82Å; R7-E163 PolarHBondContact NH2-OE2 3.02Å
8C54.1Low51.1Low116 Ų11697.6 Ų97.678%0.78454%0.536SS*.PPolyproline II helixtrans-71.9122.8171.2-66.30000108.9R6 K10R6-C8 PolarHBondContact O-N 3.07Å; C8-K10 PolarHBondContact O-N 3.41Å
9S57.2Low52.7Low17 Ų1792.5 Ų92.512%0.11951%0.508CS..PPolyproline II helixtrans-58.8135.5177.2156.10000111R7 L11 I12 E159R7-S9 PolarHBondContact O-N 2.98Å; S9-L11 PolarHBondContact OG-N 2.86Å; S9-I12 WeakPolarHBondContact OG-CG1 3.38Å; S9-I12 PolarHBondContact OG-N 3.49Å; S9-E159 VanDerWaalsContact CA-OE2 3.27Å; S9-E159 WeakPolarHBondContact CA-OE2 3.37Å; S9-E159 WeakPolarHBondContact CB-OE1 3.41Å; S9-E159 WeakPolarHBondContact CB-OE2 3.38Å; S9-E159 VanDerWaalsContact OG-CD 3.27Å; S9-E159 PolarHBondContact OG-OE1 2.93Å; S9-E159 PolarHBondContact OG-OE2 3.48Å
10K61.8Low54.2Low136 Ų13688.7 Ų88.759%0.59149%0.487SS*.SBendtrans-80.7-21.1178.2-63.4174.6-170.11560111.7C8 E163C8-K10 PolarHBondContact O-N 3.41Å; K10-E163 IonicContact NZ-OE1 3.99Å; K10-E163 PolarHBondContact NZ-OE1 3.14Å
11L61Low55.1Low38 Ų3887.6 Ų87.620%0.19948%0.478CS..SBendtrans-87.7-28.2-176.8-63.4174.9000113.3S9 N13 S14 S15 I105 A109 E159S9-L11 PolarHBondContact OG-N 2.86Å; L11-N13 VanDerWaalsContact C-N 3.31Å; L11-N13 PolarHBondContact O-N 3.41Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 2.83Å; L11-S14 PolarHBondContact O-OG 2.69Å; L11-S15 PolarHBondContact O-N 3.4Å; L11-I105 HydrophobicContact CD1-CG2 3.71Å; L11-A109 HydrophobicContact CB-CB 3.83Å; L11-E159 WeakPolarHBondContact CB-OE1 3.22Å; L11-E159 HydrophobicContact CD1-CG 4.08Å; L11-E159 WeakPolarHBondContact CG-OE1 3.25Å; L11-E159 PolarHBondContact N-OE1 3.1Å
12I57.7Low56.8Low27 Ų2776.8 Ų76.814%0.13842%0.424CS..G310 helixtrans-53.4-47.2-179.7-72.4170.6000112S9 S14 S15 L112 R113 L155S9-I12 WeakPolarHBondContact OG-CG1 3.38Å; S9-I12 PolarHBondContact OG-N 3.49Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 3Å; I12-S15 PolarHBondContact O-OG 3.36Å; I12-L112 HydrophobicContact CD1-CD2 3.59Å; I12-L112 HydrophobicContact CD1-CG 4.22Å; I12-L112 HydrophobicContact CG1-CD2 4.33Å; I12-R113 HydrophobicContact CG2-CB 4.31Å; I12-L155 HydrophobicContact CD1-CD2 4.04Å; I12-L155 HydrophobicContact CG1-CD2 3.81Å
13N54.3Low58.4Low147 Ų14774.3 Ų74.379%0.78640%0.395SS*.G310 helixtrans-81.3-9.1-177.9-67.5-25.5000113.7L11L11-N13 VanDerWaalsContact C-N 3.31Å; L11-N13 PolarHBondContact O-N 3.41Å
14S53.4Low60.1Low71 Ų7175.2 Ų75.250%0.49738%0.381SS..G310 helixtrans-84-24.217875.60000112.7L11 I12L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 2.83Å; L11-S14 PolarHBondContact O-OG 2.69Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 3Å
15S54.2Low61.8Low9 Ų969.1 Ų69.16%0.06336%0.36CS..  trans-70.5131.5171.1730000109.2L11 I12 R113L11-S15 PolarHBondContact O-N 3.4Å; I12-S15 PolarHBondContact O-OG 3.36Å; S15-R113 VanDerWaalsContact C-NH1 3.29Å; S15-R113 PolarHBondContact O-NH1 2.68Å; S15-R113 VanDerWaalsContact OG-CD 3.31Å; S15-R113 WeakPolarHBondContact OG-CD 3.48Å; S15-R113 PolarHBondContact OG-NH1 3.16Å
16Q62.3Low63.1Low113 Ų11364.6 Ų64.653%0.52833%0.327SS..  trans-95.8-32.4168.8-71.8-171.22.200111.5A69 S70 R113 Q224Q16-A69 PolarHBondContact NE2-O 3.07Å; Q16-S70 VanDerWaalsContact CD-CB 3.45Å; Q16-R113 PolarHBondContact O-NH1 2.87Å; Q16-R113 PolarHBondContact O-NH2 3.04Å; Q16-Q224 PolarHBondContact O-NE2 2.99Å
17L70.3Confident63.3Low48 Ų4859.5 Ų59.525%0.25131%0.313SS..SBendtrans-84.9150.7178-59.2178.1000112.7E21 S71 R113L17-E21 HydrophobicContact CB-CB 4.45Å; L17-E21 WeakPolarHBondContact CD2-OE2 3.28Å; L17-S71 WeakPolarHBondContact CD1-OG 3.01Å; L17-S71 VanDerWaalsContact CG-OG 3.29Å; L17-S71 WeakPolarHBondContact CG-OG 3.39Å; L17-R113 PolarHBondContact O-NH1 3.36Å
18L80.8Confident63.4Low0 Ų057.4 Ų57.40%031%0.311CS..  trans-80.8162.3167.8-63.4179.2000111.4Q20 E21 Y22 R113 I117 Q224 L226 F231L18-Q20 VanDerWaalsContact C-N 3.26Å; L18-Q20 PolarHBondContact O-N 3.45Å; L18-E21 PolarHBondContact O-N 3.34Å; L18-Y22 PolarHBondContact O-N 2.96Å; L18-R113 HydrophobicContact CD2-CG 4.17Å; L18-I117 HydrophobicContact CD1-CD1 3.88Å; L18-I117 HydrophobicContact CD2-CD1 3.42Å; L18-I117 VanDerWaalsContact CD2-CD1 3.42Å; L18-I117 HydrophobicContact CG-CD1 4.31Å; L18-Q224 HydrophobicContact CD1-CB 4.01Å; L18-Q224 HydrophobicContact CD1-CG 3.95Å; L18-Q224 HydrophobicContact CG-CG 4.27Å; L18-L226 HydrophobicContact CB-CD1 4.01Å; L18-L226 HydrophobicContact CD1-CD1 3.65Å; L18-L226 HydrophobicContact CG-CD1 4.46Å; L18-F231 HydrophobicContact CD1-CE1 4.15Å; L18-F231 HydrophobicContact CD1-CZ 3.89Å
19Y81.2Confident63.7Low1 Ų158.2 Ų58.20%0.00430%0.302CS..Hα-helixtrans-61.2-35-172.9-178.8-103.6000113Y22 S23 S107 Y111 S114 L234 R241Y19-Y22 PolarHBondContact O-N 3.03Å; Y19-S23 WeakPolarHBondContact O-CB 3.44Å; Y19-S23 PolarHBondContact O-N 3.18Å; Y19-S107 WeakPolarHBondContact CD2-O 3.39Å; Y19-Y111 HydrophobicContact CD1-CD2 4.1Å; Y19-Y111 HydrophobicContact CE1-CD2 4.3Å; Y19-Y111 HydrophobicContact CG-CD2 4.26Å; Y19-S114 VanDerWaalsContact CB-OG 3.32Å; Y19-S114 WeakPolarHBondContact CB-OG 3.3Å; Y19-S114 PolarHBondContact N-OG 2.88Å; Y19-L234 HydrophobicContact CD1-CD2 3.67Å; Y19-L234 HydrophobicContact CE1-CD2 4.35Å; Y19-R241 WeakPolarHBondContact OH-CB 3.49Å
20Q84.2Confident63.5Low16 Ų1660.8 Ų60.88%0.07531%0.312CS..Hα-helixtrans-57.8-51176.7-65.687.7-2700110.7L18 S23 D24 L226 S230 F231 L234L18-Q20 VanDerWaalsContact C-N 3.26Å; L18-Q20 PolarHBondContact O-N 3.45Å; Q20-S23 PolarHBondContact O-N 2.9Å; Q20-D24 PolarHBondContact O-N 3.11Å; Q20-D24 VanDerWaalsContact O-N 3.09Å; Q20-L226 HydrophobicContact CB-CD1 3.98Å; Q20-L226 HydrophobicContact CB-CD2 4.37Å; Q20-L226 HydrophobicContact CG-CD1 4.04Å; Q20-S230 PolarHBondContact NE2-O 3.46Å; Q20-S230 VanDerWaalsContact NE2-O 3.07Å; Q20-F231 VanDerWaalsContact NE2-CD1 3.29Å; Q20-L234 HydrophobicContact CG-CD2 3.67Å
21E71.8Confident62.7Low65 Ų6557 Ų5730%0.30430%0.298SS..Hα-helixtrans-70-40.9179.4-61.7-176.4139.600111.9L17 L18 S23 D24 V25 Q224L17-E21 HydrophobicContact CB-CB 4.45Å; L17-E21 WeakPolarHBondContact CD2-OE2 3.28Å; L18-E21 PolarHBondContact O-N 3.34Å; E21-S23 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 3.44Å; E21-D24 PolarHBondContact O-N 3.04Å; E21-V25 VanDerWaalsContact O-CG2 3.3Å; E21-V25 WeakPolarHBondContact O-CG2 3.43Å; E21-V25 PolarHBondContact O-N 3.44Å; E21-Q224 PolarHBondContact OE2-OE1 3.48Å
22Y67.1Low61.9Low24 Ų2459.9 Ų59.99%0.09431%0.31CS..Hα-helixtrans-57.5-48.1174.5174.7-89.8000111.2L18 Y19 D24 V25 V26 E103 V106 S107L18-Y22 PolarHBondContact O-N 2.96Å; Y19-Y22 PolarHBondContact O-N 3.03Å; Y22-D24 PolarHBondContact O-N 3.2Å; Y22-V25 PolarHBondContact O-N 3.42Å; Y22-V26 HydrophobicContact CD1-CG2 4.31Å; Y22-V26 HydrophobicContact CE1-CG2 3.86Å; Y22-V26 HydrophobicContact CE2-CG2 4.12Å; Y22-V26 WeakPolarHBondContact O-CG2 3.33Å; Y22-V26 PolarHBondContact O-N 3.3Å; Y22-E103 WeakPolarHBondContact OH-CG 3.43Å; Y22-V106 HydrophobicContact CE2-CG1 4.36Å; Y22-S107 VanDerWaalsContact CE1-CB 3.45Å
23S62.9Low61.4Low20 Ų2060.6 Ų60.614%0.1432%0.317CS..Hα-helixtrans-60.7-45.4179.9-176.30000111.1Y19 Q20 E21 V25 V26 L27Y19-S23 WeakPolarHBondContact O-CB 3.44Å; Y19-S23 PolarHBondContact O-N 3.18Å; Q20-S23 PolarHBondContact O-N 2.9Å; E21-S23 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 3.44Å; S23-V25 PolarHBondContact O-N 3.43Å; S23-V26 PolarHBondContact O-N 3.29Å; S23-L27 VanDerWaalsContact O-CB 3.25Å; S23-L27 WeakPolarHBondContact O-CB 3.23Å; S23-L27 PolarHBondContact O-N 3.35Å
24D60.3Low60.6Low97 Ų9758.1 Ų58.152%0.51930%0.301SS..Hα-helixtrans-62.6-42.1178-76.2-14.8000112.4Q20 E21 Y22 L27 N28Q20-D24 PolarHBondContact O-N 3.11Å; Q20-D24 VanDerWaalsContact O-N 3.09Å; E21-D24 PolarHBondContact O-N 3.04Å; Y22-D24 PolarHBondContact O-N 3.2Å; D24-L27 PolarHBondContact O-N 2.89Å; D24-N28 WeakPolarHBondContact O-CB 3.43Å; D24-N28 VanDerWaalsContact O-CG 3.27Å; D24-N28 PolarHBondContact O-N 3.3Å; D24-N28 PolarHBondContact O-ND2 3.48Å
25V64.5Low60.1Low68 Ų6859.9 Ų59.941%0.41230%0.302SS..Hα-helixtrans-63-45.6177.6170.40000111.1E21 Y22 S23 N28 K29E21-V25 VanDerWaalsContact O-CG2 3.3Å; E21-V25 WeakPolarHBondContact O-CG2 3.43Å; E21-V25 PolarHBondContact O-N 3.44Å; Y22-V25 PolarHBondContact O-N 3.42Å; S23-V25 PolarHBondContact O-N 3.43Å; V25-N28 PolarHBondContact O-N 2.86Å; V25-K29 WeakPolarHBondContact O-CG 3.46Å; V25-K29 PolarHBondContact O-N 2.9Å
26V63.2Low59.6Low27 Ų2767 Ų6716%0.16433%0.327CS..Hα-helixtrans-69.5-40.9-179.8-177.90000111.2Y22 S23 N28 K29 E30 E103Y22-V26 HydrophobicContact CD1-CG2 4.31Å; Y22-V26 HydrophobicContact CE1-CG2 3.86Å; Y22-V26 HydrophobicContact CE2-CG2 4.12Å; Y22-V26 WeakPolarHBondContact O-CG2 3.33Å; Y22-V26 PolarHBondContact O-N 3.3Å; S23-V26 PolarHBondContact O-N 3.29Å; V26-N28 VanDerWaalsContact C-N 3.33Å; V26-N28 PolarHBondContact O-N 2.73Å; V26-K29 PolarHBondContact O-N 3.11Å; V26-E30 PolarHBondContact O-N 3.42Å; V26-E103 WeakPolarHBondContact CG1-OE1 3.31Å
27L55.3Low58.6Low80 Ų8067.9 Ų67.942%0.41933%0.334SS..Hα-helixtrans-59.3-44.5176.1-162.293.7000111.2S23 D24 K29 E30 I31S23-L27 VanDerWaalsContact O-CB 3.25Å; S23-L27 WeakPolarHBondContact O-CB 3.23Å; S23-L27 PolarHBondContact O-N 3.35Å; D24-L27 PolarHBondContact O-N 2.89Å; L27-K29 PolarHBondContact O-N 3.29Å; L27-E30 PolarHBondContact O-N 3.39Å; L27-I31 HydrophobicContact CD2-CD1 4.19Å; L27-I31 HydrophobicContact CG-CD1 4.26Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.49Å; L27-I31 PolarHBondContact O-N 3.13Å
28N54.6Low56.9Low85 Ų8570.9 Ų70.946%0.45535%0.347SS..Hα-helixtrans-65.2-37.5177-76-46.8000112.6D24 V25 V26 Q32D24-N28 WeakPolarHBondContact O-CB 3.43Å; D24-N28 VanDerWaalsContact O-CG 3.27Å; D24-N28 PolarHBondContact O-N 3.3Å; D24-N28 PolarHBondContact O-ND2 3.48Å; V25-N28 PolarHBondContact O-N 2.86Å; V26-N28 VanDerWaalsContact C-N 3.33Å; V26-N28 PolarHBondContact O-N 2.73Å; N28-Q32 WeakPolarHBondContact O-CB 3.38Å; N28-Q32 VanDerWaalsContact O-CG 3.25Å; N28-Q32 WeakPolarHBondContact O-CG 3.27Å; N28-Q32 PolarHBondContact O-N 2.75Å
29K59.5Low54.9Low134 Ų13474.4 Ų74.458%0.58337%0.372SS*.Hα-helixtrans-63.9-42.6173.4-77.8179.2179.8178.40112V25 V26 L27 Q32 S33V25-K29 WeakPolarHBondContact O-CG 3.46Å; V25-K29 PolarHBondContact O-N 2.9Å; V26-K29 PolarHBondContact O-N 3.11Å; L27-K29 PolarHBondContact O-N 3.29Å; K29-Q32 PolarHBondContact O-N 3.25Å; K29-S33 WeakPolarHBondContact O-CB 3.21Å; K29-S33 PolarHBondContact O-N 2.88Å
30E53.4Low52.9Low71 Ų7181.4 Ų81.433%0.33241%0.409SS..Hα-helixtrans-61.8-49176.9-176.661.8-151.600110.5V26 L27 Q32 S33 Q34V26-E30 PolarHBondContact O-N 3.42Å; L27-E30 PolarHBondContact O-N 3.39Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 2.99Å; E30-S33 WeakPolarHBondContact O-CB 3.4Å; E30-S33 PolarHBondContact O-N 3.32Å; E30-S33 PolarHBondContact O-OG 3.41Å; E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.17Å; E30-Q34 PolarHBondContact OE1-NE2 3.28Å
31I43.8Very low50.7Low56 Ų5685 Ų8529%0.28744%0.435SS..Hα-helixtrans-56.1-45.5175.8-67163000111.3L27 S33 Q34 Q35L27-I31 HydrophobicContact CD2-CD1 4.19Å; L27-I31 HydrophobicContact CG-CD1 4.26Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.49Å; L27-I31 PolarHBondContact O-N 3.13Å; I31-S33 VanDerWaalsContact C-N 3.3Å; I31-S33 PolarHBondContact O-N 3.49Å; I31-Q34 PolarHBondContact O-N 2.99Å; I31-Q35 WeakPolarHBondContact O-CG 3.48Å; I31-Q35 PolarHBondContact O-N 3.37Å
32Q44.4Very low48.9Very low99 Ų9989.7 Ų89.746%0.46346%0.457SS..Hα-helixtrans-67.1-28177.4-73.2174.29.600113.7N28 K29 E30 R36N28-Q32 WeakPolarHBondContact O-CB 3.38Å; N28-Q32 VanDerWaalsContact O-CG 3.25Å; N28-Q32 WeakPolarHBondContact O-CG 3.27Å; N28-Q32 PolarHBondContact O-N 2.75Å; K29-Q32 PolarHBondContact O-N 3.25Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 2.99Å; Q32-R36 PolarHBondContact O-N 3.47Å
33S48.1Very low47.2Very low42 Ų4294.7 Ų94.729%0.29449%0.491SS..Hα-helixtrans-74.2-40.6176.1800000111.4K29 E30 I31 R36 L37K29-S33 WeakPolarHBondContact O-CB 3.21Å; K29-S33 PolarHBondContact O-N 2.88Å; E30-S33 WeakPolarHBondContact O-CB 3.4Å; E30-S33 PolarHBondContact O-N 3.32Å; E30-S33 PolarHBondContact O-OG 3.41Å; I31-S33 VanDerWaalsContact C-N 3.3Å; I31-S33 PolarHBondContact O-N 3.49Å; S33-R36 WeakPolarHBondContact O-CB 3.45Å; S33-R36 PolarHBondContact O-N 2.99Å; S33-L37 WeakPolarHBondContact O-CD1 3.48Å; S33-L37 PolarHBondContact O-N 3.43Å
34Q38.3Very low45.7Very low95 Ų95100 Ų10044%0.44453%0.525SS..Hα-helixtrans-66.1-44.4176.1-68.3-179.89.100111.5E30 I31 R36 L37 E38E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.17Å; E30-Q34 PolarHBondContact OE1-NE2 3.28Å; I31-Q34 PolarHBondContact O-N 2.99Å; Q34-R36 VanDerWaalsContact C-N 3.25Å; Q34-R36 PolarHBondContact O-N 3.25Å; Q34-L37 PolarHBondContact O-N 3.37Å; Q34-L37 VanDerWaalsContact O-N 3.13Å; Q34-E38 PolarHBondContact O-N 3.23Å
35Q42.2Very low44.5Very low108 Ų10898 Ų9851%0.50553%0.527SS..Hα-helixtrans-60.9-32.6173.3-72.6176.5-19.300112.9I31 E38 S39I31-Q35 WeakPolarHBondContact O-CG 3.48Å; I31-Q35 PolarHBondContact O-N 3.37Å; Q35-E38 PolarHBondContact O-N 3.39Å; Q35-S39 PolarHBondContact O-N 2.88Å
36R43.9Very low43Very low159 Ų159101.7 Ų101.760%0.655%0.553SS**Hα-helixtrans-70.5-39.2174.4-100.8-175.6-78.3-161.6-4.9112.5Q32 S33 Q34 E38 S39 L40Q32-R36 PolarHBondContact O-N 3.47Å; S33-R36 WeakPolarHBondContact O-CB 3.45Å; S33-R36 PolarHBondContact O-N 2.99Å; Q34-R36 VanDerWaalsContact C-N 3.25Å; Q34-R36 PolarHBondContact O-N 3.25Å; R36-E38 VanDerWaalsContact C-N 3.32Å; R36-S39 WeakPolarHBondContact CA-OG 3.17Å; R36-S39 PolarHBondContact O-N 2.77Å; R36-S39 PolarHBondContact O-OG 3.23Å; R36-L40 WeakPolarHBondContact O-CD1 3.49Å; R36-L40 WeakPolarHBondContact O-CG 3.21Å; R36-L40 PolarHBondContact O-N 3.49Å
37L40Very low41.6Very low130 Ų130106 Ų10668%0.68158%0.583SS**Hα-helixtrans-62.9-39.5172-97.899.3000111.7S33 Q34 L40S33-L37 WeakPolarHBondContact O-CD1 3.48Å; S33-L37 PolarHBondContact O-N 3.43Å; Q34-L37 PolarHBondContact O-N 3.37Å; Q34-L37 VanDerWaalsContact O-N 3.13Å; L37-L40 PolarHBondContact O-N 3.41Å
38E34.8Very low40.3Very low111 Ų111107.5 Ų107.552%0.51960%0.601SS.*Hα-helixtrans-62.3-43.7174.2-71.8173.5167.100111.4Q34 Q35 R36 L40 S41Q34-E38 PolarHBondContact O-N 3.23Å; Q35-E38 PolarHBondContact O-N 3.39Å; R36-E38 VanDerWaalsContact C-N 3.32Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 3.28Å; E38-S41 PolarHBondContact O-N 2.82Å; E38-S41 VanDerWaalsContact O-N 3.11Å; E38-S41 PolarHBondContact O-OG 3.15Å
39S38.7Very low39.3Very low74 Ų74109.4 Ų109.452%0.51762%0.618SS.*Hα-helixtrans-67.4-22.9179700000115Q35 R36 S41Q35-S39 PolarHBondContact O-N 2.88Å; R36-S39 WeakPolarHBondContact CA-OG 3.17Å; R36-S39 PolarHBondContact O-N 2.77Å; R36-S39 PolarHBondContact O-OG 3.23Å; S39-S41 VanDerWaalsContact C-N 3.3Å
40L40.3Very low38Very low149 Ų149114.8 Ų114.878%0.7864%0.635SS**THydrogen-bonded Turntrans-84.2-6.5176.3-75.1161.1000112.8R36 L37 E38R36-L40 WeakPolarHBondContact O-CD1 3.49Å; R36-L40 WeakPolarHBondContact O-CG 3.21Å; R36-L40 PolarHBondContact O-N 3.49Å; L37-L40 PolarHBondContact O-N 3.41Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 3.28Å
41S38Very low36.9Very low91 Ų91120.1 Ų120.164%0.63666%0.659SS**SBendtrans-99.1-5.4180720000113.9E38 S39 T43E38-S41 PolarHBondContact O-N 2.82Å; E38-S41 VanDerWaalsContact O-N 3.11Å; E38-S41 PolarHBondContact O-OG 3.15Å; S39-S41 VanDerWaalsContact C-N 3.3Å; S41-T43 PolarHBondContact O-N 2.95Å
42E32.8Very low36.2Very low163 Ų163123.6 Ų123.676%0.76269%0.686SS**SBendtrans-77.4109.9166.4-71.5-163.5159.400109.6
43T31.3Very low35.4Very low130 Ų130130.8 Ų130.880%0.79871%0.708SS**  trans-51.6127.4171.544.30000110.7S41 G45S41-T43 PolarHBondContact O-N 2.95Å; T43-G45 PolarHBondContact O-N 3.47Å
44P33.1Very low34.6Very low131 Ų131138.6 Ų138.685%0.85174%0.737SS**  trans-72.8114.7174.726.9-28.9000109.3
45G33.5Very low34.2Very low56 Ų56138.4 Ų138.458%0.57775%0.752SS**  trans-63.8159.7165.500000111.5T43 S47T43-G45 PolarHBondContact O-N 3.47Å; G45-S47 PolarHBondContact O-N 3.03Å; G45-S47 VanDerWaalsContact O-N 3.13Å
46P34Very low33.5Very low145 Ų145141.5 Ų141.594%0.94277%0.771SS**  trans-77.2108.5-171.631-31000109.7
47S32.5Very low32.8Very low116 Ų116140.1 Ų140.181%0.81178%0.78SS**  trans-122.4127.4167.861.90000111.9G45G45-S47 PolarHBondContact O-N 3.03Å; G45-S47 VanDerWaalsContact O-N 3.13Å
48S29.5Very low32.2Very low113 Ų113139 Ų13979%0.7978%0.783SS**  trans-46.6155.5-178.7-140.40000115.8R50S48-R50 PolarHBondContact O-N 3.31Å
49P33.1Very low32.3Very low124 Ų124139.3 Ų139.381%0.80580%0.797SS**  trans-76.7126.1-17230.9-30.3000111.4
50R32.3Very low31.8Very low248 Ų248144.3 Ų144.394%0.93681%0.812SS**  trans-126.1135162.5-77.2-172.8175.7-174.7-0.2110.4S48S48-R50 PolarHBondContact O-N 3.31Å
51Q29.9Very low31.3Very low182 Ų182140.3 Ų140.385%0.8580%0.797SS**PPolyproline II helixtrans-57.5155.4-168.3-68.9176.7-21.800115R53Q51-R53 PolarHBondContact O-N 2.92Å
52P29.9Very low31.1Very low129 Ų129144.5 Ų144.584%0.83880%0.8SS**PPolyproline II helixtrans-76122.6-178.730.2-31.7000111.4
53R27.9Very low30.9Very low250 Ų250143 Ų14394%0.94380%0.797SS**PPolyproline II helixtrans-83.1118163.4-91-177.4167.5162.8-3.5109.2Q51 A55Q51-R53 PolarHBondContact O-N 2.92Å; R53-A55 PolarHBondContact O-N 3.15Å
54K31.4Very low30.8Very low207 Ų207144.4 Ų144.490%0.979%0.794SS**PPolyproline II helixtrans-60118.3167.4-72.2177175.1178.20109.4
55A28Very low30.8Very low91 Ų91147 Ų14775%0.75279%0.787SS**PPolyproline II helixtrans-93126.3160.900000108.2R53 V57R53-A55 PolarHBondContact O-N 3.15Å; A55-V57 PolarHBondContact O-N 3.25Å
56L27.6Very low30.6Very low173 Ų173150 Ų15091%0.90679%0.789SS**PPolyproline II helixtrans-65.1126.2178.4-83.493.9000110.3S58L56-S58 PolarHBondContact O-N 2.96Å
57V30.5Very low30.3Very low130 Ų130148.4 Ų148.479%0.78878%0.781SS**  trans-77.5111.3167.4-178.60000107.1A55A55-V57 PolarHBondContact O-N 3.25Å
58S28Very low30.3Very low107 Ų107149.5 Ų149.575%0.74878%0.775SS**  trans-81.6117.2166.3-172.20000108.7L56 E60L56-S58 PolarHBondContact O-N 2.96Å; S58-E60 PolarHBondContact O-N 2.95Å
59S37Very low30.6Very low116 Ų116148.4 Ų148.481%0.81177%0.773SS**  trans-74.681.5179.2-64.80000111.5
60E26.7Very low30.8Very low179 Ų179144.2 Ų144.284%0.83675%0.747SS**  trans-114.3135.1157.4-79.9-173.216500110.6S58S58-E60 PolarHBondContact O-N 2.95Å
61S30.1Very low31.4Very low65 Ų65134 Ų13446%0.45571%0.713SS.*  trans-68.5137.4-146.377.40000115.1L63 Q64S61-L63 PolarHBondContact O-N 3.43Å; S61-Q64 PolarHBondContact O-N 2.7Å
62Y33.5Very low32.3Very low180 Ų180128.1 Ų128.171%0.70670%0.702SS**THydrogen-bonded Turntrans-56.3-17.2168.7-165.2-99.4000112.9
63L29.6Very low33.9Very low131 Ų131125.2 Ų125.269%0.68669%0.685SS**THydrogen-bonded Turntrans-82.9-19.4-177.5-62179.3000113.9S61 R65 L66S61-L63 PolarHBondContact O-N 3.43Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-L66 HydrophobicContact CD2-CD1 3.96Å; L63-L66 PolarHBondContact O-N 3.26Å
64Q28.4Very low36.3Very low160 Ų160117.2 Ų117.275%0.74866%0.66SS**G310 helixtrans-75.2-23.4173.3-144.4104.38.900112.3S61 L66S61-Q64 PolarHBondContact O-N 2.7Å; Q64-L66 PolarHBondContact O-N 3.43Å
65R34Very low38.8Very low186 Ų186107.4 Ų107.470%0.70262%0.617SS**G310 helixtrans-73.9-14173.9-102.7-173.1-71.1-144.9-4.3113.5L63L63-R65 VanDerWaalsContact C-N 3.32Å
66L29.7Very low41.4Very low118 Ų118105.8 Ų105.862%0.61859%0.594SS**G310 helixtrans-91.33.8179.4-69.8165.7000113.4L63 Q64 M68L63-L66 HydrophobicContact CD2-CD1 3.96Å; L63-L66 PolarHBondContact O-N 3.26Å; Q64-L66 PolarHBondContact O-N 3.43Å; L66-M68 PolarHBondContact O-N 2.82Å
67S26.5Very low43.9Very low111 Ų111102.4 Ų102.478%0.77657%0.574SS**G310 helixtrans-79.71.3167.4-171.80000113.2
68M32.1Very low46.2Very low139 Ų13997.6 Ų97.669%0.68554%0.544SS*.  trans-108.947.5-179.9-63.8-170.369.300112.3L66 S70L66-M68 PolarHBondContact O-N 2.82Å; M68-S70 PolarHBondContact O-N 3.12Å
69A36.2Very low48.6Very low91 Ų9197 Ų9775%0.75254%0.537SS*.  trans-7081.9168.200000109Q16Q16-A69 PolarHBondContact NE2-O 3.07Å
70S38.3Very low50.6Low36 Ų3696 Ų9625%0.25253%0.526SS..SBendtrans-148.9113.7-176.263.70000110.2Q16 M68 G72Q16-S70 VanDerWaalsContact CD-CB 3.45Å; M68-S70 PolarHBondContact O-N 3.12Å; S70-G72 PolarHBondContact O-N 3.33Å
71S43.7Very low53.1Low33 Ų3387.5 Ų87.523%0.23149%0.486CS..SBendtrans66.923.6161.2650000120.9L17L17-S71 WeakPolarHBondContact CD1-OG 3.01Å; L17-S71 VanDerWaalsContact CG-OG 3.29Å; L17-S71 WeakPolarHBondContact CG-OG 3.39Å
72G50.2Low55.6Low59 Ų5992.7 Ų92.761%0.60850%0.496SS*.  trans-150.832.4-175.100000117S70 L74S70-G72 PolarHBondContact O-N 3.33Å; G72-L74 PolarHBondContact O-N 3.34Å
73S63.5Low57.8Low68 Ų6890.6 Ų90.648%0.47650%0.497SS..  trans-69115.8175.459.50000109.9E77 F102S73-E77 WeakPolarHBondContact CA-OE2 3.28Å; S73-F102 WeakPolarHBondContact O-CE1 3.32Å
74L76.9Confident60.5Low82 Ų8285.1 Ų85.143%0.42947%0.47SS..  trans-60.2151.1165.1-68171.9000109.2G72 Q76 E77 E99G72-L74 PolarHBondContact O-N 3.34Å; L74-Q76 PolarHBondContact O-N 3.04Å; L74-E77 HydrophobicContact CB-CB 4.33Å; L74-E77 HydrophobicContact CB-CG 3.95Å; L74-E77 PolarHBondContact N-OE2 2.68Å; L74-E77 WeakPolarHBondContact O-CB 3.47Å; L74-E77 PolarHBondContact O-N 2.94Å; L74-E99 WeakPolarHBondContact CB-OE1 3.48Å
75W84.9Confident63.1Low0 Ų083 Ų830%047%0.468CS..G310 helixtrans-52.4-39.1171.417081.7000110.8E77 I78 V81 L87 M90 Q98 E99 F102 F162 I166 F167 F169W75-E77 VanDerWaalsContact C-N 3.25Å; W75-E77 PolarHBondContact O-N 3.38Å; W75-I78 WeakPolarHBondContact O-CB 3.32Å; W75-I78 VanDerWaalsContact O-CG1 3.28Å; W75-I78 WeakPolarHBondContact O-CG1 3.2Å; W75-I78 PolarHBondContact O-N 3.34Å; W75-V81 HydrophobicContact CD2-CG1 3.99Å; W75-V81 HydrophobicContact CE3-CG1 4.03Å; W75-V81 HydrophobicContact CH2-CG1 3.64Å; W75-V81 HydrophobicContact CZ2-CG1 3.59Å; W75-V81 HydrophobicContact CZ2-CG2 4.2Å; W75-V81 HydrophobicContact CZ3-CG1 3.88Å; W75-L87 HydrophobicContact CH2-CD1 4.09Å; W75-L87 HydrophobicContact CZ3-CD1 3.62Å; W75-M90 HydrophobicContact CH2-CE 4.24Å; W75-M90 HydrophobicContact CH2-SD 3.65Å; W75-M90 HydrophobicContact CZ3-SD 4.28Å; W75-Q98 HydrophobicContact CD2-CB 3.71Å; W75-Q98 HydrophobicContact CD2-CG 4.5Å; W75-Q98 HydrophobicContact CE3-CB 3.69Å; W75-Q98 HydrophobicContact CE3-CG 4.44Å; W75-Q98 HydrophobicContact CG-CB 4.28Å; W75-Q98 HydrophobicContact CH2-CB 4.25Å; W75-Q98 HydrophobicContact CH2-CG 4.12Å; W75-Q98 HydrophobicContact CZ2-CB 4.25Å; W75-Q98 HydrophobicContact CZ2-CG 4.15Å; W75-Q98 HydrophobicContact CZ3-CB 3.96Å; W75-Q98 HydrophobicContact CZ3-CG 4.25Å; W75-E99 WeakPolarHBondContact CB-OE1 3.48Å; W75-E99 WeakPolarHBondContact CB-OE2 3.38Å; W75-E99 VanDerWaalsContact N-CD 3.26Å; W75-E99 PolarHBondContact N-OE1 3.44Å; W75-E99 PolarHBondContact N-OE2 3.21Å; W75-F102 HydrophobicContact CB-CB 3.8Å; W75-F102 HydrophobicContact CB-CD1 3.85Å; W75-F102 HydrophobicContact CB-CG 3.86Å; W75-F102 HydrophobicContact CG-CB 4.38Å; W75-F162 AromaticContact CD1-CE2 3.9Å; W75-I166 PolarHBondContact NE1-O 3.17Å; W75-F167 HydrophobicContact CH2-CD1 4.19Å; W75-F167 AromaticContact CZ2-CD1 3.79Å; W75-F167 HydrophobicContact CZ2-CD1 3.79Å; W75-F167 HydrophobicContact CZ2-CE1 4.33Å; W75-F169 AromaticContact NE1-CE1 3.85Å
76Q81.8Confident65.4Low57 Ų5776.8 Ų76.827%0.26645%0.45SS..G310 helixtrans-64.4-23.8175.4-66.7-177.3-400114.8L74 I78 R82 L87 Q95 E99L74-Q76 PolarHBondContact O-N 3.04Å; Q76-I78 VanDerWaalsContact C-N 3.32Å; Q76-R82 WeakPolarHBondContact O-CA 3.25Å; Q76-R82 WeakPolarHBondContact O-CB 3.39Å; Q76-L87 HydrophobicContact CB-CD2 4.49Å; Q76-L87 HydrophobicContact CG-CD1 3.81Å; Q76-Q95 VanDerWaalsContact NE2-CD 3.32Å; Q76-E99 VanDerWaalsContact CG-OE1 3.28Å; Q76-E99 WeakPolarHBondContact CG-OE1 3.49Å; Q76-E99 PolarHBondContact N-OE1 3.04Å
77E80.1Confident67.9Low103 Ų10372.1 Ų72.148%0.48143%0.426SS..G310 helixtrans-84.3-10.3-179-71.7174.8173.300112.7S73 L74 W75S73-E77 WeakPolarHBondContact CA-OE2 3.28Å; L74-E77 HydrophobicContact CB-CB 4.33Å; L74-E77 HydrophobicContact CB-CG 3.95Å; L74-E77 PolarHBondContact N-OE2 2.68Å; L74-E77 WeakPolarHBondContact O-CB 3.47Å; L74-E77 PolarHBondContact O-N 2.94Å; W75-E77 VanDerWaalsContact C-N 3.25Å; W75-E77 PolarHBondContact O-N 3.38Å
78I79.7Confident70.5Confident29 Ų2974 Ų7415%0.14943%0.427CS..SBendtrans-59.5126.6175.5-61.4175.7000108.5W75 Q76 V80 V81 R82 F102 F162W75-I78 WeakPolarHBondContact O-CB 3.32Å; W75-I78 VanDerWaalsContact O-CG1 3.28Å; W75-I78 WeakPolarHBondContact O-CG1 3.2Å; W75-I78 PolarHBondContact O-N 3.34Å; Q76-I78 VanDerWaalsContact C-N 3.32Å; I78-V80 PolarHBondContact O-N 2.82Å; I78-V81 HydrophobicContact CB-CB 4.12Å; I78-V81 HydrophobicContact CB-CG2 3.89Å; I78-V81 HydrophobicContact CG2-CG2 4.11Å; I78-V81 WeakPolarHBondContact O-CA 3.31Å; I78-V81 PolarHBondContact O-N 2.94Å; I78-R82 WeakPolarHBondContact O-CB 3.49Å; I78-R82 PolarHBondContact O-N 2.96Å; I78-F102 HydrophobicContact CD1-CD2 4.45Å; I78-F102 HydrophobicContact CD1-CE1 4.2Å; I78-F102 HydrophobicContact CD1-CE2 3.83Å; I78-F102 HydrophobicContact CD1-CZ 3.69Å; I78-F102 HydrophobicContact CG1-CZ 4.44Å; I78-F162 HydrophobicContact CD1-CE1 4.42Å; I78-F162 HydrophobicContact CD1-CZ 3.65Å
79P77.2Confident73.1Confident95 Ų9571.9 Ų71.962%0.61743%0.425SS*.Hα-helixtrans-53.5-36.4-172.1-30.435.3000115N83P79-N83 PolarHBondContact O-ND2 3.16Å; P79-N83 VanDerWaalsContact O-ND2 3.12Å
80V79.1Confident75.6Confident95 Ų9569.1 Ų69.158%0.57640%0.397SS*.Hα-helixtrans-71.8-33.7178-178.30000111.8I78I78-V80 PolarHBondContact O-N 2.82Å
81V80.9Confident78Confident0 Ų071 Ų710%041%0.407CS..Hα-helixtrans-78.8-48.4179.7179.20000110.7W75 I78 N83 S84 L87 I166 F167W75-V81 HydrophobicContact CD2-CG1 3.99Å; W75-V81 HydrophobicContact CE3-CG1 4.03Å; W75-V81 HydrophobicContact CH2-CG1 3.64Å; W75-V81 HydrophobicContact CZ2-CG1 3.59Å; W75-V81 HydrophobicContact CZ2-CG2 4.2Å; W75-V81 HydrophobicContact CZ3-CG1 3.88Å; I78-V81 HydrophobicContact CB-CB 4.12Å; I78-V81 HydrophobicContact CB-CG2 3.89Å; I78-V81 HydrophobicContact CG2-CG2 4.11Å; I78-V81 WeakPolarHBondContact O-CA 3.31Å; I78-V81 PolarHBondContact O-N 2.94Å; V81-N83 PolarHBondContact O-N 3.04Å; V81-N83 VanDerWaalsContact O-N 3.16Å; V81-S84 WeakPolarHBondContact O-CB 3.34Å; V81-S84 PolarHBondContact O-N 3.47Å; V81-S84 PolarHBondContact O-OG 3.4Å; V81-L87 HydrophobicContact CG1-CB 4.45Å; V81-L87 HydrophobicContact CG1-CD1 4.36Å; V81-L87 HydrophobicContact CG1-CD2 4.28Å; V81-I166 HydrophobicContact CG2-CG2 3.34Å; V81-F167 HydrophobicContact CB-CE1 4.39Å; V81-F167 HydrophobicContact CG1-CE1 4.17Å; V81-F167 HydrophobicContact CG2-CE1 4.22Å
82R82.1Confident80Confident173 Ų17375.3 Ų75.365%0.65342%0.423SS*.Hα-helixtrans-54-37.2-178.5-172.2177.2178.5173.61.3112.9Q76 I78Q76-R82 WeakPolarHBondContact O-CA 3.25Å; Q76-R82 WeakPolarHBondContact O-CB 3.39Å; I78-R82 WeakPolarHBondContact O-CB 3.49Å; I78-R82 PolarHBondContact O-N 2.96Å
83N80Confident81.6Confident136 Ų13679.7 Ų79.773%0.72743%0.428SS*.THydrogen-bonded Turntrans-95.36.9-177.1-62.2-29.9000113.1P79 V81P79-N83 PolarHBondContact O-ND2 3.16Å; P79-N83 VanDerWaalsContact O-ND2 3.12Å; V81-N83 PolarHBondContact O-N 3.04Å; V81-N83 VanDerWaalsContact O-N 3.16Å
84S85.3Confident82.7Confident17 Ų1779 Ų7912%0.11942%0.419CS..  trans-87.4145.1-176.875.80000112.7V81 V86 L87 F167V81-S84 WeakPolarHBondContact O-CB 3.34Å; V81-S84 PolarHBondContact O-N 3.47Å; V81-S84 PolarHBondContact O-OG 3.4Å; S84-V86 PolarHBondContact O-N 2.59Å; S84-L87 WeakPolarHBondContact OG-CB 3.29Å; S84-L87 PolarHBondContact OG-N 3.15Å; S84-L87 VanDerWaalsContact OG-N 3.1Å; S84-F167 WeakPolarHBondContact OG-CE1 3.34Å
85T82.9Confident83.2Confident115 Ų11576.8 Ų76.871%0.70641%0.406SS*.Hα-helixtrans-69.5-24.7168.551.60000112.1L88 S89T85-L88 PolarHBondContact O-N 3.09Å; T85-S89 PolarHBondContact O-N 3.41Å
86V83.3Confident83.3Confident56 Ų5681.7 Ų81.734%0.33943%0.428SS..Hα-helixtrans-61.5-48.9177.5-1780000110.2S84 L88 S89 M90 F167S84-V86 PolarHBondContact O-N 2.59Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 PolarHBondContact O-N 2.98Å; V86-S89 PolarHBondContact O-N 2.71Å; V86-S89 PolarHBondContact O-OG 2.89Å; V86-M90 HydrophobicContact CG1-CG 4.45Å; V86-M90 HydrophobicContact CG1-SD 4.34Å; V86-M90 WeakPolarHBondContact O-CG 3.07Å; V86-M90 PolarHBondContact O-N 2.93Å; V86-M90 VanDerWaalsContact O-N 3.17Å; V86-F167 HydrophobicContact CB-CD1 3.85Å; V86-F167 HydrophobicContact CB-CE1 3.97Å; V86-F167 HydrophobicContact CB-CG 4.23Å; V86-F167 HydrophobicContact CB-CZ 4.42Å; V86-F167 HydrophobicContact CG1-CB 4.04Å; V86-F167 HydrophobicContact CG1-CD1 3.64Å; V86-F167 HydrophobicContact CG1-CE1 4.28Å; V86-F167 HydrophobicContact CG1-CG 3.84Å
87L82.2Confident83.6Confident20 Ų2079.6 Ų79.611%0.10542%0.418CS..Hα-helixtrans-55.3-41.3177.417864.7000112.4W75 Q76 V81 S84 S89 M90 Q95W75-L87 HydrophobicContact CH2-CD1 4.09Å; W75-L87 HydrophobicContact CZ3-CD1 3.62Å; Q76-L87 HydrophobicContact CB-CD2 4.49Å; Q76-L87 HydrophobicContact CG-CD1 3.81Å; V81-L87 HydrophobicContact CG1-CB 4.45Å; V81-L87 HydrophobicContact CG1-CD1 4.36Å; V81-L87 HydrophobicContact CG1-CD2 4.28Å; S84-L87 WeakPolarHBondContact OG-CB 3.29Å; S84-L87 PolarHBondContact OG-N 3.15Å; S84-L87 VanDerWaalsContact OG-N 3.1Å; L87-S89 VanDerWaalsContact C-N 3.27Å; L87-S89 PolarHBondContact O-N 2.9Å; L87-M90 PolarHBondContact O-N 3.43Å; L87-Q95 HydrophobicContact CD1-CG 4.05Å; L87-Q95 PolarHBondContact O-NE2 3.36Å; L87-Q95 VanDerWaalsContact O-NE2 3.11Å
88L81.1Confident84.1Confident151 Ų15175.2 Ų75.279%0.79140%0.398SS*.Hα-helixtrans-67.4-26.5178.9-63.9173.7000113.1T85 V86T85-L88 PolarHBondContact O-N 3.09Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 PolarHBondContact O-N 2.98Å
89S86.4Confident84.5Confident93 Ų9375.4 Ų75.465%0.6540%0.398SS*.Hα-helixtrans-89.7-12.9179.867.70000114.4T85 V86 L87T85-S89 PolarHBondContact O-N 3.41Å; V86-S89 PolarHBondContact O-N 2.71Å; V86-S89 PolarHBondContact O-OG 2.89Å; L87-S89 VanDerWaalsContact C-N 3.27Å; L87-S89 PolarHBondContact O-N 2.9Å
90M87.8Confident85Confident33 Ų3371.5 Ų71.516%0.16337%0.372CS..SBendtrans-76.7146.9-178.1-73177.976.900112.4W75 V86 L87 D94 Q95 Q98W75-M90 HydrophobicContact CH2-CE 4.24Å; W75-M90 HydrophobicContact CH2-SD 3.65Å; W75-M90 HydrophobicContact CZ3-SD 4.28Å; V86-M90 HydrophobicContact CG1-CG 4.45Å; V86-M90 HydrophobicContact CG1-SD 4.34Å; V86-M90 WeakPolarHBondContact O-CG 3.07Å; V86-M90 PolarHBondContact O-N 2.93Å; V86-M90 VanDerWaalsContact O-N 3.17Å; L87-M90 PolarHBondContact O-N 3.43Å; M90-D94 HydrophobicContact CB-CB 4.48Å; M90-D94 HydrophobicContact CE-CB 3.57Å; M90-Q95 HydrophobicContact CB-CG 3.94Å; M90-Q98 HydrophobicContact CE-CG 3.71Å
91T88.8Confident85.6Confident75 Ų7567 Ų6746%0.4635%0.345SS..  trans-69157.4170750000110.4E93 D94 Q95T91-E93 PolarHBondContact O-N 3.19Å; T91-E93 PolarHBondContact OG1-N 3.48Å; T91-D94 WeakPolarHBondContact CB-OD2 3.44Å; T91-D94 WeakPolarHBondContact CG2-OD2 3.44Å; T91-D94 PolarHBondContact O-N 3.02Å; T91-D94 PolarHBondContact OG1-N 2.84Å; T91-D94 VanDerWaalsContact OG1-N 3.07Å; T91-D94 PolarHBondContact OG1-OD2 2.92Å; T91-Q95 WeakPolarHBondContact O-CB 3.37Å; T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.36Å
92H85.4Confident86.1Confident124 Ų12467.4 Ų67.457%0.57435%0.347SS*.Hα-helixtrans-63.2-26.2175-178.8-115.2000112.6K96H92-K96 WeakPolarHBondContact CE1-CE 3.38Å; H92-K96 PolarHBondContact CE1-NZ 3.46Å; H92-K96 VanDerWaalsContact CE1-NZ 3.25Å; H92-K96 WeakPolarHBondContact O-CG 3.24Å; H92-K96 PolarHBondContact O-N 3.37Å; H92-K96 VanDerWaalsContact O-N 3.17Å
93E84.4Confident86.4Confident152 Ų15261 Ų6171%0.7133%0.325SS*.Hα-helixtrans-72.7-44.9174.9-65.5-173.2164.700111.4T91 Q95 K96 L97T91-E93 PolarHBondContact O-N 3.19Å; T91-E93 PolarHBondContact OG1-N 3.48Å; E93-Q95 VanDerWaalsContact C-N 3.33Å; E93-Q95 PolarHBondContact O-N 3.31Å; E93-K96 WeakPolarHBondContact O-CB 3.29Å; E93-K96 PolarHBondContact O-N 3.22Å; E93-L97 PolarHBondContact O-N 3.19Å
94D86.4Confident87Confident52 Ų5254.6 Ų54.628%0.27829%0.29SS..Hα-helixtrans-64.1-40.5176.8-60.1-44000111.3M90 T91 K96 L97 Q98M90-D94 HydrophobicContact CB-CB 4.48Å; M90-D94 HydrophobicContact CE-CB 3.57Å; T91-D94 WeakPolarHBondContact CB-OD2 3.44Å; T91-D94 WeakPolarHBondContact CG2-OD2 3.44Å; T91-D94 PolarHBondContact O-N 3.02Å; T91-D94 PolarHBondContact OG1-N 2.84Å; T91-D94 VanDerWaalsContact OG1-N 3.07Å; T91-D94 PolarHBondContact OG1-OD2 2.92Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 PolarHBondContact O-N 3.32Å; D94-L97 WeakPolarHBondContact O-CB 3.23Å; D94-L97 PolarHBondContact O-N 3.22Å; D94-Q98 WeakPolarHBondContact O-CG 3.28Å; D94-Q98 PolarHBondContact O-N 3.01Å
95Q86.6Confident87.2Confident36 Ų3653.8 Ų53.817%0.16828%0.284CS..Hα-helixtrans-57.6-47.1173.7-78.7179.118.100111.5Q76 L87 M90 T91 E93 L97 Q98 E99Q76-Q95 VanDerWaalsContact NE2-CD 3.32Å; L87-Q95 HydrophobicContact CD1-CG 4.05Å; L87-Q95 PolarHBondContact O-NE2 3.36Å; L87-Q95 VanDerWaalsContact O-NE2 3.11Å; M90-Q95 HydrophobicContact CB-CG 3.94Å; T91-Q95 WeakPolarHBondContact O-CB 3.37Å; T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.36Å; E93-Q95 VanDerWaalsContact C-N 3.33Å; E93-Q95 PolarHBondContact O-N 3.31Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 2.54Å; Q95-Q98 PolarHBondContact O-N 3.4Å; Q95-E99 WeakPolarHBondContact O-CG 3.47Å; Q95-E99 PolarHBondContact O-N 3.22Å
96K87.3Confident87.4Confident103 Ų10349.7 Ų49.745%0.44826%0.259SS..Hα-helixtrans-63.9-36.8176-79.1176.3171179.10112.6H92 E93 D94 E99 V100H92-K96 WeakPolarHBondContact CE1-CE 3.38Å; H92-K96 PolarHBondContact CE1-NZ 3.46Å; H92-K96 VanDerWaalsContact CE1-NZ 3.25Å; H92-K96 WeakPolarHBondContact O-CG 3.24Å; H92-K96 PolarHBondContact O-N 3.37Å; H92-K96 VanDerWaalsContact O-N 3.17Å; E93-K96 WeakPolarHBondContact O-CB 3.29Å; E93-K96 PolarHBondContact O-N 3.22Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 PolarHBondContact O-N 3.32Å; K96-E99 PolarHBondContact O-N 2.94Å; K96-V100 WeakPolarHBondContact O-CG2 3.27Å; K96-V100 PolarHBondContact O-N 2.63Å; K96-V100 VanDerWaalsContact O-N 3.08Å
97L89.3Confident87.7Confident13 Ų1347.1 Ų47.17%0.06824%0.244CC..Hα-helixtrans-62.9-45.4175.8178.859.4000110.7E93 D94 Q95 E99 V100 K101 I249 R252 T253E93-L97 PolarHBondContact O-N 3.19Å; D94-L97 WeakPolarHBondContact O-CB 3.23Å; D94-L97 PolarHBondContact O-N 3.22Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 2.54Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 3.44Å; L97-V100 PolarHBondContact O-N 2.94Å; L97-K101 HydrophobicContact CG-CD 4.48Å; L97-K101 WeakPolarHBondContact O-CG 3.37Å; L97-K101 PolarHBondContact O-N 2.93Å; L97-I249 HydrophobicContact CD1-CG2 4.06Å; L97-R252 HydrophobicContact CD1-CB 4.06Å; L97-T253 HydrophobicContact CD1-CG2 4.38Å
98Q89.9Confident88.3Confident12 Ų1246.2 Ų46.26%0.05624%0.239CC..Hα-helixtrans-61.5-38.9174.8-64.2-52.3-32.600112.4W75 M90 D94 Q95 V100 K101 F102 F167W75-Q98 HydrophobicContact CD2-CB 3.71Å; W75-Q98 HydrophobicContact CD2-CG 4.5Å; W75-Q98 HydrophobicContact CE3-CB 3.69Å; W75-Q98 HydrophobicContact CE3-CG 4.44Å; W75-Q98 HydrophobicContact CG-CB 4.28Å; W75-Q98 HydrophobicContact CH2-CB 4.25Å; W75-Q98 HydrophobicContact CH2-CG 4.12Å; W75-Q98 HydrophobicContact CZ2-CB 4.25Å; W75-Q98 HydrophobicContact CZ2-CG 4.15Å; W75-Q98 HydrophobicContact CZ3-CB 3.96Å; W75-Q98 HydrophobicContact CZ3-CG 4.25Å; M90-Q98 HydrophobicContact CE-CG 3.71Å; D94-Q98 WeakPolarHBondContact O-CG 3.28Å; D94-Q98 PolarHBondContact O-N 3.01Å; Q95-Q98 PolarHBondContact O-N 3.4Å; Q98-V100 PolarHBondContact O-N 2.92Å; Q98-K101 PolarHBondContact O-N 3.2Å; Q98-F102 WeakPolarHBondContact O-CB 3.34Å; Q98-F102 PolarHBondContact O-N 3.08Å; Q98-F167 PolarHBondContact NE2-O 2.93Å
99E88.4Confident88.7Confident32 Ų3239.1 Ų39.115%0.1520%0.202CC..Hα-helixtrans-61.3-45.1175.8-72.1-59.6169.400112.7L74 W75 Q76 Q95 K96 L97 K101 F102 E103L74-E99 WeakPolarHBondContact CB-OE1 3.48Å; W75-E99 WeakPolarHBondContact CB-OE1 3.48Å; W75-E99 WeakPolarHBondContact CB-OE2 3.38Å; W75-E99 VanDerWaalsContact N-CD 3.26Å; W75-E99 PolarHBondContact N-OE1 3.44Å; W75-E99 PolarHBondContact N-OE2 3.21Å; Q76-E99 VanDerWaalsContact CG-OE1 3.28Å; Q76-E99 WeakPolarHBondContact CG-OE1 3.49Å; Q76-E99 PolarHBondContact N-OE1 3.04Å; Q95-E99 WeakPolarHBondContact O-CG 3.47Å; Q95-E99 PolarHBondContact O-N 3.22Å; K96-E99 PolarHBondContact O-N 2.94Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 3.44Å; E99-K101 VanDerWaalsContact C-N 3.34Å; E99-K101 PolarHBondContact O-N 2.99Å; E99-F102 PolarHBondContact O-N 3.37Å; E99-E103 WeakPolarHBondContact O-CB 3.48Å; E99-E103 PolarHBondContact O-N 2.66Å
100V88Confident88.8Confident13 Ų1334.8 Ų34.88%0.07917%0.172CC..Hα-helixtrans-67.3-37.3178.71790000111.2K96 L97 Q98 E103 L104 N248 I249K96-V100 WeakPolarHBondContact O-CG2 3.27Å; K96-V100 PolarHBondContact O-N 2.63Å; K96-V100 VanDerWaalsContact O-N 3.08Å; L97-V100 PolarHBondContact O-N 2.94Å; Q98-V100 PolarHBondContact O-N 2.92Å; V100-E103 WeakPolarHBondContact O-CB 3.19Å; V100-E103 PolarHBondContact O-N 3.42Å; V100-L104 PolarHBondContact O-N 3.07Å; V100-N248 HydrophobicContact CG1-CB 3.86Å; V100-I249 HydrophobicContact CB-CG1 4.43Å; V100-I249 HydrophobicContact CG1-CG1 3.61Å
101K91.6Very high89.1Confident1 Ų133.2 Ų33.20%0.00416%0.164CC..Hα-helixtrans-62.8-43.2173.3-71177.2167.9-174.50111.5L97 Q98 E99 L104 F169 V171 I249 E259L97-K101 HydrophobicContact CG-CD 4.48Å; L97-K101 WeakPolarHBondContact O-CG 3.37Å; L97-K101 PolarHBondContact O-N 2.93Å; Q98-K101 PolarHBondContact O-N 3.2Å; E99-K101 VanDerWaalsContact C-N 3.34Å; E99-K101 PolarHBondContact O-N 2.99Å; K101-L104 WeakPolarHBondContact O-CB 3.24Å; K101-L104 PolarHBondContact O-N 3.27Å; K101-F169 HydrophobicContact CB-CD2 4.44Å; K101-F169 HydrophobicContact CB-CE2 3.53Å; K101-F169 HydrophobicContact CB-CZ 3.73Å; K101-F169 HydrophobicContact CD-CE2 4.48Å; K101-F169 PolarHBondContact NZ-O 3.34Å; K101-V171 HydrophobicContact CB-CG1 4.29Å; K101-V171 HydrophobicContact CB-CG2 4.28Å; K101-V171 HydrophobicContact CG-CG2 4.03Å; K101-I249 HydrophobicContact CG-CD1 4.29Å; K101-I249 HydrophobicContact CG-CG1 4.48Å; K101-E259 WeakPolarHBondContact CE-OE1 3.37Å; K101-E259 IonicContact NZ-OE1 3.38Å; K101-E259 PolarHBondContact NZ-OE1 3.43Å; K101-E259 IonicContact NZ-OE2 2.77Å; K101-E259 PolarHBondContact NZ-OE2 3.34Å; K101-E259 VanDerWaalsContact NZ-OE2 3.17Å
