A0A096MQY8_PAPAN Loading...

Signal transducer and activator of transcription

AlphaFold DB (A0A7N9CJU4), UniProt , Accession A0A096MQY8, Species PAPAN (Papio anubis, Olive baboon), Gene STAT1, Length 750 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M62.4Low86.1Confident185 Ų18569.1 Ų69.191%0.91133%0.33SS*.  0150.50-81.2175.7-82.100107.1Y5M1-Y5 HydrophobicContact CB-CD1 4.38Å; M1-Y5 HydrophobicContact CG-CD1 4.2Å; M1-Y5 HydrophobicContact SD-CD1 3.68Å; M1-Y5 HydrophobicContact SD-CE1 3.68Å
2S89.3Confident85.3Confident22 Ų2271.3 Ų71.315%0.15436%0.358CS..  trans-74151.4174.549.40000110.3W4 Y5 E6 E39S2-W4 PolarHBondContact O-N 3.19Å; S2-Y5 WeakPolarHBondContact O-CB 3.31Å; S2-Y5 PolarHBondContact O-N 3.43Å; S2-Y5 PolarHBondContact OG-N 3.24Å; S2-E6 PolarHBondContact O-N 3.18Å; S2-E39 VanDerWaalsContact CA-OE2 3.23Å; S2-E39 WeakPolarHBondContact CA-OE2 3.47Å; S2-E39 VanDerWaalsContact CB-OE2 3.22Å; S2-E39 WeakPolarHBondContact CB-OE2 3.48Å
3Q92Very high84.6Confident23 Ų2375.8 Ų75.811%0.10737%0.374CS..Hα-helixtrans-53.9-37.4171.5-177.7-175.91.300110.7Y5 E6 L7 E39 L109 L116Q3-Y5 VanDerWaalsContact C-N 3.32Å; Q3-Y5 PolarHBondContact O-N 2.9Å; Q3-E6 PolarHBondContact O-N 2.97Å; Q3-L7 WeakPolarHBondContact O-CG 3.14Å; Q3-L7 PolarHBondContact O-N 3.38Å; Q3-E39 HydrophobicContact CB-CG 4.23Å; Q3-E39 PolarHBondContact N-OE1 3.27Å; Q3-E39 PolarHBondContact N-OE2 3.1Å; Q3-L109 PolarHBondContact NE2-O 2.99Å; Q3-L116 HydrophobicContact CG-CD1 3.74Å
4W93.4Very high84.5Confident12 Ų1271.4 Ų71.45%0.04535%0.352CS..Hα-helixtrans-58-41.1175.8-167.3-117.1000113.7S2 L7 Q8 V18 Y22 M28 R31 Q32 A35 E39 E112S2-W4 PolarHBondContact O-N 3.19Å; W4-L7 HydrophobicContact CE3-CD1 4.03Å; W4-L7 HydrophobicContact CZ3-CD1 4.37Å; W4-L7 PolarHBondContact O-N 3.11Å; W4-Q8 WeakPolarHBondContact O-CG 3.39Å; W4-Q8 PolarHBondContact O-N 3.39Å; W4-V18 HydrophobicContact CH2-CG1 4.19Å; W4-V18 HydrophobicContact CZ3-CG1 3.97Å; W4-Y22 HydrophobicContact CH2-CE2 4.07Å; W4-Y22 AromaticContact CZ3-CE2 3.82Å; W4-Y22 HydrophobicContact CZ3-CE2 3.82Å; W4-M28 HydrophobicContact CH2-CE 3.39Å; W4-M28 HydrophobicContact CH2-CG 3.65Å; W4-M28 HydrophobicContact CH2-SD 4.26Å; W4-M28 HydrophobicContact CZ2-CE 3.45Å; W4-M28 VanDerWaalsContact CZ2-CE 3.45Å; W4-M28 HydrophobicContact CZ2-CG 3.9Å; W4-M28 HydrophobicContact CZ2-SD 4.5Å; W4-R31 HydrophobicContact CD2-CG 4.25Å; W4-R31 HydrophobicContact CE3-CG 3.7Å; W4-R31 HydrophobicContact CH2-CG 3.91Å; W4-R31 HydrophobicContact CZ2-CG 4.44Å; W4-R31 HydrophobicContact CZ3-CG 3.53Å; W4-Q32 HydrophobicContact CZ2-CB 4.01Å; W4-A35 HydrophobicContact CB-CB 3.78Å; W4-A35 HydrophobicContact CG-CB 4.22Å; W4-E39 PolarHBondContact N-OE1 2.74Å; W4-E39 VanDerWaalsContact N-OE1 3.12Å; W4-E112 VanDerWaalsContact CZ3-OE1 3.25Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.3Å
5Y91.4Very high84.4Confident106 Ų10670 Ų7042%0.41635%0.346SS..Hα-helixtrans-68-40179-178-94.8000111.1M1 S2 Q3 L7 Q8 Q9M1-Y5 HydrophobicContact CB-CD1 4.38Å; M1-Y5 HydrophobicContact CG-CD1 4.2Å; M1-Y5 HydrophobicContact SD-CD1 3.68Å; M1-Y5 HydrophobicContact SD-CE1 3.68Å; S2-Y5 WeakPolarHBondContact O-CB 3.31Å; S2-Y5 PolarHBondContact O-N 3.43Å; S2-Y5 PolarHBondContact OG-N 3.24Å; Q3-Y5 VanDerWaalsContact C-N 3.32Å; Q3-Y5 PolarHBondContact O-N 2.9Å; Y5-L7 VanDerWaalsContact C-N 3.33Å; Y5-L7 PolarHBondContact O-N 3.44Å; Y5-Q8 WeakPolarHBondContact O-CB 3.44Å; Y5-Q8 PolarHBondContact O-N 3.44Å; Y5-Q9 HydrophobicContact CD1-CG 4.36Å; Y5-Q9 HydrophobicContact CE1-CG 4Å; Y5-Q9 WeakPolarHBondContact O-CG 3.16Å; Y5-Q9 PolarHBondContact O-N 2.85Å
6E90.2Very high84.1Confident86 Ų8672.1 Ų72.140%0.40236%0.355SS..Hα-helixtrans-62.9-39.7178-66.1175.8-177.200111.9S2 Q3 Q8 Q9 L116S2-E6 PolarHBondContact O-N 3.18Å; Q3-E6 PolarHBondContact O-N 2.97Å; E6-Q8 VanDerWaalsContact C-N 3.33Å; E6-Q8 PolarHBondContact O-N 3.18Å; E6-Q9 PolarHBondContact O-N 2.93Å; E6-L116 HydrophobicContact CB-CD2 4.01Å
7L90.4Very high83.9Confident2 Ų272.7 Ų72.71%0.0136%0.357CS..Hα-helixtrans-60.6-41.7173.5-72166.2000112.1Q3 W4 Y5 Q9 L10 L15 V18 E112 I115 L116Q3-L7 WeakPolarHBondContact O-CG 3.14Å; Q3-L7 PolarHBondContact O-N 3.38Å; W4-L7 HydrophobicContact CE3-CD1 4.03Å; W4-L7 HydrophobicContact CZ3-CD1 4.37Å; W4-L7 PolarHBondContact O-N 3.11Å; Y5-L7 VanDerWaalsContact C-N 3.33Å; Y5-L7 PolarHBondContact O-N 3.44Å; L7-Q9 PolarHBondContact O-N 3.24Å; L7-L10 HydrophobicContact CD2-CD1 4.05Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 WeakPolarHBondContact O-CG 3.48Å; L7-L10 PolarHBondContact O-N 3.44Å; L7-L10 VanDerWaalsContact O-N 3.07Å; L7-L15 WeakPolarHBondContact O-CD2 3.47Å; L7-V18 HydrophobicContact CD1-CG2 4.44Å; L7-V18 HydrophobicContact CD2-CG2 3.84Å; L7-E112 HydrophobicContact CD1-CB 3.84Å; L7-E112 HydrophobicContact CD1-CG 3.55Å; L7-I115 HydrophobicContact CD2-CB 4.48Å; L7-I115 HydrophobicContact CD2-CG2 4.26Å; L7-L116 HydrophobicContact CD2-CD1 4.13Å; L7-L116 HydrophobicContact CD2-CD2 3.88Å; L7-L116 HydrophobicContact CD2-CG 3.61Å; L7-L116 HydrophobicContact CG-CD1 4.2Å; L7-L116 HydrophobicContact CG-CD2 4.21Å; L7-L116 HydrophobicContact CG-CG 4.15Å
8Q88.4Confident84.2Confident87 Ų8768.9 Ų68.941%0.40734%0.338SS..Hα-helixtrans-65.1-17.5179.9-71.4179.9-3.800113.8W4 Y5 E6W4-Q8 WeakPolarHBondContact O-CG 3.39Å; W4-Q8 PolarHBondContact O-N 3.39Å; Y5-Q8 WeakPolarHBondContact O-CB 3.44Å; Y5-Q8 PolarHBondContact O-N 3.44Å; E6-Q8 VanDerWaalsContact C-N 3.33Å; E6-Q8 PolarHBondContact O-N 3.18Å
9Q86.1Confident84.2Confident121 Ų12170.7 Ų70.757%0.56535%0.345SS*.THydrogen-bonded Turntrans-88.5-2.8176.2-56.1-51.3-59.400113.3Y5 E6 L7Y5-Q9 HydrophobicContact CD1-CG 4.36Å; Y5-Q9 HydrophobicContact CE1-CG 4Å; Y5-Q9 WeakPolarHBondContact O-CG 3.16Å; Y5-Q9 PolarHBondContact O-N 2.85Å; E6-Q9 PolarHBondContact O-N 2.93Å; L7-Q9 PolarHBondContact O-N 3.24Å
10L85.1Confident84.1Confident29 Ų2973.3 Ų73.315%0.15236%0.357CS..SBendtrans-78.2159.9179.6-59.9-177.4000112.1L7 F14 L15 I115 L116 A119L7-L10 HydrophobicContact CD2-CD1 4.05Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 WeakPolarHBondContact O-CG 3.48Å; L7-L10 PolarHBondContact O-N 3.44Å; L7-L10 VanDerWaalsContact O-N 3.07Å; L10-F14 HydrophobicContact CB-CB 3.89Å; L10-F14 HydrophobicContact CB-CD2 4.36Å; L10-F14 HydrophobicContact CB-CG 4.5Å; L10-F14 HydrophobicContact CD1-CB 3.7Å; L10-F14 HydrophobicContact CD1-CG 4.28Å; L10-F14 HydrophobicContact CG-CB 4.46Å; L10-L15 WeakPolarHBondContact O-CD1 3.39Å; L10-I115 HydrophobicContact CD1-CG2 4.06Å; L10-L116 HydrophobicContact CD1-CD2 3.94Å; L10-L116 HydrophobicContact CD2-CD2 4.28Å; L10-L116 HydrophobicContact CG-CD2 4.29Å; L10-A119 HydrophobicContact CD1-CB 3.91Å; L10-A119 HydrophobicContact CD2-CB 3.63Å; L10-A119 HydrophobicContact CG-CB 4.35Å