102F90.4Very high89.4Confident8 Ų830 Ų304%0.03514%0.144CC..Hα-helixtrans-69.1-35.8179.1-171.4-114.1000112.5S73 W75 I78 Q98 E99 L104 I105 V106 F162 F169S73-F102 WeakPolarHBondContact O-CE1 3.32Å; W75-F102 HydrophobicContact CB-CB 3.8Å; W75-F102 HydrophobicContact CB-CD1 3.85Å; W75-F102 HydrophobicContact CB-CG 3.86Å; W75-F102 HydrophobicContact CG-CB 4.38Å; I78-F102 HydrophobicContact CD1-CD2 4.45Å; I78-F102 HydrophobicContact CD1-CE1 4.2Å; I78-F102 HydrophobicContact CD1-CE2 3.83Å; I78-F102 HydrophobicContact CD1-CZ 3.69Å; I78-F102 HydrophobicContact CG1-CZ 4.44Å; Q98-F102 WeakPolarHBondContact O-CB 3.34Å; Q98-F102 PolarHBondContact O-N 3.08Å; E99-F102 PolarHBondContact O-N 3.37Å; F102-L104 PolarHBondContact O-N 3.11Å; F102-I105 PolarHBondContact O-N 3.2Å; F102-I105 VanDerWaalsContact O-N 3.08Å; F102-V106 HydrophobicContact CD1-CG2 3.88Å; F102-V106 HydrophobicContact CE1-CG2 3.44Å; F102-V106 VanDerWaalsContact CE1-CG2 3.44Å; F102-V106 HydrophobicContact CE2-CG2 4.13Å; F102-V106 HydrophobicContact CG-CG2 4.4Å; F102-V106 HydrophobicContact CZ-CG2 3.57Å; F102-V106 PolarHBondContact O-N 3.06Å; F102-F162 HydrophobicContact CD2-CD2 4.34Å; F102-F162 AromaticContact CD2-CE2 3.85Å; F102-F162 HydrophobicContact CD2-CE2 3.85Å; F102-F162 HydrophobicContact CD2-CZ 4.05Å; F102-F162 HydrophobicContact CE2-CE1 4.15Å; F102-F162 HydrophobicContact CE2-CE2 4.07Å; F102-F162 AromaticContact CE2-CZ 3.79Å; F102-F162 HydrophobicContact CE2-CZ 3.79Å; F102-F169 HydrophobicContact CB-CZ 4.18Å
103E88.8Confident89.8Confident40 Ų4026.8 Ų26.819%0.18713%0.127CC..Hα-helixtrans-53.8-39.7172.4-171.4-166.5156.700111.4Y22 V26 E99 V100 I105 S107 R241 L245Y22-E103 WeakPolarHBondContact OH-CG 3.43Å; V26-E103 WeakPolarHBondContact CG1-OE1 3.31Å; E99-E103 WeakPolarHBondContact O-CB 3.48Å; E99-E103 PolarHBondContact O-N 2.66Å; V100-E103 WeakPolarHBondContact O-CB 3.19Å; V100-E103 PolarHBondContact O-N 3.42Å; E103-I105 VanDerWaalsContact C-N 3.34Å; E103-I105 PolarHBondContact O-N 2.98Å; E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 3.36Å; E103-S107 PolarHBondContact O-OG 3.46Å; E103-R241 IonicContact OE1-CZ 3.85Å; E103-R241 IonicContact OE1-NH2 3.18Å; E103-R241 PolarHBondContact OE1-NH2 3.3Å; E103-L245 VanDerWaalsContact CD-CD2 3.45Å; E103-L245 HydrophobicContact CG-CD2 4.07Å; E103-L245 VanDerWaalsContact OE1-CD2 3.24Å; E103-L245 WeakPolarHBondContact OE1-CD2 3.29Å
104L92.3Very high90.3Very high0 Ų019.6 Ų19.60%09%0.093CC..Hα-helixtrans-59.7-44.8177.6-171.2156.1000111.7V100 K101 F102 S107 E108 F154 L158 V171 V175 R238 L242 L245 L246 I249V100-L104 PolarHBondContact O-N 3.07Å; K101-L104 WeakPolarHBondContact O-CB 3.24Å; K101-L104 PolarHBondContact O-N 3.27Å; F102-L104 PolarHBondContact O-N 3.11Å; L104-S107 PolarHBondContact O-OG 2.94Å; L104-E108 PolarHBondContact O-N 3.46Å; L104-E108 VanDerWaalsContact O-N 3.07Å; L104-F154 HydrophobicContact CD2-CZ 4.02Å; L104-L158 HydrophobicContact CD2-CD1 3.61Å; L104-L158 HydrophobicContact CD2-CD2 3.98Å; L104-L158 HydrophobicContact CD2-CG 4.48Å; L104-V171 HydrophobicContact CD1-CB 4.45Å; L104-V171 HydrophobicContact CD1-CG2 4.15Å; L104-V175 HydrophobicContact CD1-CG2 4.32Å; L104-R238 PolarHBondContact O-NH2 3.07Å; L104-L242 HydrophobicContact CD1-CD2 4.22Å; L104-L242 HydrophobicContact CD2-CD2 4.39Å; L104-L242 HydrophobicContact CG-CD2 4.01Å; L104-L245 HydrophobicContact CB-CD1 4.41Å; L104-L245 HydrophobicContact CD1-CB 4.47Å; L104-L245 HydrophobicContact CG-CD1 4.41Å; L104-L246 HydrophobicContact CD1-CD2 4.35Å; L104-I249 HydrophobicContact CD1-CD1 4.31Å
105I90.7Very high90.8Very high0 Ų017.1 Ų17.10%08%0.08CC..Hα-helixtrans-67.8-50.4-179.3-53.1-179.6000110.9L11 F102 E103 S107 E108 A109 L155 L158 E159 F162 F169 V171L11-I105 HydrophobicContact CD1-CG2 3.71Å; F102-I105 PolarHBondContact O-N 3.2Å; F102-I105 VanDerWaalsContact O-N 3.08Å; E103-I105 VanDerWaalsContact C-N 3.34Å; E103-I105 PolarHBondContact O-N 2.98Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 2.87Å; I105-E108 WeakPolarHBondContact O-CB 3.38Å; I105-E108 PolarHBondContact O-N 2.99Å; I105-E108 VanDerWaalsContact O-N 3.12Å; I105-A109 PolarHBondContact O-N 3.18Å; I105-L155 HydrophobicContact CG2-CD1 4.3Å; I105-L158 HydrophobicContact CG1-CB 4.25Å; I105-L158 HydrophobicContact CG1-CD1 4.46Å; I105-L158 HydrophobicContact CG1-CD2 4.47Å; I105-L158 HydrophobicContact CG2-CB 4.4Å; I105-E159 HydrophobicContact CG2-CG 4.48Å; I105-F162 HydrophobicContact CD1-CB 3.79Å; I105-F162 HydrophobicContact CD1-CD2 4.15Å; I105-F162 HydrophobicContact CD1-CG 4.1Å; I105-F169 HydrophobicContact CD1-CD2 4.08Å; I105-F169 HydrophobicContact CD1-CE2 3.73Å; I105-V171 HydrophobicContact CD1-CG1 4.36Å; I105-V171 HydrophobicContact CG1-CG1 4.35Å
106V86.9Confident91.3Very high29 Ų2917.5 Ų17.518%0.1768%0.083CC..Hα-helixtrans-62.8-39.2-179.2175.30000111.4Y22 F102 E108 A109 S110Y22-V106 HydrophobicContact CE2-CG1 4.36Å; F102-V106 HydrophobicContact CD1-CG2 3.88Å; F102-V106 HydrophobicContact CE1-CG2 3.44Å; F102-V106 VanDerWaalsContact CE1-CG2 3.44Å; F102-V106 HydrophobicContact CE2-CG2 4.13Å; F102-V106 HydrophobicContact CG-CG2 4.4Å; F102-V106 HydrophobicContact CZ-CG2 3.57Å; F102-V106 PolarHBondContact O-N 3.06Å; V106-E108 VanDerWaalsContact C-N 3.33Å; V106-A109 PolarHBondContact O-N 3.21Å; V106-S110 PolarHBondContact O-N 2.9Å; V106-S110 VanDerWaalsContact O-N 3.11Å; V106-S110 PolarHBondContact O-OG 2.85Å
107S89.1Confident91.7Very high2 Ų213.2 Ų13.21%0.0147%0.065CC..Hα-helixtrans-68-32.3176.769.60000112.5Y19 Y22 E103 L104 I105 Y111 R238Y19-S107 WeakPolarHBondContact CD2-O 3.39Å; Y22-S107 VanDerWaalsContact CE1-CB 3.45Å; E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 3.36Å; E103-S107 PolarHBondContact O-OG 3.46Å; L104-S107 PolarHBondContact O-OG 2.94Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 2.87Å; S107-Y111 WeakPolarHBondContact O-CB 3.4Å; S107-Y111 PolarHBondContact O-N 3.26Å; S107-R238 PolarHBondContact OG-NH1 2.87Å; S107-R238 PolarHBondContact OG-NH2 3.45Å
108E94.1Very high92.1Very high1 Ų112.6 Ų12.61%0.0056%0.062CC..Hα-helixtrans-68.4-42.7173.6-171.163.5-155.500111.5L104 I105 V106 S110 Y111 L112 S151 F154 L155 L158 R238L104-E108 PolarHBondContact O-N 3.46Å; L104-E108 VanDerWaalsContact O-N 3.07Å; I105-E108 WeakPolarHBondContact O-CB 3.38Å; I105-E108 PolarHBondContact O-N 2.99Å; I105-E108 VanDerWaalsContact O-N 3.12Å; V106-E108 VanDerWaalsContact C-N 3.33Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.23Å; E108-Y111 WeakPolarHBondContact O-CB 3.47Å; E108-Y111 PolarHBondContact O-N 3.29Å; E108-Y111 WeakPolarHBondContact OE1-CD1 3.32Å; E108-L112 WeakPolarHBondContact O-CB 3.43Å; E108-L112 PolarHBondContact O-N 3.16Å; E108-S151 WeakPolarHBondContact OE1-CB 3.49Å; E108-S151 PolarHBondContact OE1-OG 3.39Å; E108-F154 HydrophobicContact CB-CE1 4.47Å; E108-F154 HydrophobicContact CG-CD1 3.66Å; E108-F154 HydrophobicContact CG-CE1 3.87Å; E108-F154 WeakPolarHBondContact OE2-CE1 3.44Å; E108-L155 HydrophobicContact CB-CD1 4.03Å; E108-L155 HydrophobicContact CG-CB 3.95Å; E108-L155 HydrophobicContact CG-CD1 4.09Å; E108-L158 HydrophobicContact CB-CD1 4.29Å; E108-L158 HydrophobicContact CG-CD1 4.38Å; E108-R238 IonicContact OE2-CZ 2.71Å; E108-R238 IonicContact OE2-NE 3.44Å; E108-R238 PolarHBondContact OE2-NE 2.65Å; E108-R238 IonicContact OE2-NH2 2.71Å; E108-R238 PolarHBondContact OE2-NH2 2.98Å
109A90.1Very high92.4Very high2 Ų212 Ų122%0.0176%0.059CC..Hα-helixtrans-59-42.3175.600000112.1L11 I105 V106 R113 L155L11-A109 HydrophobicContact CB-CB 3.83Å; I105-A109 PolarHBondContact O-N 3.18Å; V106-A109 PolarHBondContact O-N 3.21Å; A109-R113 PolarHBondContact O-N 2.97Å; A109-R113 VanDerWaalsContact O-N 3.08Å; A109-L155 HydrophobicContact CB-CD1 4.06Å; A109-L155 HydrophobicContact CB-CD2 3.99Å
110S89.1Confident92.8Very high3 Ų314.5 Ų14.52%0.0217%0.074CC..Hα-helixtrans-67.4-39176.8-54.70000112V106 E108 S114V106-S110 PolarHBondContact O-N 2.9Å; V106-S110 VanDerWaalsContact O-N 3.11Å; V106-S110 PolarHBondContact O-OG 2.85Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.23Å; S110-S114 PolarHBondContact O-N 2.82Å; S110-S114 PolarHBondContact O-OG 3.07Å
111Y94.7Very high93.3Very high0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-62.7-50.8175.2172.3-116.5000111.8Y19 S107 E108 R113 S114 L115 V147 S151 Y186 L234 P235 R238Y19-Y111 HydrophobicContact CD1-CD2 4.1Å; Y19-Y111 HydrophobicContact CE1-CD2 4.3Å; Y19-Y111 HydrophobicContact CG-CD2 4.26Å; S107-Y111 WeakPolarHBondContact O-CB 3.4Å; S107-Y111 PolarHBondContact O-N 3.26Å; E108-Y111 WeakPolarHBondContact O-CB 3.47Å; E108-Y111 PolarHBondContact O-N 3.29Å; E108-Y111 WeakPolarHBondContact OE1-CD1 3.32Å; Y111-R113 VanDerWaalsContact C-N 3.29Å; Y111-R113 PolarHBondContact O-N 3.44Å; Y111-S114 WeakPolarHBondContact O-CA 3.28Å; Y111-S114 WeakPolarHBondContact O-CB 3.35Å; Y111-S114 PolarHBondContact O-N 3.38Å; Y111-L115 HydrophobicContact CD1-CD1 4.13Å; Y111-L115 HydrophobicContact CD2-CG 4.33Å; Y111-L115 HydrophobicContact CE1-CD1 3.49Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.49Å; Y111-L115 HydrophobicContact CE1-CG 4.14Å; Y111-L115 HydrophobicContact CE2-CD1 4.1Å; Y111-L115 HydrophobicContact CE2-CD2 3.93Å; Y111-L115 HydrophobicContact CE2-CG 3.89Å; Y111-L115 VanDerWaalsContact CZ-CD1 3.48Å; Y111-L115 PolarHBondContact O-N 3.41Å; Y111-V147 WeakPolarHBondContact OH-CG1 3.29Å; Y111-S151 WeakPolarHBondContact CD1-OG 3.33Å; Y111-Y186 VanDerWaalsContact CE1-OH 3.31Å; Y111-Y186 WeakPolarHBondContact CE1-OH 3.45Å; Y111-Y186 WeakPolarHBondContact OH-CE1 3.37Å; Y111-Y186 PolarHBondContact OH-OH 3.39Å; Y111-Y186 VanDerWaalsContact OH-OH 3.07Å; Y111-L234 HydrophobicContact CD2-CB 4.36Å; Y111-L234 HydrophobicContact CE2-CB 3.84Å; Y111-P235 WeakPolarHBondContact OH-CA 3.48Å; Y111-R238 HydrophobicContact CD1-CB 4.41Å; Y111-R238 HydrophobicContact CD1-CG 3.72Å; Y111-R238 HydrophobicContact CD2-CB 3.97Å; Y111-R238 HydrophobicContact CD2-CG 4.09Å; Y111-R238 HydrophobicContact CE1-CB 4.09Å; Y111-R238 HydrophobicContact CE1-CG 3.63Å; Y111-R238 HydrophobicContact CE2-CB 3.62Å; Y111-R238 HydrophobicContact CE2-CG 4.02Å; Y111-R238 HydrophobicContact CG-CB 4.34Å; Y111-R238 HydrophobicContact CG-CG 3.93Å
112L95.2Very high93.6Very high6 Ų615.6 Ų15.63%0.0318%0.078CC..Hα-helixtrans-60.3-39.3178.5-18059.4000112.2I12 E108 S114 L115 N116 R148 A152 L155I12-L112 HydrophobicContact CD1-CD2 3.59Å; I12-L112 HydrophobicContact CD1-CG 4.22Å; I12-L112 HydrophobicContact CG1-CD2 4.33Å; E108-L112 WeakPolarHBondContact O-CB 3.43Å; E108-L112 PolarHBondContact O-N 3.16Å; L112-S114 VanDerWaalsContact C-N 3.27Å; L112-S114 PolarHBondContact O-N 2.74Å; L112-L115 PolarHBondContact O-N 3.48Å; L112-N116 VanDerWaalsContact O-CG 3.23Å; L112-N116 PolarHBondContact O-N 3.02Å; L112-N116 PolarHBondContact O-ND2 3.33Å; L112-N116 PolarHBondContact O-OD1 2.92Å; L112-R148 HydrophobicContact CD1-CG 3.89Å; L112-A152 HydrophobicContact CD1-CB 4Å; L112-A152 HydrophobicContact CD2-CB 3.98Å; L112-L155 HydrophobicContact CB-CD2 4.49Å; L112-L155 HydrophobicContact CD2-CB 4.34Å; L112-L155 HydrophobicContact CD2-CD2 3.65Å
113R93.1Very high93.9Very high58 Ų5816 Ų1622%0.2198%0.08CC..Hα-helixtrans-57.3-42.4172.8-178.2178.4174-157.3-0.8112.1I12 S15 Q16 L17 L18 A109 Y111 N116 I117I12-R113 HydrophobicContact CG2-CB 4.31Å; S15-R113 VanDerWaalsContact C-NH1 3.29Å; S15-R113 PolarHBondContact O-NH1 2.68Å; S15-R113 VanDerWaalsContact OG-CD 3.31Å; S15-R113 WeakPolarHBondContact OG-CD 3.48Å; S15-R113 PolarHBondContact OG-NH1 3.16Å; Q16-R113 PolarHBondContact O-NH1 2.87Å; Q16-R113 PolarHBondContact O-NH2 3.04Å; L17-R113 PolarHBondContact O-NH1 3.36Å; L18-R113 HydrophobicContact CD2-CG 4.17Å; A109-R113 PolarHBondContact O-N 2.97Å; A109-R113 VanDerWaalsContact O-N 3.08Å; Y111-R113 VanDerWaalsContact C-N 3.29Å; Y111-R113 PolarHBondContact O-N 3.44Å; R113-N116 WeakPolarHBondContact O-CB 3.43Å; R113-N116 PolarHBondContact O-N 3.27Å; R113-I117 PolarHBondContact O-N 3.14Å
114S94.8Very high94.3Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-69.8-36.6179.3-50.60000111.4Y19 S110 Y111 L112 I117 A118 F231Y19-S114 VanDerWaalsContact CB-OG 3.32Å; Y19-S114 WeakPolarHBondContact CB-OG 3.3Å; Y19-S114 PolarHBondContact N-OG 2.88Å; S110-S114 PolarHBondContact O-N 2.82Å; S110-S114 PolarHBondContact O-OG 3.07Å; Y111-S114 WeakPolarHBondContact O-CA 3.28Å; Y111-S114 WeakPolarHBondContact O-CB 3.35Å; Y111-S114 PolarHBondContact O-N 3.38Å; L112-S114 VanDerWaalsContact C-N 3.27Å; L112-S114 PolarHBondContact O-N 2.74Å; S114-I117 PolarHBondContact O-N 3.26Å; S114-A118 PolarHBondContact O-N 3.44Å; S114-F231 WeakPolarHBondContact O-CD1 3.25Å
115L96.8Very high94.6Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-64.9-37.9171.2-69-175.1000112.7Y111 L112 I117 A118 V119 L144 V147 R148 P235Y111-L115 HydrophobicContact CD1-CD1 4.13Å; Y111-L115 HydrophobicContact CD2-CG 4.33Å; Y111-L115 HydrophobicContact CE1-CD1 3.49Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.49Å; Y111-L115 HydrophobicContact CE1-CG 4.14Å; Y111-L115 HydrophobicContact CE2-CD1 4.1Å; Y111-L115 HydrophobicContact CE2-CD2 3.93Å; Y111-L115 HydrophobicContact CE2-CG 3.89Å; Y111-L115 VanDerWaalsContact CZ-CD1 3.48Å; Y111-L115 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3.48Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 3.27Å; L115-A118 WeakPolarHBondContact O-CB 3.43Å; L115-A118 PolarHBondContact O-N 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.49Å; L115-V119 PolarHBondContact O-N 3.5Å; L115-L144 HydrophobicContact CD2-CD1 3.95Å; L115-V147 HydrophobicContact CD1-CG1 4.04Å; L115-R148 HydrophobicContact CB-CB 4.19Å; L115-R148 HydrophobicContact CB-CG 4.1Å; L115-R148 HydrophobicContact CD1-CB 4.22Å; L115-P235 HydrophobicContact CD2-CG 4.48Å
116N96.1Very high94.9Very high45 Ų4525.1 Ų25.124%0.24114%0.135CC..Hα-helixtrans-59.8-42.9175.4-69.1-19.7000110.6L112 R113 V119 D120 R148L112-N116 VanDerWaalsContact O-CG 3.23Å; L112-N116 PolarHBondContact O-N 3.02Å; L112-N116 PolarHBondContact O-ND2 3.33Å; L112-N116 PolarHBondContact O-OD1 2.92Å; R113-N116 WeakPolarHBondContact O-CB 3.43Å; R113-N116 PolarHBondContact O-N 3.27Å; N116-V119 PolarHBondContact O-N 3.16Å; N116-D120 WeakPolarHBondContact O-CB 3.47Å; N116-D120 PolarHBondContact O-N 2.86Å; N116-R148 VanDerWaalsContact OD1-CD 3.29Å; N116-R148 WeakPolarHBondContact OD1-CD 3.3Å
117I96.4Very high95.4Very high13 Ų1326.5 Ų26.57%0.06715%0.146CC..Iπ-helixtrans-62.7-47.8174-62.7166.6000110.6L18 R113 S114 L115 V119 H121 F122 V222 F231L18-I117 HydrophobicContact CD1-CD1 3.88Å; L18-I117 HydrophobicContact CD2-CD1 3.42Å; L18-I117 VanDerWaalsContact CD2-CD1 3.42Å; L18-I117 HydrophobicContact CG-CD1 4.31Å; R113-I117 PolarHBondContact O-N 3.14Å; S114-I117 PolarHBondContact O-N 3.26Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 3.27Å; I117-V119 PolarHBondContact O-N 3.03Å; I117-H121 HydrophobicContact CG2-CB 4.09Å; I117-H121 WeakPolarHBondContact O-CA 3.35Å; I117-H121 WeakPolarHBondContact O-CB 3.45Å; I117-H121 PolarHBondContact O-N 2.91Å; I117-F122 HydrophobicContact CG2-CD2 4.38Å; I117-F122 HydrophobicContact CG2-CE2 4.05Å; I117-F122 PolarHBondContact O-N 3.12Å; I117-V222 HydrophobicContact CD1-CG2 4.14Å; I117-V222 VanDerWaalsContact CD1-O 3.32Å; I117-V222 WeakPolarHBondContact CD1-O 3.42Å; I117-V222 HydrophobicContact CG1-CG2 3.99Å; I117-V222 HydrophobicContact CG2-CG1 4.49Å; I117-F231 HydrophobicContact CB-CE1 4.18Å; I117-F231 HydrophobicContact CB-CZ 4.47Å; I117-F231 HydrophobicContact CD1-CE1 4.48Å; I117-F231 HydrophobicContact CG2-CE1 4.13Å; I117-F231 HydrophobicContact CG2-CE2 4.43Å; I117-F231 HydrophobicContact CG2-CZ 3.95Å
118A97.2Very high95.7Very high0 Ų026.4 Ų26.40%015%0.145CC..Iπ-helixtrans-56.5-39179.900000112.5S114 L115 F122 Q123 L144 F231S114-A118 PolarHBondContact O-N 3.44Å; L115-A118 WeakPolarHBondContact O-CB 3.43Å; L115-A118 PolarHBondContact O-N 3.29Å; A118-F122 WeakPolarHBondContact O-CB 3.32Å; A118-Q123 PolarHBondContact O-N 3.49Å; A118-Q123 VanDerWaalsContact O-N 3.09Å; A118-L144 HydrophobicContact CB-CD2 3.84Å; A118-F231 HydrophobicContact CB-CB 3.83Å; A118-F231 HydrophobicContact CB-CD1 4.33Å; A118-F231 HydrophobicContact CB-CG 4.3Å
119V97.6Very high95.9Very high0 Ų030.6 Ų30.60%016%0.161CC..Iπ-helixtrans-83.8-56.4179.6178.40000112L115 N116 I117 Q123 L124 L144 Q145 R148L115-V119 WeakPolarHBondContact O-CG2 3.49Å; L115-V119 PolarHBondContact O-N 3.5Å; N116-V119 PolarHBondContact O-N 3.16Å; I117-V119 PolarHBondContact O-N 3.03Å; V119-Q123 WeakPolarHBondContact O-CB 3.42Å; V119-Q123 PolarHBondContact O-N 3.41Å; V119-Q123 VanDerWaalsContact O-N 3.15Å; V119-L124 HydrophobicContact CG1-CD1 4.03Å; V119-L124 HydrophobicContact CG1-CG 4.12Å; V119-L124 WeakPolarHBondContact O-CB 3.38Å; V119-L124 WeakPolarHBondContact O-CG 3.38Å; V119-L124 PolarHBondContact O-N 3.1Å; V119-L144 HydrophobicContact CG2-CD2 4.15Å; V119-L144 HydrophobicContact CG2-CG 3.89Å; V119-Q145 HydrophobicContact CG1-CG 3.79Å; V119-Q145 HydrophobicContact CG2-CG 4.38Å; V119-R148 HydrophobicContact CG2-CB 4.19Å
120D97.1Very high96.2Very high84 Ų8434.6 Ų34.645%0.44919%0.194SC..Iπ-helixtrans-75.9-38.8-168.2-58.4-33.3000112N116 R148N116-D120 WeakPolarHBondContact O-CB 3.47Å; N116-D120 PolarHBondContact O-N 2.86Å; D120-R148 IonicContact OD1-CZ 3.2Å; D120-R148 IonicContact OD1-NH1 3.35Å; D120-R148 PolarHBondContact OD1-NH1 3.02Å; D120-R148 IonicContact OD2-NH1 3.86Å
121H97.3Very high96.6Very high36 Ų3635 Ų3517%0.16720%0.197CC..Iπ-helixtrans-86.2-37-178.5-171.168.7000113.2I117 S125 L217 D220 V222 C223I117-H121 HydrophobicContact CG2-CB 4.09Å; I117-H121 WeakPolarHBondContact O-CA 3.35Å; I117-H121 WeakPolarHBondContact O-CB 3.45Å; I117-H121 PolarHBondContact O-N 2.91Å; H121-S125 WeakPolarHBondContact O-CB 3.47Å; H121-L217 PolarHBondContact NE2-O 3.49Å; H121-D220 IonicContact CE1-OD2 3.49Å; H121-D220 PolarHBondContact CE1-OD2 3.24Å; H121-V222 HydrophobicContact CB-CG1 4.48Å; H121-C223 PolarHBondContact CD2-SG 3.14Å
122F97.8Very high96.7Very high1 Ų135.7 Ų35.70%0.00420%0.2CC..Iπ-helixtrans-102.3-63.6-178.6-62.8-80.6000112.9I117 A118 L124 S125 L128 F141 L214 L217 E218 C223 L228 F231I117-F122 HydrophobicContact CG2-CD2 4.38Å; I117-F122 HydrophobicContact CG2-CE2 4.05Å; I117-F122 PolarHBondContact O-N 3.12Å; A118-F122 WeakPolarHBondContact O-CB 3.32Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 3.37Å; F122-S125 VanDerWaalsContact O-CB 3.27Å; F122-S125 WeakPolarHBondContact O-CB 3.13Å; F122-S125 PolarHBondContact O-N 3.17Å; F122-S125 VanDerWaalsContact O-N 3.13Å; F122-L128 HydrophobicContact CB-CD2 4.43Å; F122-L128 WeakPolarHBondContact O-CD2 3.22Å; F122-F141 HydrophobicContact CB-CE1 4.19Å; F122-F141 HydrophobicContact CB-CZ 4.36Å; F122-L214 HydrophobicContact CD1-CD1 4.19Å; F122-L214 HydrophobicContact CE1-CD1 4.04Å; F122-L217 HydrophobicContact CD1-CB 4.09Å; F122-L217 HydrophobicContact CD1-CD1 4.19Å; F122-L217 HydrophobicContact CE1-CB 3.8Å; F122-E218 HydrophobicContact CE1-CG 3.94Å; F122-E218 HydrophobicContact CZ-CG 4.13Å; F122-C223 WeakPolarHBondContact CZ-SG 3.45Å; F122-L228 HydrophobicContact CB-CD1 3.81Å; F122-L228 HydrophobicContact CD1-CB 4.15Å; F122-L228 HydrophobicContact CD1-CD1 4.12Å; F122-L228 HydrophobicContact CD1-CD2 4.4Å; F122-L228 HydrophobicContact CD1-CG 4.45Å; F122-L228 HydrophobicContact CD2-CD1 4.06Å; F122-L228 HydrophobicContact CE1-CB 4.04Å; F122-L228 HydrophobicContact CG-CD1 3.76Å; F122-L228 HydrophobicContact CZ-CB 4.34Å; F122-F231 AromaticContact CE2-CD2 3.91Å; F122-F231 HydrophobicContact CE2-CD2 3.91Å; F122-F231 AromaticContact CE2-CE2 3.96Å; F122-F231 HydrophobicContact CE2-CE2 3.96Å
123Q97.4Very high96.8Very high16 Ų1637.9 Ų37.98%0.07522%0.216CC..Iπ-helixtrans-61.6-38.4-171.4-174.4178.44.300113.6A118 V119 H137 F141A118-Q123 PolarHBondContact O-N 3.49Å; A118-Q123 VanDerWaalsContact O-N 3.09Å; V119-Q123 WeakPolarHBondContact O-CB 3.42Å; V119-Q123 PolarHBondContact O-N 3.41Å; V119-Q123 VanDerWaalsContact O-N 3.15Å; Q123-H137 PolarHBondContact O-NE2 2.98Å; Q123-H137 VanDerWaalsContact O-NE2 3.16Å; Q123-F141 HydrophobicContact CB-CD1 3.65Å; Q123-F141 HydrophobicContact CB-CD2 4.39Å; Q123-F141 HydrophobicContact CB-CE1 3.75Å; Q123-F141 HydrophobicContact CB-CE2 4.47Å; Q123-F141 HydrophobicContact CB-CG 3.99Å; Q123-F141 HydrophobicContact CB-CZ 4.18Å; Q123-F141 HydrophobicContact CG-CB 3.91Å; Q123-F141 HydrophobicContact CG-CD1 3.82Å; Q123-F141 HydrophobicContact CG-CD2 3.96Å; Q123-F141 HydrophobicContact CG-CE1 4.32Å; Q123-F141 HydrophobicContact CG-CE2 4.45Å; Q123-F141 HydrophobicContact CG-CG 3.63Å
124L97.1Very high96.9Very high92 Ų9240.9 Ų40.948%0.48224%0.236SC..THydrogen-bonded Turntrans-90.8-0.4-179.9-65.6-178.7000113.5V119 F122 T126V119-L124 HydrophobicContact CG1-CD1 4.03Å; V119-L124 HydrophobicContact CG1-CG 4.12Å; V119-L124 WeakPolarHBondContact O-CB 3.38Å; V119-L124 WeakPolarHBondContact O-CG 3.38Å; V119-L124 PolarHBondContact O-N 3.1Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 3.37Å; L124-T126 PolarHBondContact O-N 3.44Å
125S97.6Very high96.9Very high15 Ų1546 Ų4611%0.10526%0.26CS..  trans-61.8120176174.70000111H121 F122 S127 L128 R129H121-S125 WeakPolarHBondContact O-CB 3.47Å; F122-S125 VanDerWaalsContact O-CB 3.27Å; F122-S125 WeakPolarHBondContact O-CB 3.13Å; F122-S125 PolarHBondContact O-N 3.17Å; F122-S125 VanDerWaalsContact O-N 3.13Å; S125-S127 VanDerWaalsContact C-N 3.31Å; S125-S127 PolarHBondContact O-N 2.9Å; S125-S127 PolarHBondContact OG-OG 2.94Å; S125-L128 PolarHBondContact O-N 3.49Å; S125-L128 PolarHBondContact OG-N 3.32Å; S125-R129 VanDerWaalsContact O-CB 3.23Å; S125-R129 WeakPolarHBondContact O-CB 3.44Å; S125-R129 PolarHBondContact O-N 3.29Å
126T97.4Very high96.8Very high124 Ų12448.7 Ų48.776%0.76127%0.273SS*.Hα-helixtrans-65.1-36.8178.353.30000111.8L124 A130L124-T126 PolarHBondContact O-N 3.44Å; T126-A130 WeakPolarHBondContact O-CB 3.23Å; T126-A130 PolarHBondContact O-N 3.43Å; T126-A130 VanDerWaalsContact O-N 3.12Å
127S97Very high96.8Very high58 Ų5848.2 Ų48.241%0.40627%0.269SS..Hα-helixtrans-66.7-44.2176.954.10000111.6S125 A130 T131S125-S127 VanDerWaalsContact C-N 3.31Å; S125-S127 PolarHBondContact O-N 2.9Å; S125-S127 PolarHBondContact OG-OG 2.94Å; S127-A130 PolarHBondContact O-N 2.95Å; S127-T131 WeakPolarHBondContact O-CG2 3.44Å
128L96.7Very high96.7Very high1 Ų154 Ų541%0.00530%0.296CS..Hα-helixtrans-69.2-39.3178.2-168.366.5000111.1F122 S125 A130 T131 L132 F141 F210 V213 L217F122-L128 HydrophobicContact CB-CD2 4.43Å; F122-L128 WeakPolarHBondContact O-CD2 3.22Å; S125-L128 PolarHBondContact O-N 3.49Å; S125-L128 PolarHBondContact OG-N 3.32Å; L128-A130 PolarHBondContact O-N 2.86Å; L128-T131 PolarHBondContact O-N 3.35Å; L128-T131 VanDerWaalsContact O-N 3.11Å; L128-T131 PolarHBondContact O-OG1 3.31Å; L128-L132 HydrophobicContact CG-CD1 4.4Å; L128-F141 HydrophobicContact CD2-CE2 4.44Å; L128-F141 HydrophobicContact CD2-CZ 3.92Å; L128-F210 HydrophobicContact CD1-CD2 3.71Å; L128-F210 HydrophobicContact CD1-CE2 3.6Å; L128-F210 HydrophobicContact CG-CE2 4.35Å; L128-V213 HydrophobicContact CB-CG1 4.18Å; L128-V213 HydrophobicContact CD1-CG1 4.1Å; L128-L217 HydrophobicContact CB-CD1 3.91Å; L128-L217 HydrophobicContact CD1-CD1 4.36Å; L128-L217 HydrophobicContact CD2-CD1 4.14Å; L128-L217 HydrophobicContact CG-CD1 4.38Å
129R97.3Very high96.6Very high89 Ų8959.6 Ų59.634%0.33632%0.317SS..Hα-helixtrans-59.9-36.5177.7-179.659.2178.9101.30112.6S125 T131 L132 N134 H137S125-R129 VanDerWaalsContact O-CB 3.23Å; S125-R129 WeakPolarHBondContact O-CB 3.44Å; S125-R129 PolarHBondContact O-N 3.29Å; R129-T131 PolarHBondContact O-N 3.26Å; R129-L132 PolarHBondContact NH1-O 2.86Å; R129-L132 PolarHBondContact O-N 3.45Å; R129-N134 PolarHBondContact NH2-OD1 3.47Å; R129-H137 VanDerWaalsContact CD-CD2 3.44Å; R129-H137 WeakPolarHBondContact CD-CD2 3.45Å
130A97.4Very high96.5Very high86 Ų8659.6 Ų59.671%0.71132%0.317SS*.Hα-helixtrans-67.4-19.717900000113.4T126 S127 L128T126-A130 WeakPolarHBondContact O-CB 3.23Å; T126-A130 PolarHBondContact O-N 3.43Å; T126-A130 VanDerWaalsContact O-N 3.12Å; S127-A130 PolarHBondContact O-N 2.95Å; L128-A130 PolarHBondContact O-N 2.86Å
131T96.7Very high96.5Very high12 Ų1255.6 Ų55.67%0.07430%0.296CS..THydrogen-bonded Turntrans-90.2-1.3178.273.10000113.5S127 L128 R129 N207 N209 F210 V213S127-T131 WeakPolarHBondContact O-CG2 3.44Å; L128-T131 PolarHBondContact O-N 3.35Å; L128-T131 VanDerWaalsContact O-N 3.11Å; L128-T131 PolarHBondContact O-OG1 3.31Å; R129-T131 PolarHBondContact O-N 3.26Å; T131-N207 PolarHBondContact O-ND2 3.2Å; T131-N209 HydrophobicContact CG2-CB 4.36Å; T131-F210 WeakPolarHBondContact OG1-CD2 3.38Å; T131-V213 HydrophobicContact CG2-CB 4.39Å; T131-V213 HydrophobicContact CG2-CG2 3.97Å
132L97Very high96.3Very high13 Ų1354.9 Ų54.97%0.06830%0.295CS..SBendtrans-122.8138.5-170.4-62.5173000111.6L128 R129 E136 H137 L140 F141 L203 F210L128-L132 HydrophobicContact CG-CD1 4.4Å; R129-L132 PolarHBondContact NH1-O 2.86Å; R129-L132 PolarHBondContact O-N 3.45Å; L132-E136 HydrophobicContact CD2-CB 4.22Å; L132-H137 HydrophobicContact CB-CB 4.28Å; L132-H137 HydrophobicContact CD1-CB 4.35Å; L132-L140 HydrophobicContact CD1-CD2 4.11Å; L132-F141 HydrophobicContact CD1-CE2 4.33Å; L132-L203 HydrophobicContact CD2-CD1 3.47Å; L132-L203 VanDerWaalsContact CD2-CD1 3.47Å; L132-L203 HydrophobicContact CD2-CD2 3.69Å; L132-L203 HydrophobicContact CD2-CG 4.23Å; L132-F210 HydrophobicContact CD1-CE2 4.37Å; L132-F210 HydrophobicContact CD2-CD2 3.67Å; L132-F210 HydrophobicContact CD2-CE2 3.83Å; L132-F210 HydrophobicContact CG-CD2 4.24Å; L132-F210 HydrophobicContact CG-CE2 4.41Å
133S96.8Very high96Very high53 Ų5361.1 Ų61.137%0.37132%0.318SS..  trans-67.1164.4163.368.40000111.3Q135 E136 H137S133-Q135 PolarHBondContact O-N 2.55Å; S133-E136 VanDerWaalsContact CB-OE2 3.23Å; S133-E136 WeakPolarHBondContact CB-OE2 3.39Å; S133-E136 PolarHBondContact N-OE2 3.37Å; S133-E136 PolarHBondContact O-N 2.9Å; S133-E136 WeakPolarHBondContact OG-CB 3.36Å; S133-E136 VanDerWaalsContact OG-CD 3.23Å; S133-E136 VanDerWaalsContact OG-CG 3.22Å; S133-E136 WeakPolarHBondContact OG-CG 3.27Å; S133-E136 PolarHBondContact OG-N 3.34Å; S133-E136 VanDerWaalsContact OG-N 3.16Å; S133-E136 PolarHBondContact OG-OE2 2.91Å; S133-H137 WeakPolarHBondContact O-CB 3.46Å; S133-H137 PolarHBondContact O-N 3.46Å
134N95.4Very high95.9Very high120 Ų12060.3 Ų60.364%0.64232%0.315SS*.Hα-helixtrans-58.5-40.1176.3-65.2-13.4000111.8R129 Q138R129-N134 PolarHBondContact NH2-OD1 3.47Å; N134-Q138 WeakPolarHBondContact O-CB 3.39Å; N134-Q138 PolarHBondContact O-N 2.94Å
135Q94.9Very high95.8Very high107 Ų10759.1 Ų59.150%0.531%0.306SS..Hα-helixtrans-69.4-45.2-179.5-175.6172.68.500111.5S133 Q138 W139S133-Q135 PolarHBondContact O-N 2.55Å; Q135-Q138 PolarHBondContact O-N 2.89Å; Q135-W139 HydrophobicContact CG-CD2 3.87Å; Q135-W139 HydrophobicContact CG-CE3 3.98Å; Q135-W139 HydrophobicContact CG-CH2 4.01Å; Q135-W139 HydrophobicContact CG-CZ2 3.87Å; Q135-W139 HydrophobicContact CG-CZ3 4.03Å; Q135-W139 WeakPolarHBondContact O-CB 3.5Å; Q135-W139 PolarHBondContact O-N 3.41Å
136E95.9Very high95.8Very high57 Ų5761.1 Ų61.127%0.26632%0.316SS..Hα-helixtrans-63.7-41.2176.8-70.9161.314200111.8L132 S133 W139 L140 T199 L203L132-E136 HydrophobicContact CD2-CB 4.22Å; S133-E136 VanDerWaalsContact CB-OE2 3.23Å; S133-E136 WeakPolarHBondContact CB-OE2 3.39Å; S133-E136 PolarHBondContact N-OE2 3.37Å; S133-E136 PolarHBondContact O-N 2.9Å; S133-E136 WeakPolarHBondContact OG-CB 3.36Å; S133-E136 VanDerWaalsContact OG-CD 3.23Å; S133-E136 VanDerWaalsContact OG-CG 3.22Å; S133-E136 WeakPolarHBondContact OG-CG 3.27Å; S133-E136 PolarHBondContact OG-N 3.34Å; S133-E136 VanDerWaalsContact OG-N 3.16Å; S133-E136 PolarHBondContact OG-OE2 2.91Å; E136-W139 PolarHBondContact O-N 3.38Å; E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 PolarHBondContact O-N 3.44Å; E136-T199 HydrophobicContact CB-CG2 4.26Å; E136-T199 HydrophobicContact CG-CG2 4.36Å; E136-L203 HydrophobicContact CG-CD2 4.43Å; E136-L203 WeakPolarHBondContact OE1-CD2 3.44Å
137H96.1Very high95.9Very high35 Ų3555.2 Ų55.216%0.16228%0.28CS..Hα-helixtrans-62.6-45.8176.2-175.7-88.7000111.5Q123 R129 L132 S133 W139 L140 F141Q123-H137 PolarHBondContact O-NE2 2.98Å; Q123-H137 VanDerWaalsContact O-NE2 3.16Å; R129-H137 VanDerWaalsContact CD-CD2 3.44Å; R129-H137 WeakPolarHBondContact CD-CD2 3.45Å; L132-H137 HydrophobicContact CB-CB 4.28Å; L132-H137 HydrophobicContact CD1-CB 4.35Å; S133-H137 WeakPolarHBondContact O-CB 3.46Å; S133-H137 PolarHBondContact O-N 3.46Å; H137-W139 PolarHBondContact O-N 3Å; H137-L140 PolarHBondContact O-N 3.48Å; H137-F141 AromaticContact CD2-CD2 3.72Å; H137-F141 AromaticContact CD2-CE2 3.83Å; H137-F141 AromaticContact NE2-CD2 3.67Å; H137-F141 AromaticContact NE2-CE2 3.92Å; H137-F141 PolarHBondContact O-N 3.46Å; H137-F141 VanDerWaalsContact O-N 3.07Å
138Q94.3Very high95.9Very high136 Ų13654.4 Ų54.464%0.63627%0.268SS*.Hα-helixtrans-63.7-40.2176.9-173.1178.112.100112.1N134 Q135 S142N134-Q138 WeakPolarHBondContact O-CB 3.39Å; N134-Q138 PolarHBondContact O-N 2.94Å; Q135-Q138 PolarHBondContact O-N 2.89Å; Q138-S142 WeakPolarHBondContact O-CA 3.37Å; Q138-S142 PolarHBondContact O-N 3.42Å
139W94.1Very high95.9Very high116 Ų11657.2 Ų57.244%0.43928%0.283SS..Hα-helixtrans-73-35.4177.9-73.9-12.8000113.3Q135 E136 H137 Q196 T199Q135-W139 HydrophobicContact CG-CD2 3.87Å; Q135-W139 HydrophobicContact CG-CE3 3.98Å; Q135-W139 HydrophobicContact CG-CH2 4.01Å; Q135-W139 HydrophobicContact CG-CZ2 3.87Å; Q135-W139 HydrophobicContact CG-CZ3 4.03Å; Q135-W139 WeakPolarHBondContact O-CB 3.5Å; Q135-W139 PolarHBondContact O-N 3.41Å; E136-W139 PolarHBondContact O-N 3.38Å; H137-W139 PolarHBondContact O-N 3Å; W139-Q196 WeakPolarHBondContact O-CA 3.46Å; W139-Q196 WeakPolarHBondContact O-CG 3.5Å; W139-T199 HydrophobicContact CB-CG2 4.28Å
140L96.4Very high96Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-71.9-44.3-178.9179.360.6000112.1L132 E136 H137 Q196 T199 F200 L203 F210 L232L132-L140 HydrophobicContact CD1-CD2 4.11Å; E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 PolarHBondContact O-N 3.44Å; H137-L140 PolarHBondContact O-N 3.48Å; L140-Q196 WeakPolarHBondContact O-CG 3.39Å; L140-T199 HydrophobicContact CB-CG2 4.5Å; L140-F200 HydrophobicContact CD1-CB 3.93Å; L140-F200 HydrophobicContact CD1-CD2 3.96Å; L140-F200 HydrophobicContact CD1-CG 4.45Å; L140-L203 HydrophobicContact CD2-CD1 4.28Å; L140-F210 HydrophobicContact CD2-CE2 4.07Å; L140-F210 HydrophobicContact CD2-CZ 4.18Å; L140-L232 HydrophobicContact CD1-CD1 3.82Å
141F96.1Very high95.9Very high1 Ų149.4 Ų49.40%0.00424%0.236CC..Hα-helixtrans-101.2-13.7-176.4-65-75.7000113.9F122 Q123 L128 L132 H137 R143 L144 L228 L232F122-F141 HydrophobicContact CB-CE1 4.19Å; F122-F141 HydrophobicContact CB-CZ 4.36Å; Q123-F141 HydrophobicContact CB-CD1 3.65Å; Q123-F141 HydrophobicContact CB-CD2 4.39Å; Q123-F141 HydrophobicContact CB-CE1 3.75Å; Q123-F141 HydrophobicContact CB-CE2 4.47Å; Q123-F141 HydrophobicContact CB-CG 3.99Å; Q123-F141 HydrophobicContact CB-CZ 4.18Å; Q123-F141 HydrophobicContact CG-CB 3.91Å; Q123-F141 HydrophobicContact CG-CD1 3.82Å; Q123-F141 HydrophobicContact CG-CD2 3.96Å; Q123-F141 HydrophobicContact CG-CE1 4.32Å; Q123-F141 HydrophobicContact CG-CE2 4.45Å; Q123-F141 HydrophobicContact CG-CG 3.63Å; L128-F141 HydrophobicContact CD2-CE2 4.44Å; L128-F141 HydrophobicContact CD2-CZ 3.92Å; L132-F141 HydrophobicContact CD1-CE2 4.33Å; H137-F141 AromaticContact CD2-CD2 3.72Å; H137-F141 AromaticContact CD2-CE2 3.83Å; H137-F141 AromaticContact NE2-CD2 3.67Å; H137-F141 AromaticContact NE2-CE2 3.92Å; H137-F141 PolarHBondContact O-N 3.46Å; H137-F141 VanDerWaalsContact O-N 3.07Å; F141-R143 PolarHBondContact O-N 3.36Å; F141-L144 HydrophobicContact CD1-CD2 4.17Å; F141-L144 VanDerWaalsContact O-CB 3.23Å; F141-L144 WeakPolarHBondContact O-CB 3.39Å; F141-L144 PolarHBondContact O-N 3.11Å; F141-L228 HydrophobicContact CE1-CD1 4.01Å; F141-L228 HydrophobicContact CE1-CD2 4.46Å; F141-L228 HydrophobicContact CZ-CD2 4.32Å; F141-L232 HydrophobicContact CD1-CD2 4.13Å; F141-L232 HydrophobicContact CE1-CD2 4.47Å
142S93Very high95.9Very high21 Ų2150.4 Ų50.415%0.14725%0.246CC..THydrogen-bonded Turntrans48.5-129.9179.7-172.20000111Q138Q138-S142 WeakPolarHBondContact O-CA 3.37Å; Q138-S142 PolarHBondContact O-N 3.42Å
143R90.6Very high95.9Very high131 Ų13153 Ų5349%0.49426%0.262SS..THydrogen-bonded Turntrans-101.339.3175.1-59.3-168.9-175.9-157.24.3113.4F141 Q145 D146 V147F141-R143 PolarHBondContact O-N 3.36Å; R143-Q145 VanDerWaalsContact C-N 3.26Å; R143-Q145 PolarHBondContact O-N 3.27Å; R143-D146 HydrophobicContact CB-CB 4.24Å; R143-D146 WeakPolarHBondContact CD-OD2 3.48Å; R143-D146 PolarHBondContact O-N 2.86Å; R143-D146 VanDerWaalsContact O-N 3.16Å; R143-V147 PolarHBondContact O-N 3.18Å
144L95.9Very high96Very high0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-58.4-35.5-176.2-173.159.4000113.7L115 A118 V119 F141 V147 R148 Y189 L232 P235L115-L144 HydrophobicContact CD2-CD1 3.95Å; A118-L144 HydrophobicContact CB-CD2 3.84Å; V119-L144 HydrophobicContact CG2-CD2 4.15Å; V119-L144 HydrophobicContact CG2-CG 3.89Å; F141-L144 HydrophobicContact CD1-CD2 4.17Å; F141-L144 VanDerWaalsContact O-CB 3.23Å; F141-L144 WeakPolarHBondContact O-CB 3.39Å; F141-L144 PolarHBondContact O-N 3.11Å; L144-V147 WeakPolarHBondContact O-CB 3.33Å; L144-V147 PolarHBondContact O-N 3.46Å; L144-R148 PolarHBondContact O-N 2.93Å; L144-Y189 HydrophobicContact CB-CE2 3.88Å; L144-Y189 HydrophobicContact CD1-CE2 3.89Å; L144-Y189 HydrophobicContact CG-CE2 4.46Å; L144-L232 HydrophobicContact CD2-CD2 4.31Å; L144-P235 HydrophobicContact CD1-CG 4.25Å
145Q96.4Very high96Very high66 Ų6644.8 Ų44.831%0.30821%0.214SC..Hα-helixtrans-61.9-45.2176.3-68.7-177.76.700111.8V119 R143 V147 R148 D149V119-Q145 HydrophobicContact CG1-CG 3.79Å; V119-Q145 HydrophobicContact CG2-CG 4.38Å; R143-Q145 VanDerWaalsContact C-N 3.26Å; R143-Q145 PolarHBondContact O-N 3.27Å; Q145-V147 VanDerWaalsContact C-N 3.25Å; Q145-V147 PolarHBondContact O-N 3.45Å; Q145-R148 WeakPolarHBondContact O-CB 3.46Å; Q145-R148 PolarHBondContact O-N 3.39Å; Q145-R148 VanDerWaalsContact O-N 3.14Å; Q145-D149 PolarHBondContact O-N 3.14Å
146D97.6Very high96Very high57 Ų5741.6 Ų41.631%0.30520%0.204SC..Hα-helixtrans-60.8-37.9177.5-59.8-7.3000111.2R143 D149 V150 V185R143-D146 HydrophobicContact CB-CB 4.24Å; R143-D146 WeakPolarHBondContact CD-OD2 3.48Å; R143-D146 PolarHBondContact O-N 2.86Å; R143-D146 VanDerWaalsContact O-N 3.16Å; D146-D149 PolarHBondContact O-N 3.12Å; D146-V150 WeakPolarHBondContact O-CG2 3.36Å; D146-V150 PolarHBondContact O-N 3.37Å; D146-V150 VanDerWaalsContact O-N 3.07Å; D146-V185 HydrophobicContact CB-CB 4.21Å; D146-V185 HydrophobicContact CB-CG1 3.84Å
147V97.9Very high95.9Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-63.1-45.4175.7174.90000111.1Y111 L115 R143 L144 Q145 S151 V185 Y186 Y189 P235Y111-V147 WeakPolarHBondContact OH-CG1 3.29Å; L115-V147 HydrophobicContact CD1-CG1 4.04Å; R143-V147 PolarHBondContact O-N 3.18Å; L144-V147 WeakPolarHBondContact O-CB 3.33Å; L144-V147 PolarHBondContact O-N 3.46Å; Q145-V147 VanDerWaalsContact C-N 3.25Å; Q145-V147 PolarHBondContact O-N 3.45Å; V147-S151 WeakPolarHBondContact O-CB 3.49Å; V147-S151 PolarHBondContact O-N 2.97Å; V147-V185 HydrophobicContact CG2-CB 4.33Å; V147-V185 HydrophobicContact CG2-CG2 4.22Å; V147-Y186 HydrophobicContact CG1-CD1 4.4Å; V147-Y186 HydrophobicContact CG1-CE1 3.73Å; V147-Y186 HydrophobicContact CG1-CE2 4.23Å; V147-Y189 HydrophobicContact CG2-CD2 4.16Å; V147-Y189 HydrophobicContact CG2-CG 4.18Å; V147-P235 HydrophobicContact CG1-CB 4.1Å; V147-P235 HydrophobicContact CG1-CG 3.98Å
148R97.8Very high95.8Very high41 Ų4140.1 Ų40.116%0.15520%0.199CC..Hα-helixtrans-60.5-45.7175.5-177.2-168.366.6175.2-2.8111.9L112 L115 N116 V119 D120 L144 Q145 V150 S151 A152L112-R148 HydrophobicContact CD1-CG 3.89Å; L115-R148 HydrophobicContact CB-CB 4.19Å; L115-R148 HydrophobicContact CB-CG 4.1Å; L115-R148 HydrophobicContact CD1-CB 4.22Å; N116-R148 VanDerWaalsContact OD1-CD 3.29Å; N116-R148 WeakPolarHBondContact OD1-CD 3.3Å; V119-R148 HydrophobicContact CG2-CB 4.19Å; D120-R148 IonicContact OD1-CZ 3.2Å; D120-R148 IonicContact OD1-NH1 3.35Å; D120-R148 PolarHBondContact OD1-NH1 3.02Å; D120-R148 IonicContact OD2-NH1 3.86Å; L144-R148 PolarHBondContact O-N 2.93Å; Q145-R148 WeakPolarHBondContact O-CB 3.46Å; Q145-R148 PolarHBondContact O-N 3.39Å; Q145-R148 VanDerWaalsContact O-N 3.14Å; R148-V150 PolarHBondContact O-N 3.4Å; R148-S151 PolarHBondContact O-N 3.03Å; R148-A152 WeakPolarHBondContact O-CB 3.25Å; R148-A152 PolarHBondContact O-N 3.07Å
149D97.4Very high95.6Very high61 Ų6134.2 Ų34.233%0.32617%0.171SC..Hα-helixtrans-68.3-37.6-175.3-69.7-1.7000112.1Q145 D146 A152 T153Q145-D149 PolarHBondContact O-N 3.14Å; D146-D149 PolarHBondContact O-N 3.12Å; D149-A152 PolarHBondContact O-N 2.71Å; D149-T153 PolarHBondContact O-N 3.43Å; D149-T153 VanDerWaalsContact O-N 3.14Å; D149-T153 PolarHBondContact O-OG1 2.88Å
150V97.7Very high95.4Very high10 Ų1033.4 Ų33.46%0.06117%0.172CC..Hα-helixtrans-66.4-44.3172.2169.40000111.2D146 R148 A152 T153 F154 D181 F182 V185D146-V150 WeakPolarHBondContact O-CG2 3.36Å; D146-V150 PolarHBondContact O-N 3.37Å; D146-V150 VanDerWaalsContact O-N 3.07Å; R148-V150 PolarHBondContact O-N 3.4Å; V150-A152 VanDerWaalsContact C-N 3.31Å; V150-A152 PolarHBondContact O-N 2.81Å; V150-T153 PolarHBondContact O-N 2.91Å; V150-F154 WeakPolarHBondContact O-CB 3.47Å; V150-F154 PolarHBondContact O-N 3.46Å; V150-D181 HydrophobicContact CG1-CB 4.04Å; V150-D181 HydrophobicContact CG2-CB 4.26Å; V150-F182 HydrophobicContact CG1-CD1 3.64Å; V150-F182 HydrophobicContact CG1-CE1 3.84Å; V150-V185 HydrophobicContact CB-CG2 4.09Å; V150-V185 HydrophobicContact CG1-CG2 4.31Å; V150-V185 HydrophobicContact CG2-CB 4.5Å; V150-V185 HydrophobicContact CG2-CG1 3.76Å; V150-V185 HydrophobicContact CG2-CG2 3.96Å
151S96.8Very high95.1Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-60.3-39.6175.5173.40000112.3E108 Y111 V147 R148 T153 F154 L155E108-S151 WeakPolarHBondContact OE1-CB 3.49Å; E108-S151 PolarHBondContact OE1-OG 3.39Å; Y111-S151 WeakPolarHBondContact CD1-OG 3.33Å; V147-S151 WeakPolarHBondContact O-CB 3.49Å; V147-S151 PolarHBondContact O-N 2.97Å; R148-S151 PolarHBondContact O-N 3.03Å; S151-T153 PolarHBondContact O-N 3.03Å; S151-F154 PolarHBondContact O-N 2.86Å; S151-L155 WeakPolarHBondContact O-CB 3.47Å; S151-L155 PolarHBondContact O-N 3.16Å
152A96.7Very high94.8Very high34 Ų3436.2 Ų36.228%0.28119%0.187SC..Hα-helixtrans-62.5-42.4175.600000112.9L112 R148 D149 V150 S156L112-A152 HydrophobicContact CD1-CB 4Å; L112-A152 HydrophobicContact CD2-CB 3.98Å; R148-A152 WeakPolarHBondContact O-CB 3.25Å; R148-A152 PolarHBondContact O-N 3.07Å; D149-A152 PolarHBondContact O-N 2.71Å; V150-A152 VanDerWaalsContact C-N 3.31Å; V150-A152 PolarHBondContact O-N 2.81Å; A152-S156 PolarHBondContact O-N 2.8Å; A152-S156 VanDerWaalsContact O-N 3.12Å
153T96.9Very high94.5Very high67 Ų6738.7 Ų38.741%0.41120%0.196SC..Hα-helixtrans-68.1-45.4177.9-49.30000110.4D149 V150 S151 L155 S156 D157D149-T153 PolarHBondContact O-N 3.43Å; D149-T153 VanDerWaalsContact O-N 3.14Å; D149-T153 PolarHBondContact O-OG1 2.88Å; V150-T153 PolarHBondContact O-N 2.91Å; S151-T153 PolarHBondContact O-N 3.03Å; T153-L155 PolarHBondContact O-N 3.43Å; T153-S156 WeakPolarHBondContact O-CB 3.16Å; T153-S156 PolarHBondContact O-N 3.08Å; T153-S156 VanDerWaalsContact O-N 3.17Å; T153-D157 PolarHBondContact O-N 3.47Å; T153-D157 VanDerWaalsContact O-N 3.1Å
154F97.6Very high94.3Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-58.5-45.4176.6174.3-125.6000112.9L104 E108 V150 S151 S156 D157 L158 V174 V175 H178 F182L104-F154 HydrophobicContact CD2-CZ 4.02Å; E108-F154 HydrophobicContact CB-CE1 4.47Å; E108-F154 HydrophobicContact CG-CD1 3.66Å; E108-F154 HydrophobicContact CG-CE1 3.87Å; E108-F154 WeakPolarHBondContact OE2-CE1 3.44Å; V150-F154 WeakPolarHBondContact O-CB 3.47Å; V150-F154 PolarHBondContact O-N 3.46Å; S151-F154 PolarHBondContact O-N 2.86Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.45Å; F154-D157 PolarHBondContact O-N 2.86Å; F154-L158 HydrophobicContact CD1-CD1 4.12Å; F154-L158 HydrophobicContact CD2-CD1 4.25Å; F154-L158 HydrophobicContact CD2-CG 4.2Å; F154-L158 HydrophobicContact CE1-CD1 3.65Å; F154-L158 HydrophobicContact CE2-CD1 3.8Å; F154-L158 HydrophobicContact CE2-CD2 4.06Å; F154-L158 HydrophobicContact CE2-CG 3.84Å; F154-L158 HydrophobicContact CG-CD1 4.4Å; F154-L158 HydrophobicContact CZ-CD1 3.48Å; F154-L158 VanDerWaalsContact CZ-CD1 3.48Å; F154-L158 HydrophobicContact CZ-CD2 4.26Å; F154-L158 HydrophobicContact CZ-CG 4.04Å; F154-L158 WeakPolarHBondContact O-CG 3.33Å; F154-L158 PolarHBondContact O-N 3.26Å; F154-V174 HydrophobicContact CD2-CG1 4.02Å; F154-V174 HydrophobicContact CE2-CG1 3.98Å; F154-V175 HydrophobicContact CE2-CG2 3.78Å; F154-V175 HydrophobicContact CZ-CG2 3.65Å; F154-H178 HydrophobicContact CD2-CB 4.03Å; F154-H178 AromaticContact CD2-CD2 3.8Å; F154-H178 AromaticContact CD2-CG 3.74Å; F154-F182 HydrophobicContact CB-CE1 4.19Å; F154-F182 HydrophobicContact CB-CZ 4.26Å; F154-F182 HydrophobicContact CD1-CE1 4.23Å; F154-F182 AromaticContact CD1-CZ 3.73Å; F154-F182 HydrophobicContact CD1-CZ 3.73Å; F154-F182 AromaticContact CD2-CZ 3.86Å; F154-F182 HydrophobicContact CD2-CZ 3.86Å; F154-F182 AromaticContact CE1-CZ 3.95Å; F154-F182 HydrophobicContact CE1-CZ 3.95Å; F154-F182 HydrophobicContact CE2-CZ 4.07Å; F154-F182 HydrophobicContact CG-CE1 4.1Å; F154-F182 AromaticContact CG-CZ 3.68Å; F154-F182 HydrophobicContact CG-CZ 3.68Å; F154-F182 HydrophobicContact CZ-CZ 4.1Å
155L95.6Very high93.9Very high1 Ų141.3 Ų41.31%0.00522%0.22CC..Hα-helixtrans-62.2-41.2175.8-179.363000112I12 I105 E108 A109 L112 S151 T153 D157 L158 E159I12-L155 HydrophobicContact CD1-CD2 4.04Å; I12-L155 HydrophobicContact CG1-CD2 3.81Å; I105-L155 HydrophobicContact CG2-CD1 4.3Å; E108-L155 HydrophobicContact CB-CD1 4.03Å; E108-L155 HydrophobicContact CG-CB 3.95Å; E108-L155 HydrophobicContact CG-CD1 4.09Å; A109-L155 HydrophobicContact CB-CD1 4.06Å; A109-L155 HydrophobicContact CB-CD2 3.99Å; L112-L155 HydrophobicContact CB-CD2 4.49Å; L112-L155 HydrophobicContact CD2-CB 4.34Å; L112-L155 HydrophobicContact CD2-CD2 3.65Å; S151-L155 WeakPolarHBondContact O-CB 3.47Å; S151-L155 PolarHBondContact O-N 3.16Å; T153-L155 PolarHBondContact O-N 3.43Å; L155-D157 VanDerWaalsContact C-N 3.32Å; L155-D157 PolarHBondContact O-N 3.37Å; L155-L158 PolarHBondContact O-N 2.9Å; L155-E159 HydrophobicContact CD1-CG 4.17Å; L155-E159 HydrophobicContact CG-CG 4.34Å; L155-E159 WeakPolarHBondContact O-CB 3.23Å; L155-E159 WeakPolarHBondContact O-CG 3.18Å; L155-E159 PolarHBondContact O-N 3.09Å
156S94.4Very high93.5Very high40 Ų4039.9 Ų39.928%0.2821%0.214SC..Hα-helixtrans-58.4-45.5178.4-174.40000111.4A152 T153 F154 E159 E160A152-S156 PolarHBondContact O-N 2.8Å; A152-S156 VanDerWaalsContact O-N 3.12Å; T153-S156 WeakPolarHBondContact O-CB 3.16Å; T153-S156 PolarHBondContact O-N 3.08Å; T153-S156 VanDerWaalsContact O-N 3.17Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.45Å; S156-E159 PolarHBondContact O-N 3.32Å; S156-E160 WeakPolarHBondContact O-CB 3.37Å; S156-E160 PolarHBondContact O-N 3.21Å
157D95.4Very high92.9Very high59 Ų5939.6 Ų39.632%0.31621%0.21SC..Hα-helixtrans-70.3-36.3-178.9-64.4-5.8000111.8T153 F154 L155 E160 N161 V174 H178T153-D157 PolarHBondContact O-N 3.47Å; T153-D157 VanDerWaalsContact O-N 3.1Å; F154-D157 PolarHBondContact O-N 2.86Å; L155-D157 VanDerWaalsContact C-N 3.32Å; L155-D157 PolarHBondContact O-N 3.37Å; D157-E160 PolarHBondContact O-N 3.31Å; D157-N161 PolarHBondContact O-N 2.86Å; D157-V174 HydrophobicContact CB-CG1 3.86Å; D157-H178 IonicContact OD2-CD2 3.28Å; D157-H178 IonicContact OD2-CE1 2.71Å; D157-H178 PolarHBondContact OD2-CE1 3.36Å; D157-H178 IonicContact OD2-NE2 2.98Å; D157-H178 PolarHBondContact OD2-NE2 3.11Å
158L94.2Very high92.3Very high1 Ų142.6 Ų42.61%0.00523%0.231CC..Hα-helixtrans-62.2-45.9172.1-75174.5000112L104 I105 E108 F154 L155 N161 F162 V171 V174L104-L158 HydrophobicContact CD2-CD1 3.61Å; L104-L158 HydrophobicContact CD2-CD2 3.98Å; L104-L158 HydrophobicContact CD2-CG 4.48Å; I105-L158 HydrophobicContact CG1-CB 4.25Å; I105-L158 HydrophobicContact CG1-CD1 4.46Å; I105-L158 HydrophobicContact CG1-CD2 4.47Å; I105-L158 HydrophobicContact CG2-CB 4.4Å; E108-L158 HydrophobicContact CB-CD1 4.29Å; E108-L158 HydrophobicContact CG-CD1 4.38Å; F154-L158 HydrophobicContact CD1-CD1 4.12Å; F154-L158 HydrophobicContact CD2-CD1 4.25Å; F154-L158 HydrophobicContact CD2-CG 4.2Å; F154-L158 HydrophobicContact CE1-CD1 3.65Å; F154-L158 HydrophobicContact CE2-CD1 3.8Å; F154-L158 HydrophobicContact CE2-CD2 4.06Å; F154-L158 HydrophobicContact CE2-CG 3.84Å; F154-L158 HydrophobicContact CG-CD1 4.4Å; F154-L158 HydrophobicContact CZ-CD1 3.48Å; F154-L158 VanDerWaalsContact CZ-CD1 3.48Å; F154-L158 HydrophobicContact CZ-CD2 4.26Å; F154-L158 HydrophobicContact CZ-CG 4.04Å; F154-L158 WeakPolarHBondContact O-CG 3.33Å; F154-L158 PolarHBondContact O-N 3.26Å; L155-L158 PolarHBondContact O-N 2.9Å; L158-N161 PolarHBondContact O-N 3.49Å; L158-F162 WeakPolarHBondContact O-CB 3.42Å; L158-F162 PolarHBondContact O-N 3.02Å; L158-V171 HydrophobicContact CD2-CB 4.1Å; L158-V171 HydrophobicContact CD2-CG1 4.07Å; L158-V174 HydrophobicContact CD2-CB 3.97Å; L158-V174 HydrophobicContact CD2-CG1 3.91Å; L158-V174 HydrophobicContact CD2-CG2 4.38Å; L158-V174 HydrophobicContact CG-CG1 4.09Å
159E90.1Very high91.9Very high13 Ų1340.8 Ų40.86%0.06122%0.224CC..Hα-helixtrans-64.5-40.4178.1-75.4-174.9154.200111.5S9 L11 I105 L155 S156 F162 E163S9-E159 VanDerWaalsContact CA-OE2 3.27Å; S9-E159 WeakPolarHBondContact CA-OE2 3.37Å; S9-E159 WeakPolarHBondContact CB-OE1 3.41Å; S9-E159 WeakPolarHBondContact CB-OE2 3.38Å; S9-E159 VanDerWaalsContact OG-CD 3.27Å; S9-E159 PolarHBondContact OG-OE1 2.93Å; S9-E159 PolarHBondContact OG-OE2 3.48Å; L11-E159 WeakPolarHBondContact CB-OE1 3.22Å; L11-E159 HydrophobicContact CD1-CG 4.08Å; L11-E159 WeakPolarHBondContact CG-OE1 3.25Å; L11-E159 PolarHBondContact N-OE1 3.1Å; I105-E159 HydrophobicContact CG2-CG 4.48Å; L155-E159 HydrophobicContact CD1-CG 4.17Å; L155-E159 HydrophobicContact CG-CG 4.34Å; L155-E159 WeakPolarHBondContact O-CB 3.23Å; L155-E159 WeakPolarHBondContact O-CG 3.18Å; L155-E159 PolarHBondContact O-N 3.09Å; S156-E159 PolarHBondContact O-N 3.32Å; E159-F162 PolarHBondContact O-N 2.77Å; E159-E163 WeakPolarHBondContact O-CB 3.5Å; E159-E163 WeakPolarHBondContact O-CG 3.42Å; E159-E163 PolarHBondContact O-N 3Å
160E89.6Confident91.5Very high98 Ų9840.1 Ų40.146%0.45822%0.219SC..Hα-helixtrans-62.1-47175.9-175.2171.7176.100111.5S156 D157 F162 E163 N164S156-E160 WeakPolarHBondContact O-CB 3.37Å; S156-E160 PolarHBondContact O-N 3.21Å; D157-E160 PolarHBondContact O-N 3.31Å; E160-F162 VanDerWaalsContact C-N 3.32Å; E160-F162 PolarHBondContact O-N 3.49Å; E160-E163 PolarHBondContact O-N 3.4Å; E160-N164 WeakPolarHBondContact O-CB 3.48Å; E160-N164 PolarHBondContact O-N 3.4Å; E160-N164 PolarHBondContact O-ND2 3.07Å
161N89.9Confident91.4Very high40 Ų4039.7 Ų39.721%0.21422%0.217CC..Hα-helixtrans-64.2-39.1178.4-156.824.2000112.2D157 L158 N164 N165 Q170 V174D157-N161 PolarHBondContact O-N 2.86Å; L158-N161 PolarHBondContact O-N 3.49Å; N161-N164 PolarHBondContact O-N 3Å; N161-N165 PolarHBondContact O-N 3.49Å; N161-Q170 PolarHBondContact ND2-N 2.96Å; N161-Q170 PolarHBondContact ND2-O 3.42Å; N161-V174 HydrophobicContact CB-CG2 4.35Å
162F88.4Confident91.3Very high21 Ų2139.7 Ų39.79%0.09222%0.217CC..Hα-helixtrans-64.4-45.7176.1176.2-105.3000112.7W75 I78 F102 I105 L158 E159 E160 N164 N165 I166 F169W75-F162 AromaticContact CD1-CE2 3.9Å; I78-F162 HydrophobicContact CD1-CE1 4.42Å; I78-F162 HydrophobicContact CD1-CZ 3.65Å; F102-F162 HydrophobicContact CD2-CD2 4.34Å; F102-F162 AromaticContact CD2-CE2 3.85Å; F102-F162 HydrophobicContact CD2-CE2 3.85Å; F102-F162 HydrophobicContact CD2-CZ 4.05Å; F102-F162 HydrophobicContact CE2-CE1 4.15Å; F102-F162 HydrophobicContact CE2-CE2 4.07Å; F102-F162 AromaticContact CE2-CZ 3.79Å; F102-F162 HydrophobicContact CE2-CZ 3.79Å; I105-F162 HydrophobicContact CD1-CB 3.79Å; I105-F162 HydrophobicContact CD1-CD2 4.15Å; I105-F162 HydrophobicContact CD1-CG 4.1Å; L158-F162 WeakPolarHBondContact O-CB 3.42Å; L158-F162 PolarHBondContact O-N 3.02Å; E159-F162 PolarHBondContact O-N 2.77Å; E160-F162 VanDerWaalsContact C-N 3.32Å; E160-F162 PolarHBondContact O-N 3.49Å; F162-N164 VanDerWaalsContact C-N 3.31Å; F162-N164 PolarHBondContact O-N 3.24Å; F162-N165 CarbonylContact O-C 3.3Å; F162-N165 VanDerWaalsContact O-C 3.3Å; F162-N165 PolarHBondContact O-N 3.06Å; F162-I166 HydrophobicContact CE1-CG1 4.24Å; F162-I166 HydrophobicContact CE2-CB 4.36Å; F162-I166 HydrophobicContact CE2-CG1 4.41Å; F162-I166 HydrophobicContact CE2-CG2 3.89Å; F162-I166 HydrophobicContact CZ-CB 4.37Å; F162-I166 HydrophobicContact CZ-CG1 4.1Å; F162-I166 HydrophobicContact CZ-CG2 3.76Å; F162-I166 WeakPolarHBondContact O-CA 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.44Å; F162-I166 PolarHBondContact O-N 3.11Å; F162-I166 VanDerWaalsContact O-N 3.16Å; F162-F169 AromaticContact CD2-CD1 3.63Å; F162-F169 HydrophobicContact CD2-CD1 3.63Å; F162-F169 HydrophobicContact CD2-CD2 4.01Å; F162-F169 AromaticContact CD2-CE1 3.64Å; F162-F169 HydrophobicContact CD2-CE1 3.64Å; F162-F169 AromaticContact CD2-CE2 3.99Å; F162-F169 HydrophobicContact CD2-CE2 3.99Å; F162-F169 AromaticContact CD2-CG 3.84Å; F162-F169 HydrophobicContact CD2-CG 3.84Å; F162-F169 AromaticContact CD2-CZ 3.83Å; F162-F169 HydrophobicContact CD2-CZ 3.83Å; F162-F169 HydrophobicContact CE2-CD1 4.03Å; F162-F169 AromaticContact CE2-CE1 3.71Å; F162-F169 HydrophobicContact CE2-CE1 3.71Å; F162-F169 HydrophobicContact CE2-CZ 4.06Å
163E86.8Confident91.2Very high72 Ų7240.3 Ų40.334%0.33622%0.215SC..Hα-helixtrans-66.7-32.8178.8-75.6-177.816000112.5R7 K10 E159 E160R7-E163 IonicContact CZ-OE1 3.65Å; R7-E163 IonicContact CZ-OE2 2.73Å; R7-E163 IonicContact NH1-OE2 3.75Å; R7-E163 PolarHBondContact NH1-OE2 3.45Å; R7-E163 IonicContact NH2-OE1 3.03Å; R7-E163 PolarHBondContact NH2-OE1 3.02Å; R7-E163 IonicContact NH2-OE2 2.82Å; R7-E163 PolarHBondContact NH2-OE2 3.02Å; K10-E163 IonicContact NZ-OE1 3.99Å; K10-E163 PolarHBondContact NZ-OE1 3.14Å; E159-E163 WeakPolarHBondContact O-CB 3.5Å; E159-E163 WeakPolarHBondContact O-CG 3.42Å; E159-E163 PolarHBondContact O-N 3Å; E160-E163 PolarHBondContact O-N 3.4Å
164N87.5Confident91.1Very high117 Ų11737.6 Ų37.663%0.62620%0.199SC*.Hα-helixtrans-63.5-39.7176.7-74.2-25.3000112.2E160 N161 F162E160-N164 WeakPolarHBondContact O-CB 3.48Å; E160-N164 PolarHBondContact O-N 3.4Å; E160-N164 PolarHBondContact O-ND2 3.07Å; N161-N164 PolarHBondContact O-N 3Å; F162-N164 VanDerWaalsContact C-N 3.31Å; F162-N164 PolarHBondContact O-N 3.24Å
165N86.9Confident91.1Very high70 Ų7037.6 Ų37.637%0.37420%0.199SC..  trans-152.892.2175-168.2-24.2000113.5N161 F162 F167 S168 F169N161-N165 PolarHBondContact O-N 3.49Å; F162-N165 CarbonylContact O-C 3.3Å; F162-N165 VanDerWaalsContact O-C 3.3Å; F162-N165 PolarHBondContact O-N 3.06Å; N165-F167 PolarHBondContact O-N 2.9Å; N165-F167 PolarHBondContact OD1-N 2.71Å; N165-F167 VanDerWaalsContact OD1-N 3.15Å; N165-S168 VanDerWaalsContact CG-OG 3.24Å; N165-S168 PolarHBondContact ND2-OG 2.73Å; N165-S168 PolarHBondContact O-N 3.41Å; N165-S168 PolarHBondContact OD1-N 3.44Å; N165-S168 VanDerWaalsContact OD1-N 3.17Å; N165-S168 PolarHBondContact OD1-OG 2.88Å; N165-F169 VanDerWaalsContact O-CB 3.31Å; N165-F169 WeakPolarHBondContact O-CB 3.25Å; N165-F169 PolarHBondContact O-N 3.4Å
166I87.4Confident91Very high36 Ų3639.7 Ų39.719%0.18521%0.21CC..THydrogen-bonded Turntrans-60.3-22.2-176.9-62.2173.1000113.5W75 V81 F162 F169W75-I166 PolarHBondContact NE1-O 3.17Å; V81-I166 HydrophobicContact CG2-CG2 3.34Å; F162-I166 HydrophobicContact CE1-CG1 4.24Å; F162-I166 HydrophobicContact CE2-CB 4.36Å; F162-I166 HydrophobicContact CE2-CG1 4.41Å; F162-I166 HydrophobicContact CE2-CG2 3.89Å; F162-I166 HydrophobicContact CZ-CB 4.37Å; F162-I166 HydrophobicContact CZ-CG1 4.1Å; F162-I166 HydrophobicContact CZ-CG2 3.76Å; F162-I166 WeakPolarHBondContact O-CA 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.44Å; F162-I166 PolarHBondContact O-N 3.11Å; F162-I166 VanDerWaalsContact O-N 3.16Å; I166-F169 WeakPolarHBondContact O-CD1 3.43Å; I166-F169 WeakPolarHBondContact O-CE1 3.4Å
167F85Confident91.1Very high50 Ų5043.7 Ų43.722%0.21923%0.228CC..THydrogen-bonded Turntrans-98.7-19.2-175.1-60.2-75000114.4W75 V81 S84 V86 Q98 N165W75-F167 HydrophobicContact CH2-CD1 4.19Å; W75-F167 AromaticContact CZ2-CD1 3.79Å; W75-F167 HydrophobicContact CZ2-CD1 3.79Å; W75-F167 HydrophobicContact CZ2-CE1 4.33Å; V81-F167 HydrophobicContact CB-CE1 4.39Å; V81-F167 HydrophobicContact CG1-CE1 4.17Å; V81-F167 HydrophobicContact CG2-CE1 4.22Å; S84-F167 WeakPolarHBondContact OG-CE1 3.34Å; V86-F167 HydrophobicContact CB-CD1 3.85Å; V86-F167 HydrophobicContact CB-CE1 3.97Å; V86-F167 HydrophobicContact CB-CG 4.23Å; V86-F167 HydrophobicContact CB-CZ 4.42Å; V86-F167 HydrophobicContact CG1-CB 4.04Å; V86-F167 HydrophobicContact CG1-CD1 3.64Å; V86-F167 HydrophobicContact CG1-CE1 4.28Å; V86-F167 HydrophobicContact CG1-CG 3.84Å; Q98-F167 PolarHBondContact NE2-O 2.93Å; N165-F167 PolarHBondContact O-N 2.9Å; N165-F167 PolarHBondContact OD1-N 2.71Å; N165-F167 VanDerWaalsContact OD1-N 3.15Å
168S85.6Confident91.2Very high64 Ų6441.4 Ų41.445%0.44822%0.215SC..THydrogen-bonded Turntrans-14230.9-177.8770000113.5N165N165-S168 VanDerWaalsContact CG-OG 3.24Å; N165-S168 PolarHBondContact ND2-OG 2.73Å; N165-S168 PolarHBondContact O-N 3.41Å; N165-S168 PolarHBondContact OD1-N 3.44Å; N165-S168 VanDerWaalsContact OD1-N 3.17Å; N165-S168 PolarHBondContact OD1-OG 2.88Å
169F89.8Confident91.3Very high3 Ų342.1 Ų42.11%0.01322%0.221CC..  trans-64.9152.6177.464.7-77.6000111.9W75 K101 F102 I105 F162 N165 I166 V171W75-F169 AromaticContact NE1-CE1 3.85Å; K101-F169 HydrophobicContact CB-CD2 4.44Å; K101-F169 HydrophobicContact CB-CE2 3.53Å; K101-F169 HydrophobicContact CB-CZ 3.73Å; K101-F169 HydrophobicContact CD-CE2 4.48Å; K101-F169 PolarHBondContact NZ-O 3.34Å; F102-F169 HydrophobicContact CB-CZ 4.18Å; I105-F169 HydrophobicContact CD1-CD2 4.08Å; I105-F169 HydrophobicContact CD1-CE2 3.73Å; F162-F169 AromaticContact CD2-CD1 3.63Å; F162-F169 HydrophobicContact CD2-CD1 3.63Å; F162-F169 HydrophobicContact CD2-CD2 4.01Å; F162-F169 AromaticContact CD2-CE1 3.64Å; F162-F169 HydrophobicContact CD2-CE1 3.64Å; F162-F169 AromaticContact CD2-CE2 3.99Å; F162-F169 HydrophobicContact CD2-CE2 3.99Å; F162-F169 AromaticContact CD2-CG 3.84Å; F162-F169 HydrophobicContact CD2-CG 3.84Å; F162-F169 AromaticContact CD2-CZ 3.83Å; F162-F169 HydrophobicContact CD2-CZ 3.83Å; F162-F169 HydrophobicContact CE2-CD1 4.03Å; F162-F169 AromaticContact CE2-CE1 3.71Å; F162-F169 HydrophobicContact CE2-CE1 3.71Å; F162-F169 HydrophobicContact CE2-CZ 4.06Å; N165-F169 VanDerWaalsContact O-CB 3.31Å; N165-F169 WeakPolarHBondContact O-CB 3.25Å; N165-F169 PolarHBondContact O-N 3.4Å; I166-F169 WeakPolarHBondContact O-CD1 3.43Å; I166-F169 WeakPolarHBondContact O-CE1 3.4Å; F169-V171 HydrophobicContact CD2-CG1 3.85Å; F169-V171 HydrophobicContact CE2-CG1 3.91Å
170Q89.8Confident91.6Very high47 Ų4745.8 Ų45.822%0.2225%0.246CC..  trans-113.9151.2175.5-61-60.3-17.500109.7N161 D173 E259N161-Q170 PolarHBondContact ND2-N 2.96Å; N161-Q170 PolarHBondContact ND2-O 3.42Å; Q170-D173 VanDerWaalsContact CB-OD1 3.3Å; Q170-D173 WeakPolarHBondContact CB-OD1 3.45Å; Q170-E259 PolarHBondContact NE2-OE2 3.03Å; Q170-E259 VanDerWaalsContact OE1-CD 3.24Å; Q170-E259 PolarHBondContact OE1-OE2 3.43Å
171V94.6Very high92Very high1 Ų143.9 Ų43.91%0.00624%0.239CC..SBendtrans-129.3-23.3179.7-61.50000111.8K101 L104 I105 L158 F169 D173 V174 V175 I249K101-V171 HydrophobicContact CB-CG1 4.29Å; K101-V171 HydrophobicContact CB-CG2 4.28Å; K101-V171 HydrophobicContact CG-CG2 4.03Å; L104-V171 HydrophobicContact CD1-CB 4.45Å; L104-V171 HydrophobicContact CD1-CG2 4.15Å; I105-V171 HydrophobicContact CD1-CG1 4.36Å; I105-V171 HydrophobicContact CG1-CG1 4.35Å; L158-V171 HydrophobicContact CD2-CB 4.1Å; L158-V171 HydrophobicContact CD2-CG1 4.07Å; F169-V171 HydrophobicContact CD2-CG1 3.85Å; F169-V171 HydrophobicContact CE2-CG1 3.91Å; V171-D173 PolarHBondContact N-OD1 3.2Å; V171-V174 PolarHBondContact O-N 2.98Å; V171-V175 VanDerWaalsContact O-CG2 3.25Å; V171-V175 WeakPolarHBondContact O-CG2 3Å; V171-V175 PolarHBondContact O-N 3.01Å; V171-I249 HydrophobicContact CG2-CD1 3.56Å
172C95.3Very high92.3Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-70.2-37.6-177.1-630000112V175 L176 E262 A263 A266C172-V175 PolarHBondContact O-N 3.5Å; C172-L176 WeakPolarHBondContact O-CB 3.47Å; C172-L176 WeakPolarHBondContact O-CG 3.16Å; C172-L176 PolarHBondContact O-N 3.38Å; C172-E262 HydrophobicContact CB-CB 4.05Å; C172-A263 HydrophobicContact CB-CB 4.47Å; C172-A266 HydrophobicContact CB-CB 4.24Å
173D93.6Very high92.7Very high46 Ų4646.1 Ų46.125%0.24624%0.244CC..Hα-helixtrans-62.9-45.8173.362.8-39.5000111.8Q170 V171 V175 L176 N177Q170-D173 VanDerWaalsContact CB-OD1 3.3Å; Q170-D173 WeakPolarHBondContact CB-OD1 3.45Å; V171-D173 PolarHBondContact N-OD1 3.2Å; D173-V175 PolarHBondContact O-N 2.7Å; D173-L176 WeakPolarHBondContact O-CB 3.46Å; D173-L176 PolarHBondContact O-N 3.1Å; D173-N177 VanDerWaalsContact O-CG 3.25Å; D173-N177 PolarHBondContact O-N 3.18Å; D173-N177 PolarHBondContact O-ND2 3.01Å
174V96.1Very high93.2Very high11 Ų1149.2 Ų49.27%0.06725%0.252CS..Hα-helixtrans-61.7-46.4176.1-174.80000110.1F154 D157 L158 N161 V171 L176 N177 H178F154-V174 HydrophobicContact CD2-CG1 4.02Å; F154-V174 HydrophobicContact CE2-CG1 3.98Å; D157-V174 HydrophobicContact CB-CG1 3.86Å; L158-V174 HydrophobicContact CD2-CB 3.97Å; L158-V174 HydrophobicContact CD2-CG1 3.91Å; L158-V174 HydrophobicContact CD2-CG2 4.38Å; L158-V174 HydrophobicContact CG-CG1 4.09Å; N161-V174 HydrophobicContact CB-CG2 4.35Å; V171-V174 PolarHBondContact O-N 2.98Å; V174-L176 VanDerWaalsContact C-N 3.29Å; V174-L176 PolarHBondContact O-N 3.07Å; V174-N177 PolarHBondContact O-N 3.04Å; V174-H178 PolarHBondContact O-CD2 2.8Å; V174-H178 VanDerWaalsContact O-CD2 3.26Å; V174-H178 PolarHBondContact O-N 3.18Å; V174-H178 VanDerWaalsContact O-N 3.11Å
175V96.6Very high93.6Very high0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-58.8-41.5176170.60000111.8L104 F154 V171 C172 D173 H178 A179 F182 L246 A266 L270L104-V175 HydrophobicContact CD1-CG2 4.32Å; F154-V175 HydrophobicContact CE2-CG2 3.78Å; F154-V175 HydrophobicContact CZ-CG2 3.65Å; V171-V175 VanDerWaalsContact O-CG2 3.25Å; V171-V175 WeakPolarHBondContact O-CG2 3Å; V171-V175 PolarHBondContact O-N 3.01Å; C172-V175 PolarHBondContact O-N 3.5Å; D173-V175 PolarHBondContact O-N 2.7Å; V175-H178 PolarHBondContact O-N 3.36Å; V175-A179 PolarHBondContact O-N 3.27Å; V175-F182 HydrophobicContact CG1-CE2 4.5Å; V175-L246 HydrophobicContact CG1-CD1 3.91Å; V175-L246 HydrophobicContact CG1-CD2 4.49Å; V175-L246 HydrophobicContact CG2-CD2 4.35Å; V175-A266 HydrophobicContact CB-CB 4.41Å; V175-A266 HydrophobicContact CG1-CB 4.12Å; V175-L270 HydrophobicContact CG1-CD1 4.41Å
176L94.8Very high94Very high45 Ų4540.4 Ų40.424%0.23621%0.205CC..Hα-helixtrans-62.6-44.8177.6-83.1168.7000112.6C172 D173 V174 H178 A179 K265 A266 A269C172-L176 WeakPolarHBondContact O-CB 3.47Å; C172-L176 WeakPolarHBondContact O-CG 3.16Å; C172-L176 PolarHBondContact O-N 3.38Å; D173-L176 WeakPolarHBondContact O-CB 3.46Å; D173-L176 PolarHBondContact O-N 3.1Å; V174-L176 VanDerWaalsContact C-N 3.29Å; V174-L176 PolarHBondContact O-N 3.07Å; L176-H178 PolarHBondContact O-N 3.32Å; L176-A179 WeakPolarHBondContact O-CB 3.39Å; L176-A179 PolarHBondContact O-N 3.38Å; L176-K265 HydrophobicContact CD1-CB 3.79Å; L176-K265 HydrophobicContact CD2-CB 3.8Å; L176-K265 HydrophobicContact CG-CB 4.38Å; L176-A266 HydrophobicContact CD1-CB 4.34Å; L176-A266 HydrophobicContact CD2-CB 4.21Å; L176-A266 HydrophobicContact CG-CB 3.8Å; L176-A269 HydrophobicContact CD2-CB 4.41Å
177N96.3Very high94.4Very high124 Ų12440.1 Ų40.166%0.66320%0.204SC*.Hα-helixtrans-62-33.9178.4-67.9-24000111.7D173 V174 P180D173-N177 VanDerWaalsContact O-CG 3.25Å; D173-N177 PolarHBondContact O-N 3.18Å; D173-N177 PolarHBondContact O-ND2 3.01Å; V174-N177 PolarHBondContact O-N 3.04Å; N177-P180 WeakPolarHBondContact O-CD 3.45Å
178H97.5Very high94.8Very high11 Ų1139.5 Ų39.55%0.05121%0.205CC..Hα-helixtrans-86.8-11.6178.4-80-91.8000114.7F154 D157 V174 V175 L176 P180 D181 F182F154-H178 HydrophobicContact CD2-CB 4.03Å; F154-H178 AromaticContact CD2-CD2 3.8Å; F154-H178 AromaticContact CD2-CG 3.74Å; D157-H178 IonicContact OD2-CD2 3.28Å; D157-H178 IonicContact OD2-CE1 2.71Å; D157-H178 PolarHBondContact OD2-CE1 3.36Å; D157-H178 IonicContact OD2-NE2 2.98Å; D157-H178 PolarHBondContact OD2-NE2 3.11Å; V174-H178 PolarHBondContact O-CD2 2.8Å; V174-H178 VanDerWaalsContact O-CD2 3.26Å; V174-H178 PolarHBondContact O-N 3.18Å; V174-H178 VanDerWaalsContact O-N 3.11Å; V175-H178 PolarHBondContact O-N 3.36Å; L176-H178 PolarHBondContact O-N 3.32Å; H178-P180 VanDerWaalsContact C-CD 3.47Å; H178-D181 PolarHBondContact O-N 2.83Å; H178-F182 HydrophobicContact CB-CD1 4.48Å; H178-F182 HydrophobicContact CB-CD2 4.5Å; H178-F182 HydrophobicContact CB-CE1 3.96Å; H178-F182 HydrophobicContact CB-CE2 3.98Å; H178-F182 HydrophobicContact CB-CZ 3.69Å; H178-F182 WeakPolarHBondContact O-CG 3.42Å; H178-F182 PolarHBondContact O-N 3.41Å
179A96.1Very high95.2Very high16 Ų1636.4 Ų36.413%0.13218%0.184CC..Hα-helixtrans-56.3-39.5-176.800000114.5V175 L176 D181 F182 R183 A269V175-A179 PolarHBondContact O-N 3.27Å; L176-A179 WeakPolarHBondContact O-CB 3.39Å; L176-A179 PolarHBondContact O-N 3.38Å; A179-D181 PolarHBondContact O-N 3.25Å; A179-F182 PolarHBondContact O-N 2.65Å; A179-R183 PolarHBondContact O-N 3.34Å; A179-A269 HydrophobicContact CB-CB 3.9Å
180P96.9Very high95.4Very high89 Ų8936.5 Ų36.558%0.57818%0.184SC*.Hα-helixtrans-62.3-39.7174.3-23.335.2000113.2N177 H178 R183 R184N177-P180 WeakPolarHBondContact O-CD 3.45Å; H178-P180 VanDerWaalsContact C-CD 3.47Å; P180-R183 WeakPolarHBondContact O-CB 3.47Å; P180-R183 PolarHBondContact O-N 3.36Å; P180-R184 PolarHBondContact O-N 3.31Å
181D97.2Very high95.5Very high59 Ų5934.9 Ų34.932%0.31618%0.178SC..Hα-helixtrans-70.7-39.6177.4-81.3-47.6000111.9V150 H178 A179 R183 R184 V185V150-D181 HydrophobicContact CG1-CB 4.04Å; V150-D181 HydrophobicContact CG2-CB 4.26Å; H178-D181 PolarHBondContact O-N 2.83Å; A179-D181 PolarHBondContact O-N 3.25Å; D181-R183 VanDerWaalsContact C-N 3.28Å; D181-R183 PolarHBondContact O-N 2.75Å; D181-R184 WeakPolarHBondContact O-CB 3.46Å; D181-R184 PolarHBondContact O-N 3.06Å; D181-R184 VanDerWaalsContact O-N 3.15Å; D181-R184 IonicContact OD1-CZ 3.07Å; D181-R184 IonicContact OD1-NE 2.75Å; D181-R184 PolarHBondContact OD1-NE 2.84Å; D181-R184 VanDerWaalsContact OD1-NE 3.09Å; D181-R184 IonicContact OD1-NH2 2.65Å; D181-R184 PolarHBondContact OD1-NH2 3.17Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 3.15Å; D181-V185 VanDerWaalsContact O-N 3.11Å
182F97.1Very high95.3Very high2 Ų237.7 Ų37.71%0.00919%0.193CC..Hα-helixtrans-56-47.2170.7-64.3-20.7000110.9V150 F154 V175 H178 A179 R184 V185 Y186 L270 L273V150-F182 HydrophobicContact CG1-CD1 3.64Å; V150-F182 HydrophobicContact CG1-CE1 3.84Å; F154-F182 HydrophobicContact CB-CE1 4.19Å; F154-F182 HydrophobicContact CB-CZ 4.26Å; F154-F182 HydrophobicContact CD1-CE1 4.23Å; F154-F182 AromaticContact CD1-CZ 3.73Å; F154-F182 HydrophobicContact CD1-CZ 3.73Å; F154-F182 AromaticContact CD2-CZ 3.86Å; F154-F182 HydrophobicContact CD2-CZ 3.86Å; F154-F182 AromaticContact CE1-CZ 3.95Å; F154-F182 HydrophobicContact CE1-CZ 3.95Å; F154-F182 HydrophobicContact CE2-CZ 4.07Å; F154-F182 HydrophobicContact CG-CE1 4.1Å; F154-F182 AromaticContact CG-CZ 3.68Å; F154-F182 HydrophobicContact CG-CZ 3.68Å; F154-F182 HydrophobicContact CZ-CZ 4.1Å; V175-F182 HydrophobicContact CG1-CE2 4.5Å; H178-F182 HydrophobicContact CB-CD1 4.48Å; H178-F182 HydrophobicContact CB-CD2 4.5Å; H178-F182 HydrophobicContact CB-CE1 3.96Å; H178-F182 HydrophobicContact CB-CE2 3.98Å; H178-F182 HydrophobicContact CB-CZ 3.69Å; H178-F182 WeakPolarHBondContact O-CG 3.42Å; H178-F182 PolarHBondContact O-N 3.41Å; A179-F182 PolarHBondContact O-N 2.65Å; F182-R184 VanDerWaalsContact C-N 3.32Å; F182-R184 PolarHBondContact O-N 3.48Å; F182-V185 PolarHBondContact O-N 2.95Å; F182-Y186 HydrophobicContact CB-CD2 4.09Å; F182-Y186 HydrophobicContact CB-CE2 4.44Å; F182-Y186 HydrophobicContact CD1-CD2 4.33Å; F182-Y186 AromaticContact CD1-CE2 3.85Å; F182-Y186 HydrophobicContact CD1-CE2 3.85Å; F182-Y186 HydrophobicContact CG-CE2 4.41Å; F182-Y186 VanDerWaalsContact O-CB 3.3Å; F182-Y186 WeakPolarHBondContact O-CB 3.5Å; F182-Y186 VanDerWaalsContact O-CD2 3.31Å; F182-Y186 WeakPolarHBondContact O-CD2 3.34Å; F182-Y186 PolarHBondContact O-N 2.91Å; F182-L270 HydrophobicContact CD2-CD2 3.89Å; F182-L270 HydrophobicContact CE2-CD2 4.47Å; F182-L273 HydrophobicContact CB-CD2 3.79Å
183R96.2Very high95Very high106 Ų10639.8 Ų39.840%0.420%0.202SC..Hα-helixtrans-58.9-44176.5-173.9-176.7-172.181.12.3112.1A179 P180 D181 V185 L187 L273 D276A179-R183 PolarHBondContact O-N 3.34Å; P180-R183 WeakPolarHBondContact O-CB 3.47Å; P180-R183 PolarHBondContact O-N 3.36Å; D181-R183 VanDerWaalsContact C-N 3.28Å; D181-R183 PolarHBondContact O-N 2.75Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 2.92Å; R183-L187 WeakPolarHBondContact O-CB 3.49Å; R183-L187 PolarHBondContact O-N 2.92Å; R183-L273 HydrophobicContact CB-CD1 4.17Å; R183-L273 HydrophobicContact CG-CD1 4.19Å; R183-D276 IonicContact CZ-OD2 3.71Å; R183-D276 IonicContact NH1-OD2 3.72Å; R183-D276 PolarHBondContact NH1-OD2 2.89Å; R183-D276 IonicContact NH2-OD2 3.35Å; R183-D276 PolarHBondContact NH2-OD2 3.02Å
184R96.3Very high94.7Very high136 Ų13639.4 Ų39.451%0.51320%0.202SC..Hα-helixtrans-62-37.2-178.1-176.3174.659.679.40.5113.2P180 D181 F182 P188P180-R184 PolarHBondContact O-N 3.31Å; D181-R184 WeakPolarHBondContact O-CB 3.46Å; D181-R184 PolarHBondContact O-N 3.06Å; D181-R184 VanDerWaalsContact O-N 3.15Å; D181-R184 IonicContact OD1-CZ 3.07Å; D181-R184 IonicContact OD1-NE 2.75Å; D181-R184 PolarHBondContact OD1-NE 2.84Å; D181-R184 VanDerWaalsContact OD1-NE 3.09Å; D181-R184 IonicContact OD1-NH2 2.65Å; D181-R184 PolarHBondContact OD1-NH2 3.17Å; F182-R184 VanDerWaalsContact C-N 3.32Å; F182-R184 PolarHBondContact O-N 3.48Å; R184-P188 WeakPolarHBondContact O-CD 3.42Å; R184-P188 WeakPolarHBondContact O-CG 3.09Å
185V96.6Very high94.3Very high1 Ų141.8 Ų41.81%0.00621%0.21CC..Hα-helixtrans-103-40.8-173.2-53.50000113.9D146 V147 V150 D181 F182 R183 P188 Y189D146-V185 HydrophobicContact CB-CB 4.21Å; D146-V185 HydrophobicContact CB-CG1 3.84Å; V147-V185 HydrophobicContact CG2-CB 4.33Å; V147-V185 HydrophobicContact CG2-CG2 4.22Å; V150-V185 HydrophobicContact CB-CG2 4.09Å; V150-V185 HydrophobicContact CG1-CG2 4.31Å; V150-V185 HydrophobicContact CG2-CB 4.5Å; V150-V185 HydrophobicContact CG2-CG1 3.76Å; V150-V185 HydrophobicContact CG2-CG2 3.96Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 3.15Å; D181-V185 VanDerWaalsContact O-N 3.11Å; F182-V185 PolarHBondContact O-N 2.95Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 2.92Å; V185-P188 WeakPolarHBondContact O-CD 3.47Å; V185-P188 WeakPolarHBondContact O-CG 3.49Å; V185-Y189 WeakPolarHBondContact O-CB 3.4Å; V185-Y189 PolarHBondContact O-N 2.87Å
186Y96.1Very high94.2Very high2 Ų242 Ų421%0.00821%0.211CC..Hα-helixtrans-76.1-37.9-176.6-72-99.3000112.1Y111 V147 F182 Y189 V190 P235 I239Y111-Y186 VanDerWaalsContact CE1-OH 3.31Å; Y111-Y186 WeakPolarHBondContact CE1-OH 3.45Å; Y111-Y186 WeakPolarHBondContact OH-CE1 3.37Å; Y111-Y186 PolarHBondContact OH-OH 3.39Å; Y111-Y186 VanDerWaalsContact OH-OH 3.07Å; V147-Y186 HydrophobicContact CG1-CD1 4.4Å; V147-Y186 HydrophobicContact CG1-CE1 3.73Å; V147-Y186 HydrophobicContact CG1-CE2 4.23Å; F182-Y186 HydrophobicContact CB-CD2 4.09Å; F182-Y186 HydrophobicContact CB-CE2 4.44Å; F182-Y186 HydrophobicContact CD1-CD2 4.33Å; F182-Y186 AromaticContact CD1-CE2 3.85Å; F182-Y186 HydrophobicContact CD1-CE2 3.85Å; F182-Y186 HydrophobicContact CG-CE2 4.41Å; F182-Y186 VanDerWaalsContact O-CB 3.3Å; F182-Y186 WeakPolarHBondContact O-CB 3.5Å; F182-Y186 VanDerWaalsContact O-CD2 3.31Å; F182-Y186 WeakPolarHBondContact O-CD2 3.34Å; F182-Y186 PolarHBondContact O-N 2.91Å; Y186-Y189 PolarHBondContact O-N 3.49Å; Y186-V190 WeakPolarHBondContact O-CB 3.26Å; Y186-V190 VanDerWaalsContact O-CG2 3.31Å; Y186-V190 WeakPolarHBondContact O-CG2 3.4Å; Y186-V190 PolarHBondContact O-N 2.9Å; Y186-P235 HydrophobicContact CD1-CB 3.77Å; Y186-P235 WeakPolarHBondContact CD1-O 3.31Å; Y186-P235 HydrophobicContact CE1-CB 3.76Å; Y186-P235 WeakPolarHBondContact CE1-O 3.48Å; Y186-I239 HydrophobicContact CD1-CG2 3.44Å; Y186-I239 VanDerWaalsContact CD1-CG2 3.44Å; Y186-I239 HydrophobicContact CD2-CG2 4.38Å; Y186-I239 HydrophobicContact CE1-CG2 3.77Å; Y186-I239 HydrophobicContact CG-CG2 3.78Å
187L94.6Very high94Very high30 Ų3043 Ų4316%0.15721%0.214CC..Hα-helixtrans-55.6-55-179.9-177.663.4000112.8R183 Y189 T191 L273 D276 C277R183-L187 WeakPolarHBondContact O-CB 3.49Å; R183-L187 PolarHBondContact O-N 2.92Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.34Å; L187-T191 VanDerWaalsContact O-CB 3.24Å; L187-T191 WeakPolarHBondContact O-CB 3.37Å; L187-T191 PolarHBondContact O-N 3.5Å; L187-T191 PolarHBondContact O-OG1 3.3Å; L187-L273 HydrophobicContact CB-CD1 4.14Å; L187-D276 HydrophobicContact CD1-CB 4.09Å; L187-C277 HydrophobicContact CD1-CB 4.24Å
188P93.6Very high93.8Very high36 Ų3643 Ų4323%0.23421%0.205CC..Hα-helixtrans-67.2-33177.126.2-34.6000112.7R184 V185 N192R184-P188 WeakPolarHBondContact O-CD 3.42Å; R184-P188 WeakPolarHBondContact O-CG 3.09Å; V185-P188 WeakPolarHBondContact O-CD 3.47Å; V185-P188 WeakPolarHBondContact O-CG 3.49Å; P188-N192 WeakPolarHBondContact O-CB 3.37Å; P188-N192 VanDerWaalsContact O-CG 3.3Å; P188-N192 PolarHBondContact O-N 3.28Å; P188-N192 PolarHBondContact O-ND2 3.01Å
189Y95.2Very high93.7Very high0 Ų043.1 Ų43.10%021%0.206CC..Hα-helixtrans-63.1-52.8178.4-175.6-82.7000111.7L144 V147 V185 Y186 L187 N192 Q193 Q196 L232 P235L144-Y189 HydrophobicContact CB-CE2 3.88Å; L144-Y189 HydrophobicContact CD1-CE2 3.89Å; L144-Y189 HydrophobicContact CG-CE2 4.46Å; V147-Y189 HydrophobicContact CG2-CD2 4.16Å; V147-Y189 HydrophobicContact CG2-CG 4.18Å; V185-Y189 WeakPolarHBondContact O-CB 3.4Å; V185-Y189 PolarHBondContact O-N 2.87Å; Y186-Y189 PolarHBondContact O-N 3.49Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.34Å; Y189-N192 PolarHBondContact O-N 3.29Å; Y189-Q193 PolarHBondContact O-N 3.31Å; Y189-Q196 PolarHBondContact O-NE2 2.96Å; Y189-Q196 PolarHBondContact OH-OE1 3Å; Y189-L232 WeakPolarHBondContact CE1-O 3.31Å; Y189-L232 PolarHBondContact OH-O 3.39Å; Y189-P235 HydrophobicContact CD1-CB 3.71Å; Y189-P235 HydrophobicContact CD1-CG 3.88Å; Y189-P235 HydrophobicContact CE1-CB 3.76Å; Y189-P235 HydrophobicContact CE1-CG 3.45Å; Y189-P235 VanDerWaalsContact CE1-CG 3.45Å; Y189-P235 HydrophobicContact CG-CB 4.49Å
190V93.1Very high93.8Very high4 Ų443.1 Ų43.12%0.02420%0.204CC..Hα-helixtrans-66.3-40.4-179175.60000110.9Y186 N192 Q193 F236 I239 C277Y186-V190 WeakPolarHBondContact O-CB 3.26Å; Y186-V190 VanDerWaalsContact O-CG2 3.31Å; Y186-V190 WeakPolarHBondContact O-CG2 3.4Å; Y186-V190 PolarHBondContact O-N 2.9Å; V190-N192 PolarHBondContact O-N 3.08Å; V190-Q193 WeakPolarHBondContact O-CB 3.41Å; V190-Q193 PolarHBondContact O-N 2.94Å; V190-F236 HydrophobicContact CG1-CB 4.49Å; V190-F236 HydrophobicContact CG1-CD2 3.65Å; V190-F236 HydrophobicContact CG1-CE2 4.32Å; V190-F236 HydrophobicContact CG1-CG 4.38Å; V190-F236 HydrophobicContact CG2-CB 4.09Å; V190-F236 HydrophobicContact CG2-CD2 4.24Å; V190-I239 HydrophobicContact CG2-CD1 4.34Å; V190-C277 HydrophobicContact CB-CB 4.26Å; V190-C277 HydrophobicContact CG1-CB 3.84Å
191T91Very high93.7Very high14 Ų1442.4 Ų42.49%0.08619%0.193CC..Hα-helixtrans-56.5-39.2176-60.90000111.6L187 Q193 N280 M284L187-T191 VanDerWaalsContact O-CB 3.24Å; L187-T191 WeakPolarHBondContact O-CB 3.37Å; L187-T191 PolarHBondContact O-N 3.5Å; L187-T191 PolarHBondContact O-OG1 3.3Å; T191-Q193 VanDerWaalsContact C-N 3.31Å; T191-Q193 PolarHBondContact O-N 3.46Å; T191-N280 HydrophobicContact CG2-CB 3.96Å; T191-N280 WeakPolarHBondContact OG1-CB 3.47Å; T191-M284 HydrophobicContact CG2-CG 4.42Å; T191-M284 HydrophobicContact CG2-SD 3.29Å; T191-M284 WeakPolarHBondContact CG2-SD 3.4Å
192N90.7Very high93.7Very high60 Ų6042.6 Ų42.632%0.32120%0.198SC..THydrogen-bonded Turntrans-81.5-2.4179.7-70.5-18.6000114.6P188 Y189 V190 T194 Y195 Q196P188-N192 WeakPolarHBondContact O-CB 3.37Å; P188-N192 VanDerWaalsContact O-CG 3.3Å; P188-N192 PolarHBondContact O-N 3.28Å; P188-N192 PolarHBondContact O-ND2 3.01Å; Y189-N192 PolarHBondContact O-N 3.29Å; V190-N192 PolarHBondContact O-N 3.08Å; N192-T194 PolarHBondContact O-N 3.42Å; N192-Y195 WeakPolarHBondContact O-CB 3.24Å; N192-Y195 PolarHBondContact O-N 3.36Å; N192-Q196 PolarHBondContact O-N 3.17Å
193Q89.9Confident93.7Very high44 Ų4442.6 Ų42.621%0.20620%0.198CC..Hα-helixtrans-61.6-31.3-173.1-171.9169.128.400113.5Y189 V190 T191 Y195 Q196 E197Y189-Q193 PolarHBondContact O-N 3.31Å; V190-Q193 WeakPolarHBondContact O-CB 3.41Å; V190-Q193 PolarHBondContact O-N 2.94Å; T191-Q193 VanDerWaalsContact C-N 3.31Å; T191-Q193 PolarHBondContact O-N 3.46Å; Q193-Y195 VanDerWaalsContact C-N 3.31Å; Q193-Y195 PolarHBondContact O-N 3.2Å; Q193-Q196 WeakPolarHBondContact O-CB 3.45Å; Q193-Q196 PolarHBondContact O-N 2.98Å; Q193-E197 PolarHBondContact O-N 3.49Å
194T86.8Confident93.7Very high38 Ų3840.2 Ų40.223%0.23319%0.193CC..Hα-helixtrans-65.2-37175.4-56.50000111.2N192 R198N192-T194 PolarHBondContact O-N 3.42Å; T194-R198 WeakPolarHBondContact O-CG 3.48Å; T194-R198 PolarHBondContact O-N 3.46Å; T194-R198 VanDerWaalsContact O-N 3.1Å
195Y88.3Confident93.7Very high61 Ų6139.5 Ų39.524%0.23920%0.199CC..Hα-helixtrans-73.6-36.7175.6-61-80.9000111.9N192 Q193 R198 T199 M284 E288N192-Y195 WeakPolarHBondContact O-CB 3.24Å; N192-Y195 PolarHBondContact O-N 3.36Å; Q193-Y195 VanDerWaalsContact C-N 3.31Å; Q193-Y195 PolarHBondContact O-N 3.2Å; Y195-R198 PolarHBondContact O-N 2.74Å; Y195-T199 VanDerWaalsContact O-CB 3.27Å; Y195-T199 WeakPolarHBondContact O-CB 3.42Å; Y195-T199 PolarHBondContact O-N 3.21Å; Y195-T199 PolarHBondContact O-OG1 3.28Å; Y195-M284 HydrophobicContact CD2-CE 4.43Å; Y195-M284 HydrophobicContact CE2-CE 3.35Å; Y195-M284 HydrophobicContact CE2-SD 4.19Å; Y195-E288 PolarHBondContact OH-OE1 3.48Å
196Q93.7Very high93.6Very high4 Ų444 Ų442%0.01923%0.23CC..Hα-helixtrans-55.9-51.5172.1-69.5169.937.200110.6W139 L140 Y189 N192 Q193 T199 F200W139-Q196 WeakPolarHBondContact O-CA 3.46Å; W139-Q196 WeakPolarHBondContact O-CG 3.5Å; L140-Q196 WeakPolarHBondContact O-CG 3.39Å; Y189-Q196 PolarHBondContact O-NE2 2.96Å; Y189-Q196 PolarHBondContact OH-OE1 3Å; N192-Q196 PolarHBondContact O-N 3.17Å; Q193-Q196 WeakPolarHBondContact O-CB 3.45Å; Q193-Q196 PolarHBondContact O-N 2.98Å; Q196-T199 PolarHBondContact O-N 3.25Å; Q196-F200 WeakPolarHBondContact O-CB 3.5Å; Q196-F200 PolarHBondContact O-N 3.34Å
197E91.6Very high93.6Very high65 Ų6545.8 Ų45.830%0.30424%0.24SC..Hα-helixtrans-63.2-46.2180-177.766.4-147.600111.8Q193 T199 F200 Q201 K229Q193-E197 PolarHBondContact O-N 3.49Å; E197-T199 VanDerWaalsContact C-N 3.31Å; E197-T199 PolarHBondContact O-N 3.45Å; E197-F200 PolarHBondContact O-N 3.36Å; E197-Q201 HydrophobicContact CG-CG 4.49Å; E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.47Å; E197-Q201 PolarHBondContact O-N 3.37Å; E197-Q201 WeakPolarHBondContact OE1-CG 3.36Å; E197-Q201 PolarHBondContact OE1-NE2 3.01Å; E197-K229 VanDerWaalsContact CD-NZ 3.29Å; E197-K229 IonicContact OE1-NZ 2.59Å; E197-K229 PolarHBondContact OE1-NZ 3.26Å; E197-K229 WeakPolarHBondContact OE2-CE 3.39Å; E197-K229 IonicContact OE2-NZ 2.71Å; E197-K229 PolarHBondContact OE2-NZ 3.3Å
198R92Very high93.7Very high126 Ų12647.5 Ų47.548%0.47525%0.254SS..Hα-helixtrans-59-43.2176.6-74.1176-178.6167.31.2111.5T194 Y195 S202 E288T194-R198 WeakPolarHBondContact O-CG 3.48Å; T194-R198 PolarHBondContact O-N 3.46Å; T194-R198 VanDerWaalsContact O-N 3.1Å; Y195-R198 PolarHBondContact O-N 2.74Å; R198-S202 WeakPolarHBondContact O-CB 3.27Å; R198-S202 PolarHBondContact O-N 2.92Å; R198-E288 IonicContact CZ-OE2 3.89Å; R198-E288 IonicContact NH1-OE1 3.38Å; R198-E288 PolarHBondContact NH1-OE1 3.2Å; R198-E288 VanDerWaalsContact NH1-OE1 3.09Å; R198-E288 IonicContact NH1-OE2 2.9Å; R198-E288 PolarHBondContact NH1-OE2 3.17Å; R198-E288 IonicContact NH2-OE2 2.72Å; R198-E288 PolarHBondContact NH2-OE2 3.4Å