11D78.9Confident84.1Confident87 Ų8772.1 Ų72.147%0.46535%0.352SS..  trans-59153.3171.8-67.4-36.2000111.9K13 F14 L15D11-K13 PolarHBondContact O-N 3Å; D11-F14 HydrophobicContact CB-CD2 4.18Å; D11-F14 PolarHBondContact O-N 3.29Å; D11-L15 PolarHBondContact O-N 3.02Å
12S75.4Confident85.4Confident95 Ų9564.4 Ų64.466%0.66431%0.313SS*.Hα-helixtrans-51.3-29.5-178610000114.5F14 L15 E16S12-F14 PolarHBondContact O-N 3.48Å; S12-L15 PolarHBondContact O-N 3.43Å; S12-E16 PolarHBondContact O-N 3.11Å
13K76.9Confident85.1Confident130 Ų13068 Ų6857%0.56533%0.33SS*.Hα-helixtrans-62.9-38.6177.1-64.2-179.9-177.9175.30113.1D11D11-K13 PolarHBondContact O-N 3Å
14F82.4Confident84.4Confident15 Ų1573.2 Ų73.27%0.06636%0.359CS..Hα-helixtrans-82.4-35178.7-60.2-73.7000110.9L10 D11 S12 E16 Q17 V18 I115 A119 F122L10-F14 HydrophobicContact CB-CB 3.89Å; L10-F14 HydrophobicContact CB-CD2 4.36Å; L10-F14 HydrophobicContact CB-CG 4.5Å; L10-F14 HydrophobicContact CD1-CB 3.7Å; L10-F14 HydrophobicContact CD1-CG 4.28Å; L10-F14 HydrophobicContact CG-CB 4.46Å; D11-F14 HydrophobicContact CB-CD2 4.18Å; D11-F14 PolarHBondContact O-N 3.29Å; S12-F14 PolarHBondContact O-N 3.48Å; F14-E16 VanDerWaalsContact C-N 3.26Å; F14-E16 PolarHBondContact O-N 3.15Å; F14-Q17 WeakPolarHBondContact O-CB 3.38Å; F14-Q17 PolarHBondContact O-N 3.23Å; F14-Q17 VanDerWaalsContact O-N 3.07Å; F14-V18 WeakPolarHBondContact O-CG2 3.47Å; F14-V18 PolarHBondContact O-N 2.87Å; F14-I115 HydrophobicContact CB-CG2 3.89Å; F14-I115 HydrophobicContact CD1-CG2 4.18Å; F14-I115 HydrophobicContact CG-CG2 4.47Å; F14-A119 HydrophobicContact CD1-CB 3.91Å; F14-A119 HydrophobicContact CD2-CB 3.82Å; F14-A119 HydrophobicContact CE1-CB 3.88Å; F14-A119 HydrophobicContact CE2-CB 3.79Å; F14-A119 HydrophobicContact CG-CB 3.89Å; F14-A119 HydrophobicContact CZ-CB 3.83Å; F14-F122 HydrophobicContact CE2-CB 4.47Å; F14-F122 HydrophobicContact CE2-CD1 4.19Å; F14-F122 HydrophobicContact CE2-CG 4.47Å; F14-F122 HydrophobicContact CZ-CB 3.77Å; F14-F122 HydrophobicContact CZ-CD1 4.06Å; F14-F122 AromaticContact CZ-CG 3.89Å; F14-F122 HydrophobicContact CZ-CG 3.89Å
15L83.6Confident83.8Confident50 Ų5074.7 Ų74.726%0.26237%0.371SS..Hα-helixtrans-59-38.1172.6-65.3174.5000112L7 L10 D11 S12 Q17 V18 H19L7-L15 WeakPolarHBondContact O-CD2 3.47Å; L10-L15 WeakPolarHBondContact O-CD1 3.39Å; D11-L15 PolarHBondContact O-N 3.02Å; S12-L15 PolarHBondContact O-N 3.43Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.2Å; L15-V18 WeakPolarHBondContact O-CB 3.18Å; L15-V18 PolarHBondContact O-N 2.94Å; L15-V18 VanDerWaalsContact O-N 3.17Å; L15-H19 PolarHBondContact O-CD2 2.96Å; L15-H19 PolarHBondContact O-N 3.4Å
16E80.1Confident83.5Confident103 Ų10369.8 Ų69.848%0.48135%0.352SS..Hα-helixtrans-63-37174.1-174.359.2-149.200112.4S12 F14 V18 H19 Q20S12-E16 PolarHBondContact O-N 3.11Å; F14-E16 VanDerWaalsContact C-N 3.26Å; F14-E16 PolarHBondContact O-N 3.15Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-H19 PolarHBondContact O-N 2.58Å; E16-Q20 WeakPolarHBondContact O-CG 3.34Å; E16-Q20 PolarHBondContact O-N 2.7Å; E16-Q20 VanDerWaalsContact O-N 3.16Å
17Q81.1Confident83.5Confident83 Ų8366.4 Ų66.439%0.38834%0.338SS..Hα-helixtrans-65.7-39.5173.4-651799.500111.3F14 L15 H19 Q20 L21 I115F14-Q17 WeakPolarHBondContact O-CB 3.38Å; F14-Q17 PolarHBondContact O-N 3.23Å; F14-Q17 VanDerWaalsContact O-N 3.07Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.2Å; Q17-H19 VanDerWaalsContact C-N 3.33Å; Q17-H19 PolarHBondContact O-N 3.44Å; Q17-Q20 PolarHBondContact O-N 2.77Å; Q17-L21 PolarHBondContact O-N 3.17Å; Q17-I115 HydrophobicContact CB-CD1 3.83Å; Q17-I115 HydrophobicContact CB-CG1 4.32Å
18V87.8Confident83.5Confident5 Ų569 Ų693%0.0335%0.35CS..Hα-helixtrans-60.9-44.2173.9178.70000110.4W4 L7 F14 L15 E16 Q20 L21 Y22 I115W4-V18 HydrophobicContact CH2-CG1 4.19Å; W4-V18 HydrophobicContact CZ3-CG1 3.97Å; L7-V18 HydrophobicContact CD1-CG2 4.44Å; L7-V18 HydrophobicContact CD2-CG2 3.84Å; F14-V18 WeakPolarHBondContact O-CG2 3.47Å; F14-V18 PolarHBondContact O-N 2.87Å; L15-V18 WeakPolarHBondContact O-CB 3.18Å; L15-V18 PolarHBondContact O-N 2.94Å; L15-V18 VanDerWaalsContact O-N 3.17Å; E16-V18 VanDerWaalsContact C-N 3.34Å; V18-Q20 PolarHBondContact O-N 3.11Å; V18-L21 WeakPolarHBondContact O-CB 3.24Å; V18-L21 PolarHBondContact O-N 3.49Å; V18-L21 VanDerWaalsContact O-N 3.08Å; V18-Y22 HydrophobicContact CG1-CD2 4.25Å; V18-Y22 HydrophobicContact CG1-CE2 3.92Å; V18-Y22 VanDerWaalsContact O-CD2 3.29Å; V18-Y22 WeakPolarHBondContact O-CD2 3.17Å; V18-I115 HydrophobicContact CG2-CD1 3.93Å; V18-I115 HydrophobicContact CG2-CG2 4.33Å
19H84Confident83.6Confident102 Ų10267.8 Ų67.847%0.47235%0.345SS..Hα-helixtrans-58.8-34177-77.9-58.2000113.3L15 E16 Q17 L21L15-H19 PolarHBondContact O-CD2 2.96Å; L15-H19 PolarHBondContact O-N 3.4Å; E16-H19 PolarHBondContact O-N 2.58Å; Q17-H19 VanDerWaalsContact C-N 3.33Å; Q17-H19 PolarHBondContact O-N 3.44Å; H19-L21 VanDerWaalsContact C-N 3.26Å; H19-L21 PolarHBondContact O-N 3.49Å
20Q82.6Confident83.9Confident122 Ų12262 Ų6257%0.5732%0.318SS*.Hα-helixtrans-73.7-14.8179-69171.710.500113.8E16 Q17 V18E16-Q20 WeakPolarHBondContact O-CG 3.34Å; E16-Q20 PolarHBondContact O-N 2.7Å; E16-Q20 VanDerWaalsContact O-N 3.16Å; Q17-Q20 PolarHBondContact O-N 2.77Å; V18-Q20 PolarHBondContact O-N 3.11Å
21L85Confident84.3Confident49 Ų4960.7 Ų60.726%0.25731%0.311SS..Hα-helixtrans-81-23.2177.1-65.2177.2000113.5Q17 V18 H19 E111 E112 I115Q17-L21 PolarHBondContact O-N 3.17Å; V18-L21 WeakPolarHBondContact O-CB 3.24Å; V18-L21 PolarHBondContact O-N 3.49Å; V18-L21 VanDerWaalsContact O-N 3.08Å; H19-L21 VanDerWaalsContact C-N 3.26Å; H19-L21 PolarHBondContact O-N 3.49Å; L21-E111 HydrophobicContact CD1-CB 3.81Å; L21-E111 HydrophobicContact CD2-CB 3.81Å; L21-E111 HydrophobicContact CD2-CG 4.18Å; L21-E111 HydrophobicContact CG-CB 4.5Å; L21-E112 HydrophobicContact CD1-CG 4.27Å; L21-I115 HydrophobicContact CD1-CD1 3.74Å