199T95.6Very high93.9Very high12 Ų1249.6 Ų49.67%0.07426%0.264CS..Hα-helixtrans-65.3-47.5178.9-56.50000110.8E136 W139 L140 Y195 Q196 E197 Q201 S202 L203E136-T199 HydrophobicContact CB-CG2 4.26Å; E136-T199 HydrophobicContact CG-CG2 4.36Å; W139-T199 HydrophobicContact CB-CG2 4.28Å; L140-T199 HydrophobicContact CB-CG2 4.5Å; Y195-T199 VanDerWaalsContact O-CB 3.27Å; Y195-T199 WeakPolarHBondContact O-CB 3.42Å; Y195-T199 PolarHBondContact O-N 3.21Å; Y195-T199 PolarHBondContact O-OG1 3.28Å; Q196-T199 PolarHBondContact O-N 3.25Å; E197-T199 VanDerWaalsContact C-N 3.31Å; E197-T199 PolarHBondContact O-N 3.45Å; T199-Q201 PolarHBondContact O-N 2.98Å; T199-S202 PolarHBondContact O-N 3.27Å; T199-L203 HydrophobicContact CG2-CD1 3.9Å; T199-L203 HydrophobicContact CG2-CG 4.44Å; T199-L203 WeakPolarHBondContact O-CB 3.35Å; T199-L203 VanDerWaalsContact O-CG 3.28Å; T199-L203 WeakPolarHBondContact O-CG 3.5Å; T199-L203 PolarHBondContact O-N 3.02Å
200F96.6Very high94Very high17 Ų1749.6 Ų49.68%0.07526%0.264CS..Hα-helixtrans-56.9-49176.2-177.5-94.3000111.7L140 Q196 E197 S202 L203 M204 F210 L214 L228 K229L140-F200 HydrophobicContact CD1-CB 3.93Å; L140-F200 HydrophobicContact CD1-CD2 3.96Å; L140-F200 HydrophobicContact CD1-CG 4.45Å; Q196-F200 WeakPolarHBondContact O-CB 3.5Å; Q196-F200 PolarHBondContact O-N 3.34Å; E197-F200 PolarHBondContact O-N 3.36Å; F200-S202 PolarHBondContact O-N 3.39Å; F200-L203 PolarHBondContact O-N 2.95Å; F200-M204 HydrophobicContact CD1-CG 4.08Å; F200-M204 HydrophobicContact CE1-CG 3.72Å; F200-M204 HydrophobicContact CE1-SD 4.49Å; F200-M204 HydrophobicContact CE2-CG 4.48Å; F200-M204 HydrophobicContact CZ-CG 3.94Å; F200-M204 HydrophobicContact CZ-SD 4.16Å; F200-M204 VanDerWaalsContact O-CG 3.31Å; F200-M204 WeakPolarHBondContact O-CG 3.36Å; F200-M204 PolarHBondContact O-N 3.24Å; F200-F210 HydrophobicContact CD2-CZ 4.38Å; F200-F210 HydrophobicContact CE2-CE1 4.48Å; F200-F210 HydrophobicContact CE2-CZ 4.42Å; F200-L214 HydrophobicContact CE2-CD2 3.72Å; F200-L214 HydrophobicContact CZ-CD2 3.95Å; F200-L228 HydrophobicContact CE2-CD2 4.29Å; F200-K229 HydrophobicContact CE1-CB 4.27Å; F200-K229 HydrophobicContact CE1-CD 4.38Å; F200-K229 HydrophobicContact CZ-CB 4.25Å
201Q96.1Very high94.2Very high74 Ų7454.7 Ų54.735%0.34628%0.283SS..Hα-helixtrans-62.7-42178-67.6-60.4-25.300112.4E197 T199 L203 M204 N205E197-Q201 HydrophobicContact CG-CG 4.49Å; E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.47Å; E197-Q201 PolarHBondContact O-N 3.37Å; E197-Q201 WeakPolarHBondContact OE1-CG 3.36Å; E197-Q201 PolarHBondContact OE1-NE2 3.01Å; T199-Q201 PolarHBondContact O-N 2.98Å; Q201-L203 PolarHBondContact O-N 2.98Å; Q201-M204 PolarHBondContact O-N 3.29Å; Q201-N205 WeakPolarHBondContact O-CB 3.49Å; Q201-N205 VanDerWaalsContact O-CG 3.27Å; Q201-N205 PolarHBondContact O-N 3.23Å; Q201-N205 PolarHBondContact O-ND2 3.47Å; Q201-N205 VanDerWaalsContact O-ND2 3.11Å
202S96.6Very high94.6Very high62 Ų6260.1 Ų60.143%0.43431%0.307SS..Hα-helixtrans-60-46176.5-175.50000111.8R198 T199 F200 N205 S206R198-S202 WeakPolarHBondContact O-CB 3.27Å; R198-S202 PolarHBondContact O-N 2.92Å; T199-S202 PolarHBondContact O-N 3.27Å; F200-S202 PolarHBondContact O-N 3.39Å; S202-N205 PolarHBondContact O-N 2.72Å; S202-S206 VanDerWaalsContact O-CB 3.24Å; S202-S206 WeakPolarHBondContact O-CB 3.33Å; S202-S206 PolarHBondContact O-N 2.77Å; S202-S206 PolarHBondContact O-OG 3.31Å
203L96.7Very high94.9Very high3 Ų358.4 Ų58.42%0.01630%0.299CS..Hα-helixtrans-63.3-45177.9-72.3166.5000111.7L132 E136 L140 T199 F200 Q201 N205 S206 N207 F210L132-L203 HydrophobicContact CD2-CD1 3.47Å; L132-L203 VanDerWaalsContact CD2-CD1 3.47Å; L132-L203 HydrophobicContact CD2-CD2 3.69Å; L132-L203 HydrophobicContact CD2-CG 4.23Å; E136-L203 HydrophobicContact CG-CD2 4.43Å; E136-L203 WeakPolarHBondContact OE1-CD2 3.44Å; L140-L203 HydrophobicContact CD2-CD1 4.28Å; T199-L203 HydrophobicContact CG2-CD1 3.9Å; T199-L203 HydrophobicContact CG2-CG 4.44Å; T199-L203 WeakPolarHBondContact O-CB 3.35Å; T199-L203 VanDerWaalsContact O-CG 3.28Å; T199-L203 WeakPolarHBondContact O-CG 3.5Å; T199-L203 PolarHBondContact O-N 3.02Å; F200-L203 PolarHBondContact O-N 2.95Å; Q201-L203 PolarHBondContact O-N 2.98Å; L203-N205 VanDerWaalsContact C-N 3.28Å; L203-N205 PolarHBondContact O-N 3.25Å; L203-S206 PolarHBondContact O-N 3.09Å; L203-N207 HydrophobicContact CD2-CB 4.46Å; L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.46Å; L203-F210 HydrophobicContact CB-CD1 3.71Å; L203-F210 HydrophobicContact CB-CE1 3.78Å; L203-F210 HydrophobicContact CB-CG 4.13Å; L203-F210 HydrophobicContact CB-CZ 4.26Å; L203-F210 HydrophobicContact CD1-CD2 4.43Å; L203-F210 HydrophobicContact CD1-CE1 4.47Å; L203-F210 HydrophobicContact CD1-CE2 4.09Å; L203-F210 HydrophobicContact CD1-CZ 4.11Å
204M96.3Very high95.3Very high56 Ų5656.5 Ų56.528%0.27629%0.29SS..Hα-helixtrans-59.3-39.1175.6-73-59.8-65.100112.2F200 Q201 F210 R211 L214F200-M204 HydrophobicContact CD1-CG 4.08Å; F200-M204 HydrophobicContact CE1-CG 3.72Å; F200-M204 HydrophobicContact CE1-SD 4.49Å; F200-M204 HydrophobicContact CE2-CG 4.48Å; F200-M204 HydrophobicContact CZ-CG 3.94Å; F200-M204 HydrophobicContact CZ-SD 4.16Å; F200-M204 VanDerWaalsContact O-CG 3.31Å; F200-M204 WeakPolarHBondContact O-CG 3.36Å; F200-M204 PolarHBondContact O-N 3.24Å; Q201-M204 PolarHBondContact O-N 3.29Å; M204-F210 HydrophobicContact CG-CE1 4.38Å; M204-F210 HydrophobicContact SD-CD1 4.24Å; M204-F210 HydrophobicContact SD-CE1 3.9Å; M204-R211 HydrophobicContact CE-CG 3.87Å; M204-R211 WeakPolarHBondContact O-CD 3.49Å; M204-R211 PolarHBondContact O-NE 2.98Å; M204-R211 VanDerWaalsContact O-NE 3.15Å; M204-R211 HydrophobicContact SD-CG 3.84Å; M204-L214 HydrophobicContact SD-CD2 3.81Å
205N95.9Very high95.8Very high120 Ų12061.4 Ų61.464%0.64231%0.31SS*.Hα-helixtrans-80.9-32.9-177.9-67.8-30.4000113.4Q201 S202 L203Q201-N205 WeakPolarHBondContact O-CB 3.49Å; Q201-N205 VanDerWaalsContact O-CG 3.27Å; Q201-N205 PolarHBondContact O-N 3.23Å; Q201-N205 PolarHBondContact O-ND2 3.47Å; Q201-N205 VanDerWaalsContact O-ND2 3.11Å; S202-N205 PolarHBondContact O-N 2.72Å; L203-N205 VanDerWaalsContact C-N 3.28Å; L203-N205 PolarHBondContact O-N 3.25Å
206S95.8Very high96.2Very high96 Ų9666.3 Ų66.367%0.67133%0.333SS*.Hα-helixtrans-108.8-20.4-165.7-44.70000114.1S202 L203S202-S206 VanDerWaalsContact O-CB 3.24Å; S202-S206 WeakPolarHBondContact O-CB 3.33Å; S202-S206 PolarHBondContact O-N 2.77Å; S202-S206 PolarHBondContact O-OG 3.31Å; L203-S206 PolarHBondContact O-N 3.09Å
207N96Very high96.3Very high39 Ų3967.1 Ų67.121%0.20934%0.337CS..  trans-121.1101.5-172.1-172.4-20.8000111T131 L203 N209 F210 R211T131-N207 PolarHBondContact O-ND2 3.2Å; L203-N207 HydrophobicContact CD2-CB 4.46Å; L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.46Å; N207-N209 PolarHBondContact OD1-N 3.18Å; N207-F210 HydrophobicContact CB-CB 3.91Å; N207-F210 PolarHBondContact OD1-N 3.4Å; N207-R211 PolarHBondContact O-N 3.11Å
208S97Very high96.6Very high66 Ų6666.4 Ų66.446%0.46233%0.334SS..Hα-helixtrans-65.7-39.3178.955.30000113.1F210 R211 E212S208-F210 PolarHBondContact O-N 3.36Å; S208-R211 WeakPolarHBondContact O-CB 3.48Å; S208-R211 PolarHBondContact O-N 3.38Å; S208-R211 VanDerWaalsContact O-N 3.17Å; S208-E212 WeakPolarHBondContact O-CG 3.47Å; S208-E212 PolarHBondContact O-N 3.43Å
209N97.1Very high96.7Very high81 Ų8164.7 Ų64.743%0.43334%0.341SS..Hα-helixtrans-64.4-42.5179.9-172.320.2000111.5T131 N207 R211 E212 V213T131-N209 HydrophobicContact CG2-CB 4.36Å; N207-N209 PolarHBondContact OD1-N 3.18Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-R211 PolarHBondContact O-N 3.15Å; N209-E212 PolarHBondContact O-N 2.87Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 3.35Å
210F97.9Very high96.8Very high0 Ų067.2 Ų67.20%035%0.354CS..Hα-helixtrans-56.9-45.5172.5174.3-95000111.5L128 T131 L132 L140 F200 L203 M204 N207 S208 L214L128-F210 HydrophobicContact CD1-CD2 3.71Å; L128-F210 HydrophobicContact CD1-CE2 3.6Å; L128-F210 HydrophobicContact CG-CE2 4.35Å; T131-F210 WeakPolarHBondContact OG1-CD2 3.38Å; L132-F210 HydrophobicContact CD1-CE2 4.37Å; L132-F210 HydrophobicContact CD2-CD2 3.67Å; L132-F210 HydrophobicContact CD2-CE2 3.83Å; L132-F210 HydrophobicContact CG-CD2 4.24Å; L132-F210 HydrophobicContact CG-CE2 4.41Å; L140-F210 HydrophobicContact CD2-CE2 4.07Å; L140-F210 HydrophobicContact CD2-CZ 4.18Å; F200-F210 HydrophobicContact CD2-CZ 4.38Å; F200-F210 HydrophobicContact CE2-CE1 4.48Å; F200-F210 HydrophobicContact CE2-CZ 4.42Å; L203-F210 HydrophobicContact CB-CD1 3.71Å; L203-F210 HydrophobicContact CB-CE1 3.78Å; L203-F210 HydrophobicContact CB-CG 4.13Å; L203-F210 HydrophobicContact CB-CZ 4.26Å; L203-F210 HydrophobicContact CD1-CD2 4.43Å; L203-F210 HydrophobicContact CD1-CE1 4.47Å; L203-F210 HydrophobicContact CD1-CE2 4.09Å; L203-F210 HydrophobicContact CD1-CZ 4.11Å; M204-F210 HydrophobicContact CG-CE1 4.38Å; M204-F210 HydrophobicContact SD-CD1 4.24Å; M204-F210 HydrophobicContact SD-CE1 3.9Å; N207-F210 HydrophobicContact CB-CB 3.91Å; N207-F210 PolarHBondContact OD1-N 3.4Å; S208-F210 PolarHBondContact O-N 3.36Å; F210-L214 HydrophobicContact CE1-CD2 3.81Å; F210-L214 HydrophobicContact CZ-CD2 4.05Å; F210-L214 WeakPolarHBondContact O-CB 3.18Å; F210-L214 PolarHBondContact O-N 2.91Å
211R97.7Very high96.6Very high110 Ų11071.8 Ų71.842%0.41539%0.385SS..Hα-helixtrans-59.7-48.8177.8-76-172.9-79.9173.33.9112.7M204 N207 S208 N209 L214 E215M204-R211 HydrophobicContact CE-CG 3.87Å; M204-R211 WeakPolarHBondContact O-CD 3.49Å; M204-R211 PolarHBondContact O-NE 2.98Å; M204-R211 VanDerWaalsContact O-NE 3.15Å; M204-R211 HydrophobicContact SD-CG 3.84Å; N207-R211 PolarHBondContact O-N 3.11Å; S208-R211 WeakPolarHBondContact O-CB 3.48Å; S208-R211 PolarHBondContact O-N 3.38Å; S208-R211 VanDerWaalsContact O-N 3.17Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-R211 PolarHBondContact O-N 3.15Å; R211-L214 PolarHBondContact O-N 3.06Å; R211-E215 WeakPolarHBondContact O-CB 3.49Å; R211-E215 PolarHBondContact O-N 3.49Å
212E97.6Very high96.4Very high129 Ų12971.1 Ų71.160%0.60339%0.386SS*.Hα-helixtrans-63.2-44.4-178.5-71.7171.3-158.600111.9S208 N209 K216S208-E212 WeakPolarHBondContact O-CG 3.47Å; S208-E212 PolarHBondContact O-N 3.43Å; N209-E212 PolarHBondContact O-N 2.87Å; E212-K216 PolarHBondContact O-N 3.4Å; E212-K216 VanDerWaalsContact O-N 3.14Å
213V97.9Very high96.1Very high23 Ų2368.2 Ų68.214%0.13937%0.366CS..Hα-helixtrans-65.6-42.1176.7174.50000111L128 T131 N209 K216 L217L128-V213 HydrophobicContact CB-CG1 4.18Å; L128-V213 HydrophobicContact CD1-CG1 4.1Å; T131-V213 HydrophobicContact CG2-CB 4.39Å; T131-V213 HydrophobicContact CG2-CG2 3.97Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 3.35Å; V213-K216 PolarHBondContact O-N 2.97Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.46Å; V213-L217 PolarHBondContact O-N 3.42Å
214L97.7Very high95.8Very high4 Ų470.5 Ų70.52%0.02138%0.377CS..Hα-helixtrans-63.6-47178.6-179.863.1000111.5F122 F200 M204 F210 R211 K216 L217 E218 L228F122-L214 HydrophobicContact CD1-CD1 4.19Å; F122-L214 HydrophobicContact CE1-CD1 4.04Å; F200-L214 HydrophobicContact CE2-CD2 3.72Å; F200-L214 HydrophobicContact CZ-CD2 3.95Å; M204-L214 HydrophobicContact SD-CD2 3.81Å; F210-L214 HydrophobicContact CE1-CD2 3.81Å; F210-L214 HydrophobicContact CZ-CD2 4.05Å; F210-L214 WeakPolarHBondContact O-CB 3.18Å; F210-L214 PolarHBondContact O-N 2.91Å; R211-L214 PolarHBondContact O-N 3.06Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 3.26Å; L214-L217 PolarHBondContact O-N 3.34Å; L214-E218 HydrophobicContact CD1-CG 4.02Å; L214-E218 HydrophobicContact CG-CG 4.23Å; L214-E218 WeakPolarHBondContact O-CG 3.35Å; L214-E218 PolarHBondContact O-N 3.32Å; L214-L228 HydrophobicContact CD1-CB 3.78Å; L214-L228 HydrophobicContact CD1-CD2 3.8Å; L214-L228 HydrophobicContact CD1-CG 4.45Å
215E96.9Very high95.4Very high141 Ų14179.6 Ų79.666%0.65941%0.408SS*.Hα-helixtrans-58.3-41.7178-176.3174.8-168.600111.3R211 E218 S219R211-E215 WeakPolarHBondContact O-CB 3.49Å; R211-E215 PolarHBondContact O-N 3.49Å; E215-E218 PolarHBondContact O-N 3.11Å; E215-S219 WeakPolarHBondContact O-CB 3.45Å; E215-S219 PolarHBondContact O-N 3.35Å
216K97Very high95.2Very high165 Ų16575.3 Ų75.372%0.71739%0.385SS*.Hα-helixtrans-61.7-44.5174.1-174.5179.2178.8-178.60112.1E212 V213 L214 S219E212-K216 PolarHBondContact O-N 3.4Å; E212-K216 VanDerWaalsContact O-N 3.14Å; V213-K216 PolarHBondContact O-N 2.97Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 3.26Å; K216-S219 PolarHBondContact O-N 3.09Å; K216-S219 PolarHBondContact O-OG 3.41Å
217L96.9Very high95.1Very high21 Ų2172.9 Ų72.911%0.1137%0.368CS..Hα-helixtrans-65.4-43177.9-70.5172.1000111.8H121 F122 L128 V213 L214 S219 D220H121-L217 PolarHBondContact NE2-O 3.49Å; F122-L217 HydrophobicContact CD1-CB 4.09Å; F122-L217 HydrophobicContact CD1-CD1 4.19Å; F122-L217 HydrophobicContact CE1-CB 3.8Å; L128-L217 HydrophobicContact CB-CD1 3.91Å; L128-L217 HydrophobicContact CD1-CD1 4.36Å; L128-L217 HydrophobicContact CD2-CD1 4.14Å; L128-L217 HydrophobicContact CG-CD1 4.38Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.46Å; V213-L217 PolarHBondContact O-N 3.42Å; L214-L217 PolarHBondContact O-N 3.34Å; L217-S219 PolarHBondContact O-N 3.46Å; L217-D220 VanDerWaalsContact O-CB 3.28Å; L217-D220 WeakPolarHBondContact O-CB 3.41Å; L217-D220 PolarHBondContact O-N 3.02Å
218E96.9Very high95.1Very high49 Ų4971 Ų7123%0.22936%0.358CS..Hα-helixtrans-67.6-23.8178.9-69.4-176.6162.500112.8F122 L214 E215 D220 S227 L228F122-E218 HydrophobicContact CE1-CG 3.94Å; F122-E218 HydrophobicContact CZ-CG 4.13Å; L214-E218 HydrophobicContact CD1-CG 4.02Å; L214-E218 HydrophobicContact CG-CG 4.23Å; L214-E218 WeakPolarHBondContact O-CG 3.35Å; L214-E218 PolarHBondContact O-N 3.32Å; E215-E218 PolarHBondContact O-N 3.11Å; E218-D220 VanDerWaalsContact C-N 3.26Å; E218-D220 PolarHBondContact O-N 3.38Å; E218-S227 VanDerWaalsContact OE1-CA 3.25Å; E218-S227 WeakPolarHBondContact OE1-CA 3.48Å; E218-S227 VanDerWaalsContact OE1-CB 3.28Å; E218-S227 WeakPolarHBondContact OE1-CB 3.38Å; E218-L228 PolarHBondContact OE1-N 3.3Å
219S95.4Very high94.9Very high90 Ų9072 Ų7263%0.62935%0.354SS*.THydrogen-bonded Turntrans-73.9-13.7174.678.40000114.3E215 K216 L217E215-S219 WeakPolarHBondContact O-CB 3.45Å; E215-S219 PolarHBondContact O-N 3.35Å; K216-S219 PolarHBondContact O-N 3.09Å; K216-S219 PolarHBondContact O-OG 3.41Å; L217-S219 PolarHBondContact O-N 3.46Å
220D96.1Very high94.7Very high66 Ų6669.3 Ų69.335%0.35334%0.341SS..SBendtrans-64.6133-179.9-166.6-57.2000110.7H121 L217 E218 V222 C223H121-D220 IonicContact CE1-OD2 3.49Å; H121-D220 PolarHBondContact CE1-OD2 3.24Å; L217-D220 VanDerWaalsContact O-CB 3.28Å; L217-D220 WeakPolarHBondContact O-CB 3.41Å; L217-D220 PolarHBondContact O-N 3.02Å; E218-D220 VanDerWaalsContact C-N 3.26Å; E218-D220 PolarHBondContact O-N 3.38Å; D220-V222 HydrophobicContact CB-CG1 4.06Å; D220-V222 PolarHBondContact O-N 3.25Å; D220-V222 WeakPolarHBondContact OD1-CB 3.3Å; D220-V222 WeakPolarHBondContact OD1-CG1 3.5Å; D220-V222 PolarHBondContact OD1-N 2.86Å; D220-C223 WeakPolarHBondContact O-CB 3.31Å; D220-C223 PolarHBondContact O-N 3.26Å
221P93.1Very high94.6Very high112 Ų11269.3 Ų69.373%0.72734%0.341SS*.G310 helixtrans-52.6-27177.2-27.734.8000114.7C223 Q224P221-C223 PolarHBondContact O-N 3.21Å; P221-Q224 PolarHBondContact O-N 3.04Å; P221-Q224 VanDerWaalsContact O-N 3.11Å
222V92.6Very high94.5Very high61 Ų6164.6 Ų64.637%0.3732%0.324SS..G310 helixtrans-58.6-31176.777.90000112.1I117 H121 D220 Q224I117-V222 HydrophobicContact CD1-CG2 4.14Å; I117-V222 VanDerWaalsContact CD1-O 3.32Å; I117-V222 WeakPolarHBondContact CD1-O 3.42Å; I117-V222 HydrophobicContact CG1-CG2 3.99Å; I117-V222 HydrophobicContact CG2-CG1 4.49Å; H121-V222 HydrophobicContact CB-CG1 4.48Å; D220-V222 HydrophobicContact CB-CG1 4.06Å; D220-V222 PolarHBondContact O-N 3.25Å; D220-V222 WeakPolarHBondContact OD1-CB 3.3Å; D220-V222 WeakPolarHBondContact OD1-CG1 3.5Å; D220-V222 PolarHBondContact OD1-N 2.86Å; V222-Q224 VanDerWaalsContact C-N 3.33Å; V222-Q224 PolarHBondContact O-N 2.68Å
223C89.3Confident94.2Very high0 Ų060.9 Ų60.90%031%0.308CS..G310 helixtrans-78.7-13.1-179.4-640000113.6H121 F122 D220 P221 R225 L226H121-C223 PolarHBondContact CD2-SG 3.14Å; F122-C223 WeakPolarHBondContact CZ-SG 3.45Å; D220-C223 WeakPolarHBondContact O-CB 3.31Å; D220-C223 PolarHBondContact O-N 3.26Å; P221-C223 PolarHBondContact O-N 3.21Å; C223-R225 PolarHBondContact O-N 3.46Å; C223-R225 VanDerWaalsContact O-N 3.15Å; C223-L226 WeakPolarHBondContact O-CB 3.31Å; C223-L226 WeakPolarHBondContact O-CG 3.12Å; C223-L226 PolarHBondContact O-N 3.01Å
224Q89.6Confident94Very high52 Ų5259.8 Ų59.824%0.24330%0.302CS..THydrogen-bonded Turntrans50.239.2-178.2-54.2-174.5400113.3Q16 L18 E21 P221 V222 L226Q16-Q224 PolarHBondContact O-NE2 2.99Å; L18-Q224 HydrophobicContact CD1-CB 4.01Å; L18-Q224 HydrophobicContact CD1-CG 3.95Å; L18-Q224 HydrophobicContact CG-CG 4.27Å; E21-Q224 PolarHBondContact OE2-OE1 3.48Å; P221-Q224 PolarHBondContact O-N 3.04Å; P221-Q224 VanDerWaalsContact O-N 3.11Å; V222-Q224 VanDerWaalsContact C-N 3.33Å; V222-Q224 PolarHBondContact O-N 2.68Å; Q224-L226 PolarHBondContact O-N 3.25Å
225R88.8Confident93.9Very high246 Ų24659.6 Ų59.693%0.92830%0.301SS*.THydrogen-bonded Turntrans66.414.3-177.4-48174.7178.7178.8-0.7115C223C223-R225 PolarHBondContact O-N 3.46Å; C223-R225 VanDerWaalsContact O-N 3.15Å
226L91.1Very high93.7Very high30 Ų3055.5 Ų55.516%0.15728%0.281CS..  trans-86141.6173.2-62.7178.1000111L18 Q20 C223 Q224 S230 F231L18-L226 HydrophobicContact CB-CD1 4.01Å; L18-L226 HydrophobicContact CD1-CD1 3.65Å; L18-L226 HydrophobicContact CG-CD1 4.46Å; Q20-L226 HydrophobicContact CB-CD1 3.98Å; Q20-L226 HydrophobicContact CB-CD2 4.37Å; Q20-L226 HydrophobicContact CG-CD1 4.04Å; C223-L226 WeakPolarHBondContact O-CB 3.31Å; C223-L226 WeakPolarHBondContact O-CG 3.12Å; C223-L226 PolarHBondContact O-N 3.01Å; Q224-L226 PolarHBondContact O-N 3.25Å; L226-S230 WeakPolarHBondContact CB-OG 3.42Å; L226-F231 HydrophobicContact CB-CE2 3.64Å; L226-F231 HydrophobicContact CB-CZ 3.89Å; L226-F231 HydrophobicContact CD1-CE1 4.47Å; L226-F231 HydrophobicContact CD1-CZ 4Å
227S94.4Very high93.3Very high46 Ų4651 Ų5132%0.32226%0.262SS..  trans-84.3157.1176.659.70000112.1E218 K229 S230 F231E218-S227 VanDerWaalsContact OE1-CA 3.25Å; E218-S227 WeakPolarHBondContact OE1-CA 3.48Å; E218-S227 VanDerWaalsContact OE1-CB 3.28Å; E218-S227 WeakPolarHBondContact OE1-CB 3.38Å; S227-K229 PolarHBondContact O-N 3.43Å; S227-S230 PolarHBondContact N-OG 3.32Å; S227-S230 WeakPolarHBondContact O-CB 3.24Å; S227-S230 PolarHBondContact O-N 3.35Å; S227-S230 PolarHBondContact O-OG 2.97Å; S227-F231 VanDerWaalsContact O-CD2 3.24Å; S227-F231 WeakPolarHBondContact O-CD2 3.45Å; S227-F231 PolarHBondContact O-N 3.18Å
228L96Very high93.2Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-52.7-42.4173.9171.957.3000111.3F122 F141 F200 L214 E218 S230 F231 L232F122-L228 HydrophobicContact CB-CD1 3.81Å; F122-L228 HydrophobicContact CD1-CB 4.15Å; F122-L228 HydrophobicContact CD1-CD1 4.12Å; F122-L228 HydrophobicContact CD1-CD2 4.4Å; F122-L228 HydrophobicContact CD1-CG 4.45Å; F122-L228 HydrophobicContact CD2-CD1 4.06Å; F122-L228 HydrophobicContact CE1-CB 4.04Å; F122-L228 HydrophobicContact CG-CD1 3.76Å; F122-L228 HydrophobicContact CZ-CB 4.34Å; F141-L228 HydrophobicContact CE1-CD1 4.01Å; F141-L228 HydrophobicContact CE1-CD2 4.46Å; F141-L228 HydrophobicContact CZ-CD2 4.32Å; F200-L228 HydrophobicContact CE2-CD2 4.29Å; L214-L228 HydrophobicContact CD1-CB 3.78Å; L214-L228 HydrophobicContact CD1-CD2 3.8Å; L214-L228 HydrophobicContact CD1-CG 4.45Å; E218-L228 PolarHBondContact OE1-N 3.3Å; L228-S230 PolarHBondContact O-N 3.21Å; L228-F231 WeakPolarHBondContact O-CB 3.3Å; L228-F231 PolarHBondContact O-N 3.35Å; L228-L232 HydrophobicContact CD1-CD1 4.31Å; L228-L232 HydrophobicContact CD1-CD2 4.18Å; L228-L232 HydrophobicContact CD1-CG 4Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 HydrophobicContact CG-CG 4.24Å; L228-L232 WeakPolarHBondContact O-CG 3.37Å; L228-L232 PolarHBondContact O-N 3.46Å
229K93.8Very high93Very high85 Ų8547.7 Ų47.737%0.3725%0.246SC..Hα-helixtrans-55.6-37.7177.2178.9171172.6165.60112.5E197 F200 S227 F231 L232 I233E197-K229 VanDerWaalsContact CD-NZ 3.29Å; E197-K229 IonicContact OE1-NZ 2.59Å; E197-K229 PolarHBondContact OE1-NZ 3.26Å; E197-K229 WeakPolarHBondContact OE2-CE 3.39Å; E197-K229 IonicContact OE2-NZ 2.71Å; E197-K229 PolarHBondContact OE2-NZ 3.3Å; F200-K229 HydrophobicContact CE1-CB 4.27Å; F200-K229 HydrophobicContact CE1-CD 4.38Å; F200-K229 HydrophobicContact CZ-CB 4.25Å; S227-K229 PolarHBondContact O-N 3.43Å; K229-F231 VanDerWaalsContact C-N 3.28Å; K229-F231 PolarHBondContact O-N 3.01Å; K229-L232 PolarHBondContact O-N 3.28Å; K229-I233 PolarHBondContact O-N 3.37Å
230S92.9Very high92.6Very high25 Ų2545.5 Ų45.518%0.17523%0.229CC..Hα-helixtrans-71.3-20.2177.578.70000113.8Q20 L226 S227 L228 I233Q20-S230 PolarHBondContact NE2-O 3.46Å; Q20-S230 VanDerWaalsContact NE2-O 3.07Å; L226-S230 WeakPolarHBondContact CB-OG 3.42Å; S227-S230 PolarHBondContact N-OG 3.32Å; S227-S230 WeakPolarHBondContact O-CB 3.24Å; S227-S230 PolarHBondContact O-N 3.35Å; S227-S230 PolarHBondContact O-OG 2.97Å; L228-S230 PolarHBondContact O-N 3.21Å; S230-I233 VanDerWaalsContact O-CG2 3.23Å; S230-I233 WeakPolarHBondContact O-CG2 3.48Å
231F95.6Very high92.3Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-83.9-37.8171.6-69.2-81.2000111.7L18 Q20 S114 I117 A118 F122 L226 S227 L228 K229 I233 L234L18-F231 HydrophobicContact CD1-CE1 4.15Å; L18-F231 HydrophobicContact CD1-CZ 3.89Å; Q20-F231 VanDerWaalsContact NE2-CD1 3.29Å; S114-F231 WeakPolarHBondContact O-CD1 3.25Å; I117-F231 HydrophobicContact CB-CE1 4.18Å; I117-F231 HydrophobicContact CB-CZ 4.47Å; I117-F231 HydrophobicContact CD1-CE1 4.48Å; I117-F231 HydrophobicContact CG2-CE1 4.13Å; I117-F231 HydrophobicContact CG2-CE2 4.43Å; I117-F231 HydrophobicContact CG2-CZ 3.95Å; A118-F231 HydrophobicContact CB-CB 3.83Å; A118-F231 HydrophobicContact CB-CD1 4.33Å; A118-F231 HydrophobicContact CB-CG 4.3Å; F122-F231 AromaticContact CE2-CD2 3.91Å; F122-F231 HydrophobicContact CE2-CD2 3.91Å; F122-F231 AromaticContact CE2-CE2 3.96Å; F122-F231 HydrophobicContact CE2-CE2 3.96Å; L226-F231 HydrophobicContact CB-CE2 3.64Å; L226-F231 HydrophobicContact CB-CZ 3.89Å; L226-F231 HydrophobicContact CD1-CE1 4.47Å; L226-F231 HydrophobicContact CD1-CZ 4Å; S227-F231 VanDerWaalsContact O-CD2 3.24Å; S227-F231 WeakPolarHBondContact O-CD2 3.45Å; S227-F231 PolarHBondContact O-N 3.18Å; L228-F231 WeakPolarHBondContact O-CB 3.3Å; L228-F231 PolarHBondContact O-N 3.35Å; K229-F231 VanDerWaalsContact C-N 3.28Å; K229-F231 PolarHBondContact O-N 3.01Å; F231-I233 VanDerWaalsContact C-N 3.26Å; F231-I233 PolarHBondContact O-N 2.99Å; F231-L234 HydrophobicContact CD1-CD1 4.02Å; F231-L234 VanDerWaalsContact O-CB 3.3Å; F231-L234 WeakPolarHBondContact O-CB 3.24Å; F231-L234 VanDerWaalsContact O-CG 3.25Å; F231-L234 WeakPolarHBondContact O-CG 3.45Å; F231-L234 PolarHBondContact O-N 3.06Å; F231-L234 VanDerWaalsContact O-N 3.14Å
232L95.3Very high92.3Very high11 Ų1138.4 Ų38.46%0.05818%0.183CC..Hα-helixtrans-65.5-26-177.8-65.7177.5000113.6L140 F141 L144 Y189 L228 K229 L234L140-L232 HydrophobicContact CD1-CD1 3.82Å; F141-L232 HydrophobicContact CD1-CD2 4.13Å; F141-L232 HydrophobicContact CE1-CD2 4.47Å; L144-L232 HydrophobicContact CD2-CD2 4.31Å; Y189-L232 WeakPolarHBondContact CE1-O 3.31Å; Y189-L232 PolarHBondContact OH-O 3.39Å; L228-L232 HydrophobicContact CD1-CD1 4.31Å; L228-L232 HydrophobicContact CD1-CD2 4.18Å; L228-L232 HydrophobicContact CD1-CG 4Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 HydrophobicContact CG-CG 4.24Å; L228-L232 WeakPolarHBondContact O-CG 3.37Å; L228-L232 PolarHBondContact O-N 3.46Å; K229-L232 PolarHBondContact O-N 3.28Å; L232-L234 VanDerWaalsContact C-N 3.35Å
233I91.4Very high92.1Very high52 Ų5237.5 Ų37.527%0.26717%0.174SC..THydrogen-bonded Turntrans-77.3-17.7176.8-174.858.7000113.5K229 S230 F231 F236 Q237K229-I233 PolarHBondContact O-N 3.37Å; S230-I233 VanDerWaalsContact O-CG2 3.23Å; S230-I233 WeakPolarHBondContact O-CG2 3.48Å; F231-I233 VanDerWaalsContact C-N 3.26Å; F231-I233 PolarHBondContact O-N 2.99Å; I233-F236 HydrophobicContact CD1-CD1 4.44Å; I233-F236 PolarHBondContact O-N 3.37Å; I233-Q237 HydrophobicContact CG1-CG 4.05Å; I233-Q237 PolarHBondContact O-N 3.26Å
234L93.3Very high91.9Very high0 Ų041.2 Ų41.20%019%0.193CC..Hα-helixtrans-57.9-41.3-170.2-67.3179.6000114.6Y19 Q20 Y111 F231 L232 F236 Q237 R238Y19-L234 HydrophobicContact CD1-CD2 3.67Å; Y19-L234 HydrophobicContact CE1-CD2 4.35Å; Q20-L234 HydrophobicContact CG-CD2 3.67Å; Y111-L234 HydrophobicContact CD2-CB 4.36Å; Y111-L234 HydrophobicContact CE2-CB 3.84Å; F231-L234 HydrophobicContact CD1-CD1 4.02Å; F231-L234 VanDerWaalsContact O-CB 3.3Å; F231-L234 WeakPolarHBondContact O-CB 3.24Å; F231-L234 VanDerWaalsContact O-CG 3.25Å; F231-L234 WeakPolarHBondContact O-CG 3.45Å; F231-L234 PolarHBondContact O-N 3.06Å; F231-L234 VanDerWaalsContact O-N 3.14Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L234-F236 VanDerWaalsContact C-N 3.29Å; L234-F236 PolarHBondContact O-N 3.41Å; L234-Q237 CarbonylContact O-C 3.6Å; L234-Q237 PolarHBondContact O-N 3.13Å; L234-Q237 VanDerWaalsContact O-N 3.11Å; L234-R238 WeakPolarHBondContact O-CB 3.4Å; L234-R238 PolarHBondContact O-N 2.73Å
235P95.8Very high91.8Very high0 Ų038.7 Ų38.70%018%0.182CC..Hα-helixtrans-61.3-36.2-176.5-29.640.5000113.8Y111 L115 L144 V147 Y186 Y189 I239Y111-P235 WeakPolarHBondContact OH-CA 3.48Å; L115-P235 HydrophobicContact CD2-CG 4.48Å; L144-P235 HydrophobicContact CD1-CG 4.25Å; V147-P235 HydrophobicContact CG1-CB 4.1Å; V147-P235 HydrophobicContact CG1-CG 3.98Å; Y186-P235 HydrophobicContact CD1-CB 3.77Å; Y186-P235 WeakPolarHBondContact CD1-O 3.31Å; Y186-P235 HydrophobicContact CE1-CB 3.76Å; Y186-P235 WeakPolarHBondContact CE1-O 3.48Å; Y189-P235 HydrophobicContact CD1-CB 3.71Å; Y189-P235 HydrophobicContact CD1-CG 3.88Å; Y189-P235 HydrophobicContact CE1-CB 3.76Å; Y189-P235 HydrophobicContact CE1-CG 3.45Å; Y189-P235 VanDerWaalsContact CE1-CG 3.45Å; Y189-P235 HydrophobicContact CG-CB 4.49Å; P235-I239 PolarHBondContact O-N 2.95Å
236F91.7Very high91.9Very high54 Ų5427 Ų2724%0.23714%0.138CC..Hα-helixtrans-68.8-45173.9179.4-111.4000111.5V190 I233 L234 R238 I239 T240V190-F236 HydrophobicContact CG1-CB 4.49Å; V190-F236 HydrophobicContact CG1-CD2 3.65Å; V190-F236 HydrophobicContact CG1-CE2 4.32Å; V190-F236 HydrophobicContact CG1-CG 4.38Å; V190-F236 HydrophobicContact CG2-CB 4.09Å; V190-F236 HydrophobicContact CG2-CD2 4.24Å; I233-F236 HydrophobicContact CD1-CD1 4.44Å; I233-F236 PolarHBondContact O-N 3.37Å; L234-F236 VanDerWaalsContact C-N 3.29Å; L234-F236 PolarHBondContact O-N 3.41Å; F236-R238 VanDerWaalsContact C-N 3.27Å; F236-R238 PolarHBondContact O-N 3.17Å; F236-I239 HydrophobicContact CD2-CD1 4.45Å; F236-I239 VanDerWaalsContact O-CG1 3.24Å; F236-I239 WeakPolarHBondContact O-CG1 3.5Å; F236-T240 HydrophobicContact CE1-CG2 4.38Å; F236-T240 HydrophobicContact CE2-CG2 4.14Å; F236-T240 HydrophobicContact CZ-CG2 4.05Å; F236-T240 WeakPolarHBondContact O-CG2 3.42Å; F236-T240 PolarHBondContact O-N 3.13Å; F236-T240 PolarHBondContact O-OG1 3.44Å
237Q88.7Confident91.6Very high72 Ų7228.1 Ų28.134%0.33614%0.142SC..Hα-helixtrans-61.5-35.3176.9-68.9175.4-25.200112.3I233 L234 T240 R241I233-Q237 HydrophobicContact CG1-CG 4.05Å; I233-Q237 PolarHBondContact O-N 3.26Å; L234-Q237 CarbonylContact O-C 3.6Å; L234-Q237 PolarHBondContact O-N 3.13Å; L234-Q237 VanDerWaalsContact O-N 3.11Å; Q237-T240 PolarHBondContact O-OG1 2.97Å; Q237-R241 VanDerWaalsContact O-CB 3.26Å; Q237-R241 WeakPolarHBondContact O-CB 3.47Å; Q237-R241 PolarHBondContact O-N 3.45Å
238R94.8Very high91.2Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-68.3-48.4-178-178.161.4-178.2159.4-0.4111.8L104 S107 E108 Y111 L234 F236 T240 R241 L242L104-R238 PolarHBondContact O-NH2 3.07Å; S107-R238 PolarHBondContact OG-NH1 2.87Å; S107-R238 PolarHBondContact OG-NH2 3.45Å; E108-R238 IonicContact OE2-CZ 2.71Å; E108-R238 IonicContact OE2-NE 3.44Å; E108-R238 PolarHBondContact OE2-NE 2.65Å; E108-R238 IonicContact OE2-NH2 2.71Å; E108-R238 PolarHBondContact OE2-NH2 2.98Å; Y111-R238 HydrophobicContact CD1-CB 4.41Å; Y111-R238 HydrophobicContact CD1-CG 3.72Å; Y111-R238 HydrophobicContact CD2-CB 3.97Å; Y111-R238 HydrophobicContact CD2-CG 4.09Å; Y111-R238 HydrophobicContact CE1-CB 4.09Å; Y111-R238 HydrophobicContact CE1-CG 3.63Å; Y111-R238 HydrophobicContact CE2-CB 3.62Å; Y111-R238 HydrophobicContact CE2-CG 4.02Å; Y111-R238 HydrophobicContact CG-CB 4.34Å; Y111-R238 HydrophobicContact CG-CG 3.93Å; L234-R238 WeakPolarHBondContact O-CB 3.4Å; L234-R238 PolarHBondContact O-N 2.73Å; F236-R238 VanDerWaalsContact C-N 3.27Å; F236-R238 PolarHBondContact O-N 3.17Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 2.92Å; R238-R241 PolarHBondContact O-N 2.87Å; R238-L242 HydrophobicContact CG-CD1 4.08Å; R238-L242 HydrophobicContact CG-CG 4.38Å; R238-L242 VanDerWaalsContact NH2-CD2 3.34Å; R238-L242 WeakPolarHBondContact O-CB 2.8Å; R238-L242 WeakPolarHBondContact O-CG 3.35Å; R238-L242 PolarHBondContact O-N 2.89Å
239I94.1Very high90.9Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-64.4-36.6-17960.1173.8000111.6Y186 V190 P235 F236 K243 L273 I274Y186-I239 HydrophobicContact CD1-CG2 3.44Å; Y186-I239 VanDerWaalsContact CD1-CG2 3.44Å; Y186-I239 HydrophobicContact CD2-CG2 4.38Å; Y186-I239 HydrophobicContact CE1-CG2 3.77Å; Y186-I239 HydrophobicContact CG-CG2 3.78Å; V190-I239 HydrophobicContact CG2-CD1 4.34Å; P235-I239 PolarHBondContact O-N 2.95Å; F236-I239 HydrophobicContact CD2-CD1 4.45Å; F236-I239 VanDerWaalsContact O-CG1 3.24Å; F236-I239 WeakPolarHBondContact O-CG1 3.5Å; I239-K243 PolarHBondContact O-N 3.47Å; I239-L273 HydrophobicContact CG2-CD2 4.35Å; I239-I274 HydrophobicContact CB-CG1 4.41Å; I239-I274 HydrophobicContact CD1-CG1 4.01Å; I239-I274 HydrophobicContact CG1-CG1 4.09Å
240T87.4Confident90.6Very high44 Ų4424.1 Ų24.127%0.2712%0.121SC..Hα-helixtrans-68.8-41.2175.258.30000111.6F236 Q237 R238 K243 L244 I274F236-T240 HydrophobicContact CE1-CG2 4.38Å; F236-T240 HydrophobicContact CE2-CG2 4.14Å; F236-T240 HydrophobicContact CZ-CG2 4.05Å; F236-T240 WeakPolarHBondContact O-CG2 3.42Å; F236-T240 PolarHBondContact O-N 3.13Å; F236-T240 PolarHBondContact O-OG1 3.44Å; Q237-T240 PolarHBondContact O-OG1 2.97Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 2.92Å; T240-K243 WeakPolarHBondContact O-CB 3.5Å; T240-K243 PolarHBondContact O-N 3.13Å; T240-L244 PolarHBondContact O-N 3.06Å; T240-I274 HydrophobicContact CG2-CD1 4.22Å; T240-I274 HydrophobicContact CG2-CG1 4.42Å; T240-I274 HydrophobicContact CG2-CG2 4.44Å
241R88.3Confident90.1Very high26 Ų2628.1 Ų28.110%0.09814%0.135CC..Hα-helixtrans-67.1-40.3176.4-166.173.8174.582.914.4112.5Y19 E103 Q237 R238 K243 L244 L245Y19-R241 WeakPolarHBondContact OH-CB 3.49Å; E103-R241 IonicContact OE1-CZ 3.85Å; E103-R241 IonicContact OE1-NH2 3.18Å; E103-R241 PolarHBondContact OE1-NH2 3.3Å; Q237-R241 VanDerWaalsContact O-CB 3.26Å; Q237-R241 WeakPolarHBondContact O-CB 3.47Å; Q237-R241 PolarHBondContact O-N 3.45Å; R238-R241 PolarHBondContact O-N 2.87Å; R241-K243 VanDerWaalsContact C-N 3.31Å; R241-K243 PolarHBondContact O-N 3.37Å; R241-L244 WeakPolarHBondContact O-CB 3.15Å; R241-L244 PolarHBondContact O-N 2.77Å; R241-L244 VanDerWaalsContact O-N 3.13Å; R241-L245 WeakPolarHBondContact O-CG 3.48Å; R241-L245 PolarHBondContact O-N 2.68Å
242L93Very high89.7Confident2 Ų233 Ų331%0.0115%0.153CC..Hα-helixtrans-59.3-41.4174.9-82.7173.2000111.5L104 R238 L244 L245 L246 L270L104-L242 HydrophobicContact CD1-CD2 4.22Å; L104-L242 HydrophobicContact CD2-CD2 4.39Å; L104-L242 HydrophobicContact CG-CD2 4.01Å; R238-L242 HydrophobicContact CG-CD1 4.08Å; R238-L242 HydrophobicContact CG-CG 4.38Å; R238-L242 VanDerWaalsContact NH2-CD2 3.34Å; R238-L242 WeakPolarHBondContact O-CB 2.8Å; R238-L242 WeakPolarHBondContact O-CG 3.35Å; R238-L242 PolarHBondContact O-N 2.89Å; L242-L244 VanDerWaalsContact C-N 3.32Å; L242-L244 PolarHBondContact O-N 3.34Å; L242-L245 HydrophobicContact CD2-CD1 4.39Å; L242-L245 PolarHBondContact O-N 3.11Å; L242-L246 WeakPolarHBondContact O-CG 3.49Å; L242-L246 PolarHBondContact O-N 2.8Å; L242-L270 HydrophobicContact CB-CD1 3.46Å; L242-L270 VanDerWaalsContact CB-CD1 3.46Å
243K90.1Very high89.3Confident42 Ų4232.8 Ų32.818%0.18315%0.153CC..Hα-helixtrans-55.5-47.3172.3179.4-172.8174.9179.60111.4I239 T240 R241 L246 Q247 H267 L270 E271 I274I239-K243 PolarHBondContact O-N 3.47Å; T240-K243 WeakPolarHBondContact O-CB 3.5Å; T240-K243 PolarHBondContact O-N 3.13Å; R241-K243 VanDerWaalsContact C-N 3.31Å; R241-K243 PolarHBondContact O-N 3.37Å; K243-L246 PolarHBondContact O-N 3.18Å; K243-Q247 WeakPolarHBondContact O-CB 3.45Å; K243-Q247 PolarHBondContact O-N 2.95Å; K243-H267 VanDerWaalsContact CE-NE2 3.34Å; K243-H267 WeakPolarHBondContact CE-NE2 3.5Å; K243-H267 PolarHBondContact O-CD2 3.43Å; K243-L270 HydrophobicContact CB-CB 4.43Å; K243-E271 HydrophobicContact CD-CB 4.37Å; K243-E271 IonicContact NZ-OE1 3.09Å; K243-E271 PolarHBondContact NZ-OE1 3.18Å; K243-I274 HydrophobicContact CB-CD1 3.9Å; K243-I274 HydrophobicContact CD-CD1 3.86Å; K243-I274 HydrophobicContact CG-CD1 4.44Å
244L83.8Confident89.1Confident78 Ų7836.7 Ų36.741%0.40817%0.17SC..Hα-helixtrans-65-39.1179.5-64.2175.7000112.7T240 R241 L242 Q247 N248T240-L244 PolarHBondContact O-N 3.06Å; R241-L244 WeakPolarHBondContact O-CB 3.15Å; R241-L244 PolarHBondContact O-N 2.77Å; R241-L244 VanDerWaalsContact O-N 3.13Å; L242-L244 VanDerWaalsContact C-N 3.32Å; L242-L244 PolarHBondContact O-N 3.34Å; L244-Q247 WeakPolarHBondContact O-CB 3.45Å; L244-Q247 PolarHBondContact O-N 3.19Å; L244-N248 PolarHBondContact O-N 3Å
245L87.3Confident88.6Confident0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-61.9-46.3175.5-70168.6000111.1E103 L104 R241 L242 Q247 N248 I249E103-L245 VanDerWaalsContact CD-CD2 3.45Å; E103-L245 HydrophobicContact CG-CD2 4.07Å; E103-L245 VanDerWaalsContact OE1-CD2 3.24Å; E103-L245 WeakPolarHBondContact OE1-CD2 3.29Å; L104-L245 HydrophobicContact CB-CD1 4.41Å; L104-L245 HydrophobicContact CD1-CB 4.47Å; L104-L245 HydrophobicContact CG-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CG 3.48Å; R241-L245 PolarHBondContact O-N 2.68Å; L242-L245 HydrophobicContact CD2-CD1 4.39Å; L242-L245 PolarHBondContact O-N 3.11Å; L245-Q247 VanDerWaalsContact C-N 3.33Å; L245-Q247 PolarHBondContact O-N 3.13Å; L245-N248 WeakPolarHBondContact O-CB 3.09Å; L245-N248 PolarHBondContact O-N 3.45Å; L245-N248 VanDerWaalsContact O-N 3.13Å; L245-I249 WeakPolarHBondContact O-CG1 3.43Å; L245-I249 PolarHBondContact O-N 3.04Å
246L91.4Very high88Confident0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-63-38.9175-67.2169.5000112.2L104 V175 L242 K243 N248 I249 L250 A266 H267 L270L104-L246 HydrophobicContact CD1-CD2 4.35Å; V175-L246 HydrophobicContact CG1-CD1 3.91Å; V175-L246 HydrophobicContact CG1-CD2 4.49Å; V175-L246 HydrophobicContact CG2-CD2 4.35Å; L242-L246 WeakPolarHBondContact O-CG 3.49Å; L242-L246 PolarHBondContact O-N 2.8Å; K243-L246 PolarHBondContact O-N 3.18Å; L246-N248 VanDerWaalsContact C-N 3.28Å; L246-N248 PolarHBondContact O-N 3.12Å; L246-I249 HydrophobicContact CD2-CD1 4.48Å; L246-I249 PolarHBondContact O-N 3.39Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 PolarHBondContact O-N 3Å; L246-A266 HydrophobicContact CD1-CB 3.94Å; L246-A266 HydrophobicContact CD2-CB 3.99Å; L246-H267 HydrophobicContact CB-CB 4.19Å; L246-L270 HydrophobicContact CD1-CD1 3.53Å; L246-L270 HydrophobicContact CD1-CG 4.18Å
247Q85Confident87.8Confident54 Ų5444.5 Ų44.525%0.25224%0.241SC..Hα-helixtrans-62.2-38.7174.4-169-179.4-4.500111.2K243 L244 L245 L250 K251K243-Q247 WeakPolarHBondContact O-CB 3.45Å; K243-Q247 PolarHBondContact O-N 2.95Å; L244-Q247 WeakPolarHBondContact O-CB 3.45Å; L244-Q247 PolarHBondContact O-N 3.19Å; L245-Q247 VanDerWaalsContact C-N 3.33Å; L245-Q247 PolarHBondContact O-N 3.13Å; Q247-L250 PolarHBondContact O-N 3.32Å; Q247-K251 VanDerWaalsContact O-CG 3.31Å; Q247-K251 WeakPolarHBondContact O-CG 3.38Å; Q247-K251 PolarHBondContact O-N 3.48Å
248N84.9Confident87.8Confident26 Ų2645.3 Ų45.314%0.13925%0.254CS..Hα-helixtrans-67.7-35.7175.7-81.7-14.5000113V100 L244 L245 L246 R252V100-N248 HydrophobicContact CG1-CB 3.86Å; L244-N248 PolarHBondContact O-N 3Å; L245-N248 WeakPolarHBondContact O-CB 3.09Å; L245-N248 PolarHBondContact O-N 3.45Å; L245-N248 VanDerWaalsContact O-N 3.13Å; L246-N248 VanDerWaalsContact C-N 3.28Å; L246-N248 PolarHBondContact O-N 3.12Å; N248-R252 WeakPolarHBondContact O-CG 3.47Å; N248-R252 PolarHBondContact O-NH1 3.38Å
249I90.3Very high87.4Confident0 Ų047 Ų470%026%0.262CS..Hα-helixtrans-63.9-53171-65.6169.7000109.1L97 V100 K101 L104 V171 L245 L246 K251 R252 T253 A263L97-I249 HydrophobicContact CD1-CG2 4.06Å; V100-I249 HydrophobicContact CB-CG1 4.43Å; V100-I249 HydrophobicContact CG1-CG1 3.61Å; K101-I249 HydrophobicContact CG-CD1 4.29Å; K101-I249 HydrophobicContact CG-CG1 4.48Å; L104-I249 HydrophobicContact CD1-CD1 4.31Å; V171-I249 HydrophobicContact CG2-CD1 3.56Å; L245-I249 WeakPolarHBondContact O-CG1 3.43Å; L245-I249 PolarHBondContact O-N 3.04Å; L246-I249 HydrophobicContact CD2-CD1 4.48Å; L246-I249 PolarHBondContact O-N 3.39Å; I249-K251 VanDerWaalsContact C-N 3.26Å; I249-K251 PolarHBondContact O-N 3.16Å; I249-R252 CarbonylContact O-C 3.5Å; I249-R252 WeakPolarHBondContact O-CA 3.33Å; I249-R252 PolarHBondContact O-N 2.92Å; I249-T253 HydrophobicContact CG2-CG2 4.02Å; I249-T253 WeakPolarHBondContact O-CG2 3.46Å; I249-T253 PolarHBondContact O-N 3.27Å; I249-A263 HydrophobicContact CG2-CB 4.38Å
250L87.6Confident87.1Confident21 Ų2148.6 Ų48.611%0.1127%0.27CS..Hα-helixtrans-56.8-36.1-179.2-177.664.2000113.4L246 Q247 R252 T253 E260 A263 T264L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 PolarHBondContact O-N 3Å; Q247-L250 PolarHBondContact O-N 3.32Å; L250-R252 PolarHBondContact O-N 3.27Å; L250-T253 WeakPolarHBondContact CA-OG1 3.36Å; L250-T253 PolarHBondContact O-OG1 3.49Å; L250-E260 HydrophobicContact CD1-CB 4.49Å; L250-E260 HydrophobicContact CD1-CG 3.59Å; L250-A263 HydrophobicContact CB-CB 4.15Å; L250-A263 HydrophobicContact CD1-CB 3.94Å; L250-T264 WeakPolarHBondContact CD1-OG1 3.37Å