22Y89Confident85Confident23 Ų2360.1 Ų60.19%0.0931%0.305CS..  trans-108.2122-172.2-67.3-75.3000111.3W4 V18 F26 M28 R31 C108 E112W4-Y22 HydrophobicContact CH2-CE2 4.07Å; W4-Y22 AromaticContact CZ3-CE2 3.82Å; W4-Y22 HydrophobicContact CZ3-CE2 3.82Å; V18-Y22 HydrophobicContact CG1-CD2 4.25Å; V18-Y22 HydrophobicContact CG1-CE2 3.92Å; V18-Y22 VanDerWaalsContact O-CD2 3.29Å; V18-Y22 WeakPolarHBondContact O-CD2 3.17Å; Y22-F26 HydrophobicContact CD1-CD1 4.09Å; Y22-F26 WeakPolarHBondContact CD1-O 3.35Å; Y22-F26 AromaticContact CE1-CD1 3.8Å; Y22-F26 HydrophobicContact CE1-CD1 3.8Å; Y22-F26 HydrophobicContact CE1-CE1 4.04Å; Y22-M28 HydrophobicContact CD1-CB 4.3Å; Y22-M28 HydrophobicContact CD2-CB 4.45Å; Y22-M28 HydrophobicContact CD2-CG 4.12Å; Y22-M28 HydrophobicContact CG-CB 3.92Å; Y22-M28 HydrophobicContact CG-CG 4.1Å; Y22-R31 HydrophobicContact CD1-CB 4.31Å; Y22-R31 HydrophobicContact CE1-CB 3.64Å; Y22-R31 HydrophobicContact CE1-CG 3.7Å; Y22-R31 HydrophobicContact CE2-CG 4.33Å; Y22-R31 WeakPolarHBondContact OH-CD 3.45Å; Y22-R31 VanDerWaalsContact OH-CG 3.24Å; Y22-R31 WeakPolarHBondContact OH-CG 3.32Å; Y22-R31 PolarHBondContact OH-NE 3.32Å; Y22-C108 HydrophobicContact CE1-CB 4.42Å; Y22-E112 VanDerWaalsContact OH-CD 3.28Å; Y22-E112 PolarHBondContact OH-OE1 3.08Å
23D82.4Confident85.9Confident98 Ų9859.1 Ų59.152%0.52429%0.287SS..  trans-132.3-170.1175.365.520000110.8S25 F26D23-S25 PolarHBondContact O-N 3.36Å; D23-S25 VanDerWaalsContact O-N 3.16Å; D23-S25 WeakPolarHBondContact OD1-CA 3.1Å; D23-S25 WeakPolarHBondContact OD1-CB 3.42Å; D23-S25 PolarHBondContact OD1-N 2.99Å; D23-S25 PolarHBondContact OD1-OG 3.38Å; D23-F26 CarbonylContact O-C 3.23Å; D23-F26 VanDerWaalsContact O-C 3.23Å; D23-F26 PolarHBondContact O-N 3.23Å
24D77.6Confident86.8Confident132 Ų13253.1 Ų53.171%0.70626%0.261SS*.THydrogen-bonded Turntrans-65.8-13.6-179.4-75.2-23000113.6
25S80.4Confident87.4Confident43 Ų4352.7 Ų52.730%0.30126%0.261SS..THydrogen-bonded Turntrans-72.7-37.9175.3760000111.7D23 F94D23-S25 PolarHBondContact O-N 3.36Å; D23-S25 VanDerWaalsContact O-N 3.16Å; D23-S25 WeakPolarHBondContact OD1-CA 3.1Å; D23-S25 WeakPolarHBondContact OD1-CB 3.42Å; D23-S25 PolarHBondContact OD1-N 2.99Å; D23-S25 PolarHBondContact OD1-OG 3.38Å; S25-F94 WeakPolarHBondContact O-CE2 3.29Å; S25-F94 WeakPolarHBondContact O-CZ 3.4Å
26F86.9Confident87.9Confident4 Ų456.7 Ų56.72%0.01828%0.278CS..SBendtrans-138.397.1171.6-173.3-114.9000110.2Y22 D23 M28 I30 R31 L38 I104 I105Y22-F26 HydrophobicContact CD1-CD1 4.09Å; Y22-F26 WeakPolarHBondContact CD1-O 3.35Å; Y22-F26 AromaticContact CE1-CD1 3.8Å; Y22-F26 HydrophobicContact CE1-CD1 3.8Å; Y22-F26 HydrophobicContact CE1-CE1 4.04Å; D23-F26 CarbonylContact O-C 3.23Å; D23-F26 VanDerWaalsContact O-C 3.23Å; D23-F26 PolarHBondContact O-N 3.23Å; F26-M28 PolarHBondContact O-N 3.46Å; F26-I30 HydrophobicContact CE2-CB 4.49Å; F26-I30 HydrophobicContact CE2-CG2 3.98Å; F26-I30 HydrophobicContact CZ-CG2 4.12Å; F26-R31 HydrophobicContact CE1-CB 4.01Å; F26-L38 HydrophobicContact CZ-CD1 3.99Å; F26-L38 HydrophobicContact CZ-CD2 4.31Å; F26-I104 HydrophobicContact CB-CG2 3.75Å; F26-I104 HydrophobicContact CG-CG2 4.37Å; F26-I105 HydrophobicContact CD2-CD1 4.46Å; F26-I105 HydrophobicContact CD2-CG1 4.03Å; F26-I105 HydrophobicContact CE1-CG1 4.26Å; F26-I105 HydrophobicContact CE2-CD1 3.82Å; F26-I105 HydrophobicContact CE2-CG1 3.67Å; F26-I105 HydrophobicContact CG-CG1 4.49Å; F26-I105 HydrophobicContact CZ-CD1 4.17Å; F26-I105 HydrophobicContact CZ-CG1 3.8Å
27P88.8Confident88.7Confident15 Ų1553.8 Ų53.810%0.09726%0.263CS..  trans-61.9130.8-173-24.432.9000113.2E29 I30 R31P27-E29 PolarHBondContact O-N 2.97Å; P27-E29 VanDerWaalsContact O-N 3.07Å; P27-I30 HydrophobicContact CB-CG1 4.32Å; P27-I30 HydrophobicContact CG-CD1 4.32Å; P27-I30 WeakPolarHBondContact O-CB 3.48Å; P27-I30 PolarHBondContact O-N 2.92Å; P27-R31 PolarHBondContact O-N 3.24Å
28M91.8Very high89.4Confident56 Ų5649.9 Ų49.928%0.27624%0.244SC..Hα-helixtrans-54.9-28.5175.4-168.4179.4174.200112.8W4 Y22 F26 I30 R31 Q32W4-M28 HydrophobicContact CH2-CE 3.39Å; W4-M28 HydrophobicContact CH2-CG 3.65Å; W4-M28 HydrophobicContact CH2-SD 4.26Å; W4-M28 HydrophobicContact CZ2-CE 3.45Å; W4-M28 VanDerWaalsContact CZ2-CE 3.45Å; W4-M28 HydrophobicContact CZ2-CG 3.9Å; W4-M28 HydrophobicContact CZ2-SD 4.5Å; Y22-M28 HydrophobicContact CD1-CB 4.3Å; Y22-M28 HydrophobicContact CD2-CB 4.45Å; Y22-M28 HydrophobicContact CD2-CG 4.12Å; Y22-M28 HydrophobicContact CG-CB 3.92Å; Y22-M28 HydrophobicContact CG-CG 4.1Å; F26-M28 PolarHBondContact O-N 3.46Å; M28-I30 VanDerWaalsContact C-N 3.32Å; M28-I30 PolarHBondContact O-N 2.75Å; M28-R31 WeakPolarHBondContact O-CB 3.43Å; M28-R31 PolarHBondContact O-N 3.37Å; M28-Q32 WeakPolarHBondContact O-CB 2.91Å; M28-Q32 PolarHBondContact O-N 3.3Å
29E89.1Confident89.7Confident61 Ų6152.3 Ų52.329%0.28526%0.255SS..Hα-helixtrans-58.6-43.6175.4-57.7172.6153.500111.6P27 Q32 Y33 N82 S86P27-E29 PolarHBondContact O-N 2.97Å; P27-E29 VanDerWaalsContact O-N 3.07Å; E29-Q32 PolarHBondContact O-N 3.35Å; E29-Y33 WeakPolarHBondContact O-CD2 3.32Å; E29-Y33 PolarHBondContact O-N 2.93Å; E29-N82 PolarHBondContact OE1-ND2 3Å; E29-S86 PolarHBondContact OE2-OG 2.81Å
30I92.6Very high90.2Very high0 Ų055.2 Ų55.20%027%0.267CS..Hα-helixtrans-68.4-46.5177.5-61.8-173.3000109.3F26 P27 M28 Q32 L34 L60 L64 L90F26-I30 HydrophobicContact CE2-CB 4.49Å; F26-I30 HydrophobicContact CE2-CG2 3.98Å; F26-I30 HydrophobicContact CZ-CG2 4.12Å; P27-I30 HydrophobicContact CB-CG1 4.32Å; P27-I30 HydrophobicContact CG-CD1 4.32Å; P27-I30 WeakPolarHBondContact O-CB 3.48Å; P27-I30 PolarHBondContact O-N 2.92Å; M28-I30 VanDerWaalsContact C-N 3.32Å; M28-I30 PolarHBondContact O-N 2.75Å; I30-Q32 PolarHBondContact O-N 2.86Å; I30-L34 HydrophobicContact CG2-CD1 4.16Å; I30-L34 WeakPolarHBondContact O-CB 3.49Å; I30-L34 PolarHBondContact O-N 2.93Å; I30-L60 HydrophobicContact CG2-CD1 4.1Å; I30-L64 HydrophobicContact CD1-CD1 4.03Å; I30-L64 HydrophobicContact CD1-CD2 4.19Å; I30-L64 HydrophobicContact CG1-CD2 3.99Å; I30-L64 HydrophobicContact CG2-CD2 4.36Å; I30-L90 HydrophobicContact CD1-CD1 3.56Å
31R94.2Very high90.8Very high1 Ų151.2 Ų51.20%0.00425%0.248CC..Hα-helixtrans-51.8-43.5175.1172.266.1-173100.4-9.8112.3W4 Y22 F26 P27 M28 A35 E39 E112W4-R31 HydrophobicContact CD2-CG 4.25Å; W4-R31 HydrophobicContact CE3-CG 3.7Å; W4-R31 HydrophobicContact CH2-CG 3.91Å; W4-R31 HydrophobicContact CZ2-CG 4.44Å; W4-R31 HydrophobicContact CZ3-CG 3.53Å; Y22-R31 HydrophobicContact CD1-CB 4.31Å; Y22-R31 HydrophobicContact CE1-CB 3.64Å; Y22-R31 HydrophobicContact CE1-CG 3.7Å; Y22-R31 HydrophobicContact CE2-CG 4.33Å; Y22-R31 WeakPolarHBondContact OH-CD 3.45Å; Y22-R31 VanDerWaalsContact OH-CG 3.24Å; Y22-R31 WeakPolarHBondContact OH-CG 3.32Å; Y22-R31 PolarHBondContact OH-NE 3.32Å; F26-R31 HydrophobicContact CE1-CB 4.01Å; P27-R31 PolarHBondContact O-N 3.24Å; M28-R31 WeakPolarHBondContact O-CB 3.43Å; M28-R31 PolarHBondContact O-N 3.37Å; R31-A35 WeakPolarHBondContact O-CA 3.4Å; R31-A35 VanDerWaalsContact O-CB 3.3Å; R31-A35 WeakPolarHBondContact O-CB 3.48Å; R31-A35 PolarHBondContact O-N 3.49Å; R31-E39 IonicContact CZ-OE1 2.68Å; R31-E39 IonicContact NH1-OE1 2.74Å; R31-E39 PolarHBondContact NH1-OE1 3.23Å; R31-E39 IonicContact NH2-OE1 2.63Å; R31-E39 PolarHBondContact NH2-OE1 3.5Å; R31-E112 IonicContact CZ-OE1 2.97Å; R31-E112 IonicContact CZ-OE2 2.8Å; R31-E112 IonicContact NE-OE1 3.71Å; R31-E112 PolarHBondContact NE-OE1 3.01Å; R31-E112 IonicContact NE-OE2 3.72Å; R31-E112 PolarHBondContact NE-OE2 2.68Å; R31-E112 IonicContact NH2-OE1 2.67Å; R31-E112 IonicContact NH2-OE2 3.63Å; R31-E112 PolarHBondContact NH2-OE2 3.4Å