251K83.4Confident87.2Confident109 Ų10948.3 Ų48.347%0.47427%0.272SS..THydrogen-bonded Turntrans-65.4-23.4175.5-77.5178.2179.8-172.10113.3Q247 I249Q247-K251 VanDerWaalsContact O-CG 3.31Å; Q247-K251 WeakPolarHBondContact O-CG 3.38Å; Q247-K251 PolarHBondContact O-N 3.48Å; I249-K251 VanDerWaalsContact C-N 3.26Å; I249-K251 PolarHBondContact O-N 3.16Å
252R85.8Confident87.3Confident101 Ų10149.7 Ų49.738%0.38128%0.28SS..THydrogen-bonded Turntrans-108.3-10.2-174.3-67.9170.3177.873.9-1.9113.1L97 N248 I249 L250L97-R252 HydrophobicContact CD1-CB 4.06Å; N248-R252 WeakPolarHBondContact O-CG 3.47Å; N248-R252 PolarHBondContact O-NH1 3.38Å; I249-R252 CarbonylContact O-C 3.5Å; I249-R252 WeakPolarHBondContact O-CA 3.33Å; I249-R252 PolarHBondContact O-N 2.92Å; L250-R252 PolarHBondContact O-N 3.27Å
253T88.3Confident87.2Confident7 Ų749.6 Ų49.64%0.04328%0.279CS..SBendtrans-73.1145.317349.50000111.3L97 I249 L250 E259L97-T253 HydrophobicContact CD1-CG2 4.38Å; I249-T253 HydrophobicContact CG2-CG2 4.02Å; I249-T253 WeakPolarHBondContact O-CG2 3.46Å; I249-T253 PolarHBondContact O-N 3.27Å; L250-T253 WeakPolarHBondContact CA-OG1 3.36Å; L250-T253 PolarHBondContact O-OG1 3.49Å; T253-E259 HydrophobicContact CG2-CB 4.14Å; T253-E259 HydrophobicContact CG2-CG 3.73Å
254Q86.4Confident87.2Confident134 Ų13448.1 Ų48.163%0.62627%0.274SS*.PPolyproline II helixtrans-65.5132.2177.4-65-177.615.500110.9G256 S257Q254-G256 PolarHBondContact O-N 3.06Å; Q254-S257 VanDerWaalsContact O-CB 3.23Å; Q254-S257 WeakPolarHBondContact O-CB 3.43Å; Q254-S257 PolarHBondContact O-N 3.31Å; Q254-S257 PolarHBondContact O-OG 2.95Å
255P83.4Confident87.6Confident107 Ų10748.2 Ų48.270%0.69527%0.27SS*.THydrogen-bonded Turntrans-58.9135.3177.8-25.534.9000112.8S257 E260P255-S257 VanDerWaalsContact C-N 3.26Å; P255-S257 PolarHBondContact O-N 3.48Å; P255-E260 VanDerWaalsContact CA-OE2 3.31Å; P255-E260 WeakPolarHBondContact CA-OE2 3.45Å
256G82.4Confident88Confident76 Ų7648.2 Ų48.278%0.78427%0.27SS*.THydrogen-bonded Turntrans77.54-178.500000114.9Q254 E260Q254-G256 PolarHBondContact O-N 3.06Å; G256-E260 PolarHBondContact N-OE2 3.23Å
257S88.1Confident88Confident35 Ų3548.7 Ų48.725%0.24527%0.273CS..SBendtrans-78157.9176.168.10000112.5Q254 P255 E259 E260 A261Q254-S257 VanDerWaalsContact O-CB 3.23Å; Q254-S257 WeakPolarHBondContact O-CB 3.43Å; Q254-S257 PolarHBondContact O-N 3.31Å; Q254-S257 PolarHBondContact O-OG 2.95Å; P255-S257 VanDerWaalsContact C-N 3.26Å; P255-S257 PolarHBondContact O-N 3.48Å; S257-E259 PolarHBondContact O-N 2.99Å; S257-E260 PolarHBondContact O-N 3.36Å; S257-E260 PolarHBondContact OG-N 2.94Å; S257-E260 VanDerWaalsContact OG-N 3.14Å; S257-A261 PolarHBondContact O-N 2.95Å
258S88.1Confident88.2Confident89 Ų8948.1 Ų48.162%0.62227%0.27SS*.Hα-helixtrans-58.3-35171-166.80000111.8A261 E262S258-A261 WeakPolarHBondContact O-CB 3.29Å; S258-A261 PolarHBondContact O-N 3.29Å; S258-E262 PolarHBondContact O-N 3.16Å
259E86.6Confident88.6Confident35 Ų3548.3 Ų48.316%0.16428%0.275CS..Hα-helixtrans-68.3-35.8179.6-162175.3144.900112.2K101 Q170 T253 S257 A263K101-E259 WeakPolarHBondContact CE-OE1 3.37Å; K101-E259 IonicContact NZ-OE1 3.38Å; K101-E259 PolarHBondContact NZ-OE1 3.43Å; K101-E259 IonicContact NZ-OE2 2.77Å; K101-E259 PolarHBondContact NZ-OE2 3.34Å; K101-E259 VanDerWaalsContact NZ-OE2 3.17Å; Q170-E259 PolarHBondContact NE2-OE2 3.03Å; Q170-E259 VanDerWaalsContact OE1-CD 3.24Å; Q170-E259 PolarHBondContact OE1-OE2 3.43Å; T253-E259 HydrophobicContact CG2-CB 4.14Å; T253-E259 HydrophobicContact CG2-CG 3.73Å; S257-E259 PolarHBondContact O-N 2.99Å; E259-A263 WeakPolarHBondContact O-CB 3.46Å; E259-A263 PolarHBondContact O-N 2.9Å
260E88.8Confident88.8Confident35 Ų3548.3 Ų48.316%0.16428%0.275CS..Hα-helixtrans-63.3-43.4171.6-171.9-176.5-143.400110.7L250 P255 G256 S257 A263 T264 R506L250-E260 HydrophobicContact CD1-CB 4.49Å; L250-E260 HydrophobicContact CD1-CG 3.59Å; P255-E260 VanDerWaalsContact CA-OE2 3.31Å; P255-E260 WeakPolarHBondContact CA-OE2 3.45Å; G256-E260 PolarHBondContact N-OE2 3.23Å; S257-E260 PolarHBondContact O-N 3.36Å; S257-E260 PolarHBondContact OG-N 2.94Å; S257-E260 VanDerWaalsContact OG-N 3.14Å; E260-A263 PolarHBondContact O-N 3.31Å; E260-T264 WeakPolarHBondContact O-CB 3.36Å; E260-T264 PolarHBondContact O-N 3.46Å; E260-T264 PolarHBondContact O-OG1 2.87Å; E260-R506 IonicContact OE1-NH2 2.67Å; E260-R506 PolarHBondContact OE1-NH2 2.93Å
261A89Confident88.8Confident38 Ų3847.8 Ų47.831%0.31427%0.272SS..Hα-helixtrans-62.7-45.3179.100000111.7S257 S258 T264 K265S257-A261 PolarHBondContact O-N 2.95Å; S258-A261 WeakPolarHBondContact O-CB 3.29Å; S258-A261 PolarHBondContact O-N 3.29Å; A261-T264 PolarHBondContact O-N 3.49Å; A261-K265 VanDerWaalsContact O-CG 3.28Å; A261-K265 WeakPolarHBondContact O-CG 3.34Å; A261-K265 PolarHBondContact O-N 3.46Å
262E90.4Very high89.2Confident55 Ų5545.2 Ų45.226%0.25726%0.262SS..Hα-helixtrans-65.4-46.3176.1-72.7175.8-17700112.1C172 S258 T264 K265 A266C172-E262 HydrophobicContact CB-CB 4.05Å; S258-E262 PolarHBondContact O-N 3.16Å; E262-T264 VanDerWaalsContact C-N 3.29Å; E262-T264 PolarHBondContact O-N 3.45Å; E262-K265 PolarHBondContact O-N 3.49Å; E262-A266 WeakPolarHBondContact O-CB 3.21Å; E262-A266 PolarHBondContact O-N 3.25Å
263A91.1Very high89.6Confident0 Ų040.5 Ų40.50%024%0.244CC..Hα-helixtrans-60.3-39.7176.800000111.8C172 I249 L250 E259 E260 A266 H267C172-A263 HydrophobicContact CB-CB 4.47Å; I249-A263 HydrophobicContact CG2-CB 4.38Å; L250-A263 HydrophobicContact CB-CB 4.15Å; L250-A263 HydrophobicContact CD1-CB 3.94Å; E259-A263 WeakPolarHBondContact O-CB 3.46Å; E259-A263 PolarHBondContact O-N 2.9Å; E260-A263 PolarHBondContact O-N 3.31Å; A263-A266 PolarHBondContact O-N 3.37Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 3.31Å
264T89.9Confident89.7Confident11 Ų1141.1 Ų41.17%0.06725%0.247CC..Hα-helixtrans-65.7-45.2177.4-52.40000110.8L250 E260 A261 E262 H267 H268 A510 L514L250-T264 WeakPolarHBondContact CD1-OG1 3.37Å; E260-T264 WeakPolarHBondContact O-CB 3.36Å; E260-T264 PolarHBondContact O-N 3.46Å; E260-T264 PolarHBondContact O-OG1 2.87Å; A261-T264 PolarHBondContact O-N 3.49Å; E262-T264 VanDerWaalsContact C-N 3.29Å; E262-T264 PolarHBondContact O-N 3.45Å; T264-H267 PolarHBondContact O-N 3.04Å; T264-H268 WeakPolarHBondContact O-CB 3.18Å; T264-H268 PolarHBondContact O-N 2.92Å; T264-A510 HydrophobicContact CG2-CB 3.89Å; T264-L514 HydrophobicContact CG2-CD1 3.34Å; T264-L514 HydrophobicContact CG2-CG 4.1Å
265K92.5Very high89.8Confident79 Ų7939.6 Ų39.634%0.34324%0.236SC..Hα-helixtrans-61.2-46.8176.1-71.3171.1-174.2176.40110.9L176 A261 E262 H268 A269 L514L176-K265 HydrophobicContact CD1-CB 3.79Å; L176-K265 HydrophobicContact CD2-CB 3.8Å; L176-K265 HydrophobicContact CG-CB 4.38Å; A261-K265 VanDerWaalsContact O-CG 3.28Å; A261-K265 WeakPolarHBondContact O-CG 3.34Å; A261-K265 PolarHBondContact O-N 3.46Å; E262-K265 PolarHBondContact O-N 3.49Å; K265-H268 PolarHBondContact O-N 3.31Å; K265-A269 PolarHBondContact O-N 2.85Å; K265-L514 HydrophobicContact CD-CD2 4.26Å; K265-L514 HydrophobicContact CG-CD1 3.99Å; K265-L514 HydrophobicContact CG-CD2 3.51Å; K265-L514 HydrophobicContact CG-CG 4.41Å
266A94Very high90.2Very high0 Ų036 Ų360%021%0.21CC..Hα-helixtrans-61.3-47.5-179.600000111.2C172 V175 L176 L246 E262 A263 H268 A269 L270C172-A266 HydrophobicContact CB-CB 4.24Å; V175-A266 HydrophobicContact CB-CB 4.41Å; V175-A266 HydrophobicContact CG1-CB 4.12Å; L176-A266 HydrophobicContact CD1-CB 4.34Å; L176-A266 HydrophobicContact CD2-CB 4.21Å; L176-A266 HydrophobicContact CG-CB 3.8Å; L246-A266 HydrophobicContact CD1-CB 3.94Å; L246-A266 HydrophobicContact CD2-CB 3.99Å; E262-A266 WeakPolarHBondContact O-CB 3.21Å; E262-A266 PolarHBondContact O-N 3.25Å; A263-A266 PolarHBondContact O-N 3.37Å; A266-H268 VanDerWaalsContact C-N 3.34Å; A266-H268 PolarHBondContact O-N 3.45Å; A266-A269 PolarHBondContact O-N 2.88Å; A266-L270 PolarHBondContact O-N 3.26Å; A266-L270 VanDerWaalsContact O-N 3.16Å
267H92Very high90.5Very high10 Ų1032.4 Ų32.45%0.04617%0.173CC..Hα-helixtrans-60.5-43.7176.5177.1-85.4000111.6K243 L246 A263 T264 L270 E271K243-H267 VanDerWaalsContact CE-NE2 3.34Å; K243-H267 WeakPolarHBondContact CE-NE2 3.5Å; K243-H267 PolarHBondContact O-CD2 3.43Å; L246-H267 HydrophobicContact CB-CB 4.19Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 3.31Å; T264-H267 PolarHBondContact O-N 3.04Å; H267-L270 PolarHBondContact O-N 2.98Å; H267-E271 IonicContact CE1-OE1 3.59Å; H267-E271 WeakPolarHBondContact O-CB 3.36Å; H267-E271 PolarHBondContact O-N 3.42Å
268H89.5Confident90.5Very high43 Ų4333.5 Ų33.520%0.19918%0.177CC..Hα-helixtrans-62.7-43.6177.2-17576.5000112T264 K265 A266 L270 E271 Q272T264-H268 WeakPolarHBondContact O-CB 3.18Å; T264-H268 PolarHBondContact O-N 2.92Å; K265-H268 PolarHBondContact O-N 3.31Å; A266-H268 VanDerWaalsContact C-N 3.34Å; A266-H268 PolarHBondContact O-N 3.45Å; H268-L270 PolarHBondContact O-N 3.19Å; H268-E271 PolarHBondContact O-N 2.91Å; H268-Q272 PolarHBondContact CE1-NE2 3.4Å; H268-Q272 WeakPolarHBondContact O-CG 3.48Å; H268-Q272 PolarHBondContact O-N 2.99Å
269A93.4Very high90.4Very high30 Ų3032.7 Ų32.725%0.24817%0.165CC..Hα-helixtrans-60.5-44.417900000112.5L176 A179 K265 A266 Q272 L273L176-A269 HydrophobicContact CD2-CB 4.41Å; A179-A269 HydrophobicContact CB-CB 3.9Å; K265-A269 PolarHBondContact O-N 2.85Å; A266-A269 PolarHBondContact O-N 2.88Å; A269-Q272 PolarHBondContact O-N 3.43Å; A269-L273 PolarHBondContact O-N 2.82Å
270L93.3Very high90.5Very high0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-68.8-36.7174.9-74.4-170.7000112.9V175 F182 L242 K243 L246 A266 H267 H268 L273 I274V175-L270 HydrophobicContact CG1-CD1 4.41Å; F182-L270 HydrophobicContact CD2-CD2 3.89Å; F182-L270 HydrophobicContact CE2-CD2 4.47Å; L242-L270 HydrophobicContact CB-CD1 3.46Å; L242-L270 VanDerWaalsContact CB-CD1 3.46Å; K243-L270 HydrophobicContact CB-CB 4.43Å; L246-L270 HydrophobicContact CD1-CD1 3.53Å; L246-L270 HydrophobicContact CD1-CG 4.18Å; A266-L270 PolarHBondContact O-N 3.26Å; A266-L270 VanDerWaalsContact O-N 3.16Å; H267-L270 PolarHBondContact O-N 2.98Å; H268-L270 PolarHBondContact O-N 3.19Å; L270-L273 HydrophobicContact CD2-CD2 4.34Å; L270-L273 PolarHBondContact O-N 2.8Å; L270-I274 WeakPolarHBondContact O-CD1 3.45Å; L270-I274 VanDerWaalsContact O-CG1 3.29Å; L270-I274 WeakPolarHBondContact O-CG1 3.31Å; L270-I274 PolarHBondContact O-N 3.16Å
271E89.4Confident90.5Very high10 Ų1033.7 Ų33.75%0.04717%0.174CC..Hα-helixtrans-62.3-43.6174.8-177.7179.1-105.400112K243 H267 H268 L273 I274 R275 K511K243-E271 HydrophobicContact CD-CB 4.37Å; K243-E271 IonicContact NZ-OE1 3.09Å; K243-E271 PolarHBondContact NZ-OE1 3.18Å; H267-E271 IonicContact CE1-OE1 3.59Å; H267-E271 WeakPolarHBondContact O-CB 3.36Å; H267-E271 PolarHBondContact O-N 3.42Å; H268-E271 PolarHBondContact O-N 2.91Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-I274 PolarHBondContact O-N 3.2Å; E271-R275 VanDerWaalsContact O-CB 3.28Å; E271-R275 WeakPolarHBondContact O-CB 3.13Å; E271-R275 PolarHBondContact O-N 3.05Å; E271-K511 IonicContact OE1-NZ 3.17Å; E271-K511 PolarHBondContact OE1-NZ 2.8Å; E271-K511 WeakPolarHBondContact OE2-CE 3.48Å; E271-K511 IonicContact OE2-NZ 2.73Å; E271-K511 PolarHBondContact OE2-NZ 3.17Å
272Q91.3Very high90.3Very high54 Ų5435 Ų3525%0.25217%0.173SC..Hα-helixtrans-61.7-42.8174.2-68.8-55.1-39.200111.4H268 A269 I274 R275 D276H268-Q272 PolarHBondContact CE1-NE2 3.4Å; H268-Q272 WeakPolarHBondContact O-CG 3.48Å; H268-Q272 PolarHBondContact O-N 2.99Å; A269-Q272 PolarHBondContact O-N 3.43Å; Q272-I274 PolarHBondContact O-N 3.32Å; Q272-R275 PolarHBondContact O-N 2.86Å; Q272-D276 WeakPolarHBondContact O-CB 3.34Å; Q272-D276 PolarHBondContact O-N 3.01Å
273L94.1Very high90.1Very high3 Ų334.9 Ų34.92%0.01618%0.178CC..Hα-helixtrans-58.3-49.2175.3174.154.9000112.2F182 R183 L187 I239 A269 L270 E271 R275 D276 C277F182-L273 HydrophobicContact CB-CD2 3.79Å; R183-L273 HydrophobicContact CB-CD1 4.17Å; R183-L273 HydrophobicContact CG-CD1 4.19Å; L187-L273 HydrophobicContact CB-CD1 4.14Å; I239-L273 HydrophobicContact CG2-CD2 4.35Å; A269-L273 PolarHBondContact O-N 2.82Å; L270-L273 HydrophobicContact CD2-CD2 4.34Å; L270-L273 PolarHBondContact O-N 2.8Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.08Å; L273-D276 PolarHBondContact O-N 3.42Å; L273-C277 PolarHBondContact O-N 3.45Å; L273-C277 PolarHBondContact O-SG 2.98Å
274I90.1Very high89.8Confident19 Ų1937.8 Ų37.810%0.09719%0.192CC..Hα-helixtrans-62.8-44.1179.3-66.6159.9000110.3I239 T240 K243 L270 E271 Q272 D276 C277 N278I239-I274 HydrophobicContact CB-CG1 4.41Å; I239-I274 HydrophobicContact CD1-CG1 4.01Å; I239-I274 HydrophobicContact CG1-CG1 4.09Å; T240-I274 HydrophobicContact CG2-CD1 4.22Å; T240-I274 HydrophobicContact CG2-CG1 4.42Å; T240-I274 HydrophobicContact CG2-CG2 4.44Å; K243-I274 HydrophobicContact CB-CD1 3.9Å; K243-I274 HydrophobicContact CD-CD1 3.86Å; K243-I274 HydrophobicContact CG-CD1 4.44Å; L270-I274 WeakPolarHBondContact O-CD1 3.45Å; L270-I274 VanDerWaalsContact O-CG1 3.29Å; L270-I274 WeakPolarHBondContact O-CG1 3.31Å; L270-I274 PolarHBondContact O-N 3.16Å; E271-I274 PolarHBondContact O-N 3.2Å; Q272-I274 PolarHBondContact O-N 3.32Å; I274-D276 VanDerWaalsContact C-N 3.32Å; I274-D276 PolarHBondContact O-N 3.14Å; I274-C277 WeakPolarHBondContact O-CB 3.49Å; I274-C277 PolarHBondContact O-N 2.82Å; I274-N278 PolarHBondContact O-N 3.32Å
275R88.7Confident89.6Confident103 Ų10343.9 Ų43.939%0.38921%0.214SC..Hα-helixtrans-58.6-44.4176-179.9178.7-77-172.7-6.6111.2E271 Q272 L273 N278 N279E271-R275 VanDerWaalsContact O-CB 3.28Å; E271-R275 WeakPolarHBondContact O-CB 3.13Å; E271-R275 PolarHBondContact O-N 3.05Å; Q272-R275 PolarHBondContact O-N 2.86Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.08Å; R275-N278 PolarHBondContact O-N 3.18Å; R275-N279 WeakPolarHBondContact O-CB 3.34Å; R275-N279 PolarHBondContact O-N 2.88Å; R275-N279 PolarHBondContact O-ND2 3.06Å
276D90.8Very high89.5Confident31 Ų3143.6 Ų43.617%0.16621%0.211CC..Hα-helixtrans-68.4-36.3178.8-71.2-29.2000112.7R183 L187 Q272 L273 I274 N279 N280R183-D276 IonicContact CZ-OD2 3.71Å; R183-D276 IonicContact NH1-OD2 3.72Å; R183-D276 PolarHBondContact NH1-OD2 2.89Å; R183-D276 IonicContact NH2-OD2 3.35Å; R183-D276 PolarHBondContact NH2-OD2 3.02Å; L187-D276 HydrophobicContact CD1-CB 4.09Å; Q272-D276 WeakPolarHBondContact O-CB 3.34Å; Q272-D276 PolarHBondContact O-N 3.01Å; L273-D276 PolarHBondContact O-N 3.42Å; I274-D276 VanDerWaalsContact C-N 3.32Å; I274-D276 PolarHBondContact O-N 3.14Å; D276-N279 PolarHBondContact O-N 3.42Å; D276-N280 WeakPolarHBondContact O-CB 3.4Å; D276-N280 PolarHBondContact O-N 3.21Å; D276-N280 PolarHBondContact O-ND2 3.44Å
277C89.9Confident89.2Confident0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-58.6-49.8171-66.20000110.7L187 V190 L273 I274 N279 N280 V281L187-C277 HydrophobicContact CD1-CB 4.24Å; V190-C277 HydrophobicContact CB-CB 4.26Å; V190-C277 HydrophobicContact CG1-CB 3.84Å; L273-C277 PolarHBondContact O-N 3.45Å; L273-C277 PolarHBondContact O-SG 2.98Å; I274-C277 WeakPolarHBondContact O-CB 3.49Å; I274-C277 PolarHBondContact O-N 2.82Å; C277-N279 PolarHBondContact O-N 2.81Å; C277-N280 PolarHBondContact O-N 3.22Å; C277-V281 WeakPolarHBondContact O-CG2 3.48Å; C277-V281 PolarHBondContact O-N 3.3Å
278N87.1Confident89Confident59 Ų5949.2 Ų49.232%0.31624%0.242SC..Hα-helixtrans-61.3-45.3178.4-72.7-15.1000111.5I274 R275 N280 V281 Q282I274-N278 PolarHBondContact O-N 3.32Å; R275-N278 PolarHBondContact O-N 3.18Å; N278-N280 PolarHBondContact O-N 3.39Å; N278-V281 PolarHBondContact O-N 3Å; N278-Q282 WeakPolarHBondContact O-CB 3.34Å; N278-Q282 VanDerWaalsContact O-CG 3.24Å; N278-Q282 WeakPolarHBondContact O-CG 3.5Å; N278-Q282 PolarHBondContact O-N 3.2Å
279N87.4Confident89.1Confident72 Ų7249.8 Ų49.839%0.38525%0.245SC..Hα-helixtrans-60.7-41.7177.8-74.1-19.9000112.2R275 D276 C277 Q282 S283R275-N279 WeakPolarHBondContact O-CB 3.34Å; R275-N279 PolarHBondContact O-N 2.88Å; R275-N279 PolarHBondContact O-ND2 3.06Å; D276-N279 PolarHBondContact O-N 3.42Å; C277-N279 PolarHBondContact O-N 2.81Å; N279-Q282 PolarHBondContact O-N 2.67Å; N279-S283 VanDerWaalsContact O-CB 3.26Å; N279-S283 WeakPolarHBondContact O-CB 3.47Å; N279-S283 PolarHBondContact O-N 3.47Å
280N88.8Confident89.1Confident68 Ų6848.5 Ų48.536%0.36423%0.233SC..Hα-helixtrans-68-46.1178.2-83.1-81000111.7T191 D276 C277 N278 Q282 S283 M284T191-N280 HydrophobicContact CG2-CB 3.96Å; T191-N280 WeakPolarHBondContact OG1-CB 3.47Å; D276-N280 WeakPolarHBondContact O-CB 3.4Å; D276-N280 PolarHBondContact O-N 3.21Å; D276-N280 PolarHBondContact O-ND2 3.44Å; C277-N280 PolarHBondContact O-N 3.22Å; N278-N280 PolarHBondContact O-N 3.39Å; N280-Q282 VanDerWaalsContact C-N 3.28Å; N280-Q282 PolarHBondContact O-N 3.29Å; N280-S283 PolarHBondContact O-N 3.42Å; N280-M284 WeakPolarHBondContact O-CG 3.26Å; N280-M284 PolarHBondContact O-N 2.9Å
281V86.9Confident89Confident23 Ų2352 Ų5214%0.13925%0.251CS..Hα-helixtrans-58.1-43.8174.6172.90000110.7C277 N278 R285C277-V281 WeakPolarHBondContact O-CG2 3.48Å; C277-V281 PolarHBondContact O-N 3.3Å; N278-V281 PolarHBondContact O-N 3Å; V281-R285 WeakPolarHBondContact O-CG 3.36Å; V281-R285 PolarHBondContact O-N 3.05Å; V281-R285 VanDerWaalsContact O-N 3.12Å
282Q84.7Confident89.1Confident66 Ų6657.4 Ų57.431%0.30827%0.272SS..Hα-helixtrans-64.9-44176.1-72.9-178.318.200111.9N278 N279 N280 M284 R285 R286N278-Q282 WeakPolarHBondContact O-CB 3.34Å; N278-Q282 VanDerWaalsContact O-CG 3.24Å; N278-Q282 WeakPolarHBondContact O-CG 3.5Å; N278-Q282 PolarHBondContact O-N 3.2Å; N279-Q282 PolarHBondContact O-N 2.67Å; N280-Q282 VanDerWaalsContact C-N 3.28Å; N280-Q282 PolarHBondContact O-N 3.29Å; Q282-M284 VanDerWaalsContact C-N 3.34Å; Q282-M284 PolarHBondContact O-N 3.41Å; Q282-R285 PolarHBondContact O-N 3.3Å; Q282-R286 WeakPolarHBondContact O-CB 3.49Å; Q282-R286 WeakPolarHBondContact O-CD 3.48Å; Q282-R286 WeakPolarHBondContact O-CG 3.25Å; Q282-R286 PolarHBondContact O-N 2.93Å
283S87.1Confident89.2Confident52 Ų5255.3 Ų55.336%0.36426%0.262SS..Hα-helixtrans-58.8-43.2177.8-174.30000112.3N279 N280 R286 T287N279-S283 VanDerWaalsContact O-CB 3.26Å; N279-S283 WeakPolarHBondContact O-CB 3.47Å; N279-S283 PolarHBondContact O-N 3.47Å; N280-S283 PolarHBondContact O-N 3.42Å; S283-R286 PolarHBondContact O-N 3.4Å; S283-T287 WeakPolarHBondContact O-CB 3.41Å; S283-T287 PolarHBondContact O-N 2.91Å; S283-T287 PolarHBondContact O-OG1 3.19Å
284M85.5Confident89.1Confident60 Ų6057.3 Ų57.330%0.29628%0.277SS..Hα-helixtrans-62.1-46.2174.4-67.3-175.487.400111.7T191 Y195 N280 Q282 R286 T287 E288T191-M284 HydrophobicContact CG2-CG 4.42Å; T191-M284 HydrophobicContact CG2-SD 3.29Å; T191-M284 WeakPolarHBondContact CG2-SD 3.4Å; Y195-M284 HydrophobicContact CD2-CE 4.43Å; Y195-M284 HydrophobicContact CE2-CE 3.35Å; Y195-M284 HydrophobicContact CE2-SD 4.19Å; N280-M284 WeakPolarHBondContact O-CG 3.26Å; N280-M284 PolarHBondContact O-N 2.9Å; Q282-M284 VanDerWaalsContact C-N 3.34Å; Q282-M284 PolarHBondContact O-N 3.41Å; M284-R286 PolarHBondContact O-N 3.38Å; M284-T287 WeakPolarHBondContact O-CB 3.15Å; M284-T287 PolarHBondContact O-N 3.3Å; M284-E288 PolarHBondContact O-N 2.94Å
285R85.5Confident89.2Confident139 Ų13963.1 Ų63.153%0.52530%0.304SS..Hα-helixtrans-61.2-43.6176.6-73.1-178.7-176176.46112.5V281 Q282 T287 E288 E289V281-R285 WeakPolarHBondContact O-CG 3.36Å; V281-R285 PolarHBondContact O-N 3.05Å; V281-R285 VanDerWaalsContact O-N 3.12Å; Q282-R285 PolarHBondContact O-N 3.3Å; R285-T287 VanDerWaalsContact C-N 3.27Å; R285-T287 PolarHBondContact O-N 2.91Å; R285-E288 PolarHBondContact O-N 3.41Å; R285-E289 WeakPolarHBondContact O-CB 3.44Å; R285-E289 PolarHBondContact O-N 2.85Å
286R89.3Confident89.4Confident74 Ų7460.3 Ų60.328%0.27929%0.294SS..Hα-helixtrans-59.3-41.6175.7-67.2162-174.6-174.911.2110.5Q282 S283 M284 E289 L290 W312Q282-R286 WeakPolarHBondContact O-CB 3.49Å; Q282-R286 WeakPolarHBondContact O-CD 3.48Å; Q282-R286 WeakPolarHBondContact O-CG 3.25Å; Q282-R286 PolarHBondContact O-N 2.93Å; S283-R286 PolarHBondContact O-N 3.4Å; M284-R286 PolarHBondContact O-N 3.38Å; R286-E289 PolarHBondContact O-N 3.42Å; R286-L290 WeakPolarHBondContact O-CG 3.4Å; R286-L290 PolarHBondContact O-N 2.92Å; R286-W312 HydrophobicContact CB-CB 3.98Å; R286-W312 HydrophobicContact CG-CB 3.65Å
287T87.9Confident89.5Confident62 Ų6259.4 Ų59.438%0.3829%0.289SS..Hα-helixtrans-66.2-45.9177-55.50000111.9S283 M284 R285 E289 L290 I291S283-T287 WeakPolarHBondContact O-CB 3.41Å; S283-T287 PolarHBondContact O-N 2.91Å; S283-T287 PolarHBondContact O-OG1 3.19Å; M284-T287 WeakPolarHBondContact O-CB 3.15Å; M284-T287 PolarHBondContact O-N 3.3Å; R285-T287 VanDerWaalsContact C-N 3.27Å; R285-T287 PolarHBondContact O-N 2.91Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 2.79Å; T287-L290 PolarHBondContact O-N 3.43Å; T287-I291 HydrophobicContact CG2-CD1 4.15Å; T287-I291 WeakPolarHBondContact O-CG1 3.4Å; T287-I291 PolarHBondContact O-N 3.41Å
288E89.1Confident89.7Confident65 Ų6563.4 Ų63.430%0.30431%0.308SS..Hα-helixtrans-57.1-42.9173.9-73.2-172.9169.100111Y195 R198 M284 R285 I291 Y292Y195-E288 PolarHBondContact OH-OE1 3.48Å; R198-E288 IonicContact CZ-OE2 3.89Å; R198-E288 IonicContact NH1-OE1 3.38Å; R198-E288 PolarHBondContact NH1-OE1 3.2Å; R198-E288 VanDerWaalsContact NH1-OE1 3.09Å; R198-E288 IonicContact NH1-OE2 2.9Å; R198-E288 PolarHBondContact NH1-OE2 3.17Å; R198-E288 IonicContact NH2-OE2 2.72Å; R198-E288 PolarHBondContact NH2-OE2 3.4Å; M284-E288 PolarHBondContact O-N 2.94Å; R285-E288 PolarHBondContact O-N 3.41Å; E288-I291 PolarHBondContact O-N 2.63Å; E288-Y292 WeakPolarHBondContact O-CB 3.33Å; E288-Y292 PolarHBondContact O-N 3.34Å
289E91.8Very high89.9Confident56 Ų5663 Ų6326%0.26230%0.303SS..Hα-helixtrans-64.8-43.5177.9-175.8173.4-136.500112.6R285 R286 T287 I291 Y292 L293 L313 N448R285-E289 WeakPolarHBondContact O-CB 3.44Å; R285-E289 PolarHBondContact O-N 2.85Å; R286-E289 PolarHBondContact O-N 3.42Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 2.79Å; E289-I291 VanDerWaalsContact C-N 3.35Å; E289-I291 PolarHBondContact O-N 3.45Å; E289-Y292 PolarHBondContact O-N 3.48Å; E289-L293 HydrophobicContact CG-CD1 4.3Å; E289-L293 WeakPolarHBondContact O-CG 3.24Å; E289-L293 PolarHBondContact O-N 3.33Å; E289-L313 HydrophobicContact CG-CD2 4.44Å; E289-L313 VanDerWaalsContact OE1-CD2 3.25Å; E289-L313 WeakPolarHBondContact OE1-CD2 3.35Å; E289-N448 PolarHBondContact OE2-ND2 2.8Å
290L93.2Very high90Very high2 Ų265.4 Ų65.41%0.0131%0.312CS..Hα-helixtrans-63-40.2176-71.4-174.7000112.4R286 T287 L293 S294 L306 R311 F344R286-L290 WeakPolarHBondContact O-CG 3.4Å; R286-L290 PolarHBondContact O-N 2.92Å; T287-L290 PolarHBondContact O-N 3.43Å; L290-L293 PolarHBondContact O-N 2.77Å; L290-S294 WeakPolarHBondContact O-CB 3.5Å; L290-S294 PolarHBondContact O-N 2.87Å; L290-L306 HydrophobicContact CD2-CG 4.48Å; L290-R311 HydrophobicContact CD1-CB 4.1Å; L290-R311 HydrophobicContact CD1-CG 4.47Å; L290-R311 WeakPolarHBondContact CD1-O 3.28Å; L290-R311 HydrophobicContact CD2-CG 4.36Å; L290-F344 HydrophobicContact CD2-CD1 3.96Å; L290-F344 HydrophobicContact CD2-CE1 3.48Å; L290-F344 VanDerWaalsContact CD2-CE1 3.48Å; L290-F344 HydrophobicContact CD2-CZ 4.5Å
291I91Very high89.8Confident73 Ų7363.5 Ų63.537%0.37430%0.304SS..Hα-helixtrans-62.6-48.1176-67.8166.4000109.4T287 E288 E289 L293 S294 Q295 I307T287-I291 HydrophobicContact CG2-CD1 4.15Å; T287-I291 WeakPolarHBondContact O-CG1 3.4Å; T287-I291 PolarHBondContact O-N 3.41Å; E288-I291 PolarHBondContact O-N 2.63Å; E289-I291 VanDerWaalsContact C-N 3.35Å; E289-I291 PolarHBondContact O-N 3.45Å; I291-L293 PolarHBondContact O-N 3.19Å; I291-S294 PolarHBondContact O-N 2.83Å; I291-S294 PolarHBondContact O-OG 3.4Å; I291-Q295 WeakPolarHBondContact O-CG 3.05Å; I291-Q295 PolarHBondContact O-N 2.84Å; I291-I307 HydrophobicContact CG1-CD1 4.28Å
292Y91.8Very high89.7Confident124 Ų12469.7 Ų69.749%0.48633%0.329SS..Hα-helixtrans-58.3-45.1177.5171.9-101.4000112.5E288 E289 Q295 K296E288-Y292 WeakPolarHBondContact O-CB 3.33Å; E288-Y292 PolarHBondContact O-N 3.34Å; E289-Y292 PolarHBondContact O-N 3.48Å; Y292-Q295 PolarHBondContact O-N 2.89Å; Y292-K296 HydrophobicContact CE1-CD 3.98Å; Y292-K296 HydrophobicContact CE2-CD 4.04Å; Y292-K296 VanDerWaalsContact CE2-CE 3.47Å; Y292-K296 VanDerWaalsContact CZ-CE 3.43Å; Y292-K296 WeakPolarHBondContact OH-CE 3.32Å; Y292-K296 PolarHBondContact OH-NZ 2.9Å
293L92.5Very high89.8Confident10 Ų1073.1 Ų73.15%0.05235%0.348CS..Hα-helixtrans-66.4-37.8176.9-71.7175.4000112.3E289 L290 I291 Q295 K296 I297 L306 L313 F344E289-L293 HydrophobicContact CG-CD1 4.3Å; E289-L293 WeakPolarHBondContact O-CG 3.24Å; E289-L293 PolarHBondContact O-N 3.33Å; L290-L293 PolarHBondContact O-N 2.77Å; I291-L293 PolarHBondContact O-N 3.19Å; L293-Q295 PolarHBondContact O-N 2.89Å; L293-K296 PolarHBondContact O-N 2.93Å; L293-I297 HydrophobicContact CB-CD1 4.13Å; L293-I297 WeakPolarHBondContact O-CB 3.23Å; L293-I297 WeakPolarHBondContact O-CG1 3.28Å; L293-I297 PolarHBondContact O-N 3.03Å; L293-L306 HydrophobicContact CB-CD2 3.66Å; L293-L313 HydrophobicContact CD1-CD1 4.27Å; L293-L313 HydrophobicContact CD1-CD2 4.19Å; L293-F344 HydrophobicContact CD1-CE1 4.18Å; L293-F344 HydrophobicContact CD1-CZ 4.06Å
294S91.6Very high89.7Confident45 Ų4572.2 Ų72.232%0.31534%0.338SS..Hα-helixtrans-62.4-26.9179.775.20000113.1L290 I291 K296L290-S294 WeakPolarHBondContact O-CB 3.5Å; L290-S294 PolarHBondContact O-N 2.87Å; I291-S294 PolarHBondContact O-N 2.83Å; I291-S294 PolarHBondContact O-OG 3.4Å; S294-K296 VanDerWaalsContact C-N 3.31Å
295Q92.1Very high89.8Confident142 Ų14273.8 Ų73.866%0.66435%0.353SS*.THydrogen-bonded Turntrans-78.6-15.2175.4-66172.5-2.400113.2I291 Y292 L293I291-Q295 WeakPolarHBondContact O-CG 3.05Å; I291-Q295 PolarHBondContact O-N 2.84Å; Y292-Q295 PolarHBondContact O-N 2.89Å; L293-Q295 PolarHBondContact O-N 2.89Å
296K92.7Very high90Very high43 Ų4367.7 Ų67.719%0.18733%0.33CS..THydrogen-bonded Turntrans-112.6-16.6-174.2-69-173.4164.4-151.80113.9Y292 L293 S294 S357 R358 F359Y292-K296 HydrophobicContact CE1-CD 3.98Å; Y292-K296 HydrophobicContact CE2-CD 4.04Å; Y292-K296 VanDerWaalsContact CE2-CE 3.47Å; Y292-K296 VanDerWaalsContact CZ-CE 3.43Å; Y292-K296 WeakPolarHBondContact OH-CE 3.32Å; Y292-K296 PolarHBondContact OH-NZ 2.9Å; L293-K296 PolarHBondContact O-N 2.93Å; S294-K296 VanDerWaalsContact C-N 3.31Å; K296-S357 WeakPolarHBondContact CD-O 3.36Å; K296-R358 CarbonylContact O-C 3.46Å; K296-R358 WeakPolarHBondContact O-CA 3.22Å; K296-F359 HydrophobicContact CB-CD2 4.36Å; K296-F359 PolarHBondContact O-N 3.28Å
297I94.4Very high90Very high13 Ų1368.9 Ų68.97%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-97126.2-177.7-71.9174000110L293 F299 L306 L349 F359 V361L293-I297 HydrophobicContact CB-CD1 4.13Å; L293-I297 WeakPolarHBondContact O-CB 3.23Å; L293-I297 WeakPolarHBondContact O-CG1 3.28Å; L293-I297 PolarHBondContact O-N 3.03Å; I297-F299 HydrophobicContact CG2-CD2 4.24Å; I297-F299 HydrophobicContact CG2-CE1 4.36Å; I297-F299 HydrophobicContact CG2-CE2 3.65Å; I297-F299 HydrophobicContact CG2-CZ 3.71Å; I297-L306 HydrophobicContact CD1-CD2 3.94Å; I297-L349 HydrophobicContact CD1-CD1 4.14Å; I297-F359 WeakPolarHBondContact CA-O 3.31Å; I297-F359 HydrophobicContact CG1-CB 4.12Å; I297-F359 HydrophobicContact CG1-CD2 4.31Å; I297-V361 HydrophobicContact CG2-CG2 3.57Å
298E92.8Very high90Very high83 Ų8367.9 Ų67.939%0.38834%0.337SS..EExtended strand (participates in β ladder)trans-117.4145.6171.8-65.4172.7-163.500108.8R358 F359 L360 V361E298-R358 IonicContact OE1-NH1 3.09Å; E298-R358 PolarHBondContact OE1-NH1 3.48Å; E298-F359 PolarHBondContact N-O 2.99Å; E298-L360 HydrophobicContact CB-CD1 4.11Å; E298-L360 CarbonylContact O-C 3.57Å; E298-L360 WeakPolarHBondContact O-CA 3.26Å; E298-V361 PolarHBondContact O-N 3.47Å
299F91.6Very high89.8Confident51 Ų5174.4 Ų74.422%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-108121.7-177.5-67.1-90.8000111I297 F304 L349 V361I297-F299 HydrophobicContact CG2-CD2 4.24Å; I297-F299 HydrophobicContact CG2-CE1 4.36Å; I297-F299 HydrophobicContact CG2-CE2 3.65Å; I297-F299 HydrophobicContact CG2-CZ 3.71Å; F299-F304 HydrophobicContact CD1-CB 4.36Å; F299-F304 HydrophobicContact CE1-CB 3.59Å; F299-F304 WeakPolarHBondContact CE2-O 3.42Å; F299-F304 HydrophobicContact CZ-CB 3.73Å; F299-F304 HydrophobicContact CZ-CD1 4.5Å; F299-F304 WeakPolarHBondContact CZ-O 3.14Å; F299-L349 HydrophobicContact CZ-CD1 4.46Å; F299-V361 HydrophobicContact CD1-CB 3.71Å; F299-V361 HydrophobicContact CD1-CG1 3.76Å; F299-V361 HydrophobicContact CD1-CG2 4.3Å; F299-V361 HydrophobicContact CE1-CB 3.93Å; F299-V361 HydrophobicContact CE1-CG1 3.82Å; F299-V361 HydrophobicContact CE1-CG2 4.06Å; F299-V361 HydrophobicContact CG-CB 4.43Å
300E89.8Confident89.6Confident123 Ų12375.1 Ų75.158%0.57538%0.378SS*.SBendtrans-86.1-27.6166.2-174.6-179.1-171.900110.9R352 L360 V361E300-R352 IonicContact OE2-CZ 2.75Å; E300-R352 IonicContact OE2-NH1 3.13Å; E300-R352 PolarHBondContact OE2-NH1 3.25Å; E300-L360 HydrophobicContact CB-CD1 4.15Å; E300-L360 HydrophobicContact CB-CD2 4.12Å; E300-L360 HydrophobicContact CB-CG 4.05Å; E300-L360 WeakPolarHBondContact OE2-CD2 3.41Å; E300-V361 PolarHBondContact N-O 3.2Å
301C85.7Confident89.5Confident28 Ų2876.1 Ų76.119%0.18938%0.382CS..SBendtrans-93.1-160.8175.666.40000111.8I303 F362C301-I303 PolarHBondContact O-N 2.61Å; C301-F362 WeakPolarHBondContact CB-O 3.45Å
302K84.8Confident89.6Confident153 Ų15377 Ų7767%0.66538%0.381SS*.SBendtrans-57.9129.2177-172.8176.5179.31790110.1F304 H364K302-F304 PolarHBondContact O-N 2.8Å; K302-H364 PolarHBondContact O-NE2 2.66Å
303I86.4Confident89.6Confident137 Ų13771.4 Ų71.470%0.70336%0.359SS*.  trans-60.5134.1178.8-61172.9000109.7C301C301-I303 PolarHBondContact O-N 2.61Å
304F85.3Confident89.7Confident33 Ų3372.6 Ų72.615%0.14537%0.367CS..  trans-121124.3178.3-179.9-95.7000110.3F299 K302 L306 R311 C347 L349 H364F299-F304 HydrophobicContact CD1-CB 4.36Å; F299-F304 HydrophobicContact CE1-CB 3.59Å; F299-F304 WeakPolarHBondContact CE2-O 3.42Å; F299-F304 HydrophobicContact CZ-CB 3.73Å; F299-F304 HydrophobicContact CZ-CD1 4.5Å; F299-F304 WeakPolarHBondContact CZ-O 3.14Å; K302-F304 PolarHBondContact O-N 2.8Å; F304-L306 HydrophobicContact CD1-CD1 4.39Å; F304-L306 HydrophobicContact CE1-CD1 4.39Å; F304-L306 PolarHBondContact O-N 2.86Å; F304-L306 VanDerWaalsContact O-N 3.1Å; F304-R311 VanDerWaalsContact CZ-CZ 3.49Å; F304-R311 VanDerWaalsContact CZ-NH2 3.32Å; F304-C347 HydrophobicContact CE2-CB 4.46Å; F304-C347 HydrophobicContact CZ-CB 4.03Å; F304-C347 WeakPolarHBondContact CZ-SG 3.37Å; F304-L349 HydrophobicContact CD1-CD2 4.21Å; F304-H364 AromaticContact CD2-CE1 3.87Å
305P87.3Confident89.8Confident94 Ų9470.6 Ų70.661%0.6135%0.353SS*.  trans-73.4105.1179.928.9-32.4000109.9R311P305-R311 PolarHBondContact O-NH1 3.18Å
306L88.4Confident89.9Confident10 Ų1065.8 Ų65.85%0.05234%0.335CS..  trans-72.1-37.2-172.7-163.369.4000113.6L290 L293 I297 F304 S308 R311 F344 L349L290-L306 HydrophobicContact CD2-CG 4.48Å; L293-L306 HydrophobicContact CB-CD2 3.66Å; I297-L306 HydrophobicContact CD1-CD2 3.94Å; F304-L306 HydrophobicContact CD1-CD1 4.39Å; F304-L306 HydrophobicContact CE1-CD1 4.39Å; F304-L306 PolarHBondContact O-N 2.86Å; F304-L306 VanDerWaalsContact O-N 3.1Å; L306-S308 PolarHBondContact O-N 3.26Å; L306-R311 VanDerWaalsContact C-NH1 3.28Å; L306-R311 PolarHBondContact O-NH1 3.29Å; L306-F344 HydrophobicContact CD1-CE1 4.18Å; L306-F344 HydrophobicContact CD1-CE2 3.85Å; L306-F344 HydrophobicContact CD1-CZ 3.56Å; L306-F344 HydrophobicContact CG-CZ 4.42Å; L306-L349 HydrophobicContact CD1-CD1 3.82Å
307I89.5Confident90Very high100 Ų10064.4 Ų64.451%0.51333%0.333SS..  trans-80.2118.2-176.8-56.4175.3000109.4I291I291-I307 HydrophobicContact CG1-CD1 4.28Å
308S88.9Confident90Very high41 Ų4169.4 Ų69.429%0.28736%0.356SS..  trans-148.7145.8175.1173.90000109.6L306 S310 R311L306-S308 PolarHBondContact O-N 3.26Å; S308-S310 PolarHBondContact O-N 2.75Å; S308-S310 PolarHBondContact OG-N 3.23Å; S308-S310 PolarHBondContact OG-OG 2.67Å; S308-R311 PolarHBondContact O-N 3.14Å
309Q83.4Confident90.1Very high201 Ų20165.8 Ų65.894%0.93934%0.339SS*.THydrogen-bonded Turntrans-65.1-27.5178.7-67.8-179.4-13.800113.1
310S87.5Confident90.2Very high72 Ų7264.7 Ų64.750%0.50334%0.336SS..THydrogen-bonded Turntrans-99.14.1-178.359.10000113.5S308 W312 N345S308-S310 PolarHBondContact O-N 2.75Å; S308-S310 PolarHBondContact OG-N 3.23Å; S308-S310 PolarHBondContact OG-OG 2.67Å; S310-W312 VanDerWaalsContact O-CZ3 3.27Å; S310-W312 WeakPolarHBondContact O-CZ3 3.44Å; S310-N345 PolarHBondContact O-ND2 3.32Å
311R92.3Very high90.3Very high22 Ų2258.9 Ų58.98%0.08331%0.31CS..  trans-101.2140.3-177.5-171.8171.3-59.7118.23.2111.3L290 F304 P305 L306 S308 F344 N345 D346L290-R311 HydrophobicContact CD1-CB 4.1Å; L290-R311 HydrophobicContact CD1-CG 4.47Å; L290-R311 WeakPolarHBondContact CD1-O 3.28Å; L290-R311 HydrophobicContact CD2-CG 4.36Å; F304-R311 VanDerWaalsContact CZ-CZ 3.49Å; F304-R311 VanDerWaalsContact CZ-NH2 3.32Å; P305-R311 PolarHBondContact O-NH1 3.18Å; L306-R311 VanDerWaalsContact C-NH1 3.28Å; L306-R311 PolarHBondContact O-NH1 3.29Å; S308-R311 PolarHBondContact O-N 3.14Å; R311-F344 HydrophobicContact CG-CB 3.87Å; R311-F344 HydrophobicContact CG-CD1 3.67Å; R311-F344 HydrophobicContact CG-CG 3.97Å; R311-N345 VanDerWaalsContact CA-OD1 3.28Å; R311-N345 WeakPolarHBondContact CA-OD1 3.22Å; R311-D346 WeakPolarHBondContact CD-OD1 3.43Å; R311-D346 IonicContact CZ-OD1 2.74Å; R311-D346 IonicContact CZ-OD2 3.56Å; R311-D346 VanDerWaalsContact CZ-OD2 3.26Å; R311-D346 VanDerWaalsContact NE-CG 3.32Å; R311-D346 IonicContact NE-OD1 2.91Å; R311-D346 PolarHBondContact NE-OD1 3.44Å; R311-D346 IonicContact NE-OD2 2.99Å; R311-D346 PolarHBondContact NE-OD2 3.21Å; R311-D346 IonicContact NH2-OD2 3.71Å; R311-D346 PolarHBondContact NH2-OD2 2.78Å
312W91.9Very high90.5Very high91 Ų9158 Ų5835%0.34530%0.303SS..  trans-148.7151.7168.863.590.8000111.3R286 S310 V314 F344 N345R286-W312 HydrophobicContact CB-CB 3.98Å; R286-W312 HydrophobicContact CG-CB 3.65Å; S310-W312 VanDerWaalsContact O-CZ3 3.27Å; S310-W312 WeakPolarHBondContact O-CZ3 3.44Å; W312-V314 PolarHBondContact O-N 2.95Å; W312-F344 WeakPolarHBondContact O-CA 3.24Å; W312-F344 WeakPolarHBondContact O-CB 3.48Å; W312-N345 HydrophobicContact CD2-CB 3.77Å; W312-N345 HydrophobicContact CE3-CB 4.18Å; W312-N345 VanDerWaalsContact CE3-ND2 3.33Å; W312-N345 HydrophobicContact CG-CB 4.35Å; W312-N345 HydrophobicContact CH2-CB 3.92Å; W312-N345 WeakPolarHBondContact CH2-ND2 3.34Å; W312-N345 HydrophobicContact CZ2-CB 3.46Å; W312-N345 VanDerWaalsContact CZ2-CB 3.46Å; W312-N345 HydrophobicContact CZ3-CB 4.26Å; W312-N345 WeakPolarHBondContact CZ3-ND2 3.47Å; W312-N345 PolarHBondContact N-OD1 2.83Å; W312-N345 PolarHBondContact O-N 3.3Å; W312-N345 VanDerWaalsContact O-N 3.08Å; W312-N345 PolarHBondContact O-OD1 3.38Å
313L93.8Very high90.5Very high8 Ų854.3 Ų54.34%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-74.9122.2177.1-172.274.4000109.3E289 L293 H342 L343 F344 N448E289-L313 HydrophobicContact CG-CD2 4.44Å; E289-L313 VanDerWaalsContact OE1-CD2 3.25Å; E289-L313 WeakPolarHBondContact OE1-CD2 3.35Å; L293-L313 HydrophobicContact CD1-CD1 4.27Å; L293-L313 HydrophobicContact CD1-CD2 4.19Å; L313-H342 HydrophobicContact CD1-CB 4.14Å; L313-L343 WeakPolarHBondContact CD1-O 3.4Å; L313-F344 HydrophobicContact CB-CD1 4.25Å; L313-F344 HydrophobicContact CB-CE1 4.1Å; L313-F344 HydrophobicContact CD1-CD1 4.12Å; L313-F344 HydrophobicContact CD1-CE1 3.71Å; L313-F344 HydrophobicContact CD1-CE2 4.31Å; L313-F344 HydrophobicContact CD1-CZ 3.81Å; L313-N448 PolarHBondContact O-ND2 3.27Å
314V92.6Very high90Very high35 Ų3552 Ų5221%0.21227%0.273CS..EExtended strand (participates in β ladder)trans-87.9-47.3176.5174.50000110.3W312 L343 N345 A418 N448W312-V314 PolarHBondContact O-N 2.95Å; V314-L343 WeakPolarHBondContact CA-O 3.41Å; V314-L343 HydrophobicContact CB-CD2 4.36Å; V314-L343 HydrophobicContact CB-CG 4.22Å; V314-L343 HydrophobicContact CG1-CD2 4.18Å; V314-L343 PolarHBondContact N-O 3.21Å; V314-N345 HydrophobicContact CG2-CB 4.07Å; V314-A418 HydrophobicContact CG1-CB 4.15Å; V314-N448 WeakPolarHBondContact O-CB 3.37Å
315K93.9Very high88.9Confident3 Ų352.2 Ų52.21%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-154.3147.8175.9-167.4171.1175.174.20110.8L343 E411 W415 A418 E447 D449K315-L343 PolarHBondContact N-O 3.15Å; K315-L343 VanDerWaalsContact N-O 3.16Å; K315-L343 WeakPolarHBondContact O-CB 3.44Å; K315-L343 PolarHBondContact O-N 3.46Å; K315-E411 WeakPolarHBondContact CE-OE2 3.44Å; K315-E411 IonicContact NZ-OE1 2.63Å; K315-E411 PolarHBondContact NZ-OE1 2.84Å; K315-E411 IonicContact NZ-OE2 3.06Å; K315-E411 PolarHBondContact NZ-OE2 3.23Å; K315-W415 HydrophobicContact CB-CH2 4.1Å; K315-W415 HydrophobicContact CB-CZ3 4.09Å; K315-W415 HydrophobicContact CD-CD2 3.81Å; K315-W415 HydrophobicContact CD-CE3 4.07Å; K315-W415 HydrophobicContact CD-CG 4.25Å; K315-W415 HydrophobicContact CD-CH2 4.29Å; K315-W415 HydrophobicContact CD-CZ2 4.06Å; K315-W415 HydrophobicContact CD-CZ3 4.3Å; K315-W415 VanDerWaalsContact CE-CE2 3.5Å; K315-W415 VanDerWaalsContact CE-NE1 3.35Å; K315-W415 HydrophobicContact CG-CD2 4.45Å; K315-W415 HydrophobicContact CG-CE3 4.44Å; K315-W415 HydrophobicContact CG-CH2 3.88Å; K315-W415 HydrophobicContact CG-CZ2 3.88Å; K315-W415 HydrophobicContact CG-CZ3 4.17Å; K315-A418 HydrophobicContact CB-CB 4.45Å; K315-E447 IonicContact NZ-OE2 3.88Å; K315-E447 PolarHBondContact NZ-OE2 3.32Å; K315-D449 IonicContact NZ-OD1 2.8Å; K315-D449 IonicContact NZ-OD2 2.61Å; K315-D449 PolarHBondContact NZ-OD2 2.74Å
316S94.9Very high87.4Confident41 Ų4152.6 Ų52.629%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-140.1141.7175.7172.30000109.8H340 L341 H342S316-H340 PolarHBondContact OG-NE2 2.95Å; S316-L341 VanDerWaalsContact CA-O 3.27Å; S316-L341 WeakPolarHBondContact CA-O 3.46Å; S316-H342 PolarHBondContact OG-CD2 3.36Å
317G94.4Very high85.9Confident14 Ų1454.5 Ų54.514%0.14430%0.304CS..EExtended strand (participates in β ladder)trans175.9157.6178.500000114.1H340 L341G317-H340 VanDerWaalsContact C-CE1 3.48Å; G317-H340 PolarHBondContact N-NE2 2.86Å; G317-H340 WeakPolarHBondContact O-CA 3.25Å; G317-L341 PolarHBondContact N-O 2.89Å; G317-L341 VanDerWaalsContact N-O 3.12Å; G317-L341 PolarHBondContact O-N 2.94Å
318E94.7Very high84Confident118 Ų11856.3 Ų56.355%0.55132%0.322SS*.EExtended strand (participates in β ladder)trans-84132.9174.5-171.3179.5123.200110.5P338 H340E318-P338 HydrophobicContact CG-CB 4.35Å; E318-H340 PolarHBondContact N-ND1 3.33Å
319L94.6Very high82.5Confident6 Ų658.6 Ų58.63%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-126.3152.5177.2-62.1-179.1000110.6V339 L341 F387 F404 T406 W415L319-V339 PolarHBondContact N-O 3.43Å; L319-V339 PolarHBondContact O-N 2.68Å; L319-L341 HydrophobicContact CD1-CD1 3.43Å; L319-L341 VanDerWaalsContact CD1-CD1 3.43Å; L319-L341 HydrophobicContact CD1-CG 3.95Å; L319-F387 HydrophobicContact CD1-CE1 3.88Å; L319-F387 HydrophobicContact CD1-CZ 3.57Å; L319-F404 HydrophobicContact CB-CB 4.43Å; L319-F404 HydrophobicContact CB-CD1 3.7Å; L319-F404 HydrophobicContact CB-CE1 4.28Å; L319-F404 HydrophobicContact CB-CG 4.23Å; L319-F404 HydrophobicContact CD1-CB 4.09Å; L319-F404 HydrophobicContact CD1-CD1 4.09Å; L319-F404 HydrophobicContact CD1-CD2 4.25Å; L319-F404 HydrophobicContact CD1-CG 3.89Å; L319-T406 HydrophobicContact CD2-CG2 3.48Å; L319-T406 VanDerWaalsContact CD2-CG2 3.48Å; L319-W415 HydrophobicContact CD1-CD2 4.4Å
320T93.6Very high81.3Confident28 Ų2855.5 Ų55.517%0.17234%0.342CS..EExtended strand (participates in β ladder)trans-90.5107.9170.9-45.90000109.5L322 T336 R405T320-L322 HydrophobicContact CG2-CD2 4.35Å; T320-T336 HydrophobicContact CG2-CG2 4.11Å; T320-R405 PolarHBondContact N-O 2.93Å; T320-R405 PolarHBondContact O-N 2.88Å; T320-R405 PolarHBondContact OG1-NH2 3.33Å; T320-R405 VanDerWaalsContact OG1-NH2 3.09Å
321A92.6Very high80Confident2 Ų263.2 Ų63.22%0.01736%0.36CS..EExtended strand (participates in β ladder)trans-74.7135.3169.600000110.4T336 R337 V339 L403 F404A321-T336 VanDerWaalsContact O-CA 3.3Å; A321-T336 WeakPolarHBondContact O-CA 3.5Å; A321-R337 HydrophobicContact CB-CG 3.64Å; A321-R337 PolarHBondContact N-O 3.36Å; A321-R337 PolarHBondContact O-N 3.04Å; A321-V339 HydrophobicContact CB-CG2 3.79Å; A321-L403 WeakPolarHBondContact CA-O 3.41Å; A321-F404 HydrophobicContact CB-CD1 3.93Å; A321-F404 HydrophobicContact CB-CE1 3.63Å
322L89.9Confident78.5Confident9 Ų972.1 Ų72.15%0.04739%0.393CS..EExtended strand (participates in β ladder)trans-105.3123.3178.3-61.5-170.6000109.9T320 L334 T336 L379 L386 L403T320-L322 HydrophobicContact CG2-CD2 4.35Å; L322-L334 HydrophobicContact CB-CD1 4.01Å; L322-L334 HydrophobicContact CD2-CD1 4.48Å; L322-L334 HydrophobicContact CD2-CD2 4.36Å; L322-T336 HydrophobicContact CD2-CG2 3.56Å; L322-L379 HydrophobicContact CD1-CD1 4.03Å; L322-L386 HydrophobicContact CD1-CD2 3.58Å; L322-L403 HydrophobicContact CB-CB 4.24Å; L322-L403 HydrophobicContact CB-CD2 4.03Å; L322-L403 HydrophobicContact CB-CG 4.14Å; L322-L403 HydrophobicContact CD1-CD2 3.98Å; L322-L403 HydrophobicContact CD1-CG 4.21Å; L322-L403 PolarHBondContact N-O 2.99Å
323E84.8Confident77.5Confident75 Ų7574.7 Ų74.735%0.3541%0.407SS..EExtended strand (participates in β ladder)trans-118.8128.6178.6-64.9-175.9155.600110.5N335 R337E323-N335 HydrophobicContact CB-CB 4.37Å; E323-N335 PolarHBondContact N-O 2.82Å; E323-N335 PolarHBondContact O-N 2.9Å; E323-R337 IonicContact OE1-CZ 3.83Å; E323-R337 IonicContact OE1-NE 3.33Å; E323-R337 PolarHBondContact OE1-NE 2.83Å; E323-R337 VanDerWaalsContact OE1-NE 3.13Å; E323-R337 IonicContact OE1-NH1 3.86Å; E323-R337 PolarHBondContact OE1-NH1 2.87Å; E323-R337 IonicContact OE1-NH2 3.17Å; E323-R337 PolarHBondContact OE1-NH2 3.06Å; E323-R337 VanDerWaalsContact OE1-NH2 3.13Å
324F74.8Confident76.6Confident88 Ų8876.6 Ų76.639%0.38642%0.417SS..EExtended strand (participates in β ladder)trans-93.6109173.9-61.8-82.1000109A326 L334 M377 L379 L403F324-A326 PolarHBondContact O-N 2.54Å; F324-L334 HydrophobicContact CD1-CD1 3.95Å; F324-L334 HydrophobicContact CE1-CD1 3.65Å; F324-L334 HydrophobicContact CZ-CD1 3.96Å; F324-M377 HydrophobicContact CE2-CE 4.16Å; F324-M377 HydrophobicContact CZ-CE 3.8Å; F324-L379 HydrophobicContact CE1-CD2 4.25Å; F324-L379 HydrophobicContact CZ-CD2 4.03Å; F324-L403 HydrophobicContact CE2-CD2 3.7Å; F324-L403 HydrophobicContact CZ-CD2 4.02Å
325S63.4Low76.3Confident39 Ų3978.1 Ų78.127%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-73.2118.3172.7640000109.5S327 K333S325-S327 VanDerWaalsContact C-N 3.35Å; S325-S327 PolarHBondContact O-N 2.97Å; S325-S327 VanDerWaalsContact O-N 3.17Å; S325-K333 PolarHBondContact N-O 2.91Å; S325-K333 PolarHBondContact OG-O 3.38Å
326A56Low76Confident101 Ų10182 Ų8284%0.83545%0.448SS*.  trans-8477.5171.400000109.9F324 P328F324-A326 PolarHBondContact O-N 2.54Å; A326-P328 WeakPolarHBondContact O-CD 3.43Å
327S55.4Low75.9Confident51 Ų5183.5 Ų83.536%0.35745%0.447SS..  trans-84.6117.7164.148.30000108.7S325 G329S325-S327 VanDerWaalsContact C-N 3.35Å; S325-S327 PolarHBondContact O-N 2.97Å; S325-S327 VanDerWaalsContact O-N 3.17Å; S327-G329 PolarHBondContact O-N 2.85Å; S327-G329 VanDerWaalsContact O-N 3.16Å
328P50.3Low75.8Confident137 Ų13786.1 Ų86.189%0.8946%0.462SS*.THydrogen-bonded Turntrans-62.2119.4176.822.1-28000109.6A326A326-P328 WeakPolarHBondContact O-CD 3.43Å
329G58.1Low75.8Confident89 Ų8980.5 Ų80.592%0.91844%0.436SS*.THydrogen-bonded Turntrans101.9-7.217200000117.9S327S327-G329 PolarHBondContact O-N 2.85Å; S327-G329 VanDerWaalsContact O-N 3.16Å
330L57.4Low75.9Confident137 Ų13781.3 Ų81.372%0.71744%0.439SS*.SBendtrans-122.1147.5176.6-162.363.8000111.6R332L330-R332 PolarHBondContact O-N 3.13Å
331R59.5Low76.1Confident234 Ų23480 Ų8088%0.88343%0.431SS*.  trans-43.8127.7177-68.5-176.3178.1-175.6-0.1109.9K333R331-K333 PolarHBondContact O-N 2.9Å
332R62.1Low76.2Confident208 Ų20879.9 Ų79.979%0.78543%0.43SS*.  trans-49.2106.6180-69.3-177.4-169.61723109.7L330L330-R332 PolarHBondContact O-N 3.13Å
333K69.6Low76.5Confident145 Ų14579.5 Ų79.563%0.6343%0.428SS*.EExtended strand (participates in β ladder)trans-78.6124.3174.2-168.8175.7178.1-178.90108S325 R331S325-K333 PolarHBondContact N-O 2.91Å; S325-K333 PolarHBondContact OG-O 3.38Å; R331-K333 PolarHBondContact O-N 2.9Å
334L76.6Confident77Confident48 Ų4875.9 Ų75.925%0.25141%0.411SS..EExtended strand (participates in β ladder)trans-85.5113.3175.5-176.263.4000108.1L322 F324L322-L334 HydrophobicContact CB-CD1 4.01Å; L322-L334 HydrophobicContact CD2-CD1 4.48Å; L322-L334 HydrophobicContact CD2-CD2 4.36Å; F324-L334 HydrophobicContact CD1-CD1 3.95Å; F324-L334 HydrophobicContact CE1-CD1 3.65Å; F324-L334 HydrophobicContact CZ-CD1 3.96Å
335N85Confident77.8Confident67 Ų6773.8 Ų73.836%0.35840%0.404SS..EExtended strand (participates in β ladder)trans-94.9147.6171.6-69.8-19.1000109.4E323E323-N335 HydrophobicContact CB-CB 4.37Å; E323-N335 PolarHBondContact N-O 2.82Å; E323-N335 PolarHBondContact O-N 2.9Å
336T89.1Confident79.1Confident86 Ų8674.4 Ų74.453%0.52840%0.404SS..EExtended strand (participates in β ladder)trans-126.1136.3179.360.60000110.1T320 A321 L322T320-T336 HydrophobicContact CG2-CG2 4.11Å; A321-T336 VanDerWaalsContact O-CA 3.3Å; A321-T336 WeakPolarHBondContact O-CA 3.5Å; L322-T336 HydrophobicContact CD2-CG2 3.56Å
337R91.2Very high80.9Confident72 Ų7269.7 Ų69.727%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-133.3140.3175.564.3178.8-173.7-169.6-6111.2A321 E323 V339A321-R337 HydrophobicContact CB-CG 3.64Å; A321-R337 PolarHBondContact N-O 3.36Å; A321-R337 PolarHBondContact O-N 3.04Å; E323-R337 IonicContact OE1-CZ 3.83Å; E323-R337 IonicContact OE1-NE 3.33Å; E323-R337 PolarHBondContact OE1-NE 2.83Å; E323-R337 VanDerWaalsContact OE1-NE 3.13Å; E323-R337 IonicContact OE1-NH1 3.86Å; E323-R337 PolarHBondContact OE1-NH1 2.87Å; E323-R337 IonicContact OE1-NH2 3.17Å; E323-R337 PolarHBondContact OE1-NH2 3.06Å; E323-R337 VanDerWaalsContact OE1-NH2 3.13Å; R337-V339 HydrophobicContact CG-CG2 4.11Å
338P93.1Very high82.8Confident68 Ų6867.3 Ų67.344%0.44235%0.348SS..EExtended strand (participates in β ladder)trans-70.8133.9170.730-32.9000109.7E318 P353E318-P338 HydrophobicContact CG-CB 4.35Å; P338-P353 HydrophobicContact CB-CG 4.39Å
339V95.4Very high84.9Confident1 Ų160.8 Ų60.81%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-136.1127.3174.2174.10000107.7L319 A321 R337 L341 L350 F362 F404L319-V339 PolarHBondContact N-O 3.43Å; L319-V339 PolarHBondContact O-N 2.68Å; A321-V339 HydrophobicContact CB-CG2 3.79Å; R337-V339 HydrophobicContact CG-CG2 4.11Å; V339-L341 HydrophobicContact CG1-CD2 4.11Å; V339-L350 HydrophobicContact CG1-CB 4.39Å; V339-F362 HydrophobicContact CG1-CE1 4.13Å; V339-F362 HydrophobicContact CG1-CZ 4.01Å; V339-F362 HydrophobicContact CG2-CE1 4.4Å; V339-F362 HydrophobicContact CG2-CZ 4.21Å; V339-F404 HydrophobicContact CB-CE1 3.89Å; V339-F404 HydrophobicContact CB-CZ 4.5Å; V339-F404 HydrophobicContact CG1-CE1 4.05Å; V339-F404 HydrophobicContact CG1-CZ 4.16Å; V339-F404 HydrophobicContact CG2-CE1 4.31Å
340H96.2Very high86.7Confident23 Ų2356.5 Ų56.511%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-97.5123175.7-160.4102.9000109.7S316 G317 E318 H342 S351 F359S316-H340 PolarHBondContact OG-NE2 2.95Å; G317-H340 VanDerWaalsContact C-CE1 3.48Å; G317-H340 PolarHBondContact N-NE2 2.86Å; G317-H340 WeakPolarHBondContact O-CA 3.25Å; E318-H340 PolarHBondContact N-ND1 3.33Å; H340-H342 AromaticContact CD2-CE1 3.25Å; H340-H342 PolarHBondContact CD2-CE1 2.83Å; H340-H342 AromaticContact CD2-ND1 3.74Å; H340-H342 AromaticContact CD2-NE2 3.47Å; H340-H342 PolarHBondContact CD2-NE2 3.47Å; H340-H342 AromaticContact NE2-CE1 3.94Å; H340-H342 AromaticContact NE2-NE2 3.67Å; H340-S351 PolarHBondContact N-O 3.24Å; H340-S351 PolarHBondContact O-N 3.34Å; H340-S351 PolarHBondContact O-OG 3.27Å; H340-F359 HydrophobicContact CB-CD1 4.02Å; H340-F359 HydrophobicContact CB-CE1 4.04Å; H340-F359 AromaticContact CD2-CE1 3.81Å; H340-F359 AromaticContact CE1-CE1 3.89Å; H340-F359 AromaticContact CG-CD1 3.94Å; H340-F359 AromaticContact CG-CE1 3.52Å; H340-F359 AromaticContact ND1-CE1 3.61Å
341L96.6Very high88.5Confident0 Ų050 Ų500%023%0.228CC..EExtended strand (participates in β ladder)trans-96133.7177-65.8-170.1000109.9S316 G317 L319 V339 L348 L349 L350 F404 W415S316-L341 VanDerWaalsContact CA-O 3.27Å; S316-L341 WeakPolarHBondContact CA-O 3.46Å; G317-L341 PolarHBondContact N-O 2.89Å; G317-L341 VanDerWaalsContact N-O 3.12Å; G317-L341 PolarHBondContact O-N 2.94Å; L319-L341 HydrophobicContact CD1-CD1 3.43Å; L319-L341 VanDerWaalsContact CD1-CD1 3.43Å; L319-L341 HydrophobicContact CD1-CG 3.95Å; V339-L341 HydrophobicContact CG1-CD2 4.11Å; L341-L348 HydrophobicContact CB-CD1 4.17Å; L341-L348 HydrophobicContact CD2-CD1 4.28Å; L341-L349 WeakPolarHBondContact CA-O 3.45Å; L341-L350 HydrophobicContact CD2-CB 4.38Å; L341-L350 HydrophobicContact CD2-CD1 4.47Å; L341-L350 HydrophobicContact CD2-CD2 4.3Å; L341-L350 HydrophobicContact CD2-CG 3.65Å; L341-F404 HydrophobicContact CD1-CE2 4.24Å; L341-F404 HydrophobicContact CD2-CE2 4.47Å; L341-F404 HydrophobicContact CD2-CZ 4.17Å; L341-W415 HydrophobicContact CB-CH2 3.51Å; L341-W415 HydrophobicContact CB-CZ2 4.17Å; L341-W415 HydrophobicContact CB-CZ3 3.9Å; L341-W415 HydrophobicContact CD1-CE3 4.19Å; L341-W415 HydrophobicContact CD1-CH2 4.26Å; L341-W415 HydrophobicContact CD1-CZ3 3.98Å; L341-W415 HydrophobicContact CG-CH2 4.47Å
342H96.2Very high90.2Very high0 Ų043.4 Ų43.40%020%0.203CC..EExtended strand (participates in β ladder)trans-117.7101165.5-57.688.1000108.1L313 S316 H340 F344 L349 F359L313-H342 HydrophobicContact CD1-CB 4.14Å; S316-H342 PolarHBondContact OG-CD2 3.36Å; H340-H342 AromaticContact CD2-CE1 3.25Å; H340-H342 PolarHBondContact CD2-CE1 2.83Å; H340-H342 AromaticContact CD2-ND1 3.74Å; H340-H342 AromaticContact CD2-NE2 3.47Å; H340-H342 PolarHBondContact CD2-NE2 3.47Å; H340-H342 AromaticContact NE2-CE1 3.94Å; H340-H342 AromaticContact NE2-NE2 3.67Å; H342-F344 HydrophobicContact CB-CE2 3.67Å; H342-F344 HydrophobicContact CB-CZ 4.07Å; H342-L349 HydrophobicContact CB-CB 4.22Å; H342-L349 PolarHBondContact N-O 2.9Å; H342-L349 PolarHBondContact O-N 3.3Å; H342-F359 AromaticContact CE1-CD1 3.77Å; H342-F359 AromaticContact CE1-CD2 3.81Å; H342-F359 AromaticContact CE1-CG 3.59Å; H342-F359 AromaticContact NE2-CD2 3.84Å; H342-F359 AromaticContact NE2-CE2 3.83Å
343L95.5Very high91.6Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-92117.3177.4179.965.5000109L313 V314 K315 L348 F367 I370 W415 A418 L419L313-L343 WeakPolarHBondContact CD1-O 3.4Å; V314-L343 WeakPolarHBondContact CA-O 3.41Å; V314-L343 HydrophobicContact CB-CD2 4.36Å; V314-L343 HydrophobicContact CB-CG 4.22Å; V314-L343 HydrophobicContact CG1-CD2 4.18Å; V314-L343 PolarHBondContact N-O 3.21Å; K315-L343 PolarHBondContact N-O 3.15Å; K315-L343 VanDerWaalsContact N-O 3.16Å; K315-L343 WeakPolarHBondContact O-CB 3.44Å; K315-L343 PolarHBondContact O-N 3.46Å; L343-L348 HydrophobicContact CB-CD1 3.93Å; L343-L348 HydrophobicContact CD1-CB 4.08Å; L343-L348 HydrophobicContact CD1-CD1 4.03Å; L343-F367 HydrophobicContact CD1-CD2 3.9Å; L343-F367 HydrophobicContact CD1-CE2 4Å; L343-I370 HydrophobicContact CD1-CD1 3.68Å; L343-W415 HydrophobicContact CB-CZ3 4.03Å; L343-W415 HydrophobicContact CD2-CZ3 4.48Å; L343-A418 HydrophobicContact CD2-CB 3.63Å; L343-L419 HydrophobicContact CD1-CD2 4.01Å; L343-L419 HydrophobicContact CD2-CD2 4.04Å; L343-L419 HydrophobicContact CD2-CG 4.38Å
344F94.8Very high92.5Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-99.7167.2169.1-57.7-87.8000109.8L290 L293 L306 R311 W312 L313 H342 D346 C347 L349L290-F344 HydrophobicContact CD2-CD1 3.96Å; L290-F344 HydrophobicContact CD2-CE1 3.48Å; L290-F344 VanDerWaalsContact CD2-CE1 3.48Å; L290-F344 HydrophobicContact CD2-CZ 4.5Å; L293-F344 HydrophobicContact CD1-CE1 4.18Å; L293-F344 HydrophobicContact CD1-CZ 4.06Å; L306-F344 HydrophobicContact CD1-CE1 4.18Å; L306-F344 HydrophobicContact CD1-CE2 3.85Å; L306-F344 HydrophobicContact CD1-CZ 3.56Å; L306-F344 HydrophobicContact CG-CZ 4.42Å; R311-F344 HydrophobicContact CG-CB 3.87Å; R311-F344 HydrophobicContact CG-CD1 3.67Å; R311-F344 HydrophobicContact CG-CG 3.97Å; W312-F344 WeakPolarHBondContact O-CA 3.24Å; W312-F344 WeakPolarHBondContact O-CB 3.48Å; L313-F344 HydrophobicContact CB-CD1 4.25Å; L313-F344 HydrophobicContact CB-CE1 4.1Å; L313-F344 HydrophobicContact CD1-CD1 4.12Å; L313-F344 HydrophobicContact CD1-CE1 3.71Å; L313-F344 HydrophobicContact CD1-CE2 4.31Å; L313-F344 HydrophobicContact CD1-CZ 3.81Å; H342-F344 HydrophobicContact CB-CE2 3.67Å; H342-F344 HydrophobicContact CB-CZ 4.07Å; F344-D346 PolarHBondContact O-N 3.19Å; F344-C347 CarbonylContact C-O 3.54Å; F344-C347 WeakPolarHBondContact CA-O 3.38Å; F344-C347 WeakPolarHBondContact CB-O 3.15Å; F344-C347 PolarHBondContact N-O 3.49Å; F344-C347 VanDerWaalsContact O-O 3.11Å; F344-L349 HydrophobicContact CD2-CG 4.31Å; F344-L349 HydrophobicContact CE2-CD1 3.69Å; F344-L349 HydrophobicContact CE2-CG 3.84Å; F344-L349 HydrophobicContact CZ-CD1 4.45Å
345N91.8Very high92.9Very high44 Ų4442.5 Ų42.524%0.23521%0.207CC..SBendtrans-62.2-23.5176.366.1-52.9000113.8S310 R311 W312 V314S310-N345 PolarHBondContact O-ND2 3.32Å; R311-N345 VanDerWaalsContact CA-OD1 3.28Å; R311-N345 WeakPolarHBondContact CA-OD1 3.22Å; W312-N345 HydrophobicContact CD2-CB 3.77Å; W312-N345 HydrophobicContact CE3-CB 4.18Å; W312-N345 VanDerWaalsContact CE3-ND2 3.33Å; W312-N345 HydrophobicContact CG-CB 4.35Å; W312-N345 HydrophobicContact CH2-CB 3.92Å; W312-N345 WeakPolarHBondContact CH2-ND2 3.34Å; W312-N345 HydrophobicContact CZ2-CB 3.46Å; W312-N345 VanDerWaalsContact CZ2-CB 3.46Å; W312-N345 HydrophobicContact CZ3-CB 4.26Å; W312-N345 WeakPolarHBondContact CZ3-ND2 3.47Å; W312-N345 PolarHBondContact N-OD1 2.83Å; W312-N345 PolarHBondContact O-N 3.3Å; W312-N345 VanDerWaalsContact O-N 3.08Å; W312-N345 PolarHBondContact O-OD1 3.38Å; V314-N345 HydrophobicContact CG2-CB 4.07Å
346D91.7Very high92.7Very high52 Ų5242.6 Ų42.628%0.27822%0.224SC..SBendtrans-116.1-12.6-176.770.2-21.7000114.1R311 F344 P366 F367R311-D346 WeakPolarHBondContact CD-OD1 3.43Å; R311-D346 IonicContact CZ-OD1 2.74Å; R311-D346 IonicContact CZ-OD2 3.56Å; R311-D346 VanDerWaalsContact CZ-OD2 3.26Å; R311-D346 VanDerWaalsContact NE-CG 3.32Å; R311-D346 IonicContact NE-OD1 2.91Å; R311-D346 PolarHBondContact NE-OD1 3.44Å; R311-D346 IonicContact NE-OD2 2.99Å; R311-D346 PolarHBondContact NE-OD2 3.21Å; R311-D346 IonicContact NH2-OD2 3.71Å; R311-D346 PolarHBondContact NH2-OD2 2.78Å; F344-D346 PolarHBondContact O-N 3.19Å; D346-P366 WeakPolarHBondContact O-CA 3.46Å; D346-F367 PolarHBondContact O-N 2.88Å
347C93.3Very high92.5Very high2 Ų242.2 Ų42.21%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-159.3166.2-176.164.90000113.4F304 F344 A365F304-C347 HydrophobicContact CE2-CB 4.46Å; F304-C347 HydrophobicContact CZ-CB 4.03Å; F304-C347 WeakPolarHBondContact CZ-SG 3.37Å; F344-C347 CarbonylContact C-O 3.54Å; F344-C347 WeakPolarHBondContact CA-O 3.38Å; F344-C347 WeakPolarHBondContact CB-O 3.15Å; F344-C347 PolarHBondContact N-O 3.49Å; F344-C347 VanDerWaalsContact O-O 3.11Å; C347-A365 CarbonylContact C-O 3.6Å; C347-A365 VanDerWaalsContact CA-O 3.28Å; C347-A365 WeakPolarHBondContact CA-O 3.34Å; C347-A365 WeakPolarHBondContact CB-O 3.44Å
348L95.1Very high92.6Very high0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-125.5131.3173.5175.364.6000109.7L341 L343 L350 H364 A365 I370 L389 L391 L419L341-L348 HydrophobicContact CB-CD1 4.17Å; L341-L348 HydrophobicContact CD2-CD1 4.28Å; L343-L348 HydrophobicContact CB-CD1 3.93Å; L343-L348 HydrophobicContact CD1-CB 4.08Å; L343-L348 HydrophobicContact CD1-CD1 4.03Å; L348-L350 HydrophobicContact CD2-CD1 4.16Å; L348-L350 HydrophobicContact CG-CD1 4.06Å; L348-H364 CarbonylContact O-C 3.58Å; L348-H364 WeakPolarHBondContact O-CA 3.35Å; L348-H364 WeakPolarHBondContact O-CB 3.48Å; L348-A365 PolarHBondContact N-O 3.48Å; L348-A365 PolarHBondContact O-N 2.92Å; L348-I370 HydrophobicContact CB-CD1 3.95Å; L348-I370 HydrophobicContact CB-CG2 4.18Å; L348-I370 HydrophobicContact CD2-CD1 4.21Å; L348-I370 HydrophobicContact CD2-CG2 4.32Å; L348-L389 HydrophobicContact CD2-CD1 3.86Å; L348-L389 HydrophobicContact CD2-CD2 3.54Å; L348-L389 HydrophobicContact CD2-CG 4.32Å; L348-L391 HydrophobicContact CD2-CD2 4.33Å; L348-L419 HydrophobicContact CD2-CD2 4.25Å
349L95.5Very high92.7Very high0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-107.7134172-46.3-177.8000110.5I297 F299 F304 L306 L341 H342 F344 V361 H364I297-L349 HydrophobicContact CD1-CD1 4.14Å; F299-L349 HydrophobicContact CZ-CD1 4.46Å; F304-L349 HydrophobicContact CD1-CD2 4.21Å; L306-L349 HydrophobicContact CD1-CD1 3.82Å; L341-L349 WeakPolarHBondContact CA-O 3.45Å; H342-L349 HydrophobicContact CB-CB 4.22Å; H342-L349 PolarHBondContact N-O 2.9Å; H342-L349 PolarHBondContact O-N 3.3Å; F344-L349 HydrophobicContact CD2-CG 4.31Å; F344-L349 HydrophobicContact CE2-CD1 3.69Å; F344-L349 HydrophobicContact CE2-CG 3.84Å; F344-L349 HydrophobicContact CZ-CD1 4.45Å; L349-V361 HydrophobicContact CB-CG1 4.28Å; L349-V361 HydrophobicContact CB-CG2 4.19Å; L349-V361 HydrophobicContact CD1-CG2 4.26Å; L349-H364 HydrophobicContact CD2-CB 3.45Å; L349-H364 VanDerWaalsContact CD2-CB 3.45Å
350L95.4Very high92.7Very high0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-107.9122.5172.9-68.480.9000108.9V339 L341 L348 V361 F362 D363 L389 L391 F402V339-L350 HydrophobicContact CG1-CB 4.39Å; L341-L350 HydrophobicContact CD2-CB 4.38Å; L341-L350 HydrophobicContact CD2-CD1 4.47Å; L341-L350 HydrophobicContact CD2-CD2 4.3Å; L341-L350 HydrophobicContact CD2-CG 3.65Å; L348-L350 HydrophobicContact CD2-CD1 4.16Å; L348-L350 HydrophobicContact CG-CD1 4.06Å; L350-V361 WeakPolarHBondContact O-CA 3.27Å; L350-F362 HydrophobicContact CB-CE1 4Å; L350-F362 HydrophobicContact CB-CE2 3.88Å; L350-F362 HydrophobicContact CB-CZ 3.6Å; L350-F362 HydrophobicContact CD2-CE2 4.23Å; L350-F362 HydrophobicContact CD2-CZ 4.17Å; L350-F362 WeakPolarHBondContact O-CD1 3.46Å; L350-F362 PolarHBondContact O-N 3.35Å; L350-D363 PolarHBondContact N-O 2.71Å; L350-D363 PolarHBondContact O-N 3.28Å; L350-L389 HydrophobicContact CD2-CD2 4.45Å; L350-L391 HydrophobicContact CD1-CD1 3.98Å; L350-F402 HydrophobicContact CD2-CD1 4.13Å; L350-F402 HydrophobicContact CD2-CD2 4.02Å; L350-F402 HydrophobicContact CD2-CE1 3.74Å; L350-F402 HydrophobicContact CD2-CE2 3.64Å; L350-F402 HydrophobicContact CD2-CG 4.26Å; L350-F402 HydrophobicContact CD2-CZ 3.5Å; L350-F402 VanDerWaalsContact CD2-CZ 3.5Å
351S95.6Very high92.6Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-133.7154.4-173.460.80000113.6H340 L360H340-S351 PolarHBondContact N-O 3.24Å; H340-S351 PolarHBondContact O-N 3.34Å; H340-S351 PolarHBondContact O-OG 3.27Å; S351-L360 CarbonylContact C-O 3.47Å; S351-L360 WeakPolarHBondContact CA-O 3.49Å; S351-L360 WeakPolarHBondContact CB-O 3.42Å
352R94.2Very high92.5Very high96 Ų9644 Ų4436%0.36222%0.224SC..EExtended strand (participates in β ladder)trans-96.4129.6167.8-58.4-175.7-161.793.9-1.3108.5E300 L360 F362E300-R352 IonicContact OE2-CZ 2.75Å; E300-R352 IonicContact OE2-NH1 3.13Å; E300-R352 PolarHBondContact OE2-NH1 3.25Å; R352-L360 PolarHBondContact N-O 3.17Å; R352-L360 PolarHBondContact O-N 2.73Å; R352-F362 HydrophobicContact CG-CD1 3.77Å; R352-F362 HydrophobicContact CG-CE1 3.99Å
353P91.5Very high92.3Very high50 Ų5044.6 Ų44.633%0.32523%0.227SC..EExtended strand (participates in β ladder)trans-64.8139.4172.827.3-32.4000110P338P338-P353 HydrophobicContact CB-CG 4.39Å
354R89Confident92.2Very high146 Ų14645.7 Ų45.755%0.55123%0.233SC*.EExtended strand (participates in β ladder)trans-121.5169.6173-70.5-161.6179.2-109.19.6110.4R358 L360R354-R358 HydrophobicContact CB-CB 4.37Å; R354-R358 PolarHBondContact N-O 2.98Å; R354-L360 HydrophobicContact CG-CB 4.35Å
355E84.6Confident92.1Very high186 Ų18645.8 Ų45.887%0.86923%0.233SC*.G310 helixtrans-54.7147.2174.4-65.1-174.8174.500111.9
356G80.9Confident92.1Very high69 Ų6946.5 Ų46.571%0.71124%0.24SC*.G310 helixtrans73.823.1-179.700000115.1R358G356-R358 VanDerWaalsContact C-N 3.25Å; G356-R358 PolarHBondContact O-N 3.27Å
357S85.9Confident92.1Very high78 Ų7845.3 Ų45.355%0.54523%0.232SC..G310 helixtrans57.137.6-178-510000113.1K296K296-S357 WeakPolarHBondContact CD-O 3.36Å
358R92.3Very high91.9Very high126 Ų12649.6 Ų49.648%0.47526%0.263SS..EExtended strand (participates in β ladder)trans-96.1155.4171.2-65.7-171-177.4-173.95.3110.5K296 E298 R354 G356K296-R358 CarbonylContact O-C 3.46Å; K296-R358 WeakPolarHBondContact O-CA 3.22Å; E298-R358 IonicContact OE1-NH1 3.09Å; E298-R358 PolarHBondContact OE1-NH1 3.48Å; R354-R358 HydrophobicContact CB-CB 4.37Å; R354-R358 PolarHBondContact N-O 2.98Å; G356-R358 VanDerWaalsContact C-N 3.25Å; G356-R358 PolarHBondContact O-N 3.27Å
359F94.8Very high91.6Very high29 Ų2950.2 Ų50.213%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-126.2124.1-176.1-57.9-76.9000110K296 I297 E298 H340 H342K296-F359 HydrophobicContact CB-CD2 4.36Å; K296-F359 PolarHBondContact O-N 3.28Å; I297-F359 WeakPolarHBondContact CA-O 3.31Å; I297-F359 HydrophobicContact CG1-CB 4.12Å; I297-F359 HydrophobicContact CG1-CD2 4.31Å; E298-F359 PolarHBondContact N-O 2.99Å; H340-F359 HydrophobicContact CB-CD1 4.02Å; H340-F359 HydrophobicContact CB-CE1 4.04Å; H340-F359 AromaticContact CD2-CE1 3.81Å; H340-F359 AromaticContact CE1-CE1 3.89Å; H340-F359 AromaticContact CG-CD1 3.94Å; H340-F359 AromaticContact CG-CE1 3.52Å; H340-F359 AromaticContact ND1-CE1 3.61Å; H342-F359 AromaticContact CE1-CD1 3.77Å; H342-F359 AromaticContact CE1-CD2 3.81Å; H342-F359 AromaticContact CE1-CG 3.59Å; H342-F359 AromaticContact NE2-CD2 3.84Å; H342-F359 AromaticContact NE2-CE2 3.83Å
360L95.3Very high91.3Very high15 Ų1550.8 Ų50.88%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-98.1105.5173.3-172.978.7000109.6E298 E300 S351 R352 R354 F362E298-L360 HydrophobicContact CB-CD1 4.11Å; E298-L360 CarbonylContact O-C 3.57Å; E298-L360 WeakPolarHBondContact O-CA 3.26Å; E300-L360 HydrophobicContact CB-CD1 4.15Å; E300-L360 HydrophobicContact CB-CD2 4.12Å; E300-L360 HydrophobicContact CB-CG 4.05Å; E300-L360 WeakPolarHBondContact OE2-CD2 3.41Å; S351-L360 CarbonylContact C-O 3.47Å; S351-L360 WeakPolarHBondContact CA-O 3.49Å; S351-L360 WeakPolarHBondContact CB-O 3.42Å; R352-L360 PolarHBondContact N-O 3.17Å; R352-L360 PolarHBondContact O-N 2.73Å; R354-L360 HydrophobicContact CG-CB 4.35Å; L360-F362 PolarHBondContact O-N 3.33Å
361V95.4Very high90.8Very high0 Ų056.7 Ų56.70%029%0.292CS..EExtended strand (participates in β ladder)trans-73.5121178.5177.70000109.4I297 E298 F299 E300 L349 L350 D363I297-V361 HydrophobicContact CG2-CG2 3.57Å; E298-V361 PolarHBondContact O-N 3.47Å; F299-V361 HydrophobicContact CD1-CB 3.71Å; F299-V361 HydrophobicContact CD1-CG1 3.76Å; F299-V361 HydrophobicContact CD1-CG2 4.3Å; F299-V361 HydrophobicContact CE1-CB 3.93Å; F299-V361 HydrophobicContact CE1-CG1 3.82Å; F299-V361 HydrophobicContact CE1-CG2 4.06Å; F299-V361 HydrophobicContact CG-CB 4.43Å; E300-V361 PolarHBondContact N-O 3.2Å; L349-V361 HydrophobicContact CB-CG1 4.28Å; L349-V361 HydrophobicContact CB-CG2 4.19Å; L349-V361 HydrophobicContact CD1-CG2 4.26Å; L350-V361 WeakPolarHBondContact O-CA 3.27Å; V361-D363 WeakPolarHBondContact CG1-O 3.5Å
362F93.4Very high90.2Very high32 Ų3257.3 Ų57.314%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-106.7-19.7179.164.8-95.7000112.9C301 V339 L350 R352 L360 F402C301-F362 WeakPolarHBondContact CB-O 3.45Å; V339-F362 HydrophobicContact CG1-CE1 4.13Å; V339-F362 HydrophobicContact CG1-CZ 4.01Å; V339-F362 HydrophobicContact CG2-CE1 4.4Å; V339-F362 HydrophobicContact CG2-CZ 4.21Å; L350-F362 HydrophobicContact CB-CE1 4Å; L350-F362 HydrophobicContact CB-CE2 3.88Å; L350-F362 HydrophobicContact CB-CZ 3.6Å; L350-F362 HydrophobicContact CD2-CE2 4.23Å; L350-F362 HydrophobicContact CD2-CZ 4.17Å; L350-F362 WeakPolarHBondContact O-CD1 3.46Å; L350-F362 PolarHBondContact O-N 3.35Å; R352-F362 HydrophobicContact CG-CD1 3.77Å; R352-F362 HydrophobicContact CG-CE1 3.99Å; L360-F362 PolarHBondContact O-N 3.33Å; F362-F402 HydrophobicContact CE2-CE1 4.26Å; F362-F402 HydrophobicContact CE2-CZ 4.42Å
363D92.6Very high89.6Confident12 Ų1255.5 Ų55.56%0.06429%0.294CS..EExtended strand (participates in β ladder)trans-154.3156.5172.7-153.3-2.1000111.2L350 V361 N394 T395L350-D363 PolarHBondContact N-O 2.71Å; L350-D363 PolarHBondContact O-N 3.28Å; V361-D363 WeakPolarHBondContact CG1-O 3.5Å; D363-N394 WeakPolarHBondContact OD1-CB 3.25Å; D363-N394 VanDerWaalsContact OD2-CB 3.32Å; D363-N394 WeakPolarHBondContact OD2-CB 3.46Å; D363-N394 PolarHBondContact OD2-ND2 2.72Å; D363-T395 PolarHBondContact OD1-N 2.99Å; D363-T395 PolarHBondContact OD1-OG1 3.48Å
364H93.1Very high88.9Confident23 Ų2358.4 Ų58.411%0.10630%0.302CS..EExtended strand (participates in β ladder)trans-152.9157.917472.479.3000112K302 F304 L348 L349 T395K302-H364 PolarHBondContact O-NE2 2.66Å; F304-H364 AromaticContact CD2-CE1 3.87Å; L348-H364 CarbonylContact O-C 3.58Å; L348-H364 WeakPolarHBondContact O-CA 3.35Å; L348-H364 WeakPolarHBondContact O-CB 3.48Å; L349-H364 HydrophobicContact CD2-CB 3.45Å; L349-H364 VanDerWaalsContact CD2-CB 3.45Å; H364-T395 HydrophobicContact CB-CG2 4.34Å; H364-T395 WeakPolarHBondContact CD2-CG2 3.33Å; H364-T395 VanDerWaalsContact CG-CG2 3.48Å; H364-T395 WeakPolarHBondContact NE2-CG2 3.35Å; H364-T395 WeakPolarHBondContact O-CG2 3.24Å; H364-T395 PolarHBondContact O-N 3.48Å
365A93.3Very high88Confident1 Ų152 Ų521%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-147.2149.1176.800000111.3C347 L348 I370 L391C347-A365 CarbonylContact C-O 3.6Å; C347-A365 VanDerWaalsContact CA-O 3.28Å; C347-A365 WeakPolarHBondContact CA-O 3.34Å; C347-A365 WeakPolarHBondContact CB-O 3.44Å; L348-A365 PolarHBondContact N-O 3.48Å; L348-A365 PolarHBondContact O-N 2.92Å; A365-I370 HydrophobicContact CB-CG2 3.78Å; A365-L391 HydrophobicContact CB-CD2 3.9Å
366P92Very high86.8Confident60 Ų6051.7 Ų51.739%0.3928%0.278SS..EExtended strand (participates in β ladder)trans-65.5149.6169.329.5-33.7000110.2D346 S368 S369D346-P366 WeakPolarHBondContact O-CA 3.46Å; P366-S368 PolarHBondContact O-N 2.91Å; P366-S369 WeakPolarHBondContact O-CA 3.47Å; P366-S369 PolarHBondContact O-N 3.16Å
367F90.3Very high85.8Confident26 Ų2651.4 Ų51.411%0.11426%0.259CS..G310 helixtrans-58.6-33.6-176.6-170-83.2000112.5L343 D346 S369 I370 A420 M421L343-F367 HydrophobicContact CD1-CD2 3.9Å; L343-F367 HydrophobicContact CD1-CE2 4Å; D346-F367 PolarHBondContact O-N 2.88Å; F367-S369 PolarHBondContact O-N 2.93Å; F367-S369 VanDerWaalsContact O-N 3.08Å; F367-I370 HydrophobicContact CD2-CD1 3.6Å; F367-I370 HydrophobicContact CD2-CG1 4.27Å; F367-I370 HydrophobicContact CE2-CD1 3.94Å; F367-I370 HydrophobicContact CG-CD1 4.16Å; F367-I370 HydrophobicContact CG-CG1 4.42Å; F367-I370 WeakPolarHBondContact O-CG1 3.32Å; F367-I370 PolarHBondContact O-N 2.86Å; F367-I370 VanDerWaalsContact O-N 3.15Å; F367-A420 WeakPolarHBondContact CZ-O 3.45Å; F367-M421 HydrophobicContact CD1-SD 4.47Å; F367-M421 HydrophobicContact CE1-SD 4.06Å
368S89.1Confident84.2Confident93 Ų9357.9 Ų57.965%0.6528%0.277SS*.G310 helixtrans-61.2-18.7174.957.90000114.2P366P366-S368 PolarHBondContact O-N 2.91Å
369S89.4Confident82.6Confident13 Ų1353.8 Ų53.89%0.09126%0.264CS..G310 helixtrans-106.55-179-62.20000113.5P366 F367 R392P366-S369 WeakPolarHBondContact O-CA 3.47Å; P366-S369 PolarHBondContact O-N 3.16Å; F367-S369 PolarHBondContact O-N 2.93Å; F367-S369 VanDerWaalsContact O-N 3.08Å; S369-R392 WeakPolarHBondContact O-CB 3.24Å; S369-R392 PolarHBondContact O-N 3.49Å
370I89.8Confident80.5Confident11 Ų1161.6 Ų61.66%0.05630%0.301CS..EExtended strand (participates in β ladder)trans-105.7151.5176.878.3-174.4000111.3L343 L348 A365 F367 L389 F390 L391 L419L343-I370 HydrophobicContact CD1-CD1 3.68Å; L348-I370 HydrophobicContact CB-CD1 3.95Å; L348-I370 HydrophobicContact CB-CG2 4.18Å; L348-I370 HydrophobicContact CD2-CD1 4.21Å; L348-I370 HydrophobicContact CD2-CG2 4.32Å; A365-I370 HydrophobicContact CB-CG2 3.78Å; F367-I370 HydrophobicContact CD2-CD1 3.6Å; F367-I370 HydrophobicContact CD2-CG1 4.27Å; F367-I370 HydrophobicContact CE2-CD1 3.94Å; F367-I370 HydrophobicContact CG-CD1 4.16Å; F367-I370 HydrophobicContact CG-CG1 4.42Å; F367-I370 WeakPolarHBondContact O-CG1 3.32Å; F367-I370 PolarHBondContact O-N 2.86Å; F367-I370 VanDerWaalsContact O-N 3.15Å; I370-L389 HydrophobicContact CB-CD1 4.42Å; I370-F390 CarbonylContact C-O 3.58Å; I370-F390 WeakPolarHBondContact CA-O 2.93Å; I370-L391 HydrophobicContact CB-CD2 4.33Å; I370-L391 HydrophobicContact CG2-CD2 3.65Å; I370-L419 HydrophobicContact CD1-CD2 3.64Å; I370-L419 HydrophobicContact CG1-CD2 4.38Å
371R84.9Confident78.8Confident124 Ų12463.8 Ų63.847%0.46833%0.327SS..EExtended strand (participates in β ladder)trans-148123.9170.1-167.4175.9-177.4-143.7-7.1110.9E373 F390R371-E373 HydrophobicContact CG-CG 4.3Å; R371-E373 IonicContact CZ-OE1 2.8Å; R371-E373 IonicContact NE-OE1 3.41Å; R371-E373 PolarHBondContact NE-OE1 2.95Å; R371-E373 IonicContact NH1-OE1 2.58Å; R371-E373 PolarHBondContact NH1-OE1 3.34Å; R371-E373 IonicContact NH2-OE1 3.17Å; R371-E373 PolarHBondContact NH2-OE1 3.46Å; R371-E373 VanDerWaalsContact NH2-OE1 3.17Å; R371-F390 HydrophobicContact CB-CB 4.43Å; R371-F390 PolarHBondContact N-O 3.4Å; R371-F390 PolarHBondContact O-N 2.85Å
372G82.5Confident76.9Confident13 Ų1369 Ų6913%0.13436%0.361CS..EExtended strand (participates in β ladder)trans-92.1131.4169.200000111.3R388G372-R388 CarbonylContact C-O 3.58Å; G372-R388 WeakPolarHBondContact CA-O 3.26Å
373E82.1Confident75.5Confident58 Ų5869.6 Ų69.627%0.27136%0.364SS..EExtended strand (participates in β ladder)trans-128.7141.4176-66.9-170.4167.700112.5R371 C375 F387 R388 F390R371-E373 HydrophobicContact CG-CG 4.3Å; R371-E373 IonicContact CZ-OE1 2.8Å; R371-E373 IonicContact NE-OE1 3.41Å; R371-E373 PolarHBondContact NE-OE1 2.95Å; R371-E373 IonicContact NH1-OE1 2.58Å; R371-E373 PolarHBondContact NH1-OE1 3.34Å; R371-E373 IonicContact NH2-OE1 3.17Å; R371-E373 PolarHBondContact NH2-OE1 3.46Å; R371-E373 VanDerWaalsContact NH2-OE1 3.17Å; E373-C375 PolarHBondContact O-N 3.07Å; E373-F387 WeakPolarHBondContact O-CA 3.43Å; E373-F387 WeakPolarHBondContact O-CB 3.41Å; E373-R388 PolarHBondContact N-O 2.83Å; E373-R388 PolarHBondContact O-N 3.47Å; E373-F390 HydrophobicContact CB-CE2 4.19Å; E373-F390 HydrophobicContact CG-CD2 4.32Å; E373-F390 HydrophobicContact CG-CE2 4Å; E373-F390 WeakPolarHBondContact OE2-CE2 3.38Å
374K76.8Confident74.8Confident111 Ų11176.8 Ų76.848%0.48339%0.394SS..EExtended strand (participates in β ladder)trans-61.6124.4168.2-74-179.6-179.1-178.20108.3I416K374-I416 HydrophobicContact CB-CD1 4.26Å; K374-I416 HydrophobicContact CG-CD1 3.45Å; K374-I416 VanDerWaalsContact CG-CD1 3.45Å; K374-I416 HydrophobicContact CG-CG2 4.34Å
375C70.4Confident74.5Confident11 Ų1177.5 Ų77.57%0.07440%0.399CS..  trans-107.2118.3171.7-165.50000109.4E373 R388 L403 K412E373-C375 PolarHBondContact O-N 3.07Å; C375-R388 HydrophobicContact CB-CG 3.99Å; C375-R388 PolarHBondContact SG-NE 3.13Å; C375-L403 HydrophobicContact CB-CD1 4.43Å; C375-K412 PolarHBondContact O-NZ 3.28Å
376E59.1Low74.4Confident181 Ų18177.7 Ų77.785%0.84640%0.4SS*.  trans-10060.1170.9-63.9-169.7176.400109.5
377M60.1Low74.3Confident63 Ų6374.8 Ų74.831%0.3138%0.381SS..  trans-86.8121173-127.1160.466.900109.1F324 L379 R388 L403F324-M377 HydrophobicContact CE2-CE 4.16Å; F324-M377 HydrophobicContact CZ-CE 3.8Å; M377-L379 VanDerWaalsContact C-N 3.26Å; M377-L379 HydrophobicContact CE-CD1 4.32Å; M377-L379 HydrophobicContact CE-CD2 3.57Å; M377-L379 HydrophobicContact CE-CG 4Å; M377-L379 PolarHBondContact O-N 3.06Å; M377-R388 PolarHBondContact SD-NH2 2.86Å; M377-L403 HydrophobicContact CE-CD2 3.86Å
378K52.4Low74.4Confident214 Ų21477 Ų7793%0.9339%0.389SS*.  trans-75.381.1168.2-65.7-176.9-178.2178.30108.7
379L58.8Low74.5Confident40 Ų4072.6 Ų72.621%0.20936%0.358CS..  trans-73.6133167.5-71-178.5000109L322 F324 M377 G381 H383 L386L322-L379 HydrophobicContact CD1-CD1 4.03Å; F324-L379 HydrophobicContact CE1-CD2 4.25Å; F324-L379 HydrophobicContact CZ-CD2 4.03Å; M377-L379 VanDerWaalsContact C-N 3.26Å; M377-L379 HydrophobicContact CE-CD1 4.32Å; M377-L379 HydrophobicContact CE-CD2 3.57Å; M377-L379 HydrophobicContact CE-CG 4Å; M377-L379 PolarHBondContact O-N 3.06Å; L379-G381 PolarHBondContact O-N 3.28Å; L379-H383 HydrophobicContact CB-CB 4.16Å; L379-H383 HydrophobicContact CD1-CB 3.98Å; L379-L386 HydrophobicContact CD1-CD1 3.53Å; L379-L386 HydrophobicContact CG-CD1 4.08Å
380H50.5Low74.6Confident193 Ų19374.5 Ų74.589%0.89437%0.365SS*.SBendtrans-66.4125.5169.3-71.9-58.3000109.3
381G58.1Low74.6Confident60 Ų6074.1 Ų74.162%0.61936%0.363SS*.SBendtrans115.9-165.8179.900000114.5L379 H383L379-G381 PolarHBondContact O-N 3.28Å; G381-H383 PolarHBondContact O-N 2.87Å; G381-H383 VanDerWaalsContact O-N 3.16Å
382P56.3Low74.6Confident111 Ų11175 Ų7572%0.72137%0.366SS*.SBendtrans-78.612.1-172.532.5-36000114.8K384P382-K384 PolarHBondContact O-N 2.8Å
383H64.6Low74.7Confident43 Ų4380.2 Ų80.220%0.19939%0.387CS..  trans-83.283.4-172.3-57.4-70.1000111.7L379 G381 L386L379-H383 HydrophobicContact CB-CB 4.16Å; L379-H383 HydrophobicContact CD1-CB 3.98Å; G381-H383 PolarHBondContact O-N 2.87Å; G381-H383 VanDerWaalsContact O-N 3.16Å; H383-L386 HydrophobicContact CB-CD1 4.48Å
384K77.4Confident74.7Confident163 Ų16378.6 Ų78.671%0.70938%0.38SS*.  trans-95.2175.5168.6-63.6-178-179.11790110.5P382 L386P382-K384 PolarHBondContact O-N 2.8Å; K384-L386 PolarHBondContact O-N 3.03Å
385N86.8Confident74.7Confident39 Ų3975 Ų7521%0.20937%0.368CS..SBendtrans58.145172.1-49.2-33.2000114.9T406 E407 T408 Q409 K412N385-T406 VanDerWaalsContact CB-OG1 3.24Å; N385-T406 WeakPolarHBondContact CB-OG1 3.36Å; N385-T406 PolarHBondContact O-N 2.91Å; N385-T406 PolarHBondContact O-OG1 3.22Å; N385-E407 PolarHBondContact ND2-O 3.15Å; N385-T408 VanDerWaalsContact ND2-C 3.27Å; N385-T408 PolarHBondContact ND2-O 2.93Å; N385-Q409 PolarHBondContact ND2-N 3.27Å; N385-K412 HydrophobicContact CB-CB 4.2Å; N385-K412 HydrophobicContact CB-CD 4.39Å
386L90.3Very high75.1Confident4 Ų482.4 Ų82.42%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-91.1144.1179.2-56.7171.9000113.1L322 L379 H383 K384 L403 F404 R405 K412L322-L386 HydrophobicContact CD1-CD2 3.58Å; L379-L386 HydrophobicContact CD1-CD1 3.53Å; L379-L386 HydrophobicContact CG-CD1 4.08Å; H383-L386 HydrophobicContact CB-CD1 4.48Å; K384-L386 PolarHBondContact O-N 3.03Å; L386-L403 HydrophobicContact CB-CD1 4.37Å; L386-F404 VanDerWaalsContact CA-O 3.27Å; L386-F404 WeakPolarHBondContact CA-O 3.47Å; L386-R405 HydrophobicContact CD2-CB 3.64Å; L386-R405 HydrophobicContact CD2-CG 3.97Å; L386-K412 WeakPolarHBondContact O-CD 3.46Å; L386-K412 WeakPolarHBondContact O-CE 3.24Å; L386-K412 PolarHBondContact O-NZ 3.46Å
387F91.5Very high76.1Confident0 Ų076.5 Ų76.50%039%0.389CS..EExtended strand (participates in β ladder)trans-143.9156.6168.776.3-89.2000110.9L319 E373 L389 F404 T406 W415 I416 L419L319-F387 HydrophobicContact CD1-CE1 3.88Å; L319-F387 HydrophobicContact CD1-CZ 3.57Å; E373-F387 WeakPolarHBondContact O-CA 3.43Å; E373-F387 WeakPolarHBondContact O-CB 3.41Å; F387-L389 HydrophobicContact CE2-CB 4.46Å; F387-F404 HydrophobicContact CD1-CB 4.04Å; F387-F404 HydrophobicContact CE1-CB 3.59Å; F387-F404 HydrophobicContact CE1-CG 4.46Å; F387-F404 HydrophobicContact CE2-CB 4.26Å; F387-F404 AromaticContact CE2-CD2 3.94Å; F387-F404 HydrophobicContact CE2-CD2 3.94Å; F387-F404 HydrophobicContact CZ-CB 3.72Å; F387-F404 AromaticContact CZ-CD2 3.88Å; F387-F404 HydrophobicContact CZ-CD2 3.88Å; F387-F404 HydrophobicContact CZ-CG 4.12Å; F387-F404 PolarHBondContact N-O 2.82Å; F387-F404 PolarHBondContact O-N 2.86Å; F387-T406 HydrophobicContact CD1-CG2 4.38Å; F387-T406 HydrophobicContact CE1-CG2 3.97Å; F387-W415 HydrophobicContact CE1-CB 4.01Å; F387-W415 HydrophobicContact CE1-CG 4.3Å; F387-W415 HydrophobicContact CZ-CB 3.91Å; F387-W415 HydrophobicContact CZ-CG 4.18Å; F387-I416 HydrophobicContact CB-CD1 3.73Å; F387-I416 HydrophobicContact CB-CG1 3.88Å; F387-I416 HydrophobicContact CD2-CG1 4.42Å; F387-I416 HydrophobicContact CG-CG1 4.19Å; F387-L419 HydrophobicContact CD2-CD1 4.41Å; F387-L419 HydrophobicContact CE2-CD1 3.71Å; F387-L419 HydrophobicContact CZ-CD1 4.43Å