32Q94Very high91.2Very high76 Ų7653.1 Ų53.136%0.35526%0.259SS..Hα-helixtrans-74.8-55.1-176.7172.7165.5-39.300112.5W4 M28 E29 I30 L34 A35W4-Q32 HydrophobicContact CZ2-CB 4.01Å; M28-Q32 WeakPolarHBondContact O-CB 2.91Å; M28-Q32 PolarHBondContact O-N 3.3Å; E29-Q32 PolarHBondContact O-N 3.35Å; I30-Q32 PolarHBondContact O-N 2.86Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.12Å; Q32-A35 WeakPolarHBondContact O-CB 3.49Å; Q32-A35 PolarHBondContact O-N 3.24Å
33Y93.9Very high91.5Very high73 Ų7352.3 Ų52.329%0.28626%0.255SS..Hα-helixtrans-73.3-23-172.6-68.9-57.1000113.4E29 Q67 F71 L79 I83E29-Y33 WeakPolarHBondContact O-CD2 3.32Å; E29-Y33 PolarHBondContact O-N 2.93Å; Y33-Q67 PolarHBondContact O-NE2 3.25Å; Y33-Q67 VanDerWaalsContact O-NE2 3.15Å; Y33-F71 HydrophobicContact CD1-CE1 4.48Å; Y33-F71 AromaticContact CD1-CZ 3.68Å; Y33-F71 HydrophobicContact CD1-CZ 3.68Å; Y33-F71 HydrophobicContact CD2-CE2 4.22Å; Y33-F71 HydrophobicContact CD2-CZ 4.01Å; Y33-F71 HydrophobicContact CE1-CE1 4.22Å; Y33-F71 AromaticContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE2-CE2 4.29Å; Y33-F71 AromaticContact CE2-CZ 3.96Å; Y33-F71 HydrophobicContact CE2-CZ 3.96Å; Y33-F71 HydrophobicContact CG-CE2 4.4Å; Y33-F71 AromaticContact CG-CZ 3.88Å; Y33-F71 HydrophobicContact CG-CZ 3.88Å; Y33-F71 AromaticContact CZ-CZ 3.78Å; Y33-L79 HydrophobicContact CE1-CD1 4.5Å; Y33-L79 HydrophobicContact CE2-CD2 4.12Å; Y33-L79 VanDerWaalsContact OH-CD1 3.26Å; Y33-L79 WeakPolarHBondContact OH-CD1 3.44Å; Y33-L79 WeakPolarHBondContact OH-CD2 3.4Å; Y33-I83 HydrophobicContact CD2-CD1 4.24Å
34L95.3Very high91.9Very high4 Ų452.8 Ų52.82%0.02125%0.254CS..THydrogen-bonded Turntrans-11017.6176.4-61.6176.6000112.7I30 Q32 Q36 W37 L38 L60 Q63 L64 Q67I30-L34 HydrophobicContact CG2-CD1 4.16Å; I30-L34 WeakPolarHBondContact O-CB 3.49Å; I30-L34 PolarHBondContact O-N 2.93Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.12Å; L34-Q36 VanDerWaalsContact C-N 3.35Å; L34-Q36 PolarHBondContact O-N 2.94Å; L34-W37 WeakPolarHBondContact O-CA 3.49Å; L34-W37 PolarHBondContact O-N 3.09Å; L34-L38 HydrophobicContact CB-CD1 4.13Å; L34-L38 HydrophobicContact CB-CG 4.15Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 3.29Å; L34-L60 HydrophobicContact CD1-CD1 3.52Å; L34-Q63 HydrophobicContact CD1-CB 3.91Å; L34-Q63 HydrophobicContact CD2-CB 3.74Å; L34-Q63 HydrophobicContact CG-CB 4.49Å; L34-L64 HydrophobicContact CD1-CD2 3.62Å; L34-L64 HydrophobicContact CD1-CG 3.92Å; L34-Q67 HydrophobicContact CD2-CG 3.55Å; L34-Q67 HydrophobicContact CG-CG 4.29Å
35A95.4Very high92.6Very high6 Ų650.7 Ų50.75%0.0524%0.24CC..Hα-helixtrans-48.4-52.3-174.200000113.7W4 R31 Q32 W37 L38 E39W4-A35 HydrophobicContact CB-CB 3.78Å; W4-A35 HydrophobicContact CG-CB 4.22Å; R31-A35 WeakPolarHBondContact O-CA 3.4Å; R31-A35 VanDerWaalsContact O-CB 3.3Å; R31-A35 WeakPolarHBondContact O-CB 3.48Å; R31-A35 PolarHBondContact O-N 3.49Å; Q32-A35 WeakPolarHBondContact O-CB 3.49Å; Q32-A35 PolarHBondContact O-N 3.24Å; A35-W37 VanDerWaalsContact C-N 3.26Å; A35-W37 PolarHBondContact O-N 3.04Å; A35-L38 PolarHBondContact O-N 3.38Å; A35-E39 WeakPolarHBondContact O-CB 3.44Å; A35-E39 WeakPolarHBondContact O-CG 3.3Å; A35-E39 PolarHBondContact O-N 2.86Å
36Q93.9Very high93.1Very high135 Ų13548.7 Ų48.763%0.63123%0.226SC*.Hα-helixtrans-65.5-29-178.9-64.2-178.48.400113.4L34 K40L34-Q36 VanDerWaalsContact C-N 3.35Å; L34-Q36 PolarHBondContact O-N 2.94Å; Q36-K40 WeakPolarHBondContact O-CD 3.42Å; Q36-K40 VanDerWaalsContact O-CG 3.24Å; Q36-K40 WeakPolarHBondContact O-CG 3.44Å
37W96.1Very high93.3Very high42 Ų4249.1 Ų49.116%0.15923%0.231CC..Hα-helixtrans-78.3-47.4178.1-177.689.4000110.2L34 A35 E39 K40 Q41 W43 D59 L60 Q63L34-W37 WeakPolarHBondContact O-CA 3.49Å; L34-W37 PolarHBondContact O-N 3.09Å; A35-W37 VanDerWaalsContact C-N 3.26Å; A35-W37 PolarHBondContact O-N 3.04Å; W37-E39 PolarHBondContact O-N 2.67Å; W37-K40 PolarHBondContact O-N 3.18Å; W37-Q41 HydrophobicContact CD2-CG 4.2Å; W37-Q41 HydrophobicContact CE3-CG 4.15Å; W37-Q41 HydrophobicContact CH2-CG 3.88Å; W37-Q41 HydrophobicContact CZ2-CG 3.91Å; W37-Q41 HydrophobicContact CZ3-CG 4Å; W37-Q41 WeakPolarHBondContact O-CG 3.41Å; W37-Q41 PolarHBondContact O-NE2 3.05Å; W37-W43 HydrophobicContact CH2-CH2 4.08Å; W37-W43 HydrophobicContact CH2-CZ2 4.2Å; W37-W43 AromaticContact CZ3-CH2 3.89Å; W37-W43 HydrophobicContact CZ3-CH2 3.89Å; W37-W43 AromaticContact CZ3-CZ2 3.71Å; W37-W43 HydrophobicContact CZ3-CZ2 3.71Å; W37-D59 HydrophobicContact CH2-CB 4.05Å; W37-D59 HydrophobicContact CZ2-CB 3.57Å; W37-L60 HydrophobicContact CE3-CD1 4.17Å; W37-L60 HydrophobicContact CH2-CB 3.87Å; W37-L60 HydrophobicContact CZ3-CB 3.83Å; W37-L60 HydrophobicContact CZ3-CD1 3.76Å; W37-L60 HydrophobicContact CZ3-CG 4.32Å; W37-Q63 HydrophobicContact CD2-CG 3.87Å; W37-Q63 HydrophobicContact CG-CG 3.94Å; W37-Q63 HydrophobicContact CZ2-CG 4.42Å
38L95.8Very high93.2Very high0 Ų055 Ų550%026%0.261CS..Hα-helixtrans-59-46.2178.3-69167.8000111.4F26 L34 A35 K40 Q41 W43 L60 I105F26-L38 HydrophobicContact CZ-CD1 3.99Å; F26-L38 HydrophobicContact CZ-CD2 4.31Å; L34-L38 HydrophobicContact CB-CD1 4.13Å; L34-L38 HydrophobicContact CB-CG 4.15Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 3.29Å; A35-L38 PolarHBondContact O-N 3.38Å; L38-K40 PolarHBondContact O-N 3.35Å; L38-K40 VanDerWaalsContact O-N 3.15Å; L38-Q41 PolarHBondContact O-N 3.06Å; L38-W43 HydrophobicContact CD2-CH2 4.44Å; L38-W43 HydrophobicContact CD2-CZ2 3.69Å; L38-W43 PolarHBondContact O-NE1 3.05Å; L38-L60 HydrophobicContact CD2-CD1 4.16Å; L38-I105 HydrophobicContact CD2-CD1 4.34Å; L38-I105 HydrophobicContact CD2-CG2 4.33Å