388R91.1Very high77.2Confident73 Ų7375.5 Ų75.528%0.27539%0.391SS..EExtended strand (participates in β ladder)trans-102.6138.7176.2-72.7175.2-172.8-153.113.9109.9G372 E373 C375 M377 F390 E401 F402 L403G372-R388 CarbonylContact C-O 3.58Å; G372-R388 WeakPolarHBondContact CA-O 3.26Å; E373-R388 PolarHBondContact N-O 2.83Å; E373-R388 PolarHBondContact O-N 3.47Å; C375-R388 HydrophobicContact CB-CG 3.99Å; C375-R388 PolarHBondContact SG-NE 3.13Å; M377-R388 PolarHBondContact SD-NH2 2.86Å; R388-F390 HydrophobicContact CB-CD2 4.44Å; R388-F390 HydrophobicContact CB-CE2 3.76Å; R388-F390 HydrophobicContact CB-CZ 4.04Å; R388-E401 VanDerWaalsContact CD-OE1 3.3Å; R388-E401 WeakPolarHBondContact CD-OE1 3.34Å; R388-E401 IonicContact CZ-OE1 3.45Å; R388-E401 IonicContact NE-OE1 3.57Å; R388-E401 IonicContact NH1-OE1 2.78Å; R388-E401 PolarHBondContact NH1-OE1 2.85Å; R388-F402 WeakPolarHBondContact CA-O 3.46Å; R388-L403 HydrophobicContact CG-CD1 3.91Å
389L92.3Very high78.9Confident0 Ų073.2 Ų73.20%038%0.383CS..EExtended strand (participates in β ladder)trans-113.4123.9168174.472.4000108.2L348 L350 I370 F387 L391 F402 F404 L419L348-L389 HydrophobicContact CD2-CD1 3.86Å; L348-L389 HydrophobicContact CD2-CD2 3.54Å; L348-L389 HydrophobicContact CD2-CG 4.32Å; L350-L389 HydrophobicContact CD2-CD2 4.45Å; I370-L389 HydrophobicContact CB-CD1 4.42Å; F387-L389 HydrophobicContact CE2-CB 4.46Å; L389-L391 HydrophobicContact CD2-CD2 4.16Å; L389-L391 HydrophobicContact CG-CD2 4.26Å; L389-F402 HydrophobicContact CB-CB 4.36Å; L389-F402 HydrophobicContact CD2-CD2 4.4Å; L389-F402 PolarHBondContact N-O 2.49Å; L389-F402 PolarHBondContact O-N 2.95Å; L389-F404 HydrophobicContact CB-CD2 4.04Å; L389-F404 HydrophobicContact CB-CE2 3.86Å; L389-F404 HydrophobicContact CD2-CE2 3.74Å; L389-F404 HydrophobicContact CG-CE2 4.46Å; L389-L419 HydrophobicContact CD1-CD1 4.03Å; L389-L419 HydrophobicContact CD1-CD2 3.97Å
390F90.4Very high80.3Confident53 Ų5372.4 Ų72.423%0.23238%0.383CS..EExtended strand (participates in β ladder)trans-104.9126.9172.4-60.2-84.2000109.4I370 R371 E373 R388 E401I370-F390 CarbonylContact C-O 3.58Å; I370-F390 WeakPolarHBondContact CA-O 2.93Å; R371-F390 HydrophobicContact CB-CB 4.43Å; R371-F390 PolarHBondContact N-O 3.4Å; R371-F390 PolarHBondContact O-N 2.85Å; E373-F390 HydrophobicContact CB-CE2 4.19Å; E373-F390 HydrophobicContact CG-CD2 4.32Å; E373-F390 HydrophobicContact CG-CE2 4Å; E373-F390 WeakPolarHBondContact OE2-CE2 3.38Å; R388-F390 HydrophobicContact CB-CD2 4.44Å; R388-F390 HydrophobicContact CB-CE2 3.76Å; R388-F390 HydrophobicContact CB-CZ 4.04Å; F390-E401 HydrophobicContact CD1-CB 4.22Å; F390-E401 HydrophobicContact CD1-CG 3.99Å; F390-E401 HydrophobicContact CE1-CB 4.31Å; F390-E401 HydrophobicContact CE1-CG 3.7Å; F390-E401 HydrophobicContact CZ-CG 4.43Å
391L90.3Very high82.2Confident2 Ų268.4 Ų68.41%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-101.3107.6163.4-52.7-176.1000106.9L348 L350 A365 I370 L389 Q393 N394 Q399 A400 F402L348-L391 HydrophobicContact CD2-CD2 4.33Å; L350-L391 HydrophobicContact CD1-CD1 3.98Å; A365-L391 HydrophobicContact CB-CD2 3.9Å; I370-L391 HydrophobicContact CB-CD2 4.33Å; I370-L391 HydrophobicContact CG2-CD2 3.65Å; L389-L391 HydrophobicContact CD2-CD2 4.16Å; L389-L391 HydrophobicContact CG-CD2 4.26Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-N394 HydrophobicContact CB-CB 4.39Å; L391-N394 HydrophobicContact CD1-CB 4.24Å; L391-Q399 WeakPolarHBondContact O-CA 3.25Å; L391-A400 HydrophobicContact CB-CB 4.23Å; L391-A400 HydrophobicContact CD1-CB 4.36Å; L391-A400 PolarHBondContact N-O 3.22Å; L391-A400 PolarHBondContact O-N 3.44Å; L391-F402 HydrophobicContact CD1-CE2 3.75Å; L391-F402 HydrophobicContact CG-CE2 4.14Å
392R85.1Confident83.7Confident142 Ų14266.4 Ų66.454%0.53634%0.339SS..SBendtrans-69.4-35.3179.8-68.8-176.6171.6-171.7-2.6112.1S369 Q399S369-R392 WeakPolarHBondContact O-CB 3.24Å; S369-R392 PolarHBondContact O-N 3.49Å; R392-Q399 WeakPolarHBondContact O-CG 3.29Å
393Q85.1Confident85.4Confident124 Ų12461.8 Ų61.858%0.57931%0.308SS*.SBendtrans-142.7110.7173.3-72.5-177.6-8.500107.3L391L391-Q393 VanDerWaalsContact C-N 3.34Å
394N81.8Confident86.8Confident23 Ų2359.8 Ų59.812%0.12330%0.298CS..  trans-89-171173.379.5-11000111.5D363 L391 Q396 G397 A398D363-N394 WeakPolarHBondContact OD1-CB 3.25Å; D363-N394 VanDerWaalsContact OD2-CB 3.32Å; D363-N394 WeakPolarHBondContact OD2-CB 3.46Å; D363-N394 PolarHBondContact OD2-ND2 2.72Å; L391-N394 HydrophobicContact CB-CB 4.39Å; L391-N394 HydrophobicContact CD1-CB 4.24Å; N394-Q396 PolarHBondContact O-N 2.89Å; N394-Q396 VanDerWaalsContact O-N 3.07Å; N394-Q396 WeakPolarHBondContact OD1-CA 3.49Å; N394-Q396 PolarHBondContact OD1-N 3.2Å; N394-G397 PolarHBondContact O-N 2.63Å; N394-G397 PolarHBondContact OD1-N 2.9Å; N394-A398 PolarHBondContact N-O 3.14Å; N394-A398 PolarHBondContact OD1-N 2.83Å; N394-A398 PolarHBondContact OD1-O 3.4Å
395T76.4Confident87.5Confident37 Ų3755.8 Ų55.823%0.22728%0.279CS..THydrogen-bonded Turntrans-56.1-24.217949.90000115.3D363 H364D363-T395 PolarHBondContact OD1-N 2.99Å; D363-T395 PolarHBondContact OD1-OG1 3.48Å; H364-T395 HydrophobicContact CB-CG2 4.34Å; H364-T395 WeakPolarHBondContact CD2-CG2 3.33Å; H364-T395 VanDerWaalsContact CG-CG2 3.48Å; H364-T395 WeakPolarHBondContact NE2-CG2 3.35Å; H364-T395 WeakPolarHBondContact O-CG2 3.24Å; H364-T395 PolarHBondContact O-N 3.48Å
396Q79.6Confident87.7Confident166 Ų16654.3 Ų54.378%0.77627%0.271SS*.THydrogen-bonded Turntrans-101.14.5-179.2-59.8-179.5-3.700112.6N394 A398N394-Q396 PolarHBondContact O-N 2.89Å; N394-Q396 VanDerWaalsContact O-N 3.07Å; N394-Q396 WeakPolarHBondContact OD1-CA 3.49Å; N394-Q396 PolarHBondContact OD1-N 3.2Å; Q396-A398 PolarHBondContact O-N 2.98Å
397G79.4Confident87.8Confident57 Ų5762.4 Ų62.459%0.58831%0.309SS*.SBendtrans73.510.7-174.500000114.1N394N394-G397 PolarHBondContact O-N 2.63Å; N394-G397 PolarHBondContact OD1-N 2.9Å
398A84Confident87.8Confident42 Ų4264.9 Ų64.935%0.34732%0.324SS..  trans-93.2156.6179.200000111.7N394 Q396N394-A398 PolarHBondContact N-O 3.14Å; N394-A398 PolarHBondContact OD1-N 2.83Å; N394-A398 PolarHBondContact OD1-O 3.4Å; Q396-A398 PolarHBondContact O-N 2.98Å
399Q87.7Confident87.8Confident165 Ų16564.4 Ų64.477%0.77133%0.325SS*.  trans-80.9135.1167.2-73.7-176.8-11.900109.9L391 R392L391-Q399 WeakPolarHBondContact O-CA 3.25Å; R392-Q399 WeakPolarHBondContact O-CG 3.29Å
400A87.4Confident87.8Confident24 Ų2464.7 Ų64.720%0.19833%0.327CS..EExtended strand (participates in β ladder)trans-131.2139.6173.700000110.7L391 F402L391-A400 HydrophobicContact CB-CB 4.23Å; L391-A400 HydrophobicContact CD1-CB 4.36Å; L391-A400 PolarHBondContact N-O 3.22Å; L391-A400 PolarHBondContact O-N 3.44Å; A400-F402 HydrophobicContact CB-CD2 4.49Å; A400-F402 HydrophobicContact CB-CE2 3.68Å; A400-F402 HydrophobicContact CB-CZ 4.26Å
401E90.3Very high88Confident108 Ų10864 Ų6451%0.50533%0.325SS..EExtended strand (participates in β ladder)trans-119.6131.5175.1-178.8-179.6-178.400109R388 F390R388-E401 VanDerWaalsContact CD-OE1 3.3Å; R388-E401 WeakPolarHBondContact CD-OE1 3.34Å; R388-E401 IonicContact CZ-OE1 3.45Å; R388-E401 IonicContact NE-OE1 3.57Å; R388-E401 IonicContact NH1-OE1 2.78Å; R388-E401 PolarHBondContact NH1-OE1 2.85Å; F390-E401 HydrophobicContact CD1-CB 4.22Å; F390-E401 HydrophobicContact CD1-CG 3.99Å; F390-E401 HydrophobicContact CE1-CB 4.31Å; F390-E401 HydrophobicContact CE1-CG 3.7Å; F390-E401 HydrophobicContact CZ-CG 4.43Å
402F90.9Very high88.1Confident19 Ų1965.3 Ų65.38%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-122.3133.9175-59.9-97.5000109.8L350 F362 R388 L389 L391 A400 F404L350-F402 HydrophobicContact CD2-CD1 4.13Å; L350-F402 HydrophobicContact CD2-CD2 4.02Å; L350-F402 HydrophobicContact CD2-CE1 3.74Å; L350-F402 HydrophobicContact CD2-CE2 3.64Å; L350-F402 HydrophobicContact CD2-CG 4.26Å; L350-F402 HydrophobicContact CD2-CZ 3.5Å; L350-F402 VanDerWaalsContact CD2-CZ 3.5Å; F362-F402 HydrophobicContact CE2-CE1 4.26Å; F362-F402 HydrophobicContact CE2-CZ 4.42Å; R388-F402 WeakPolarHBondContact CA-O 3.46Å; L389-F402 HydrophobicContact CB-CB 4.36Å; L389-F402 HydrophobicContact CD2-CD2 4.4Å; L389-F402 PolarHBondContact N-O 2.49Å; L389-F402 PolarHBondContact O-N 2.95Å; L391-F402 HydrophobicContact CD1-CE2 3.75Å; L391-F402 HydrophobicContact CG-CE2 4.14Å; A400-F402 HydrophobicContact CB-CD2 4.49Å; A400-F402 HydrophobicContact CB-CE2 3.68Å; A400-F402 HydrophobicContact CB-CZ 4.26Å; F402-F404 HydrophobicContact CB-CD2 4.06Å; F402-F404 HydrophobicContact CB-CE1 4.48Å; F402-F404 HydrophobicContact CB-CE2 3.45Å; F402-F404 VanDerWaalsContact CB-CE2 3.45Å; F402-F404 HydrophobicContact CB-CZ 3.7Å; F402-F404 HydrophobicContact CD1-CZ 4.17Å; F402-F404 HydrophobicContact CG-CE2 4.16Å; F402-F404 HydrophobicContact CG-CZ 4.07Å
403L91.9Very high88.4Confident14 Ų1459 Ų597%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-101114.3169.3-177.564.6000108.7A321 L322 F324 C375 M377 L386 R388A321-L403 WeakPolarHBondContact CA-O 3.41Å; L322-L403 HydrophobicContact CB-CB 4.24Å; L322-L403 HydrophobicContact CB-CD2 4.03Å; L322-L403 HydrophobicContact CB-CG 4.14Å; L322-L403 HydrophobicContact CD1-CD2 3.98Å; L322-L403 HydrophobicContact CD1-CG 4.21Å; L322-L403 PolarHBondContact N-O 2.99Å; F324-L403 HydrophobicContact CE2-CD2 3.7Å; F324-L403 HydrophobicContact CZ-CD2 4.02Å; C375-L403 HydrophobicContact CB-CD1 4.43Å; M377-L403 HydrophobicContact CE-CD2 3.86Å; L386-L403 HydrophobicContact CB-CD1 4.37Å; R388-L403 HydrophobicContact CG-CD1 3.91Å
404F93Very high88.8Confident0 Ų053.3 Ų53.30%028%0.28CS..EExtended strand (participates in β ladder)trans-106.9144.6-179.9-71-64.1000112L319 A321 V339 L341 L386 F387 L389 F402L319-F404 HydrophobicContact CB-CB 4.43Å; L319-F404 HydrophobicContact CB-CD1 3.7Å; L319-F404 HydrophobicContact CB-CE1 4.28Å; L319-F404 HydrophobicContact CB-CG 4.23Å; L319-F404 HydrophobicContact CD1-CB 4.09Å; L319-F404 HydrophobicContact CD1-CD1 4.09Å; L319-F404 HydrophobicContact CD1-CD2 4.25Å; L319-F404 HydrophobicContact CD1-CG 3.89Å; A321-F404 HydrophobicContact CB-CD1 3.93Å; A321-F404 HydrophobicContact CB-CE1 3.63Å; V339-F404 HydrophobicContact CB-CE1 3.89Å; V339-F404 HydrophobicContact CB-CZ 4.5Å; V339-F404 HydrophobicContact CG1-CE1 4.05Å; V339-F404 HydrophobicContact CG1-CZ 4.16Å; V339-F404 HydrophobicContact CG2-CE1 4.31Å; L341-F404 HydrophobicContact CD1-CE2 4.24Å; L341-F404 HydrophobicContact CD2-CE2 4.47Å; L341-F404 HydrophobicContact CD2-CZ 4.17Å; L386-F404 VanDerWaalsContact CA-O 3.27Å; L386-F404 WeakPolarHBondContact CA-O 3.47Å; F387-F404 HydrophobicContact CD1-CB 4.04Å; F387-F404 HydrophobicContact CE1-CB 3.59Å; F387-F404 HydrophobicContact CE1-CG 4.46Å; F387-F404 HydrophobicContact CE2-CB 4.26Å; F387-F404 AromaticContact CE2-CD2 3.94Å; F387-F404 HydrophobicContact CE2-CD2 3.94Å; F387-F404 HydrophobicContact CZ-CB 3.72Å; F387-F404 AromaticContact CZ-CD2 3.88Å; F387-F404 HydrophobicContact CZ-CD2 3.88Å; F387-F404 HydrophobicContact CZ-CG 4.12Å; F387-F404 PolarHBondContact N-O 2.82Å; F387-F404 PolarHBondContact O-N 2.86Å; L389-F404 HydrophobicContact CB-CD2 4.04Å; L389-F404 HydrophobicContact CB-CE2 3.86Å; L389-F404 HydrophobicContact CD2-CE2 3.74Å; L389-F404 HydrophobicContact CG-CE2 4.46Å; F402-F404 HydrophobicContact CB-CD2 4.06Å; F402-F404 HydrophobicContact CB-CE1 4.48Å; F402-F404 HydrophobicContact CB-CE2 3.45Å; F402-F404 VanDerWaalsContact CB-CE2 3.45Å; F402-F404 HydrophobicContact CB-CZ 3.7Å; F402-F404 HydrophobicContact CD1-CZ 4.17Å; F402-F404 HydrophobicContact CG-CE2 4.16Å; F402-F404 HydrophobicContact CG-CZ 4.07Å
405R91.8Very high89.4Confident80 Ų8052.3 Ų52.330%0.30228%0.275SS..EExtended strand (participates in β ladder)trans-112134.5168.1-176.5-164.670.7146.21.2109.3T320 L386T320-R405 PolarHBondContact N-O 2.93Å; T320-R405 PolarHBondContact O-N 2.88Å; T320-R405 PolarHBondContact OG1-NH2 3.33Å; T320-R405 VanDerWaalsContact OG1-NH2 3.09Å; L386-R405 HydrophobicContact CD2-CB 3.64Å; L386-R405 HydrophobicContact CD2-CG 3.97Å
406T92.3Very high90.1Very high8 Ų851.5 Ų51.55%0.04927%0.269CS..  trans-106.9159169.851.30000110.2L319 N385 F387 T408 E411 K412L319-T406 HydrophobicContact CD2-CG2 3.48Å; L319-T406 VanDerWaalsContact CD2-CG2 3.48Å; N385-T406 VanDerWaalsContact CB-OG1 3.24Å; N385-T406 WeakPolarHBondContact CB-OG1 3.36Å; N385-T406 PolarHBondContact O-N 2.91Å; N385-T406 PolarHBondContact O-OG1 3.22Å; F387-T406 HydrophobicContact CD1-CG2 4.38Å; F387-T406 HydrophobicContact CE1-CG2 3.97Å; T406-T408 PolarHBondContact OG1-O 3.36Å; T406-T408 VanDerWaalsContact OG1-O 3.11Å; T406-E411 HydrophobicContact CG2-CB 3.98Å; T406-K412 HydrophobicContact CG2-CB 4.48Å; T406-K412 WeakPolarHBondContact OG1-CB 3.46Å; T406-K412 PolarHBondContact OG1-N 3.33Å
407E91Very high90.6Very high174 Ų17444.4 Ų44.481%0.81324%0.238SC*.SBendtrans-70.9-43.8178.3-61.8-169.2162.600111.5N385N385-E407 PolarHBondContact ND2-O 3.15Å
408T92.1Very high91.1Very high51 Ų5142.5 Ų42.531%0.31322%0.216SC..SBendtrans-116161.9-172.269.30000111.6N385 T406 S410 E411 K412 D467N385-T408 VanDerWaalsContact ND2-C 3.27Å; N385-T408 PolarHBondContact ND2-O 2.93Å; T406-T408 PolarHBondContact OG1-O 3.36Å; T406-T408 VanDerWaalsContact OG1-O 3.11Å; T408-S410 PolarHBondContact OG1-OG 3.37Å; T408-E411 WeakPolarHBondContact OG1-CB 3.43Å; T408-E411 WeakPolarHBondContact OG1-CG 3.48Å; T408-E411 PolarHBondContact OG1-N 2.94Å; T408-K412 PolarHBondContact O-N 3.39Å; T408-D467 VanDerWaalsContact CB-OD2 3.24Å; T408-D467 WeakPolarHBondContact CB-OD2 3.4Å
409Q90.5Very high91.5Very high64 Ų6440.7 Ų40.730%0.29920%0.2SC..Hα-helixtrans-74.7-37178.3-167.5-169.625.700111.1N385 E411 K412 L413 S466 D467N385-Q409 PolarHBondContact ND2-N 3.27Å; Q409-E411 VanDerWaalsContact C-N 3.33Å; Q409-E411 PolarHBondContact O-N 2.92Å; Q409-K412 WeakPolarHBondContact O-CB 3.41Å; Q409-K412 PolarHBondContact O-N 3.36Å; Q409-L413 HydrophobicContact CG-CD1 4.34Å; Q409-L413 HydrophobicContact CG-CG 4.46Å; Q409-L413 WeakPolarHBondContact O-CG 3.47Å; Q409-L413 PolarHBondContact O-N 2.93Å; Q409-S466 PolarHBondContact OE1-OG 2.84Å; Q409-D467 PolarHBondContact N-OD2 3.15Å; Q409-D467 VanDerWaalsContact N-OD2 3.14Å
410S93Very high91.3Very high6 Ų634.5 Ų34.54%0.04218%0.178CC..Hα-helixtrans-52.5-49.5172.146.70000111.3T408 K412 L413 R414 D467T408-S410 PolarHBondContact OG1-OG 3.37Å; S410-K412 PolarHBondContact O-N 3.42Å; S410-L413 PolarHBondContact O-N 3.25Å; S410-L413 VanDerWaalsContact O-N 3.09Å; S410-R414 WeakPolarHBondContact O-CB 3.03Å; S410-R414 WeakPolarHBondContact O-CG 3.37Å; S410-R414 PolarHBondContact O-N 3.39Å; S410-D467 VanDerWaalsContact CB-OD1 3.24Å; S410-D467 WeakPolarHBondContact CB-OD1 3.29Å; S410-D467 VanDerWaalsContact CB-OD2 3.29Å; S410-D467 WeakPolarHBondContact CB-OD2 3.24Å; S410-D467 PolarHBondContact N-OD1 2.87Å; S410-D467 PolarHBondContact N-OD2 3.41Å; S410-D467 VanDerWaalsContact OG-CG 3.31Å; S410-D467 PolarHBondContact OG-OD1 3.42Å; S410-D467 PolarHBondContact OG-OD2 3.11Å
411E93.6Very high90.4Very high39 Ų3939.5 Ų39.518%0.18220%0.199CC..Hα-helixtrans-59.8-44.6178-82.8-57.7109.900112.3K315 T406 T408 Q409 L413 R414 W415K315-E411 WeakPolarHBondContact CE-OE2 3.44Å; K315-E411 IonicContact NZ-OE1 2.63Å; K315-E411 PolarHBondContact NZ-OE1 2.84Å; K315-E411 IonicContact NZ-OE2 3.06Å; K315-E411 PolarHBondContact NZ-OE2 3.23Å; T406-E411 HydrophobicContact CG2-CB 3.98Å; T408-E411 WeakPolarHBondContact OG1-CB 3.43Å; T408-E411 WeakPolarHBondContact OG1-CG 3.48Å; T408-E411 PolarHBondContact OG1-N 2.94Å; Q409-E411 VanDerWaalsContact C-N 3.33Å; Q409-E411 PolarHBondContact O-N 2.92Å; E411-L413 VanDerWaalsContact C-N 3.33Å; E411-L413 PolarHBondContact O-N 2.87Å; E411-R414 PolarHBondContact O-N 3.16Å; E411-R414 IonicContact OE1-CZ 3.98Å; E411-R414 IonicContact OE1-NE 3.86Å; E411-R414 IonicContact OE1-NH1 2.95Å; E411-R414 PolarHBondContact OE1-NH1 3.29Å; E411-W415 WeakPolarHBondContact O-CB 3.28Å; E411-W415 PolarHBondContact O-N 3.42Å; E411-W415 PolarHBondContact OE2-NE1 2.97Å
412K92.5Very high89.2Confident28 Ų2839.5 Ų39.512%0.12221%0.208CC..Hα-helixtrans-54.2-50172.4165.7174.3170.2168.60111.5C375 N385 L386 T406 T408 Q409 S410 I416C375-K412 PolarHBondContact O-NZ 3.28Å; N385-K412 HydrophobicContact CB-CB 4.2Å; N385-K412 HydrophobicContact CB-CD 4.39Å; L386-K412 WeakPolarHBondContact O-CD 3.46Å; L386-K412 WeakPolarHBondContact O-CE 3.24Å; L386-K412 PolarHBondContact O-NZ 3.46Å; T406-K412 HydrophobicContact CG2-CB 4.48Å; T406-K412 WeakPolarHBondContact OG1-CB 3.46Å; T406-K412 PolarHBondContact OG1-N 3.33Å; T408-K412 PolarHBondContact O-N 3.39Å; Q409-K412 WeakPolarHBondContact O-CB 3.41Å; Q409-K412 PolarHBondContact O-N 3.36Å; S410-K412 PolarHBondContact O-N 3.42Å; K412-I416 HydrophobicContact CD-CD1 4.44Å; K412-I416 HydrophobicContact CG-CD1 3.73Å; K412-I416 WeakPolarHBondContact O-CB 3.44Å; K412-I416 WeakPolarHBondContact O-CD1 3.42Å; K412-I416 WeakPolarHBondContact O-CG1 3.27Å; K412-I416 PolarHBondContact O-N 2.88Å
413L91.9Very high88Confident10 Ų1045.9 Ų45.95%0.05223%0.231CC..Hα-helixtrans-69.6-39.2-175-68.3178.3000112.1Q409 S410 E411 I416 S417 Q463 W482Q409-L413 HydrophobicContact CG-CD1 4.34Å; Q409-L413 HydrophobicContact CG-CG 4.46Å; Q409-L413 WeakPolarHBondContact O-CG 3.47Å; Q409-L413 PolarHBondContact O-N 2.93Å; S410-L413 PolarHBondContact O-N 3.25Å; S410-L413 VanDerWaalsContact O-N 3.09Å; E411-L413 VanDerWaalsContact C-N 3.33Å; E411-L413 PolarHBondContact O-N 2.87Å; L413-I416 PolarHBondContact O-N 2.82Å; L413-S417 WeakPolarHBondContact O-CB 3.44Å; L413-S417 PolarHBondContact O-N 3.14Å; L413-Q463 HydrophobicContact CD1-CG 4.44Å; L413-W482 HydrophobicContact CB-CH2 3.56Å; L413-W482 HydrophobicContact CB-CZ2 4Å; L413-W482 HydrophobicContact CB-CZ3 4.44Å; L413-W482 HydrophobicContact CD1-CH2 4.34Å
414R93.4Very high86.6Confident5 Ų554.1 Ų54.12%0.01927%0.27CS..Hα-helixtrans-60.2-48.7174.3-72.8173.176.1170.513.1111.6S410 E411 I416 S417 A418 E447 D449 E450 W482S410-R414 WeakPolarHBondContact O-CB 3.03Å; S410-R414 WeakPolarHBondContact O-CG 3.37Å; S410-R414 PolarHBondContact O-N 3.39Å; E411-R414 PolarHBondContact O-N 3.16Å; E411-R414 IonicContact OE1-CZ 3.98Å; E411-R414 IonicContact OE1-NE 3.86Å; E411-R414 IonicContact OE1-NH1 2.95Å; E411-R414 PolarHBondContact OE1-NH1 3.29Å; R414-I416 PolarHBondContact O-N 3.1Å; R414-S417 PolarHBondContact O-N 2.69Å; R414-A418 WeakPolarHBondContact O-CB 3.49Å; R414-A418 PolarHBondContact O-N 2.81Å; R414-E447 IonicContact CZ-OE2 2.75Å; R414-E447 IonicContact NH1-OE1 2.79Å; R414-E447 IonicContact NH1-OE2 2.97Å; R414-E447 IonicContact NH2-OE2 2.88Å; R414-E447 PolarHBondContact NH2-OE2 2.89Å; R414-E447 VanDerWaalsContact NH2-OE2 3.17Å; R414-D449 IonicContact CZ-OD1 2.84Å; R414-D449 IonicContact CZ-OD2 3.86Å; R414-D449 IonicContact NE-OD1 2.84Å; R414-D449 IonicContact NE-OD2 3.45Å; R414-D449 PolarHBondContact NE-OD2 3.2Å; R414-D449 VanDerWaalsContact NH2-CG 3.29Å; R414-D449 IonicContact NH2-OD1 3.63Å; R414-D449 PolarHBondContact NH2-OD1 3.04Å; R414-D449 IonicContact NH2-OD2 3.75Å; R414-D449 PolarHBondContact NH2-OD2 3.09Å; R414-E450 IonicContact CZ-OE1 3.81Å; R414-E450 IonicContact NH1-OE1 3.26Å; R414-E450 IonicContact NH2-OE1 3.47Å; R414-E450 PolarHBondContact NH2-OE1 3.18Å; R414-W482 HydrophobicContact CG-CB 4.4Å; R414-W482 HydrophobicContact CG-CD2 3.5Å; R414-W482 HydrophobicContact CG-CE3 4.01Å; R414-W482 HydrophobicContact CG-CG 3.67Å; R414-W482 HydrophobicContact CG-CZ2 4.19Å
415W94Very high85.3Confident1 Ų161.8 Ų61.80%0.00431%0.305CS..Hα-helixtrans-60.2-44.5174.7-83.9108.3000112.5K315 L319 L341 L343 F387 E411 S417 A418 L419K315-W415 HydrophobicContact CB-CH2 4.1Å; K315-W415 HydrophobicContact CB-CZ3 4.09Å; K315-W415 HydrophobicContact CD-CD2 3.81Å; K315-W415 HydrophobicContact CD-CE3 4.07Å; K315-W415 HydrophobicContact CD-CG 4.25Å; K315-W415 HydrophobicContact CD-CH2 4.29Å; K315-W415 HydrophobicContact CD-CZ2 4.06Å; K315-W415 HydrophobicContact CD-CZ3 4.3Å; K315-W415 VanDerWaalsContact CE-CE2 3.5Å; K315-W415 VanDerWaalsContact CE-NE1 3.35Å; K315-W415 HydrophobicContact CG-CD2 4.45Å; K315-W415 HydrophobicContact CG-CE3 4.44Å; K315-W415 HydrophobicContact CG-CH2 3.88Å; K315-W415 HydrophobicContact CG-CZ2 3.88Å; K315-W415 HydrophobicContact CG-CZ3 4.17Å; L319-W415 HydrophobicContact CD1-CD2 4.4Å; L341-W415 HydrophobicContact CB-CH2 3.51Å; L341-W415 HydrophobicContact CB-CZ2 4.17Å; L341-W415 HydrophobicContact CB-CZ3 3.9Å; L341-W415 HydrophobicContact CD1-CE3 4.19Å; L341-W415 HydrophobicContact CD1-CH2 4.26Å; L341-W415 HydrophobicContact CD1-CZ3 3.98Å; L341-W415 HydrophobicContact CG-CH2 4.47Å; L343-W415 HydrophobicContact CB-CZ3 4.03Å; L343-W415 HydrophobicContact CD2-CZ3 4.48Å; F387-W415 HydrophobicContact CE1-CB 4.01Å; F387-W415 HydrophobicContact CE1-CG 4.3Å; F387-W415 HydrophobicContact CZ-CB 3.91Å; F387-W415 HydrophobicContact CZ-CG 4.18Å; E411-W415 WeakPolarHBondContact O-CB 3.28Å; E411-W415 PolarHBondContact O-N 3.42Å; E411-W415 PolarHBondContact OE2-NE1 2.97Å; W415-S417 VanDerWaalsContact C-N 3.33Å; W415-S417 PolarHBondContact O-N 2.8Å; W415-A418 PolarHBondContact O-N 2.89Å; W415-L419 VanDerWaalsContact O-CB 3.29Å; W415-L419 WeakPolarHBondContact O-CB 3.4Å; W415-L419 WeakPolarHBondContact O-CD1 3.21Å; W415-L419 WeakPolarHBondContact O-CG 3.21Å; W415-L419 PolarHBondContact O-N 2.75Å
416I91Very high84.1Confident21 Ų2161 Ų6111%0.10831%0.307CS..Hα-helixtrans-65.1-39.3178.3-68.9170.9000111.3K374 F387 K412 L413 R414 L419 A420K374-I416 HydrophobicContact CB-CD1 4.26Å; K374-I416 HydrophobicContact CG-CD1 3.45Å; K374-I416 VanDerWaalsContact CG-CD1 3.45Å; K374-I416 HydrophobicContact CG-CG2 4.34Å; F387-I416 HydrophobicContact CB-CD1 3.73Å; F387-I416 HydrophobicContact CB-CG1 3.88Å; F387-I416 HydrophobicContact CD2-CG1 4.42Å; F387-I416 HydrophobicContact CG-CG1 4.19Å; K412-I416 HydrophobicContact CD-CD1 4.44Å; K412-I416 HydrophobicContact CG-CD1 3.73Å; K412-I416 WeakPolarHBondContact O-CB 3.44Å; K412-I416 WeakPolarHBondContact O-CD1 3.42Å; K412-I416 WeakPolarHBondContact O-CG1 3.27Å; K412-I416 PolarHBondContact O-N 2.88Å; L413-I416 PolarHBondContact O-N 2.82Å; R414-I416 PolarHBondContact O-N 3.1Å; I416-L419 PolarHBondContact O-N 3.4Å; I416-A420 PolarHBondContact O-N 3.43Å; I416-A420 VanDerWaalsContact O-N 3.15Å
417S90.2Very high83.1Confident17 Ų1764.2 Ų64.212%0.11932%0.324CS..Hα-helixtrans-66.6-42.3177.1-165.30000111.6L413 R414 W415 L419 A420 E471 R480L413-S417 WeakPolarHBondContact O-CB 3.44Å; L413-S417 PolarHBondContact O-N 3.14Å; R414-S417 PolarHBondContact O-N 2.69Å; W415-S417 VanDerWaalsContact C-N 3.33Å; W415-S417 PolarHBondContact O-N 2.8Å; S417-L419 VanDerWaalsContact C-N 3.34Å; S417-L419 PolarHBondContact O-N 3.16Å; S417-A420 WeakPolarHBondContact O-CB 3.46Å; S417-A420 PolarHBondContact O-N 2.86Å; S417-E471 WeakPolarHBondContact CB-OE1 3.19Å; S417-E471 PolarHBondContact OG-OE1 3.22Å; S417-R480 PolarHBondContact OG-NH2 3.13Å; S417-R480 VanDerWaalsContact OG-NH2 3.12Å
418A91.1Very high82.1Confident16 Ų1657.2 Ų57.213%0.13229%0.292CS..Hα-helixtrans-67.1-33.5177.600000112.9V314 K315 L343 R414 W415 A420V314-A418 HydrophobicContact CG1-CB 4.15Å; K315-A418 HydrophobicContact CB-CB 4.45Å; L343-A418 HydrophobicContact CD2-CB 3.63Å; R414-A418 WeakPolarHBondContact O-CB 3.49Å; R414-A418 PolarHBondContact O-N 2.81Å; W415-A418 PolarHBondContact O-N 2.89Å; A418-A420 VanDerWaalsContact C-N 3.3Å
419L91.4Very high80.9Confident4 Ų460 Ų602%0.02130%0.304CS..THydrogen-bonded Turntrans-84-0.3176.5-67.4167.8000113.7L343 L348 I370 F387 L389 W415 I416 S417L343-L419 HydrophobicContact CD1-CD2 4.01Å; L343-L419 HydrophobicContact CD2-CD2 4.04Å; L343-L419 HydrophobicContact CD2-CG 4.38Å; L348-L419 HydrophobicContact CD2-CD2 4.25Å; I370-L419 HydrophobicContact CD1-CD2 3.64Å; I370-L419 HydrophobicContact CG1-CD2 4.38Å; F387-L419 HydrophobicContact CD2-CD1 4.41Å; F387-L419 HydrophobicContact CE2-CD1 3.71Å; F387-L419 HydrophobicContact CZ-CD1 4.43Å; L389-L419 HydrophobicContact CD1-CD1 4.03Å; L389-L419 HydrophobicContact CD1-CD2 3.97Å; W415-L419 VanDerWaalsContact O-CB 3.29Å; W415-L419 WeakPolarHBondContact O-CB 3.4Å; W415-L419 WeakPolarHBondContact O-CD1 3.21Å; W415-L419 WeakPolarHBondContact O-CG 3.21Å; W415-L419 PolarHBondContact O-N 2.75Å; I416-L419 PolarHBondContact O-N 3.4Å; S417-L419 VanDerWaalsContact C-N 3.34Å; S417-L419 PolarHBondContact O-N 3.16Å
420A84.9Confident80Confident36 Ų3664.1 Ų64.130%0.29832%0.323SS..SBendtrans-82.9150.2174.600000110.4F367 I416 S417 A418F367-A420 WeakPolarHBondContact CZ-O 3.45Å; I416-A420 PolarHBondContact O-N 3.43Å; I416-A420 VanDerWaalsContact O-N 3.15Å; S417-A420 WeakPolarHBondContact O-CB 3.46Å; S417-A420 PolarHBondContact O-N 2.86Å; A418-A420 VanDerWaalsContact C-N 3.3Å
421M67.9Low79Confident129 Ų12964.5 Ų64.564%0.63533%0.326SS*.PPolyproline II helixtrans-55146.8173.7-70.1-62.7-68.800110.9F367 R423F367-M421 HydrophobicContact CD1-SD 4.47Å; F367-M421 HydrophobicContact CE1-SD 4.06Å; M421-R423 PolarHBondContact O-N 2.96Å; M421-R423 VanDerWaalsContact O-N 3.11Å
422P64.9Low77.9Confident108 Ų10870 Ų7070%0.70135%0.346SS*.PPolyproline II helixtrans-49.9122.4171.9-23.832.7000109.3
423R65.4Low77.3Confident152 Ų15274.7 Ų74.757%0.57437%0.372SS*.PPolyproline II helixtrans-77.6144.8178.6-64.2-171.7-176.2-168.73.2109M421M421-R423 PolarHBondContact O-N 2.96Å; M421-R423 VanDerWaalsContact O-N 3.11Å
424E63.7Low76.9Confident188 Ų18875.7 Ų75.788%0.87938%0.38SS*.PPolyproline II helixtrans-57.8155169.4-68.5-178.8173.800110.5L426E424-L426 PolarHBondContact O-N 2.77Å
425E65.2Low76.9Confident160 Ų16078.4 Ų78.475%0.74840%0.399SS*.PPolyproline II helixtrans-58.1130.2176.7-148.4-174.8-136.800108.9D427 K508E425-D427 PolarHBondContact O-N 3.25Å; E425-K508 WeakPolarHBondContact OE2-CE 3.38Å; E425-K508 IonicContact OE2-NZ 2.76Å; E425-K508 PolarHBondContact OE2-NZ 2.89Å
426L67.3Low76.9Confident65 Ų6578.4 Ų78.434%0.3440%0.399SS..PPolyproline II helixtrans-61.9131.3-176.1-79.3152.4000110.8E424 L428 V473E424-L426 PolarHBondContact O-N 2.77Å; L426-L428 PolarHBondContact O-N 3.34Å; L426-V473 HydrophobicContact CD1-CB 3.87Å; L426-V473 HydrophobicContact CD1-CG1 4.2Å; L426-V473 HydrophobicContact CD1-CG2 3.36Å
427D70.2Confident77.1Confident74 Ų7477.4 Ų77.440%0.39639%0.394SS..  trans-75.5106.8163.7-168.5-9.4000109.3E425 L429 E430 C431E425-D427 PolarHBondContact O-N 3.25Å; D427-L429 PolarHBondContact O-N 3.08Å; D427-L429 VanDerWaalsContact OD1-CB 3.3Å; D427-L429 WeakPolarHBondContact OD1-CB 3.48Å; D427-L429 PolarHBondContact OD1-N 3.24Å; D427-E430 HydrophobicContact CB-CB 4.45Å; D427-E430 HydrophobicContact CB-CG 4.09Å; D427-E430 PolarHBondContact O-N 2.98Å; D427-E430 VanDerWaalsContact O-N 3.15Å; D427-C431 PolarHBondContact O-SG 2.85Å
428L69.8Low77.3Confident27 Ų2779.8 Ų79.814%0.14140%0.403CS..G310 helixtrans-62.9-23.3179.3-63.2177.8000112L426 E430 C431 M460 L475 L501 A504L426-L428 PolarHBondContact O-N 3.34Å; L428-E430 VanDerWaalsContact C-N 3.31Å; L428-C431 PolarHBondContact O-N 3.44Å; L428-M460 HydrophobicContact CD2-CE 3.62Å; L428-L475 HydrophobicContact CD2-CD2 4.13Å; L428-L501 HydrophobicContact CD2-CD2 4.4Å; L428-A504 HydrophobicContact CD1-CB 4.08Å
429L68Low77.2Confident109 Ų10979.1 Ų79.157%0.57140%0.397SS*.G310 helixtrans-70.8-27.7177.4-63.9172.3000112.2D427 C431D427-L429 PolarHBondContact O-N 3.08Å; D427-L429 VanDerWaalsContact OD1-CB 3.3Å; D427-L429 WeakPolarHBondContact OD1-CB 3.48Å; D427-L429 PolarHBondContact OD1-N 3.24Å; L429-C431 VanDerWaalsContact C-N 3.34Å
430E71.6Confident76.7Confident151 Ų15182.5 Ų82.571%0.70642%0.415SS*.G310 helixtrans-85.7-7.8178.6-61.6-168.2156.800113D427 L428D427-E430 HydrophobicContact CB-CB 4.45Å; D427-E430 HydrophobicContact CB-CG 4.09Å; D427-E430 PolarHBondContact O-N 2.98Å; D427-E430 VanDerWaalsContact O-N 3.15Å; L428-E430 VanDerWaalsContact C-N 3.31Å
431C71.4Confident76.6Confident14 Ų1487.8 Ų87.810%0.09543%0.427CS..  trans-102.619.6-168.6-66.90000115D427 L428 L429 N433 S434 M460D427-C431 PolarHBondContact O-SG 2.85Å; L428-C431 PolarHBondContact O-N 3.44Å; L429-C431 VanDerWaalsContact C-N 3.34Å; C431-N433 PolarHBondContact O-N 3.07Å; C431-N433 VanDerWaalsContact O-N 3.15Å; C431-S434 WeakPolarHBondContact O-CB 3.47Å; C431-S434 PolarHBondContact O-N 2.96Å; C431-S434 PolarHBondContact O-OG 2.83Å; C431-M460 HydrophobicContact CB-CE 3.67Å; C431-M460 HydrophobicContact CB-SD 3.54Å; C431-M460 VanDerWaalsContact CB-SD 3.54Å
432Y71.1Confident77.4Confident156 Ų15685.2 Ų85.261%0.61243%0.426SS*.THydrogen-bonded Turntrans-59.6-27.8-174.553.6-87.6000114.6
433N78Confident78.7Confident125 Ų12581.3 Ų81.367%0.66840%0.398SS*.THydrogen-bonded Turntrans-94.3-3.3179.1-75.1-20.5000114.1C431C431-N433 PolarHBondContact O-N 3.07Å; C431-N433 VanDerWaalsContact O-N 3.15Å
434S85.1Confident79.8Confident32 Ų3282.4 Ų82.422%0.22441%0.407CS..SBendtrans-67.6134.5-177.7-63.80000110.7C431C431-S434 WeakPolarHBondContact O-CB 3.47Å; C431-S434 PolarHBondContact O-N 2.96Å; C431-S434 PolarHBondContact O-OG 2.83Å
435P93.1Very high81.1Confident62 Ų6275.8 Ų75.840%0.40338%0.38SS..  trans-58.6142.7173.5-19.630.5000110.5V461 F490P435-V461 HydrophobicContact CB-CB 4.27Å; P435-V461 PolarHBondContact O-N 3.21Å; P435-F490 HydrophobicContact CB-CD1 4.4Å; P435-F490 HydrophobicContact CB-CE1 4.24Å
436Q94.6Very high82.3Confident1 Ų178.6 Ų78.61%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-121.1146.5174.2-64.6175.521.400109.2V458 V459 I491 R497 N500Q436-V458 HydrophobicContact CB-CG1 4.4Å; Q436-V459 WeakPolarHBondContact CA-O 3.05Å; Q436-I491 HydrophobicContact CB-CB 4.31Å; Q436-I491 HydrophobicContact CB-CD1 4.01Å; Q436-I491 HydrophobicContact CB-CG1 4.4Å; Q436-I491 PolarHBondContact O-N 3.36Å; Q436-R497 HydrophobicContact CB-CG 4.09Å; Q436-R497 HydrophobicContact CG-CG 4.15Å; Q436-R497 PolarHBondContact NE2-O 3.33Å; Q436-N500 PolarHBondContact OE1-ND2 2.81Å
437V95.3Very high83.5Confident0 Ų078.8 Ų78.80%038%0.383CS..EExtended strand (participates in β ladder)trans-125.1147.7174.4-63.20000109.8V458 V459 V461 L470 F483 V488 E489 F490V437-V458 WeakPolarHBondContact O-CA 3.44Å; V437-V459 HydrophobicContact CG2-CB 3.89Å; V437-V459 PolarHBondContact N-O 2.81Å; V437-V459 PolarHBondContact O-N 3.42Å; V437-V461 HydrophobicContact CB-CG2 4.39Å; V437-V461 HydrophobicContact CG1-CG2 3.66Å; V437-V461 HydrophobicContact CG2-CG2 3.94Å; V437-L470 HydrophobicContact CG1-CD1 4.21Å; V437-F483 HydrophobicContact CG2-CE2 3.87Å; V437-F483 HydrophobicContact CG2-CZ 3.96Å; V437-V488 HydrophobicContact CB-CB 3.93Å; V437-V488 HydrophobicContact CB-CG2 3.88Å; V437-V488 HydrophobicContact CG1-CG2 4.08Å; V437-V488 HydrophobicContact CG2-CB 4.05Å; V437-V488 HydrophobicContact CG2-CG1 4.24Å; V437-V488 HydrophobicContact CG2-CG2 4Å; V437-E489 CarbonylContact C-O 3.51Å; V437-E489 WeakPolarHBondContact CA-O 3.49Å; V437-E489 WeakPolarHBondContact CB-O 3.49Å; V437-F490 HydrophobicContact CG1-CD1 3.55Å; V437-F490 HydrophobicContact CG1-CD2 4.22Å; V437-F490 HydrophobicContact CG1-CE1 3.65Å; V437-F490 HydrophobicContact CG1-CE2 4.3Å; V437-F490 HydrophobicContact CG1-CG 3.87Å; V437-F490 HydrophobicContact CG1-CZ 4.04Å
438Q92.8Very high84.4Confident67 Ų6779.6 Ų79.631%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-108.6134.3172.9-170.717812.500109.4L440 D457 V488 E489 I491Q438-L440 PolarHBondContact O-N 3.16Å; Q438-D457 CarbonylContact C-O 3.45Å; Q438-D457 WeakPolarHBondContact CA-O 3.46Å; Q438-V488 CarbonylContact O-C 3.53Å; Q438-V488 VanDerWaalsContact O-CA 3.25Å; Q438-V488 WeakPolarHBondContact O-CA 3.47Å; Q438-V488 WeakPolarHBondContact O-CB 3.27Å; Q438-E489 PolarHBondContact N-O 2.9Å; Q438-E489 PolarHBondContact O-N 2.97Å; Q438-I491 HydrophobicContact CB-CD1 4.21Å; Q438-I491 HydrophobicContact CB-CG1 4.16Å
439C90.2Very high85.4Confident2 Ų279.2 Ų79.21%0.01439%0.385CS..EExtended strand (participates in β ladder)trans-76.1120.6178.6-176.60000111.4R441 L453 E454 A456 D457 V488C439-R441 PolarHBondContact SG-O 2.74Å; C439-L453 HydrophobicContact CB-CB 4.3Å; C439-L453 VanDerWaalsContact SG-CB 3.53Å; C439-E454 WeakPolarHBondContact CB-O 3.24Å; C439-E454 PolarHBondContact SG-O 3.09Å; C439-A456 PolarHBondContact O-N 2.93Å; C439-D457 HydrophobicContact CB-CB 3.96Å; C439-D457 WeakPolarHBondContact CB-O 3.47Å; C439-D457 PolarHBondContact N-O 3.12Å; C439-V488 HydrophobicContact CB-CG1 4.5Å
440L80.8Confident86.7Confident75 Ų7574.8 Ų74.839%0.39336%0.362SS..SBendtrans-88.8-30.6178.3-61.3-177.3000112Q438 Q487 E489Q438-L440 PolarHBondContact O-N 3.16Å; L440-Q487 PolarHBondContact N-O 3.15Å; L440-E489 HydrophobicContact CD1-CB 3.89Å; L440-E489 HydrophobicContact CD2-CB 4.28Å; L440-E489 HydrophobicContact CG-CB 4.1Å
441R82.1Confident87.7Confident147 Ų14767.8 Ų67.856%0.55533%0.329SS*.SBendtrans-141132.9-173.6-76179.6-82.7168.4-4.1110C439 Y443 Q486 Q487C439-R441 PolarHBondContact SG-O 2.74Å; R441-Y443 PolarHBondContact O-N 2.84Å; R441-Q486 PolarHBondContact NH2-O 2.92Å; R441-Q487 PolarHBondContact N-O 3.47Å
442A84.3Confident88.7Confident75 Ų7569 Ų6962%0.6234%0.34SS*.  trans-57.1135.9179.200000111.4L453A442-L453 CarbonylContact C-O 3.4Å; A442-L453 WeakPolarHBondContact CA-O 3.47Å; A442-L453 WeakPolarHBondContact CB-O 3.43Å
443Y92.3Very high89.6Confident25 Ų2561.7 Ų61.710%0.09831%0.312CS..BIsolated β-bridgetrans-117.5123.7179.1-178.1-108.2000110.2R441 E450 L451 L453 F483 P484 Q487R441-Y443 PolarHBondContact O-N 2.84Å; Y443-E450 HydrophobicContact CE1-CB 4.21Å; Y443-E450 WeakPolarHBondContact CE1-OE2 3.43Å; Y443-E450 PolarHBondContact OH-OE2 2.94Å; Y443-L451 WeakPolarHBondContact CD1-O 3.32Å; Y443-L453 PolarHBondContact N-O 2.79Å; Y443-L453 PolarHBondContact O-N 3Å; Y443-F483 HydrophobicContact CD1-CB 4.45Å; Y443-P484 HydrophobicContact CD2-CG 3.73Å; Y443-P484 HydrophobicContact CE1-CG 4.42Å; Y443-P484 HydrophobicContact CE2-CG 3.4Å; Y443-P484 VanDerWaalsContact CE2-CG 3.4Å; Y443-P484 HydrophobicContact CG-CG 4.36Å; Y443-Q487 HydrophobicContact CD2-CG 3.96Å; Y443-Q487 HydrophobicContact CG-CG 4.34Å
444K88.9Confident89.9Confident175 Ų17562 Ų6276%0.76131%0.309SS*.  trans-96.9120.4174.7-171.8176.6179.7-179.90109.4
445P91.3Very high89.6Confident49 Ų4967.5 Ų67.532%0.31833%0.329SS..  trans-54.6138.7176.8-31.440.3000112.7E450 A452P445-E450 HydrophobicContact CB-CB 3.92Å; P445-E450 HydrophobicContact CG-CB 4.48Å; P445-A452 HydrophobicContact CG-CB 3.61Å
446R91.2Very high89Confident220 Ų22066.9 Ų66.983%0.8333%0.329SS*.SBendtrans-103.1-32.5172.3-62.7-178178-172.2-0.4112E450R446-E450 PolarHBondContact N-OE2 3.12Å
447E90.9Very high88.7Confident69 Ų6968 Ų6832%0.32234%0.335SS..SBendtrans-119159.5175.9-63.5179.4-15200110.8K315 R414 D449 E450K315-E447 IonicContact NZ-OE2 3.88Å; K315-E447 PolarHBondContact NZ-OE2 3.32Å; R414-E447 IonicContact CZ-OE2 2.75Å; R414-E447 IonicContact NH1-OE1 2.79Å; R414-E447 IonicContact NH1-OE2 2.97Å; R414-E447 IonicContact NH2-OE2 2.88Å; R414-E447 PolarHBondContact NH2-OE2 2.89Å; R414-E447 VanDerWaalsContact NH2-OE2 3.17Å; E447-D449 VanDerWaalsContact C-N 3.25Å; E447-D449 VanDerWaalsContact CB-OD1 3.26Å; E447-D449 WeakPolarHBondContact CB-OD1 3.39Å; E447-D449 PolarHBondContact O-N 2.87Å; E447-E450 HydrophobicContact CB-CG 4.14Å; E447-E450 WeakPolarHBondContact O-CB 3.35Å; E447-E450 PolarHBondContact O-N 2.8Å
448N89.9Confident88.5Confident91 Ų9169.3 Ų69.349%0.48734%0.343SS..THydrogen-bonded Turntrans-69-19.1-174.1-71.4-22.2000114.1E289 L313 V314 E450E289-N448 PolarHBondContact OE2-ND2 2.8Å; L313-N448 PolarHBondContact O-ND2 3.27Å; V314-N448 WeakPolarHBondContact O-CB 3.37Å; N448-E450 VanDerWaalsContact C-N 3.34Å
449D91.6Very high88.6Confident19 Ų1966.1 Ų66.110%0.10233%0.328CS..THydrogen-bonded Turntrans-89.81.9176.763.7-36.3000113.3K315 R414 E447 G481 W482K315-D449 IonicContact NZ-OD1 2.8Å; K315-D449 IonicContact NZ-OD2 2.61Å; K315-D449 PolarHBondContact NZ-OD2 2.74Å; R414-D449 IonicContact CZ-OD1 2.84Å; R414-D449 IonicContact CZ-OD2 3.86Å; R414-D449 IonicContact NE-OD1 2.84Å; R414-D449 IonicContact NE-OD2 3.45Å; R414-D449 PolarHBondContact NE-OD2 3.2Å; R414-D449 VanDerWaalsContact NH2-CG 3.29Å; R414-D449 IonicContact NH2-OD1 3.63Å; R414-D449 PolarHBondContact NH2-OD1 3.04Å; R414-D449 IonicContact NH2-OD2 3.75Å; R414-D449 PolarHBondContact NH2-OD2 3.09Å; E447-D449 VanDerWaalsContact C-N 3.25Å; E447-D449 VanDerWaalsContact CB-OD1 3.26Å; E447-D449 WeakPolarHBondContact CB-OD1 3.39Å; E447-D449 PolarHBondContact O-N 2.87Å; D449-G481 WeakPolarHBondContact O-CA 3.49Å; D449-W482 PolarHBondContact O-N 3.46Å
450E94.4Very high88.7Confident15 Ų1566.1 Ų66.17%0.0733%0.328CS..BIsolated β-bridgetrans-91.5138.6179.5-59.9177.5-17100112.6R414 Y443 P445 R446 E447 N448 W469 W482R414-E450 IonicContact CZ-OE1 3.81Å; R414-E450 IonicContact NH1-OE1 3.26Å; R414-E450 IonicContact NH2-OE1 3.47Å; R414-E450 PolarHBondContact NH2-OE1 3.18Å; Y443-E450 HydrophobicContact CE1-CB 4.21Å; Y443-E450 WeakPolarHBondContact CE1-OE2 3.43Å; Y443-E450 PolarHBondContact OH-OE2 2.94Å; P445-E450 HydrophobicContact CB-CB 3.92Å; P445-E450 HydrophobicContact CG-CB 4.48Å; R446-E450 PolarHBondContact N-OE2 3.12Å; E447-E450 HydrophobicContact CB-CG 4.14Å; E447-E450 WeakPolarHBondContact O-CB 3.35Å; E447-E450 PolarHBondContact O-N 2.8Å; N448-E450 VanDerWaalsContact C-N 3.34Å; E450-W469 HydrophobicContact CG-CH2 4.36Å; E450-W469 HydrophobicContact CG-CZ3 4.05Å; E450-W469 WeakPolarHBondContact OE1-CH2 3.46Å; E450-W482 CarbonylContact C-O 3.58Å; E450-W482 WeakPolarHBondContact CA-O 3.39Å; E450-W482 WeakPolarHBondContact CB-O 3.22Å
451L93.3Very high89.3Confident4 Ų463.1 Ų63.12%0.02131%0.313CS..PPolyproline II helixtrans-84.6122.6177.7-174.259.8000109.8Y443 L453 V459 R474 E479 W482 F483Y443-L451 WeakPolarHBondContact CD1-O 3.32Å; L451-L453 HydrophobicContact CD2-CD2 3.99Å; L451-L453 HydrophobicContact CG-CD2 4.04Å; L451-V459 HydrophobicContact CD2-CG1 4.21Å; L451-V459 HydrophobicContact CD2-CG2 4.35Å; L451-R474 HydrophobicContact CD2-CB 4.4Å; L451-E479 HydrophobicContact CD1-CB 3.75Å; L451-W482 PolarHBondContact N-O 3.38Å; L451-F483 HydrophobicContact CB-CD1 4.16Å; L451-F483 HydrophobicContact CD2-CD1 4.08Å; L451-F483 HydrophobicContact CD2-CE1 4.23Å
452A91.6Very high89.7Confident39 Ų3958.6 Ų58.632%0.32230%0.301SS..PPolyproline II helixtrans-65.5140.4169.300000109.5P445 R474P445-A452 HydrophobicContact CG-CB 3.61Å; A452-R474 PolarHBondContact O-NH1 2.56Å; A452-R474 PolarHBondContact O-NH2 3.34Å