39E95.4Very high93.3Very high56 Ų5654.9 Ų54.926%0.26226%0.261SS..THydrogen-bonded Turntrans-65.5-17.2-178.8-70.6164.6-154.800113.6S2 Q3 W4 R31 A35 W37 L109S2-E39 VanDerWaalsContact CA-OE2 3.23Å; S2-E39 WeakPolarHBondContact CA-OE2 3.47Å; S2-E39 VanDerWaalsContact CB-OE2 3.22Å; S2-E39 WeakPolarHBondContact CB-OE2 3.48Å; Q3-E39 HydrophobicContact CB-CG 4.23Å; Q3-E39 PolarHBondContact N-OE1 3.27Å; Q3-E39 PolarHBondContact N-OE2 3.1Å; W4-E39 PolarHBondContact N-OE1 2.74Å; W4-E39 VanDerWaalsContact N-OE1 3.12Å; R31-E39 IonicContact CZ-OE1 2.68Å; R31-E39 IonicContact NH1-OE1 2.74Å; R31-E39 PolarHBondContact NH1-OE1 3.23Å; R31-E39 IonicContact NH2-OE1 2.63Å; R31-E39 PolarHBondContact NH2-OE1 3.5Å; A35-E39 WeakPolarHBondContact O-CB 3.44Å; A35-E39 WeakPolarHBondContact O-CG 3.3Å; A35-E39 PolarHBondContact O-N 2.86Å; W37-E39 PolarHBondContact O-N 2.67Å; E39-L109 HydrophobicContact CG-CD2 4.3Å
40K94.4Very high93.3Very high164 Ų16456 Ų5671%0.71327%0.272SS*.THydrogen-bonded Turntrans-90.4-19.2178.9-75.5176.4-176.21790114.2Q36 W37 L38Q36-K40 WeakPolarHBondContact O-CD 3.42Å; Q36-K40 VanDerWaalsContact O-CG 3.24Å; Q36-K40 WeakPolarHBondContact O-CG 3.44Å; W37-K40 PolarHBondContact O-N 3.18Å; L38-K40 PolarHBondContact O-N 3.35Å; L38-K40 VanDerWaalsContact O-N 3.15Å
41Q94.6Very high93.2Very high38 Ų3859.4 Ų59.418%0.17830%0.296CS..SBendtrans-82.2149.1-175-48-48.7-4800111.3W37 L38 W43W37-Q41 HydrophobicContact CD2-CG 4.2Å; W37-Q41 HydrophobicContact CE3-CG 4.15Å; W37-Q41 HydrophobicContact CH2-CG 3.88Å; W37-Q41 HydrophobicContact CZ2-CG 3.91Å; W37-Q41 HydrophobicContact CZ3-CG 4Å; W37-Q41 WeakPolarHBondContact O-CG 3.41Å; W37-Q41 PolarHBondContact O-NE2 3.05Å; L38-Q41 PolarHBondContact O-N 3.06Å; Q41-W43 HydrophobicContact CB-CD2 4.25Å; Q41-W43 HydrophobicContact CB-CZ2 3.78Å; Q41-W43 HydrophobicContact CG-CZ2 3.75Å; Q41-W43 PolarHBondContact O-N 2.94Å; Q41-W43 VanDerWaalsContact O-N 3.12Å
42D93.8Very high93.1Very high89 Ų8961.4 Ų61.448%0.47631%0.305SS..  trans-84.878.9173.9-167-16000110.8E44 H45 A46 F52D42-E44 PolarHBondContact O-N 2.97Å; D42-E44 PolarHBondContact OD1-N 3.42Å; D42-H45 HydrophobicContact CB-CB 4.24Å; D42-H45 PolarHBondContact O-N 3.35Å; D42-H45 PolarHBondContact OD1-N 3.34Å; D42-A46 PolarHBondContact O-N 2.88Å; D42-A46 VanDerWaalsContact O-N 3.11Å; D42-F52 HydrophobicContact CB-CE1 4.36Å
43W94.3Very high93Very high6 Ų657.8 Ų57.82%0.02329%0.288CS..Hα-helixtrans-69.2-22.5178.8-61106.8000113.2W37 L38 Q41 A46 A47 R56 M101 I105 Y106W37-W43 HydrophobicContact CH2-CH2 4.08Å; W37-W43 HydrophobicContact CH2-CZ2 4.2Å; W37-W43 AromaticContact CZ3-CH2 3.89Å; W37-W43 HydrophobicContact CZ3-CH2 3.89Å; W37-W43 AromaticContact CZ3-CZ2 3.71Å; W37-W43 HydrophobicContact CZ3-CZ2 3.71Å; L38-W43 HydrophobicContact CD2-CH2 4.44Å; L38-W43 HydrophobicContact CD2-CZ2 3.69Å; L38-W43 PolarHBondContact O-NE1 3.05Å; Q41-W43 HydrophobicContact CB-CD2 4.25Å; Q41-W43 HydrophobicContact CB-CZ2 3.78Å; Q41-W43 HydrophobicContact CG-CZ2 3.75Å; Q41-W43 PolarHBondContact O-N 2.94Å; Q41-W43 VanDerWaalsContact O-N 3.12Å; W43-A46 HydrophobicContact CE3-CB 4.39Å; W43-A46 PolarHBondContact O-N 2.76Å; W43-A47 WeakPolarHBondContact O-CB 3.46Å; W43-A47 PolarHBondContact O-N 3.28Å; W43-R56 HydrophobicContact CH2-CB 4.25Å; W43-R56 HydrophobicContact CZ3-CB 4Å; W43-M101 HydrophobicContact CZ3-CE 3.95Å; W43-I105 HydrophobicContact CD2-CB 4.01Å; W43-I105 HydrophobicContact CD2-CD1 4.4Å; W43-I105 HydrophobicContact CD2-CG2 3.65Å; W43-I105 HydrophobicContact CE3-CB 4.26Å; W43-I105 HydrophobicContact CE3-CD1 4.1Å; W43-I105 HydrophobicContact CE3-CG2 4.34Å; W43-I105 HydrophobicContact CG-CB 4.29Å; W43-I105 HydrophobicContact CG-CG2 3.81Å; W43-I105 HydrophobicContact CH2-CD1 3.71Å; W43-I105 HydrophobicContact CZ2-CD1 4.03Å; W43-I105 HydrophobicContact CZ2-CG2 4.13Å; W43-I105 HydrophobicContact CZ3-CD1 3.75Å; W43-Y106 HydrophobicContact CB-CD2 4.47Å
44E92.4Very high93Very high108 Ų10856.6 Ų56.651%0.50529%0.289SS..Hα-helixtrans-68.9-43.5176.1-170166.7150.700110.4D42 N48 Y106D42-E44 PolarHBondContact O-N 2.97Å; D42-E44 PolarHBondContact OD1-N 3.42Å; E44-N48 PolarHBondContact O-ND2 2.83Å; E44-Y106 HydrophobicContact CB-CD2 3.86Å; E44-Y106 HydrophobicContact CB-CE2 3.59Å; E44-Y106 HydrophobicContact CG-CD2 4.48Å; E44-Y106 HydrophobicContact CG-CE2 3.86Å; E44-Y106 VanDerWaalsContact OE2-CE2 3.22Å; E44-Y106 WeakPolarHBondContact OE2-CE2 3.32Å; E44-Y106 PolarHBondContact OE2-OH 2.94Å
45H91.3Very high92.9Very high88 Ų8860.7 Ų60.741%0.40731%0.31SS..Hα-helixtrans-65.5-44.2172.7-174.141.9000111.6D42 A47 N48 D49 F52D42-H45 HydrophobicContact CB-CB 4.24Å; D42-H45 PolarHBondContact O-N 3.35Å; D42-H45 PolarHBondContact OD1-N 3.34Å; H45-A47 VanDerWaalsContact C-N 3.3Å; H45-A47 PolarHBondContact O-N 3.07Å; H45-N48 PolarHBondContact O-N 3.21Å; H45-D49 PolarHBondContact O-N 3.19Å; H45-F52 HydrophobicContact CB-CD1 4.23Å; H45-F52 HydrophobicContact CB-CE1 4.17Å; H45-F52 AromaticContact CD2-CD1 3.36Å; H45-F52 WeakPolarHBondContact CD2-CD1 3.5Å; H45-F52 AromaticContact CD2-CE1 3.54Å; H45-F52 AromaticContact CD2-CG 3.85Å; H45-F52 AromaticContact CG-CD1 3.99Å
46A91.9Very high92.9Very high0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-63.4-32.1179.200000113.3D42 W43 N48 F52 A53D42-A46 PolarHBondContact O-N 2.88Å; D42-A46 VanDerWaalsContact O-N 3.11Å; W43-A46 HydrophobicContact CE3-CB 4.39Å; W43-A46 PolarHBondContact O-N 2.76Å; A46-N48 PolarHBondContact O-N 3.48Å; A46-N48 VanDerWaalsContact O-N 3.17Å; A46-F52 HydrophobicContact CB-CD1 3.79Å; A46-F52 HydrophobicContact CB-CE1 4.3Å; A46-A53 WeakPolarHBondContact O-CB 3.36Å
47A90.1Very high93Very high14 Ų1456.3 Ų56.312%0.11629%0.286CS..THydrogen-bonded Turntrans-67.3-11.8175.600000113.8W43 H45 I99 M103W43-A47 WeakPolarHBondContact O-CB 3.46Å; W43-A47 PolarHBondContact O-N 3.28Å; H45-A47 VanDerWaalsContact C-N 3.3Å; H45-A47 PolarHBondContact O-N 3.07Å; A47-I99 VanDerWaalsContact O-CG2 3.23Å; A47-I99 WeakPolarHBondContact O-CG2 3.45Å; A47-M103 HydrophobicContact CB-CB 4.31Å; A47-M103 HydrophobicContact CB-SD 4.05Å
48N88Confident92.9Very high137 Ų13759.2 Ų59.273%0.73330%0.301SS*.THydrogen-bonded Turntrans-118-8.5-178-65.3-70.1000113.8E44 H45 A46E44-N48 PolarHBondContact O-ND2 2.83Å; H45-N48 PolarHBondContact O-N 3.21Å; A46-N48 PolarHBondContact O-N 3.48Å; A46-N48 VanDerWaalsContact O-N 3.17Å