453L90.3Very high90Very high4 Ų457.1 Ų57.12%0.02128%0.282CS..BIsolated β-bridgetrans-127.7138.8176.8-58173.3000110.3C439 A442 Y443 L451 V459 F483 V488C439-L453 HydrophobicContact CB-CB 4.3Å; C439-L453 VanDerWaalsContact SG-CB 3.53Å; A442-L453 CarbonylContact C-O 3.4Å; A442-L453 WeakPolarHBondContact CA-O 3.47Å; A442-L453 WeakPolarHBondContact CB-O 3.43Å; Y443-L453 PolarHBondContact N-O 2.79Å; Y443-L453 PolarHBondContact O-N 3Å; L451-L453 HydrophobicContact CD2-CD2 3.99Å; L451-L453 HydrophobicContact CG-CD2 4.04Å; L453-V459 HydrophobicContact CD2-CG2 3.67Å; L453-F483 HydrophobicContact CD1-CB 3.79Å; L453-F483 HydrophobicContact CD1-CD2 3.78Å; L453-F483 HydrophobicContact CD1-CG 3.8Å; L453-F483 HydrophobicContact CG-CB 4.44Å; L453-V488 HydrophobicContact CD1-CG1 3.86Å
454E83.8Confident90Very high132 Ų13261.1 Ų61.162%0.61730%0.302SS*.  trans-105.2159.9167.3-63-169.3173.100110C439 A456 D457C439-E454 WeakPolarHBondContact CB-O 3.24Å; C439-E454 PolarHBondContact SG-O 3.09Å; E454-A456 PolarHBondContact O-N 2.98Å; E454-D457 PolarHBondContact N-OD2 3.25Å; E454-D457 WeakPolarHBondContact O-CB 3.34Å; E454-D457 PolarHBondContact O-N 3.39Å; E454-D457 VanDerWaalsContact O-N 3.16Å
455K78.9Confident90.2Very high146 Ų14653 Ų5364%0.63527%0.266SS*.THydrogen-bonded Turntrans-62.1136.4178.9-174.2178.9-179.8-173.30109.5D457K455-D457 VanDerWaalsContact C-N 3.29Å
456A81.4Confident90.2Very high50 Ų5055.7 Ų55.741%0.41329%0.287SS..THydrogen-bonded Turntrans73.33-174.800000116.4C439 E454 V458C439-A456 PolarHBondContact O-N 2.93Å; E454-A456 PolarHBondContact O-N 2.98Å; A456-V458 PolarHBondContact O-N 3.43Å
457D87.1Confident90.3Very high23 Ų2348.1 Ų48.112%0.12326%0.263CS..  trans-57.7133.9169.5-81.6-14.6000111Q438 C439 E454 K455 R474Q438-D457 CarbonylContact C-O 3.45Å; Q438-D457 WeakPolarHBondContact CA-O 3.46Å; C439-D457 HydrophobicContact CB-CB 3.96Å; C439-D457 WeakPolarHBondContact CB-O 3.47Å; C439-D457 PolarHBondContact N-O 3.12Å; E454-D457 PolarHBondContact N-OD2 3.25Å; E454-D457 WeakPolarHBondContact O-CB 3.34Å; E454-D457 PolarHBondContact O-N 3.39Å; E454-D457 VanDerWaalsContact O-N 3.16Å; K455-D457 VanDerWaalsContact C-N 3.29Å; D457-R474 HydrophobicContact CB-CG 4.44Å; D457-R474 IonicContact OD2-CZ 3.04Å; D457-R474 IonicContact OD2-NE 3.08Å; D457-R474 IonicContact OD2-NH1 3.04Å; D457-R474 PolarHBondContact OD2-NH1 3.31Å
458V91.4Very high90.4Very high28 Ų2845.3 Ų45.317%0.1725%0.253CS..EExtended strand (participates in β ladder)trans-103.2124.7174.1-177.30000109.4Q436 V437 A456 L475 I491 N500Q436-V458 HydrophobicContact CB-CG1 4.4Å; V437-V458 WeakPolarHBondContact O-CA 3.44Å; A456-V458 PolarHBondContact O-N 3.43Å; V458-L475 HydrophobicContact CB-CD1 4.37Å; V458-L475 HydrophobicContact CG1-CD1 3.72Å; V458-L475 HydrophobicContact CG1-CG 4.37Å; V458-L475 PolarHBondContact O-N 3.36Å; V458-I491 HydrophobicContact CG1-CD1 3.92Å; V458-I491 HydrophobicContact CG2-CD1 4.44Å; V458-N500 HydrophobicContact CG1-CB 4.48Å
459V94.1Very high90.8Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-122129.6-177.6-173.70000109.9Q436 V437 L451 L453 R474 F483Q436-V459 WeakPolarHBondContact CA-O 3.05Å; V437-V459 HydrophobicContact CG2-CB 3.89Å; V437-V459 PolarHBondContact N-O 2.81Å; V437-V459 PolarHBondContact O-N 3.42Å; L451-V459 HydrophobicContact CD2-CG1 4.21Å; L451-V459 HydrophobicContact CD2-CG2 4.35Å; L453-V459 HydrophobicContact CD2-CG2 3.67Å; V459-R474 HydrophobicContact CG2-CB 4.41Å; V459-R474 HydrophobicContact CG2-CG 4.29Å; V459-F483 HydrophobicContact CB-CE1 4.42Å; V459-F483 HydrophobicContact CB-CZ 4.08Å; V459-F483 HydrophobicContact CG1-CE1 3.59Å; V459-F483 HydrophobicContact CG1-CZ 3.61Å
460M93.5Very high91Very high2 Ų242.4 Ų42.41%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-80.6123.1169.7-172.9-167.3-49.600109.5L428 C431 G472 V473 L475 L501L428-M460 HydrophobicContact CD2-CE 3.62Å; C431-M460 HydrophobicContact CB-CE 3.67Å; C431-M460 HydrophobicContact CB-SD 3.54Å; C431-M460 VanDerWaalsContact CB-SD 3.54Å; M460-G472 CarbonylContact O-C 3.53Å; M460-G472 WeakPolarHBondContact O-CA 3.47Å; M460-V473 PolarHBondContact N-O 3.05Å; M460-V473 PolarHBondContact O-N 3.15Å; M460-L475 HydrophobicContact CB-CD2 4.11Å; M460-L475 HydrophobicContact CE-CD2 3.7Å; M460-L501 HydrophobicContact CE-CD2 3.75Å
461V93.9Very high91Very high13 Ų1342 Ų428%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-83.5124.2-177.3-178.70000110.2P435 V437 L470 F490P435-V461 HydrophobicContact CB-CB 4.27Å; P435-V461 PolarHBondContact O-N 3.21Å; V437-V461 HydrophobicContact CB-CG2 4.39Å; V437-V461 HydrophobicContact CG1-CG2 3.66Å; V437-V461 HydrophobicContact CG2-CG2 3.94Å; V461-L470 HydrophobicContact CG1-CD2 4.09Å; V461-L470 HydrophobicContact CG2-CD1 4.44Å; V461-F490 HydrophobicContact CG2-CE1 4.38Å
462T90Very high91Very high51 Ų5141.8 Ų41.831%0.31323%0.23SC..EExtended strand (participates in β ladder)trans-101.4-28.8177.257.10000112.6E471 V473T462-E471 PolarHBondContact N-O 3.48Å; T462-E471 PolarHBondContact OG1-O 2.84Å; T462-E471 PolarHBondContact OG1-OE2 2.84Å; T462-V473 HydrophobicContact CG2-CG2 4.4Å
463Q90.4Very high91Very high45 Ų4540.5 Ų40.521%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-154.7153179.2-173.2164.494.500111.3L413 L470 E471 W482L413-Q463 HydrophobicContact CD1-CG 4.44Å; Q463-L470 WeakPolarHBondContact O-CA 3.35Å; Q463-E471 HydrophobicContact CB-CB 3.99Å; Q463-E471 PolarHBondContact N-O 3.16Å; Q463-E471 PolarHBondContact O-N 3.23Å; Q463-W482 HydrophobicContact CB-CH2 4.45Å; Q463-W482 HydrophobicContact CG-CH2 4.18Å
464Q93.2Very high91Very high109 Ų10941.1 Ų41.151%0.50922%0.221SC..EExtended strand (participates in β ladder)trans-133.5140.5174.7176.2169.56.400110.5W469 L470Q464-W469 WeakPolarHBondContact CA-O 3.43Å; Q464-L470 HydrophobicContact CB-CD2 3.59Å; Q464-L470 HydrophobicContact CG-CD2 3.51Å
465S92.8Very high91.2Very high3 Ų336 Ų362%0.02120%0.198CC..  trans-98.2155.3169.774.50000111.2D467 G468 W469S465-D467 WeakPolarHBondContact CB-OD1 3.37Å; S465-D467 PolarHBondContact O-N 3.12Å; S465-D467 PolarHBondContact OG-OD1 2.5Å; S465-G468 PolarHBondContact O-N 3.49Å; S465-W469 PolarHBondContact N-O 2.93Å; S465-W469 WeakPolarHBondContact OG-CA 3.33Å; S465-W469 WeakPolarHBondContact OG-CB 3.34Å; S465-W469 PolarHBondContact OG-N 3.17Å; S465-W469 PolarHBondContact OG-O 3.47Å
466S91.1Very high91.3Very high107 Ų10732.1 Ų32.175%0.74819%0.189SC*.THydrogen-bonded Turntrans-72.3-17.5178.964.20000114Q409 G468Q409-S466 PolarHBondContact OE1-OG 2.84Å; S466-G468 VanDerWaalsContact C-N 3.34Å
467D92.1Very high91.1Very high60 Ų6032.3 Ų32.332%0.32118%0.183SC..THydrogen-bonded Turntrans-9516.5178.157.3-4.9000113T408 Q409 S410 S465T408-D467 VanDerWaalsContact CB-OD2 3.24Å; T408-D467 WeakPolarHBondContact CB-OD2 3.4Å; Q409-D467 PolarHBondContact N-OD2 3.15Å; Q409-D467 VanDerWaalsContact N-OD2 3.14Å; S410-D467 VanDerWaalsContact CB-OD1 3.24Å; S410-D467 WeakPolarHBondContact CB-OD1 3.29Å; S410-D467 VanDerWaalsContact CB-OD2 3.29Å; S410-D467 WeakPolarHBondContact CB-OD2 3.24Å; S410-D467 PolarHBondContact N-OD1 2.87Å; S410-D467 PolarHBondContact N-OD2 3.41Å; S410-D467 VanDerWaalsContact OG-CG 3.31Å; S410-D467 PolarHBondContact OG-OD1 3.42Å; S410-D467 PolarHBondContact OG-OD2 3.11Å; S465-D467 WeakPolarHBondContact CB-OD1 3.37Å; S465-D467 PolarHBondContact O-N 3.12Å; S465-D467 PolarHBondContact OG-OD1 2.5Å
468G94.8Very high91Very high11 Ų1133.5 Ų33.511%0.11320%0.2CC..SBendtrans88.827.1165.900000115.4S465 S466 V485S465-G468 PolarHBondContact O-N 3.49Å; S466-G468 VanDerWaalsContact C-N 3.34Å; G468-V485 WeakPolarHBondContact O-CB 3.17Å; G468-V485 VanDerWaalsContact O-CG1 3.24Å; G468-V485 WeakPolarHBondContact O-CG1 3.49Å; G468-V485 PolarHBondContact O-N 3.48Å
469W96.4Very high90.7Very high49 Ų4935.7 Ų35.719%0.18621%0.209CC..EExtended strand (participates in β ladder)trans-108.2145.6169-72.677.3000111.4E450 Q464 S465 W482E450-W469 HydrophobicContact CG-CH2 4.36Å; E450-W469 HydrophobicContact CG-CZ3 4.05Å; E450-W469 WeakPolarHBondContact OE1-CH2 3.46Å; Q464-W469 WeakPolarHBondContact CA-O 3.43Å; S465-W469 PolarHBondContact N-O 2.93Å; S465-W469 WeakPolarHBondContact OG-CA 3.33Å; S465-W469 WeakPolarHBondContact OG-CB 3.34Å; S465-W469 PolarHBondContact OG-N 3.17Å; S465-W469 PolarHBondContact OG-O 3.47Å; W469-W482 HydrophobicContact CB-CE3 4.04Å; W469-W482 HydrophobicContact CB-CZ3 4.32Å; W469-W482 HydrophobicContact CE3-CB 4.12Å; W469-W482 HydrophobicContact CZ3-CB 4.38Å
470L96.6Very high90.5Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-119.8143.6176.6-61.4175.9000109.1V437 V461 Q463 Q464 W482 F483 V485 V488 F490V437-L470 HydrophobicContact CG1-CD1 4.21Å; V461-L470 HydrophobicContact CG1-CD2 4.09Å; V461-L470 HydrophobicContact CG2-CD1 4.44Å; Q463-L470 WeakPolarHBondContact O-CA 3.35Å; Q464-L470 HydrophobicContact CB-CD2 3.59Å; Q464-L470 HydrophobicContact CG-CD2 3.51Å; L470-W482 CarbonylContact O-C 3.59Å; L470-W482 VanDerWaalsContact O-CA 3.26Å; L470-W482 WeakPolarHBondContact O-CA 3.39Å; L470-F483 HydrophobicContact CB-CD2 4.07Å; L470-F483 HydrophobicContact CB-CE1 4.26Å; L470-F483 HydrophobicContact CB-CE2 3.59Å; L470-F483 HydrophobicContact CB-CZ 3.69Å; L470-F483 HydrophobicContact CD1-CD2 4.45Å; L470-F483 HydrophobicContact CD1-CE2 3.69Å; L470-F483 HydrophobicContact CD1-CZ 4.29Å; L470-F483 HydrophobicContact CG-CE2 4.25Å; L470-F483 PolarHBondContact N-O 3.11Å; L470-F483 PolarHBondContact O-N 2.85Å; L470-V485 HydrophobicContact CD1-CB 4.28Å; L470-V485 HydrophobicContact CD1-CG2 4.05Å; L470-V485 HydrophobicContact CG-CB 4.32Å; L470-V485 HydrophobicContact CG-CG2 4.44Å; L470-V488 HydrophobicContact CD1-CG2 3.75Å; L470-F490 HydrophobicContact CD1-CZ 4.29Å; L470-F490 HydrophobicContact CD2-CZ 4.32Å
471E94.6Very high90.5Very high5 Ų540.1 Ų40.12%0.02323%0.227CC..EExtended strand (participates in β ladder)trans-108.5139164.1-168.1-174.8-133.500108S417 T462 Q463 R480 W482S417-E471 WeakPolarHBondContact CB-OE1 3.19Å; S417-E471 PolarHBondContact OG-OE1 3.22Å; T462-E471 PolarHBondContact N-O 3.48Å; T462-E471 PolarHBondContact OG1-O 2.84Å; T462-E471 PolarHBondContact OG1-OE2 2.84Å; Q463-E471 HydrophobicContact CB-CB 3.99Å; Q463-E471 PolarHBondContact N-O 3.16Å; Q463-E471 PolarHBondContact O-N 3.23Å; E471-R480 IonicContact OE1-CZ 3.5Å; E471-R480 IonicContact OE1-NE 3.55Å; E471-R480 IonicContact OE1-NH2 3.13Å; E471-R480 PolarHBondContact OE1-NH2 2.8Å; E471-R480 IonicContact OE2-CZ 3.65Å; E471-R480 IonicContact OE2-NE 2.73Å; E471-R480 IonicContact OE2-NH2 2.73Å; E471-R480 PolarHBondContact OE2-NH2 3.41Å; E471-W482 HydrophobicContact CB-CD2 3.79Å; E471-W482 HydrophobicContact CB-CE3 3.92Å; E471-W482 HydrophobicContact CB-CG 4.44Å; E471-W482 HydrophobicContact CB-CH2 3.91Å; E471-W482 HydrophobicContact CB-CZ2 3.77Å; E471-W482 HydrophobicContact CB-CZ3 3.99Å; E471-W482 HydrophobicContact CG-CD2 4.15Å; E471-W482 HydrophobicContact CG-CG 4.43Å; E471-W482 HydrophobicContact CG-CZ2 4.13Å; E471-W482 PolarHBondContact OE1-NE1 3.02Å
472G92.7Very high90.6Very high0 Ų039.8 Ų39.80%022%0.224CC..EExtended strand (participates in β ladder)trans-165.2179.1178.200000114.2M460 R480 G481M460-G472 CarbonylContact O-C 3.53Å; M460-G472 WeakPolarHBondContact O-CA 3.47Å; G472-R480 WeakPolarHBondContact O-CA 3.29Å; G472-R480 WeakPolarHBondContact O-CG 3.47Å; G472-G481 PolarHBondContact N-O 3.43Å; G472-G481 VanDerWaalsContact N-O 3.13Å; G472-G481 PolarHBondContact O-N 2.85Å; G472-G481 VanDerWaalsContact O-N 3.16Å
473V91.7Very high90.9Very high13 Ų1337.3 Ų37.38%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-121.7124.4178.8-178.30000109.9L426 M460 T462 G478 E479 R480L426-V473 HydrophobicContact CD1-CB 3.87Å; L426-V473 HydrophobicContact CD1-CG1 4.2Å; L426-V473 HydrophobicContact CD1-CG2 3.36Å; M460-V473 PolarHBondContact N-O 3.05Å; M460-V473 PolarHBondContact O-N 3.15Å; T462-V473 HydrophobicContact CG2-CG2 4.4Å; V473-G478 WeakPolarHBondContact CG1-O 3.43Å; V473-E479 CarbonylContact C-O 3.54Å; V473-E479 WeakPolarHBondContact CA-O 3.17Å; V473-R480 HydrophobicContact CG2-CB 3.86Å; V473-R480 HydrophobicContact CG2-CG 3.86Å
474R91.1Very high91.2Very high17 Ų1735.6 Ų35.66%0.06420%0.202CC..EExtended strand (participates in β ladder)trans-73.4127.9179.6-162.2-171.5-43-170.131.8109.8L451 A452 D457 V459 S476 G478 E479L451-R474 HydrophobicContact CD2-CB 4.4Å; A452-R474 PolarHBondContact O-NH1 2.56Å; A452-R474 PolarHBondContact O-NH2 3.34Å; D457-R474 HydrophobicContact CB-CG 4.44Å; D457-R474 IonicContact OD2-CZ 3.04Å; D457-R474 IonicContact OD2-NE 3.08Å; D457-R474 IonicContact OD2-NH1 3.04Å; D457-R474 PolarHBondContact OD2-NH1 3.31Å; V459-R474 HydrophobicContact CG2-CB 4.41Å; V459-R474 HydrophobicContact CG2-CG 4.29Å; R474-S476 VanDerWaalsContact C-N 3.28Å; R474-S476 WeakPolarHBondContact CD-OG 3.18Å; R474-S476 WeakPolarHBondContact CG-OG 3.38Å; R474-S476 PolarHBondContact O-N 3.42Å; R474-G478 VanDerWaalsContact O-CA 3.32Å; R474-G478 WeakPolarHBondContact O-CA 3.43Å; R474-G478 PolarHBondContact O-N 2.84Å; R474-E479 PolarHBondContact N-O 2.76Å; R474-E479 IonicContact NH2-OE2 3.85Å; R474-E479 PolarHBondContact NH2-OE2 2.95Å
475L87.8Confident91.3Very high25 Ų2532.2 Ų32.213%0.13119%0.189CC..THydrogen-bonded Turntrans-72.4-20-172-65.4-175.2000113.9L428 V458 M460 N500 L501 A504L428-L475 HydrophobicContact CD2-CD2 4.13Å; V458-L475 HydrophobicContact CB-CD1 4.37Å; V458-L475 HydrophobicContact CG1-CD1 3.72Å; V458-L475 HydrophobicContact CG1-CG 4.37Å; V458-L475 PolarHBondContact O-N 3.36Å; M460-L475 HydrophobicContact CB-CD2 4.11Å; M460-L475 HydrophobicContact CE-CD2 3.7Å; L475-N500 HydrophobicContact CD1-CB 4Å; L475-L501 HydrophobicContact CD2-CD2 4.28Å; L475-A504 HydrophobicContact CB-CB 4.21Å
476S80.1Confident91.4Very high64 Ų6437.5 Ų37.545%0.44821%0.213SC..THydrogen-bonded Turntrans-73.7-35.1-176.9510000113.9R474R474-S476 VanDerWaalsContact C-N 3.28Å; R474-S476 WeakPolarHBondContact CD-OG 3.18Å; R474-S476 WeakPolarHBondContact CG-OG 3.38Å; R474-S476 PolarHBondContact O-N 3.42Å
477D78.1Confident91.4Very high54 Ų5434.3 Ų34.329%0.28919%0.186SC..THydrogen-bonded Turntrans-137-11-171.155.320000114.6E479D477-E479 WeakPolarHBondContact OD1-CB 3.28Å; D477-E479 PolarHBondContact OD1-N 2.92Å
478G84.5Confident91.5Very high47 Ų4732.1 Ų32.149%0.48518%0.175SC..  trans82.28.5-178.300000114.4V473 R474V473-G478 WeakPolarHBondContact CG1-O 3.43Å; R474-G478 VanDerWaalsContact O-CA 3.32Å; R474-G478 WeakPolarHBondContact O-CA 3.43Å; R474-G478 PolarHBondContact O-N 2.84Å
479E86.4Confident91.5Very high75 Ų7537.1 Ų37.135%0.3520%0.196SC..  trans-66.7137.9178-71.7-167.3164.400111.7L451 V473 R474 D477L451-E479 HydrophobicContact CD1-CB 3.75Å; V473-E479 CarbonylContact C-O 3.54Å; V473-E479 WeakPolarHBondContact CA-O 3.17Å; R474-E479 PolarHBondContact N-O 2.76Å; R474-E479 IonicContact NH2-OE2 3.85Å; R474-E479 PolarHBondContact NH2-OE2 2.95Å; D477-E479 WeakPolarHBondContact OD1-CB 3.28Å; D477-E479 PolarHBondContact OD1-N 2.92Å
480R89.9Confident91.4Very high89 Ų8938.6 Ų38.634%0.33620%0.203SC..EExtended strand (participates in β ladder)trans-115.6142.7-178.9-177.7172.5177.3-137.2-5111S417 E471 G472 V473S417-R480 PolarHBondContact OG-NH2 3.13Å; S417-R480 VanDerWaalsContact OG-NH2 3.12Å; E471-R480 IonicContact OE1-CZ 3.5Å; E471-R480 IonicContact OE1-NE 3.55Å; E471-R480 IonicContact OE1-NH2 3.13Å; E471-R480 PolarHBondContact OE1-NH2 2.8Å; E471-R480 IonicContact OE2-CZ 3.65Å; E471-R480 IonicContact OE2-NE 2.73Å; E471-R480 IonicContact OE2-NH2 2.73Å; E471-R480 PolarHBondContact OE2-NH2 3.41Å; G472-R480 WeakPolarHBondContact O-CA 3.29Å; G472-R480 WeakPolarHBondContact O-CG 3.47Å; V473-R480 HydrophobicContact CG2-CB 3.86Å; V473-R480 HydrophobicContact CG2-CG 3.86Å
481G92.9Very high91.2Very high6 Ų639.5 Ų39.56%0.06221%0.208CC..EExtended strand (participates in β ladder)trans175.2-173169.500000113D449 G472D449-G481 WeakPolarHBondContact O-CA 3.49Å; G472-G481 PolarHBondContact N-O 3.43Å; G472-G481 VanDerWaalsContact N-O 3.13Å; G472-G481 PolarHBondContact O-N 2.85Å; G472-G481 VanDerWaalsContact O-N 3.16Å
482W95.7Very high91Very high5 Ų544.1 Ų44.12%0.01924%0.241CC..EExtended strand (participates in β ladder)trans-96.9144.2-179.4-70.483.9000112.5L413 R414 D449 E450 L451 Q463 W469 L470 E471L413-W482 HydrophobicContact CB-CH2 3.56Å; L413-W482 HydrophobicContact CB-CZ2 4Å; L413-W482 HydrophobicContact CB-CZ3 4.44Å; L413-W482 HydrophobicContact CD1-CH2 4.34Å; R414-W482 HydrophobicContact CG-CB 4.4Å; R414-W482 HydrophobicContact CG-CD2 3.5Å; R414-W482 HydrophobicContact CG-CE3 4.01Å; R414-W482 HydrophobicContact CG-CG 3.67Å; R414-W482 HydrophobicContact CG-CZ2 4.19Å; D449-W482 PolarHBondContact O-N 3.46Å; E450-W482 CarbonylContact C-O 3.58Å; E450-W482 WeakPolarHBondContact CA-O 3.39Å; E450-W482 WeakPolarHBondContact CB-O 3.22Å; L451-W482 PolarHBondContact N-O 3.38Å; Q463-W482 HydrophobicContact CB-CH2 4.45Å; Q463-W482 HydrophobicContact CG-CH2 4.18Å; W469-W482 HydrophobicContact CB-CE3 4.04Å; W469-W482 HydrophobicContact CB-CZ3 4.32Å; W469-W482 HydrophobicContact CE3-CB 4.12Å; W469-W482 HydrophobicContact CZ3-CB 4.38Å; L470-W482 CarbonylContact O-C 3.59Å; L470-W482 VanDerWaalsContact O-CA 3.26Å; L470-W482 WeakPolarHBondContact O-CA 3.39Å; E471-W482 HydrophobicContact CB-CD2 3.79Å; E471-W482 HydrophobicContact CB-CE3 3.92Å; E471-W482 HydrophobicContact CB-CG 4.44Å; E471-W482 HydrophobicContact CB-CH2 3.91Å; E471-W482 HydrophobicContact CB-CZ2 3.77Å; E471-W482 HydrophobicContact CB-CZ3 3.99Å; E471-W482 HydrophobicContact CG-CD2 4.15Å; E471-W482 HydrophobicContact CG-CG 4.43Å; E471-W482 HydrophobicContact CG-CZ2 4.13Å; E471-W482 PolarHBondContact OE1-NE1 3.02Å
483F96.8Very high90.8Very high0 Ų047.6 Ų47.60%026%0.259CS..EExtended strand (participates in β ladder)trans-151.9152.7177.954.2-85.9000111.7V437 Y443 L451 L453 V459 L470 V488V437-F483 HydrophobicContact CG2-CE2 3.87Å; V437-F483 HydrophobicContact CG2-CZ 3.96Å; Y443-F483 HydrophobicContact CD1-CB 4.45Å; L451-F483 HydrophobicContact CB-CD1 4.16Å; L451-F483 HydrophobicContact CD2-CD1 4.08Å; L451-F483 HydrophobicContact CD2-CE1 4.23Å; L453-F483 HydrophobicContact CD1-CB 3.79Å; L453-F483 HydrophobicContact CD1-CD2 3.78Å; L453-F483 HydrophobicContact CD1-CG 3.8Å; L453-F483 HydrophobicContact CG-CB 4.44Å; V459-F483 HydrophobicContact CB-CE1 4.42Å; V459-F483 HydrophobicContact CB-CZ 4.08Å; V459-F483 HydrophobicContact CG1-CE1 3.59Å; V459-F483 HydrophobicContact CG1-CZ 3.61Å; L470-F483 HydrophobicContact CB-CD2 4.07Å; L470-F483 HydrophobicContact CB-CE1 4.26Å; L470-F483 HydrophobicContact CB-CE2 3.59Å; L470-F483 HydrophobicContact CB-CZ 3.69Å; L470-F483 HydrophobicContact CD1-CD2 4.45Å; L470-F483 HydrophobicContact CD1-CE2 3.69Å; L470-F483 HydrophobicContact CD1-CZ 4.29Å; L470-F483 HydrophobicContact CG-CE2 4.25Å; L470-F483 PolarHBondContact N-O 3.11Å; L470-F483 PolarHBondContact O-N 2.85Å; F483-V488 HydrophobicContact CD2-CG1 3.91Å; F483-V488 HydrophobicContact CE2-CG1 3.87Å; F483-V488 HydrophobicContact CE2-CG2 4.1Å
484P96.3Very high90.6Very high9 Ų950.9 Ų50.96%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-73.6137-179.716-17.1000112.4Y443 Q486 Q487Y443-P484 HydrophobicContact CD2-CG 3.73Å; Y443-P484 HydrophobicContact CE1-CG 4.42Å; Y443-P484 HydrophobicContact CE2-CG 3.4Å; Y443-P484 VanDerWaalsContact CE2-CG 3.4Å; Y443-P484 HydrophobicContact CG-CG 4.36Å; P484-Q486 PolarHBondContact O-N 2.82Å; P484-Q486 VanDerWaalsContact O-N 3.13Å; P484-Q487 HydrophobicContact CB-CG 4.45Å; P484-Q487 HydrophobicContact CG-CG 3.82Å; P484-Q487 PolarHBondContact O-N 3.38Å
485V95.6Very high90.3Very high38 Ų3857.3 Ų57.323%0.2331%0.312CS..G310 helixtrans-59.2-27.4178.872.40000112.5G468 L470 Q487 V488 F490G468-V485 WeakPolarHBondContact O-CB 3.17Å; G468-V485 VanDerWaalsContact O-CG1 3.24Å; G468-V485 WeakPolarHBondContact O-CG1 3.49Å; G468-V485 PolarHBondContact O-N 3.48Å; L470-V485 HydrophobicContact CD1-CB 4.28Å; L470-V485 HydrophobicContact CD1-CG2 4.05Å; L470-V485 HydrophobicContact CG-CB 4.32Å; L470-V485 HydrophobicContact CG-CG2 4.44Å; V485-Q487 PolarHBondContact O-N 3.23Å; V485-Q487 VanDerWaalsContact O-N 3.14Å; V485-V488 WeakPolarHBondContact O-CG2 3.3Å; V485-V488 PolarHBondContact O-N 3.48Å; V485-V488 VanDerWaalsContact O-O 3.1Å; V485-F490 HydrophobicContact CG2-CE2 4.35Å
486Q94Very high90.2Very high114 Ų11459 Ų5953%0.53332%0.323SS..G310 helixtrans-68.1-13.9-177.1-57.384.63.100113.7R441 P484R441-Q486 PolarHBondContact NH2-O 2.92Å; P484-Q486 PolarHBondContact O-N 2.82Å; P484-Q486 VanDerWaalsContact O-N 3.13Å
487Q91.6Very high90.6Very high39 Ų3958.4 Ų58.418%0.18231%0.311CS..G310 helixtrans-91.7-9-179.9-53.7-57.5-19.300113.1L440 R441 Y443 P484 V485L440-Q487 PolarHBondContact N-O 3.15Å; R441-Q487 PolarHBondContact N-O 3.47Å; Y443-Q487 HydrophobicContact CD2-CG 3.96Å; Y443-Q487 HydrophobicContact CG-CG 4.34Å; P484-Q487 HydrophobicContact CB-CG 4.45Å; P484-Q487 HydrophobicContact CG-CG 3.82Å; P484-Q487 PolarHBondContact O-N 3.38Å; V485-Q487 PolarHBondContact O-N 3.23Å; V485-Q487 VanDerWaalsContact O-N 3.14Å
488V94.4Very high91Very high14 Ų1458.6 Ų58.69%0.08532%0.32CS..EExtended strand (participates in β ladder)trans-132163.1-169.4-53.70000112V437 Q438 C439 L453 L470 F483 V485V437-V488 HydrophobicContact CB-CB 3.93Å; V437-V488 HydrophobicContact CB-CG2 3.88Å; V437-V488 HydrophobicContact CG1-CG2 4.08Å; V437-V488 HydrophobicContact CG2-CB 4.05Å; V437-V488 HydrophobicContact CG2-CG1 4.24Å; V437-V488 HydrophobicContact CG2-CG2 4Å; Q438-V488 CarbonylContact O-C 3.53Å; Q438-V488 VanDerWaalsContact O-CA 3.25Å; Q438-V488 WeakPolarHBondContact O-CA 3.47Å; Q438-V488 WeakPolarHBondContact O-CB 3.27Å; C439-V488 HydrophobicContact CB-CG1 4.5Å; L453-V488 HydrophobicContact CD1-CG1 3.86Å; L470-V488 HydrophobicContact CD1-CG2 3.75Å; F483-V488 HydrophobicContact CD2-CG1 3.91Å; F483-V488 HydrophobicContact CE2-CG1 3.87Å; F483-V488 HydrophobicContact CE2-CG2 4.1Å; V485-V488 WeakPolarHBondContact O-CG2 3.3Å; V485-V488 PolarHBondContact O-N 3.48Å; V485-V488 VanDerWaalsContact O-O 3.1Å
489E94.7Very high91Very high117 Ų11760.6 Ų60.655%0.54732%0.317SS..EExtended strand (participates in β ladder)trans-129.2143.5172.6-179.2168.3-156.800110.7V437 Q438 L440V437-E489 CarbonylContact C-O 3.51Å; V437-E489 WeakPolarHBondContact CA-O 3.49Å; V437-E489 WeakPolarHBondContact CB-O 3.49Å; Q438-E489 PolarHBondContact N-O 2.9Å; Q438-E489 PolarHBondContact O-N 2.97Å; L440-E489 HydrophobicContact CD1-CB 3.89Å; L440-E489 HydrophobicContact CD2-CB 4.28Å; L440-E489 HydrophobicContact CG-CB 4.1Å
490F94.9Very high91Very high80 Ų8058.6 Ų58.635%0.35131%0.309SS..EExtended strand (participates in β ladder)trans-75.3128.6-179.9-77.6-89.3000111.9P435 V437 V461 L470 V485 S492P435-F490 HydrophobicContact CB-CD1 4.4Å; P435-F490 HydrophobicContact CB-CE1 4.24Å; V437-F490 HydrophobicContact CG1-CD1 3.55Å; V437-F490 HydrophobicContact CG1-CD2 4.22Å; V437-F490 HydrophobicContact CG1-CE1 3.65Å; V437-F490 HydrophobicContact CG1-CE2 4.3Å; V437-F490 HydrophobicContact CG1-CG 3.87Å; V437-F490 HydrophobicContact CG1-CZ 4.04Å; V461-F490 HydrophobicContact CG2-CE1 4.38Å; L470-F490 HydrophobicContact CD1-CZ 4.29Å; L470-F490 HydrophobicContact CD2-CZ 4.32Å; V485-F490 HydrophobicContact CG2-CE2 4.35Å; F490-S492 PolarHBondContact O-N 3.35Å
491I91.6Very high90.9Very high19 Ų1955.1 Ų55.110%0.09730%0.297CS..  trans-76.499.4173.8-54.5-179.8000108.2Q436 Q438 V458 V496 R497Q436-I491 HydrophobicContact CB-CB 4.31Å; Q436-I491 HydrophobicContact CB-CD1 4.01Å; Q436-I491 HydrophobicContact CB-CG1 4.4Å; Q436-I491 PolarHBondContact O-N 3.36Å; Q438-I491 HydrophobicContact CB-CD1 4.21Å; Q438-I491 HydrophobicContact CB-CG1 4.16Å; V458-I491 HydrophobicContact CG1-CD1 3.92Å; V458-I491 HydrophobicContact CG2-CD1 4.44Å; I491-V496 HydrophobicContact CG2-CB 3.98Å; I491-V496 HydrophobicContact CG2-CG1 3.72Å; I491-R497 HydrophobicContact CB-CG 4.12Å; I491-R497 HydrophobicContact CG2-CG 3.78Å; I491-R497 PolarHBondContact O-NH1 3.25Å
492S90.3Very high90.5Very high101 Ų10161.8 Ų61.871%0.70632%0.324SS*.  trans-74.7-35-175.9-63.90000112.4F490 P494 R497F490-S492 PolarHBondContact O-N 3.35Å; S492-P494 VanDerWaalsContact O-CD 3.29Å; S492-P494 WeakPolarHBondContact O-CD 3.2Å; S492-R497 PolarHBondContact O-NH1 3.24Å
493N88.8Confident89.8Confident73 Ų7365.7 Ų65.739%0.3934%0.342SS..  trans-72.1116.1-175.9-173.3-25.6000111.7E495 V496 R497N493-E495 VanDerWaalsContact C-N 3.32Å; N493-E495 PolarHBondContact O-N 2.96Å; N493-E495 WeakPolarHBondContact OD1-CB 3.49Å; N493-E495 PolarHBondContact OD1-N 3.17Å; N493-V496 HydrophobicContact CB-CB 4.13Å; N493-V496 HydrophobicContact CB-CG2 3.81Å; N493-V496 PolarHBondContact O-N 2.86Å; N493-R497 PolarHBondContact O-N 3Å; N493-R497 VanDerWaalsContact O-N 3.16Å
494P86.8Confident89.1Confident83 Ų8366.4 Ų66.454%0.53935%0.348SS..Hα-helixtrans-62.3-33.3178.8-21.533.8000114.3S492 R497 A498S492-P494 VanDerWaalsContact O-CD 3.29Å; S492-P494 WeakPolarHBondContact O-CD 3.2Å; P494-R497 PolarHBondContact O-N 3.05Å; P494-A498 WeakPolarHBondContact O-CB 3.05Å; P494-A498 PolarHBondContact O-N 3.15Å
495E86Confident88.5Confident152 Ų15268.8 Ų68.871%0.7136%0.358SS*.Hα-helixtrans-67.4-41.5179.5-61.9177.9172.900110.9N493 R497 A498 Q499N493-E495 VanDerWaalsContact C-N 3.32Å; N493-E495 PolarHBondContact O-N 2.96Å; N493-E495 WeakPolarHBondContact OD1-CB 3.49Å; N493-E495 PolarHBondContact OD1-N 3.17Å; E495-R497 VanDerWaalsContact C-N 3.34Å; E495-A498 PolarHBondContact O-N 2.93Å; E495-Q499 WeakPolarHBondContact O-CB 3.4Å; E495-Q499 PolarHBondContact O-N 3.39Å
496V85.1Confident87.8Confident61 Ų6172.4 Ų72.437%0.3737%0.368SS..Hα-helixtrans-62.4-43.9174.1177.60000110.3I491 N493 A498 Q499 N500I491-V496 HydrophobicContact CG2-CB 3.98Å; I491-V496 HydrophobicContact CG2-CG1 3.72Å; N493-V496 HydrophobicContact CB-CB 4.13Å; N493-V496 HydrophobicContact CB-CG2 3.81Å; N493-V496 PolarHBondContact O-N 2.86Å; V496-A498 VanDerWaalsContact C-N 3.33Å; V496-A498 PolarHBondContact O-N 3.23Å; V496-Q499 PolarHBondContact O-N 3.01Å; V496-N500 PolarHBondContact O-N 3.16Å; V496-N500 PolarHBondContact O-ND2 3.33Å
497R89.1Confident86.9Confident51 Ų5169.2 Ų69.219%0.19236%0.356CS..Hα-helixtrans-60-42.7175.9-68.9-158.9-57.1-100.60.2112.4Q436 I491 S492 N493 P494 E495 L501Q436-R497 HydrophobicContact CB-CG 4.09Å; Q436-R497 HydrophobicContact CG-CG 4.15Å; Q436-R497 PolarHBondContact NE2-O 3.33Å; I491-R497 HydrophobicContact CB-CG 4.12Å; I491-R497 HydrophobicContact CG2-CG 3.78Å; I491-R497 PolarHBondContact O-NH1 3.25Å; S492-R497 PolarHBondContact O-NH1 3.24Å; N493-R497 PolarHBondContact O-N 3Å; N493-R497 VanDerWaalsContact O-N 3.16Å; P494-R497 PolarHBondContact O-N 3.05Å; E495-R497 VanDerWaalsContact C-N 3.34Å; R497-L501 WeakPolarHBondContact O-CG 3.3Å; R497-L501 PolarHBondContact O-N 2.83Å
498A86.4Confident86.3Confident58 Ų5870.3 Ų70.348%0.47936%0.36SS..Hα-helixtrans-66.2-40.8177.600000111.9P494 E495 V496 L501 K502P494-A498 WeakPolarHBondContact O-CB 3.05Å; P494-A498 PolarHBondContact O-N 3.15Å; E495-A498 PolarHBondContact O-N 2.93Å; V496-A498 VanDerWaalsContact C-N 3.33Å; V496-A498 PolarHBondContact O-N 3.23Å; A498-L501 PolarHBondContact O-N 3.3Å; A498-K502 WeakPolarHBondContact O-CB 3.37Å; A498-K502 PolarHBondContact O-N 2.89Å
499Q84.4Confident85.6Confident89 Ų8971.8 Ų71.842%0.41637%0.369SS..Hα-helixtrans-63.6-45.1177.1-176.761.91700111.6E495 V496 L501 K502 E503E495-Q499 WeakPolarHBondContact O-CB 3.4Å; E495-Q499 PolarHBondContact O-N 3.39Å; V496-Q499 PolarHBondContact O-N 3.01Å; Q499-L501 VanDerWaalsContact C-N 3.31Å; Q499-L501 PolarHBondContact O-N 2.93Å; Q499-K502 PolarHBondContact O-N 3.19Å; Q499-K502 VanDerWaalsContact O-N 3.15Å; Q499-E503 PolarHBondContact NE2-OE1 2.75Å; Q499-E503 WeakPolarHBondContact O-CG 3.32Å; Q499-E503 PolarHBondContact O-N 3.08Å
500N86.8Confident84.7Confident33 Ų3367.1 Ų67.118%0.17635%0.351CS..Hα-helixtrans-57-44.4176.2-69.1-20.5000111.9Q436 V458 L475 V496 E503 A504Q436-N500 PolarHBondContact OE1-ND2 2.81Å; V458-N500 HydrophobicContact CG1-CB 4.48Å; L475-N500 HydrophobicContact CD1-CB 4Å; V496-N500 PolarHBondContact O-N 3.16Å; V496-N500 PolarHBondContact O-ND2 3.33Å; N500-E503 PolarHBondContact O-N 3.15Å; N500-A504 WeakPolarHBondContact O-CB 3.47Å; N500-A504 PolarHBondContact O-N 2.94Å
501L86Confident83.7Confident16 Ų1665.1 Ų65.18%0.08434%0.342CS..Hα-helixtrans-65.1-42.8176.7-72.7170.3000111.8L428 M460 L475 R497 A498 Q499 E503 A504 H505L428-L501 HydrophobicContact CD2-CD2 4.4Å; M460-L501 HydrophobicContact CE-CD2 3.75Å; L475-L501 HydrophobicContact CD2-CD2 4.28Å; R497-L501 WeakPolarHBondContact O-CG 3.3Å; R497-L501 PolarHBondContact O-N 2.83Å; A498-L501 PolarHBondContact O-N 3.3Å; Q499-L501 VanDerWaalsContact C-N 3.31Å; Q499-L501 PolarHBondContact O-N 2.93Å; L501-E503 VanDerWaalsContact C-N 3.34Å; L501-E503 PolarHBondContact O-N 3.13Å; L501-A504 PolarHBondContact O-N 3.13Å; L501-H505 VanDerWaalsContact O-CB 3.25Å; L501-H505 WeakPolarHBondContact O-CB 3.47Å; L501-H505 PolarHBondContact O-N 2.88Å
502K84.4Confident83Confident146 Ų14668.7 Ų68.764%0.63536%0.361SS*.Hα-helixtrans-62.3-41.8178.1-174.6-179.7179.3-178.30111.8A498 Q499 H505 R506A498-K502 WeakPolarHBondContact O-CB 3.37Å; A498-K502 PolarHBondContact O-N 2.89Å; Q499-K502 PolarHBondContact O-N 3.19Å; Q499-K502 VanDerWaalsContact O-N 3.15Å; K502-H505 PolarHBondContact O-N 2.88Å; K502-R506 WeakPolarHBondContact O-CB 3.39Å; K502-R506 PolarHBondContact O-N 2.87Å
503E81.8Confident82.3Confident87 Ų8768.8 Ų68.841%0.40735%0.35SS..Hα-helixtrans-66.3-47.2176.7-72.7-176-167.100111.7Q499 N500 L501 H505 R506 V507Q499-E503 PolarHBondContact NE2-OE1 2.75Å; Q499-E503 WeakPolarHBondContact O-CG 3.32Å; Q499-E503 PolarHBondContact O-N 3.08Å; N500-E503 PolarHBondContact O-N 3.15Å; L501-E503 VanDerWaalsContact C-N 3.34Å; L501-E503 PolarHBondContact O-N 3.13Å; E503-H505 VanDerWaalsContact C-N 3.3Å; E503-H505 PolarHBondContact O-N 2.88Å; E503-R506 PolarHBondContact O-N 2.8Å; E503-V507 WeakPolarHBondContact O-CG2 3.33Å; E503-V507 PolarHBondContact O-N 3.27Å
504A82Confident81.4Confident14 Ų1465.9 Ų65.912%0.11633%0.334CS..Hα-helixtrans-58.9-43.1175.500000111.4L428 L475 N500 L501 V507 K508L428-A504 HydrophobicContact CD1-CB 4.08Å; L475-A504 HydrophobicContact CB-CB 4.21Å; N500-A504 WeakPolarHBondContact O-CB 3.47Å; N500-A504 PolarHBondContact O-N 2.94Å; L501-A504 PolarHBondContact O-N 3.13Å; A504-V507 PolarHBondContact O-N 2.77Å; A504-K508 WeakPolarHBondContact O-CB 3.49Å; A504-K508 PolarHBondContact O-N 2.97Å
505H83.3Confident80.6Confident60 Ų6065.6 Ų65.628%0.27833%0.331SS..Hα-helixtrans-65.1-45.5176.6-172.4-82.2000112L501 K502 E503 V507 K508 T509L501-H505 VanDerWaalsContact O-CB 3.25Å; L501-H505 WeakPolarHBondContact O-CB 3.47Å; L501-H505 PolarHBondContact O-N 2.88Å; K502-H505 PolarHBondContact O-N 2.88Å; E503-H505 VanDerWaalsContact C-N 3.3Å; E503-H505 PolarHBondContact O-N 2.88Å; H505-V507 VanDerWaalsContact C-N 3.29Å; H505-V507 PolarHBondContact O-N 3.48Å; H505-K508 CarbonylContact O-C 3.56Å; H505-K508 PolarHBondContact O-N 2.97Å; H505-K508 VanDerWaalsContact O-N 3.07Å; H505-T509 PolarHBondContact CE1-OG1 2.98Å; H505-T509 PolarHBondContact ND1-OG1 3.07Å; H505-T509 PolarHBondContact O-N 2.87Å; H505-T509 PolarHBondContact O-OG1 2.9Å
506R80.7Confident79.7Confident113 Ų11365.1 Ų65.143%0.42633%0.329SS..Hα-helixtrans-55.8-46.4176.9-178.8-177.7175.2-166.7-2.8111.1E260 K502 E503 K508 T509 A510E260-R506 IonicContact OE1-NH2 2.67Å; E260-R506 PolarHBondContact OE1-NH2 2.93Å; K502-R506 WeakPolarHBondContact O-CB 3.39Å; K502-R506 PolarHBondContact O-N 2.87Å; E503-R506 PolarHBondContact O-N 2.8Å; R506-K508 VanDerWaalsContact C-N 3.34Å; R506-T509 PolarHBondContact O-N 2.91Å; R506-A510 WeakPolarHBondContact O-CB 3.41Å; R506-A510 PolarHBondContact O-N 3.27Å
507V75.8Confident78.4Confident47 Ų4768.8 Ų68.829%0.28534%0.342SS..Hα-helixtrans-64.3-40.6177.6174.60000110.9E503 A504 H505 K511E503-V507 WeakPolarHBondContact O-CG2 3.33Å; E503-V507 PolarHBondContact O-N 3.27Å; A504-V507 PolarHBondContact O-N 2.77Å; H505-V507 VanDerWaalsContact C-N 3.29Å; H505-V507 PolarHBondContact O-N 3.48Å; V507-K511 HydrophobicContact CG1-CD 4.33Å; V507-K511 VanDerWaalsContact CG1-CE 3.48Å; V507-K511 WeakPolarHBondContact O-CD 3.49Å; V507-K511 VanDerWaalsContact O-CG 3.25Å; V507-K511 WeakPolarHBondContact O-CG 3.5Å; V507-K511 PolarHBondContact O-N 3.4Å
508K79.5Confident76.5Confident63 Ų6373.2 Ų73.227%0.27437%0.365SS..Hα-helixtrans-63.8-47.7176.1-169.7175.9-175.9175.10111.9E425 A504 H505 R506 K511 L512E425-K508 WeakPolarHBondContact OE2-CE 3.38Å; E425-K508 IonicContact OE2-NZ 2.76Å; E425-K508 PolarHBondContact OE2-NZ 2.89Å; A504-K508 WeakPolarHBondContact O-CB 3.49Å; A504-K508 PolarHBondContact O-N 2.97Å; H505-K508 CarbonylContact O-C 3.56Å; H505-K508 PolarHBondContact O-N 2.97Å; H505-K508 VanDerWaalsContact O-N 3.07Å; R506-K508 VanDerWaalsContact C-N 3.34Å; K508-K511 WeakPolarHBondContact O-CB 3.49Å; K508-K511 PolarHBondContact O-N 2.94Å; K508-L512 HydrophobicContact CG-CD1 4.33Å; K508-L512 WeakPolarHBondContact O-CG 3.34Å; K508-L512 PolarHBondContact O-N 2.58Å
509T79.7Confident74.5Confident44 Ų4477 Ų7727%0.2740%0.395SS..Hα-helixtrans-64.2-45.2179.9-52.80000112.1H505 R506 K511 L512 Q513H505-T509 PolarHBondContact CE1-OG1 2.98Å; H505-T509 PolarHBondContact ND1-OG1 3.07Å; H505-T509 PolarHBondContact O-N 2.87Å; H505-T509 PolarHBondContact O-OG1 2.9Å; R506-T509 PolarHBondContact O-N 2.91Å; T509-K511 PolarHBondContact O-N 3.21Å; T509-L512 PolarHBondContact O-N 3.41Å; T509-L512 VanDerWaalsContact O-N 3.12Å; T509-Q513 HydrophobicContact CG2-CG 4.42Å; T509-Q513 WeakPolarHBondContact O-CG 3.3Å; T509-Q513 PolarHBondContact O-N 3.19Å
510A75.3Confident74Confident20 Ų2076.4 Ų76.417%0.16539%0.394CS..Hα-helixtrans-59-36.2177.300000111.5T264 R506 L514T264-A510 HydrophobicContact CG2-CB 3.89Å; R506-A510 WeakPolarHBondContact O-CB 3.41Å; R506-A510 PolarHBondContact O-N 3.27Å; A510-L514 WeakPolarHBondContact O-CG 3.22Å; A510-L514 PolarHBondContact O-N 3.17Å
511K73.3Confident73.4Confident37 Ų3778.6 Ų78.616%0.16141%0.406CS..Hα-helixtrans-68.3-44.9173.5-70.1170.1-172.9-1790112.6E271 V507 K508 T509 Q513 L514 V515E271-K511 IonicContact OE1-NZ 3.17Å; E271-K511 PolarHBondContact OE1-NZ 2.8Å; E271-K511 WeakPolarHBondContact OE2-CE 3.48Å; E271-K511 IonicContact OE2-NZ 2.73Å; E271-K511 PolarHBondContact OE2-NZ 3.17Å; V507-K511 HydrophobicContact CG1-CD 4.33Å; V507-K511 VanDerWaalsContact CG1-CE 3.48Å; V507-K511 WeakPolarHBondContact O-CD 3.49Å; V507-K511 VanDerWaalsContact O-CG 3.25Å; V507-K511 WeakPolarHBondContact O-CG 3.5Å; V507-K511 PolarHBondContact O-N 3.4Å; K508-K511 WeakPolarHBondContact O-CB 3.49Å; K508-K511 PolarHBondContact O-N 2.94Å; T509-K511 PolarHBondContact O-N 3.21Å; K511-Q513 PolarHBondContact O-N 2.98Å; K511-L514 WeakPolarHBondContact O-CB 3.48Å; K511-L514 PolarHBondContact O-N 2.83Å; K511-V515 PolarHBondContact O-N 2.95Å; K511-V515 VanDerWaalsContact O-N 3.15Å
512L77.6Confident72.6Confident94 Ų9482.1 Ų82.149%0.49242%0.424SS..Hα-helixtrans-61.7-43.5179.7-72.5169.9000111.7K508 T509 L514 V515 E516K508-L512 HydrophobicContact CG-CD1 4.33Å; K508-L512 WeakPolarHBondContact O-CG 3.34Å; K508-L512 PolarHBondContact O-N 2.58Å; T509-L512 PolarHBondContact O-N 3.41Å; T509-L512 VanDerWaalsContact O-N 3.12Å; L512-L514 VanDerWaalsContact C-N 3.25Å; L512-L514 PolarHBondContact O-N 3.31Å; L512-V515 PolarHBondContact O-N 3.49Å; L512-V515 VanDerWaalsContact O-N 3.07Å; L512-E516 PolarHBondContact O-N 3.24Å
513Q75.9Confident72Confident104 Ų10478.4 Ų78.449%0.48641%0.411SS..Hα-helixtrans-60.6-33.9175.9-71.9176-14.800112.6T509 K511 Q517T509-Q513 HydrophobicContact CG2-CG 4.42Å; T509-Q513 WeakPolarHBondContact O-CG 3.3Å; T509-Q513 PolarHBondContact O-N 3.19Å; K511-Q513 PolarHBondContact O-N 2.98Å; Q513-Q517 WeakPolarHBondContact O-CG 3.43Å; Q513-Q517 PolarHBondContact O-N 2.91Å; Q513-Q517 VanDerWaalsContact O-N 3.16Å
514L70.3Confident71.3Confident12 Ų1277.8 Ų77.86%0.06341%0.412CS..Hα-helixtrans-67.8-40.1173.3-74.5178.7000112.7T264 K265 A510 K511 L512 Q517 Q518T264-L514 HydrophobicContact CG2-CD1 3.34Å; T264-L514 HydrophobicContact CG2-CG 4.1Å; K265-L514 HydrophobicContact CD-CD2 4.26Å; K265-L514 HydrophobicContact CG-CD1 3.99Å; K265-L514 HydrophobicContact CG-CD2 3.51Å; K265-L514 HydrophobicContact CG-CG 4.41Å; A510-L514 WeakPolarHBondContact O-CG 3.22Å; A510-L514 PolarHBondContact O-N 3.17Å; K511-L514 WeakPolarHBondContact O-CB 3.48Å; K511-L514 PolarHBondContact O-N 2.83Å; L512-L514 VanDerWaalsContact C-N 3.25Å; L512-L514 PolarHBondContact O-N 3.31Å; L514-Q517 PolarHBondContact O-N 3.3Å; L514-Q518 WeakPolarHBondContact O-CG 3.5Å; L514-Q518 PolarHBondContact O-N 2.78Å
515V68.2Low70.6Confident76 Ų7682.1 Ų82.146%0.46143%0.431SS..Hα-helixtrans-66.9-41.6178.9175.60000110.5K511 L512 Q517 Q518 A519K511-V515 PolarHBondContact O-N 2.95Å; K511-V515 VanDerWaalsContact O-N 3.15Å; L512-V515 PolarHBondContact O-N 3.49Å; L512-V515 VanDerWaalsContact O-N 3.07Å; V515-Q517 VanDerWaalsContact C-N 3.28Å; V515-Q517 PolarHBondContact O-N 3.41Å; V515-Q518 PolarHBondContact O-N 3.26Å; V515-Q518 VanDerWaalsContact O-N 3.13Å; V515-A519 PolarHBondContact O-N 3.16Å; V515-A519 VanDerWaalsContact O-N 3.14Å
516E67.6Low69.7Low143 Ų14383.6 Ų83.667%0.66844%0.442SS*.Hα-helixtrans-65.1-29.6175.9-71.2177.4167.800113.1L512 Q518L512-E516 PolarHBondContact O-N 3.24Å; E516-Q518 VanDerWaalsContact C-N 3.3Å
517Q57.8Low68.9Low137 Ų13781.4 Ų81.464%0.6444%0.444SS*.THydrogen-bonded Turntrans-78.8-12.7174.8-73.5173.113.700113.7Q513 L514 V515Q513-Q517 WeakPolarHBondContact O-CG 3.43Å; Q513-Q517 PolarHBondContact O-N 2.91Å; Q513-Q517 VanDerWaalsContact O-N 3.16Å; L514-Q517 PolarHBondContact O-N 3.3Å; V515-Q517 VanDerWaalsContact C-N 3.28Å; V515-Q517 PolarHBondContact O-N 3.41Å
518Q50.6Low68.3Low145 Ų14584.3 Ų84.368%0.67846%0.457SS*.THydrogen-bonded Turntrans-104.2-11.8179.5-71.8179.9-11.400113.4L514 V515 E516L514-Q518 WeakPolarHBondContact O-CG 3.5Å; L514-Q518 PolarHBondContact O-N 2.78Å; V515-Q518 PolarHBondContact O-N 3.26Å; V515-Q518 VanDerWaalsContact O-N 3.13Å; E516-Q518 VanDerWaalsContact C-N 3.3Å
519A43.9Very low67.3Low136 Ų13686.2 Ų86.2100%1.12447%0.473SS*.  trans-900172.600000110.6V515V515-A519 PolarHBondContact O-N 3.16Å; V515-A519 VanDerWaalsContact O-N 3.14Å

Retrieved 519 of 519 residues in 100.2 ms (Link to these results)

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