49D92.3Very high92.9Very high54 Ų5462.1 Ų62.129%0.28932%0.317SS..  trans-130.1112.7-178.6-172.7-39.2000111H45 S51 F52 A53H45-D49 PolarHBondContact O-N 3.19Å; D49-S51 VanDerWaalsContact C-N 3.3Å; D49-S51 PolarHBondContact O-N 3.45Å; D49-S51 WeakPolarHBondContact OD1-CA 3.29Å; D49-S51 WeakPolarHBondContact OD1-CB 3.32Å; D49-S51 PolarHBondContact OD1-N 3.26Å; D49-S51 PolarHBondContact OD1-OG 3.5Å; D49-F52 HydrophobicContact CB-CB 4Å; D49-F52 PolarHBondContact O-N 2.89Å; D49-F52 PolarHBondContact OD1-N 3.29Å; D49-A53 WeakPolarHBondContact O-CB 3.26Å; D49-A53 PolarHBondContact O-N 2.94Å
50V90.4Very high92.9Very high84 Ų8459.4 Ų59.451%0.50930%0.304SS..Hα-helixtrans-60-39.3-177.6-164.50000112.2A53 T54 I99V50-A53 PolarHBondContact O-N 2.91Å; V50-T54 WeakPolarHBondContact O-CB 3.37Å; V50-T54 PolarHBondContact O-N 3.42Å; V50-T54 PolarHBondContact O-OG1 2.94Å; V50-I99 HydrophobicContact CB-CD1 4.12Å; V50-I99 HydrophobicContact CB-CG1 4.39Å; V50-I99 HydrophobicContact CG1-CD1 4.11Å; V50-I99 HydrophobicContact CG1-CG1 4.29Å; V50-I99 HydrophobicContact CG2-CD1 3.48Å; V50-I99 VanDerWaalsContact CG2-CD1 3.48Å; V50-I99 HydrophobicContact CG2-CG1 4.22Å
51S90.4Very high92.9Very high73 Ų7352.1 Ų52.151%0.5127%0.273SS..Hα-helixtrans-69.5-42.1-176.871.70000110.7D49 T54 I55D49-S51 VanDerWaalsContact C-N 3.3Å; D49-S51 PolarHBondContact O-N 3.45Å; D49-S51 WeakPolarHBondContact OD1-CA 3.29Å; D49-S51 WeakPolarHBondContact OD1-CB 3.32Å; D49-S51 PolarHBondContact OD1-N 3.26Å; D49-S51 PolarHBondContact OD1-OG 3.5Å; S51-T54 PolarHBondContact O-N 3.46Å; S51-I55 VanDerWaalsContact O-CG1 3.32Å; S51-I55 WeakPolarHBondContact O-CG1 3.27Å; S51-I55 PolarHBondContact O-N 3.35Å; S51-I55 VanDerWaalsContact O-N 3.14Å
52F91.7Very high93Very high42 Ų4253.2 Ų53.218%0.18429%0.285CS..Hα-helixtrans-69.9-39.5176.8-164.2-120.6000112.1D42 H45 A46 D49 T54 I55 R56D42-F52 HydrophobicContact CB-CE1 4.36Å; H45-F52 HydrophobicContact CB-CD1 4.23Å; H45-F52 HydrophobicContact CB-CE1 4.17Å; H45-F52 AromaticContact CD2-CD1 3.36Å; H45-F52 WeakPolarHBondContact CD2-CD1 3.5Å; H45-F52 AromaticContact CD2-CE1 3.54Å; H45-F52 AromaticContact CD2-CG 3.85Å; H45-F52 AromaticContact CG-CD1 3.99Å; A46-F52 HydrophobicContact CB-CD1 3.79Å; A46-F52 HydrophobicContact CB-CE1 4.3Å; D49-F52 HydrophobicContact CB-CB 4Å; D49-F52 PolarHBondContact O-N 2.89Å; D49-F52 PolarHBondContact OD1-N 3.29Å; F52-T54 PolarHBondContact O-N 3.5Å; F52-I55 PolarHBondContact O-N 3.01Å; F52-R56 HydrophobicContact CE1-CG 4.43Å; F52-R56 VanDerWaalsContact CZ-NH2 3.31Å; F52-R56 WeakPolarHBondContact O-CG 3.36Å; F52-R56 PolarHBondContact O-N 3.34Å
53A92.5Very high93.1Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-58.3-45.317300000112.2A46 D49 V50 R56 F57 P98 I99A46-A53 WeakPolarHBondContact O-CB 3.36Å; D49-A53 WeakPolarHBondContact O-CB 3.26Å; D49-A53 PolarHBondContact O-N 2.94Å; V50-A53 PolarHBondContact O-N 2.91Å; A53-R56 PolarHBondContact O-N 3.02Å; A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 2.96Å; A53-P98 HydrophobicContact CB-CB 3.92Å; A53-I99 HydrophobicContact CB-CG1 4.32Å
54T92.7Very high93.2Very high49 Ų4950.8 Ų50.830%0.30127%0.271SS..Hα-helixtrans-65-41.9-179.9-54.90000111.4V50 S51 F52 F57 H58V50-T54 WeakPolarHBondContact O-CB 3.37Å; V50-T54 PolarHBondContact O-N 3.42Å; V50-T54 PolarHBondContact O-OG1 2.94Å; S51-T54 PolarHBondContact O-N 3.46Å; F52-T54 PolarHBondContact O-N 3.5Å; T54-F57 PolarHBondContact O-N 2.87Å; T54-H58 PolarHBondContact O-CD2 3.07Å; T54-H58 VanDerWaalsContact O-CD2 3.27Å; T54-H58 PolarHBondContact O-N 2.93Å
55I94.4Very high93.3Very high90 Ų9049 Ų4946%0.46226%0.264SS..Hα-helixtrans-60.3-49.7174.7-67.9166.8000110.1S51 F52 F57 H58 D59S51-I55 VanDerWaalsContact O-CG1 3.32Å; S51-I55 WeakPolarHBondContact O-CG1 3.27Å; S51-I55 PolarHBondContact O-N 3.35Å; S51-I55 VanDerWaalsContact O-N 3.14Å; F52-I55 PolarHBondContact O-N 3.01Å; I55-F57 VanDerWaalsContact C-N 3.31Å; I55-F57 PolarHBondContact O-N 3.07Å; I55-H58 PolarHBondContact O-N 3.25Å; I55-D59 VanDerWaalsContact O-CG 3.29Å; I55-D59 PolarHBondContact O-N 3.19Å
56R95.3Very high93.5Very high47 Ų4748.2 Ų48.218%0.17726%0.263CS..Hα-helixtrans-65.3-32.6-179.1-73.3-68.7174.5-85.4-7113.5W43 F52 A53 D59 L60W43-R56 HydrophobicContact CH2-CB 4.25Å; W43-R56 HydrophobicContact CZ3-CB 4Å; F52-R56 HydrophobicContact CE1-CG 4.43Å; F52-R56 VanDerWaalsContact CZ-NH2 3.31Å; F52-R56 WeakPolarHBondContact O-CG 3.36Å; F52-R56 PolarHBondContact O-N 3.34Å; A53-R56 PolarHBondContact O-N 3.02Å; R56-D59 IonicContact CZ-OD2 3.89Å; R56-D59 IonicContact NH1-OD2 2.85Å; R56-D59 PolarHBondContact NH1-OD2 3.26Å; R56-D59 PolarHBondContact O-N 3.4Å; R56-L60 WeakPolarHBondContact O-CB 3.39Å; R56-L60 PolarHBondContact O-N 2.86Å
57F94.9Very high93.5Very high1 Ų149 Ų490%0.00427%0.267CS..Hα-helixtrans-62.1-49.1172.7171.8-104.2000111.8A53 T54 I55 D59 L60 L61 L90 Q91 F94 Q95 P98 M101A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 2.96Å; T54-F57 PolarHBondContact O-N 2.87Å; I55-F57 VanDerWaalsContact C-N 3.31Å; I55-F57 PolarHBondContact O-N 3.07Å; F57-D59 PolarHBondContact O-N 2.97Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.17Å; F57-L61 HydrophobicContact CD1-CD1 4.18Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.47Å; F57-L61 HydrophobicContact CE2-CD1 4.41Å; F57-L61 HydrophobicContact CZ-CD1 3.77Å; F57-L61 HydrophobicContact CZ-CG 4.36Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 3.21Å; F57-L90 HydrophobicContact CD2-CD2 3.95Å; F57-L90 HydrophobicContact CE2-CD2 3.63Å; F57-Q91 HydrophobicContact CZ-CG 4.47Å; F57-F94 HydrophobicContact CD2-CB 4.5Å; F57-F94 HydrophobicContact CE2-CB 4.1Å; F57-Q95 HydrophobicContact CE1-CB 4.05Å; F57-Q95 HydrophobicContact CE1-CG 4.22Å; F57-Q95 HydrophobicContact CZ-CB 3.88Å; F57-P98 HydrophobicContact CB-CB 4.14Å; F57-M101 HydrophobicContact CB-CE 3.83Å; F57-M101 HydrophobicContact CD2-CE 4.08Å; F57-M101 HydrophobicContact CD2-SD 3.66Å; F57-M101 HydrophobicContact CE2-SD 4.47Å; F57-M101 HydrophobicContact CG-CE 4.47Å
58H94.8Very high93.7Very high104 Ų10452 Ų5248%0.48128%0.276SS..Hα-helixtrans-67-35.9177-73.2-61.7000112.9T54 I55 L60 L61 S62T54-H58 PolarHBondContact O-CD2 3.07Å; T54-H58 VanDerWaalsContact O-CD2 3.27Å; T54-H58 PolarHBondContact O-N 2.93Å; I55-H58 PolarHBondContact O-N 3.25Å; H58-L60 VanDerWaalsContact C-N 3.31Å; H58-L60 PolarHBondContact O-N 3.25Å; H58-L61 PolarHBondContact O-N 2.65Å; H58-S62 PolarHBondContact O-N 3.1Å
59D95.4Very high94Very high60 Ų6048.6 Ų48.632%0.32126%0.263SS..Hα-helixtrans-59.9-43.2172.3-67.5-30.1000111.1W37 I55 R56 F57 L61 S62 Q63W37-D59 HydrophobicContact CH2-CB 4.05Å; W37-D59 HydrophobicContact CZ2-CB 3.57Å; I55-D59 VanDerWaalsContact O-CG 3.29Å; I55-D59 PolarHBondContact O-N 3.19Å; R56-D59 IonicContact CZ-OD2 3.89Å; R56-D59 IonicContact NH1-OD2 2.85Å; R56-D59 PolarHBondContact NH1-OD2 3.26Å; R56-D59 PolarHBondContact O-N 3.4Å; F57-D59 PolarHBondContact O-N 2.97Å; D59-L61 PolarHBondContact O-N 3.47Å; D59-S62 WeakPolarHBondContact O-CB 3.42Å; D59-S62 PolarHBondContact O-N 3.19Å; D59-Q63 WeakPolarHBondContact O-CG 3.17Å; D59-Q63 PolarHBondContact O-N 2.91Å
60L95.4Very high94.1Very high0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-62.1-42.7177176.658.4000111.7I30 L34 W37 L38 R56 F57 H58 S62 Q63 L64 L90 M101 I105I30-L60 HydrophobicContact CG2-CD1 4.1Å; L34-L60 HydrophobicContact CD1-CD1 3.52Å; W37-L60 HydrophobicContact CE3-CD1 4.17Å; W37-L60 HydrophobicContact CH2-CB 3.87Å; W37-L60 HydrophobicContact CZ3-CB 3.83Å; W37-L60 HydrophobicContact CZ3-CD1 3.76Å; W37-L60 HydrophobicContact CZ3-CG 4.32Å; L38-L60 HydrophobicContact CD2-CD1 4.16Å; R56-L60 WeakPolarHBondContact O-CB 3.39Å; R56-L60 PolarHBondContact O-N 2.86Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.17Å; H58-L60 VanDerWaalsContact C-N 3.31Å; H58-L60 PolarHBondContact O-N 3.25Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-S62 PolarHBondContact O-N 3.06Å; L60-Q63 WeakPolarHBondContact O-CB 3.31Å; L60-Q63 PolarHBondContact O-N 3.03Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 2.81Å; L60-L90 HydrophobicContact CD2-CD1 3.64Å; L60-L90 HydrophobicContact CD2-CD2 4.42Å; L60-L90 HydrophobicContact CG-CD1 4.33Å; L60-M101 HydrophobicContact CD2-SD 3.84Å; L60-I105 HydrophobicContact CD2-CD1 4.28Å
61L94.9Very high94.3Very high10 Ų1048.3 Ų48.35%0.05225%0.249CC..Hα-helixtrans-62.6-39.1175.8-65.7177.9000112.2F57 H58 D59 L64 D65 K87 Q91F57-L61 HydrophobicContact CD1-CD1 4.18Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.47Å; F57-L61 HydrophobicContact CE2-CD1 4.41Å; F57-L61 HydrophobicContact CZ-CD1 3.77Å; F57-L61 HydrophobicContact CZ-CG 4.36Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 3.21Å; H58-L61 PolarHBondContact O-N 2.65Å; D59-L61 PolarHBondContact O-N 3.47Å; L61-L64 HydrophobicContact CD2-CD1 4.43Å; L61-L64 WeakPolarHBondContact O-CB 3.24Å; L61-L64 PolarHBondContact O-N 3.25Å; L61-D65 PolarHBondContact O-N 2.96Å; L61-D65 VanDerWaalsContact O-N 3.12Å; L61-K87 HydrophobicContact CD2-CG 3.79Å; L61-Q91 HydrophobicContact CD1-CG 3.8Å; L61-Q91 HydrophobicContact CD2-CG 3.57Å; L61-Q91 HydrophobicContact CG-CG 4.35Å
62S95.9Very high94.4Very high61 Ų6146.7 Ų46.743%0.42724%0.238SC..Hα-helixtrans-64.3-43174.6-174.50000111.4H58 D59 L60 L64 D65 D66H58-S62 PolarHBondContact O-N 3.1Å; D59-S62 WeakPolarHBondContact O-CB 3.42Å; D59-S62 PolarHBondContact O-N 3.19Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-S62 PolarHBondContact O-N 3.06Å; S62-L64 VanDerWaalsContact C-N 3.26Å; S62-L64 PolarHBondContact O-N 3.42Å; S62-D65 WeakPolarHBondContact O-CB 3.39Å; S62-D65 PolarHBondContact O-N 3.45Å; S62-D66 PolarHBondContact O-N 3.38Å
63Q96.4Very high94.5Very high44 Ų4451.8 Ų51.821%0.20627%0.266CS..Hα-helixtrans-60.8-34.2173.6-70.8-56.9-6600112.7L34 W37 D59 L60 D66 Q67L34-Q63 HydrophobicContact CD1-CB 3.91Å; L34-Q63 HydrophobicContact CD2-CB 3.74Å; L34-Q63 HydrophobicContact CG-CB 4.49Å; W37-Q63 HydrophobicContact CD2-CG 3.87Å; W37-Q63 HydrophobicContact CG-CG 3.94Å; W37-Q63 HydrophobicContact CZ2-CG 4.42Å; D59-Q63 WeakPolarHBondContact O-CG 3.17Å; D59-Q63 PolarHBondContact O-N 2.91Å; L60-Q63 WeakPolarHBondContact O-CB 3.31Å; L60-Q63 PolarHBondContact O-N 3.03Å; Q63-D66 PolarHBondContact O-N 2.88Å; Q63-Q67 VanDerWaalsContact O-CG 3.31Å; Q63-Q67 WeakPolarHBondContact O-CG 3.49Å; Q63-Q67 PolarHBondContact O-N 2.99Å
64L95.2Very high94.4Very high0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-68.7-34.3173.8-69.1170.6000112.5I30 L34 L60 L61 S62 Q67 Y68 I83 K87 L90I30-L64 HydrophobicContact CD1-CD1 4.03Å; I30-L64 HydrophobicContact CD1-CD2 4.19Å; I30-L64 HydrophobicContact CG1-CD2 3.99Å; I30-L64 HydrophobicContact CG2-CD2 4.36Å; L34-L64 HydrophobicContact CD1-CD2 3.62Å; L34-L64 HydrophobicContact CD1-CG 3.92Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 2.81Å; L61-L64 HydrophobicContact CD2-CD1 4.43Å; L61-L64 WeakPolarHBondContact O-CB 3.24Å; L61-L64 PolarHBondContact O-N 3.25Å; S62-L64 VanDerWaalsContact C-N 3.26Å; S62-L64 PolarHBondContact O-N 3.42Å; L64-Q67 PolarHBondContact O-N 3.15Å; L64-Y68 WeakPolarHBondContact O-CB 3.46Å; L64-Y68 PolarHBondContact O-N 2.91Å; L64-I83 HydrophobicContact CB-CG2 4.49Å; L64-I83 HydrophobicContact CD2-CD1 3.9Å; L64-I83 HydrophobicContact CD2-CG2 4.43Å; L64-K87 HydrophobicContact CB-CB 4.46Å; L64-K87 HydrophobicContact CB-CD 4.47Å; L64-K87 HydrophobicContact CB-CG 4.41Å; L64-K87 HydrophobicContact CD1-CB 3.94Å; L64-K87 HydrophobicContact CD1-CG 4.05Å; L64-L90 HydrophobicContact CD1-CD1 4.46Å
65D95.1Very high94.3Very high70 Ų7062.1 Ų62.137%0.37432%0.315SS..Hα-helixtrans-67.1-39.6173.9-72.2-35000112.2L61 S62 Y68 S69 K87L61-D65 PolarHBondContact O-N 2.96Å; L61-D65 VanDerWaalsContact O-N 3.12Å; S62-D65 WeakPolarHBondContact O-CB 3.39Å; S62-D65 PolarHBondContact O-N 3.45Å; D65-Y68 PolarHBondContact O-N 3.43Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 PolarHBondContact O-OG 3.44Å; D65-K87 IonicContact OD1-NZ 2.81Å; D65-K87 PolarHBondContact OD1-NZ 3.47Å; D65-K87 IonicContact OD2-NZ 3.95Å; D65-K87 PolarHBondContact OD2-NZ 3.42Å
66D94.9Very high94.2Very high72 Ų7260.5 Ų60.539%0.38531%0.308SS..Hα-helixtrans-61.4-44.6172.9-73.4-18.5000111S62 Q63 S69 R70S62-D66 PolarHBondContact O-N 3.38Å; Q63-D66 PolarHBondContact O-N 2.88Å; D66-S69 WeakPolarHBondContact O-CB 3.39Å; D66-S69 PolarHBondContact O-N 3.18Å; D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 3.42Å
67Q92.8Very high94.1Very high18 Ų1866 Ų668%0.08433%0.333CS..Hα-helixtrans-66.5-39.5177.1-69-65.2-9.700112.5Y33 L34 Q63 L64 S69 R70 F71Y33-Q67 PolarHBondContact O-NE2 3.25Å; Y33-Q67 VanDerWaalsContact O-NE2 3.15Å; L34-Q67 HydrophobicContact CD2-CG 3.55Å; L34-Q67 HydrophobicContact CG-CG 4.29Å; Q63-Q67 VanDerWaalsContact O-CG 3.31Å; Q63-Q67 WeakPolarHBondContact O-CG 3.49Å; Q63-Q67 PolarHBondContact O-N 2.99Å; L64-Q67 PolarHBondContact O-N 3.15Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 3.05Å; Q67-R70 WeakPolarHBondContact O-CB 3.47Å; Q67-R70 PolarHBondContact O-N 3.05Å; Q67-F71 WeakPolarHBondContact O-CD2 3.3Å; Q67-F71 PolarHBondContact O-N 2.93Å
68Y94.4Very high94Very high76 Ų7671.2 Ų71.230%0.29836%0.361SS..Hα-helixtrans-58.5-42173.6179.9-91.7000111.4L64 D65 F71 S72 Q80 R84L64-Y68 WeakPolarHBondContact O-CB 3.46Å; L64-Y68 PolarHBondContact O-N 2.91Å; D65-Y68 PolarHBondContact O-N 3.43Å; Y68-F71 PolarHBondContact O-N 3.45Å; Y68-S72 WeakPolarHBondContact O-CB 3.35Å; Y68-S72 PolarHBondContact O-N 3.16Å; Y68-S72 PolarHBondContact O-OG 2.81Å; Y68-Q80 HydrophobicContact CD2-CB 4.31Å; Y68-Q80 HydrophobicContact CE2-CB 3.88Å; Y68-Q80 HydrophobicContact CE2-CG 4.29Å; Y68-R84 HydrophobicContact CD2-CB 4.5Å; Y68-R84 HydrophobicContact CE2-CB 4.31Å
69S94.7Very high93.8Very high65 Ų6567.6 Ų67.646%0.45535%0.345SS..Hα-helixtrans-65.2-39.9176.9-58.10000111.9D65 D66 Q67 S72 L73D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 PolarHBondContact O-OG 3.44Å; D66-S69 WeakPolarHBondContact O-CB 3.39Å; D66-S69 PolarHBondContact O-N 3.18Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 3.05Å; S69-S72 WeakPolarHBondContact O-CB 3.45Å; S69-S72 PolarHBondContact O-N 3.17Å; S69-L73 PolarHBondContact O-N 3.46Å; S69-L73 VanDerWaalsContact O-N 3.09Å
70R93.7Very high93.7Very high123 Ų12366.3 Ų66.346%0.46434%0.337SS..Hα-helixtrans-61.1-46.6173.8-67.7171.8-165-1805111.9D66 Q67 S72 L73 E74D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 3.42Å; Q67-R70 WeakPolarHBondContact O-CB 3.47Å; Q67-R70 PolarHBondContact O-N 3.05Å; R70-S72 PolarHBondContact O-N 2.66Å; R70-L73 WeakPolarHBondContact O-CB 3.5Å; R70-L73 PolarHBondContact O-N 2.87Å; R70-L73 VanDerWaalsContact O-N 3.15Å; R70-E74 PolarHBondContact O-N 2.81Å
71F93.8Very high93.5Very high9 Ų971.3 Ų71.34%0.03936%0.36CS..Hα-helixtrans-67.5-24.4176.1-63.1-37.3000113.5Y33 Q67 Y68 N75 N76 L79 Q80 I83Y33-F71 HydrophobicContact CD1-CE1 4.48Å; Y33-F71 AromaticContact CD1-CZ 3.68Å; Y33-F71 HydrophobicContact CD1-CZ 3.68Å; Y33-F71 HydrophobicContact CD2-CE2 4.22Å; Y33-F71 HydrophobicContact CD2-CZ 4.01Å; Y33-F71 HydrophobicContact CE1-CE1 4.22Å; Y33-F71 AromaticContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE2-CE2 4.29Å; Y33-F71 AromaticContact CE2-CZ 3.96Å; Y33-F71 HydrophobicContact CE2-CZ 3.96Å; Y33-F71 HydrophobicContact CG-CE2 4.4Å; Y33-F71 AromaticContact CG-CZ 3.88Å; Y33-F71 HydrophobicContact CG-CZ 3.88Å; Y33-F71 AromaticContact CZ-CZ 3.78Å; Q67-F71 WeakPolarHBondContact O-CD2 3.3Å; Q67-F71 PolarHBondContact O-N 2.93Å; Y68-F71 PolarHBondContact O-N 3.45Å; F71-N75 PolarHBondContact O-N 3.27Å; F71-N76 PolarHBondContact O-N 3.31Å; F71-L79 HydrophobicContact CB-CB 4.39Å; F71-L79 HydrophobicContact CD1-CB 4.05Å; F71-L79 HydrophobicContact CD1-CD1 3.92Å; F71-L79 HydrophobicContact CD2-CB 3.64Å; F71-L79 HydrophobicContact CE1-CB 4.23Å; F71-L79 HydrophobicContact CE1-CD1 3.56Å; F71-L79 HydrophobicContact CE2-CB 3.81Å; F71-L79 HydrophobicContact CE2-CD1 4.35Å; F71-L79 HydrophobicContact CG-CB 3.78Å; F71-L79 HydrophobicContact CG-CD1 4.5Å; F71-L79 HydrophobicContact CZ-CB 4.11Å; F71-L79 HydrophobicContact CZ-CD1 3.8Å; F71-Q80 HydrophobicContact CB-CG 3.66Å; F71-Q80 PolarHBondContact O-NE2 2.91Å; F71-I83 HydrophobicContact CD2-CG1 3.95Å; F71-I83 HydrophobicContact CE2-CD1 4.42Å; F71-I83 HydrophobicContact CE2-CG1 3.59Å
72S92.6Very high93.4Very high40 Ų4072.7 Ų72.728%0.2837%0.367SS..Hα-helixtrans-67.1-41.7171.2-58.70000111.8Y68 S69 R70 E74 N75Y68-S72 WeakPolarHBondContact O-CB 3.35Å; Y68-S72 PolarHBondContact O-N 3.16Å; Y68-S72 PolarHBondContact O-OG 2.81Å; S69-S72 WeakPolarHBondContact O-CB 3.45Å; S69-S72 PolarHBondContact O-N 3.17Å; R70-S72 PolarHBondContact O-N 2.66Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 3.42Å; S72-N75 PolarHBondContact O-N 2.7Å; S72-N75 VanDerWaalsContact O-N 3.17Å
73L94.5Very high93.2Very high148 Ų14869.9 Ų69.978%0.77535%0.348SS*.Hα-helixtrans-63.9-36.4174.8-64.6172000112.3S69 R70 N75S69-L73 PolarHBondContact O-N 3.46Å; S69-L73 VanDerWaalsContact O-N 3.09Å; R70-L73 WeakPolarHBondContact O-CB 3.5Å; R70-L73 PolarHBondContact O-N 2.87Å; R70-L73 VanDerWaalsContact O-N 3.15Å; L73-N75 PolarHBondContact O-N 3.39Å
74E91.5Very high93Very high128 Ų12875 Ų7560%0.59837%0.365SS*.THydrogen-bonded Turntrans-79-4.4177.5-65.8174.8177.100113.5R70 S72 N76R70-E74 PolarHBondContact O-N 2.81Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 3.42Å; E74-N76 HydrophobicContact CB-CB 4.37Å; E74-N76 PolarHBondContact O-N 2.67Å; E74-N76 VanDerWaalsContact O-N 3.13Å
75N90.7Very high92.9Very high138 Ų13880.6 Ų80.674%0.73839%0.389SS*.THydrogen-bonded Turntrans51.628.9-170.9-61.9-64.1000113.5F71 S72 L73 F77F71-N75 PolarHBondContact O-N 3.27Å; S72-N75 PolarHBondContact O-N 2.7Å; S72-N75 VanDerWaalsContact O-N 3.17Å; L73-N75 PolarHBondContact O-N 3.39Å; N75-F77 PolarHBondContact O-N 2.78Å
76N91.3Very high92.7Very high56 Ų5677.6 Ų77.630%0.29937%0.373SS..  trans-81.384.1179.7-165.7-37.7000110.5F71 E74 L78 L79 Q80F71-N76 PolarHBondContact O-N 3.31Å; E74-N76 HydrophobicContact CB-CB 4.37Å; E74-N76 PolarHBondContact O-N 2.67Å; E74-N76 VanDerWaalsContact O-N 3.13Å; N76-L78 VanDerWaalsContact C-N 3.25Å; N76-L78 PolarHBondContact O-N 3.21Å; N76-L78 PolarHBondContact OD1-N 3.5Å; N76-L79 HydrophobicContact CB-CB 4.36Å; N76-L79 VanDerWaalsContact ND2-CD1 3.33Å; N76-L79 WeakPolarHBondContact ND2-CD1 3.46Å; N76-L79 PolarHBondContact O-N 2.97Å; N76-L79 WeakPolarHBondContact OD1-CG 3.17Å; N76-L79 PolarHBondContact OD1-N 2.89Å; N76-L79 VanDerWaalsContact OD1-N 3.12Å; N76-Q80 WeakPolarHBondContact O-CG 3.15Å; N76-Q80 PolarHBondContact O-N 2.61Å
77F93.1Very high92.6Very high163 Ų16375.9 Ų75.972%0.71536%0.363SS*.Hα-helixtrans-55.2-39.1-176.6-179.1-101000113.2N75 H81N75-F77 PolarHBondContact O-N 2.78Å; F77-H81 WeakPolarHBondContact O-CB 3.45Å; F77-H81 PolarHBondContact O-N 2.81Å
78L92.6Very high92.6Very high111 Ų11181.4 Ų81.458%0.58138%0.383SS*.Hα-helixtrans-64.5-50.5-179-179.363.5000111.2N76 H81 N82N76-L78 VanDerWaalsContact C-N 3.25Å; N76-L78 PolarHBondContact O-N 3.21Å; N76-L78 PolarHBondContact OD1-N 3.5Å; L78-H81 PolarHBondContact O-N 2.83Å; L78-N82 PolarHBondContact O-N 2.99Å; L78-N82 PolarHBondContact O-OD1 2.98Å
79L91.8Very high92.3Very high28 Ų2880 Ų8015%0.14738%0.38CS..Hα-helixtrans-70.1-34.1-178.5-63.3-176.6000112.4Y33 F71 N76 N82 I83Y33-L79 HydrophobicContact CE1-CD1 4.5Å; Y33-L79 HydrophobicContact CE2-CD2 4.12Å; Y33-L79 VanDerWaalsContact OH-CD1 3.26Å; Y33-L79 WeakPolarHBondContact OH-CD1 3.44Å; Y33-L79 WeakPolarHBondContact OH-CD2 3.4Å; F71-L79 HydrophobicContact CB-CB 4.39Å; F71-L79 HydrophobicContact CD1-CB 4.05Å; F71-L79 HydrophobicContact CD1-CD1 3.92Å; F71-L79 HydrophobicContact CD2-CB 3.64Å; F71-L79 HydrophobicContact CE1-CB 4.23Å; F71-L79 HydrophobicContact CE1-CD1 3.56Å; F71-L79 HydrophobicContact CE2-CB 3.81Å; F71-L79 HydrophobicContact CE2-CD1 4.35Å; F71-L79 HydrophobicContact CG-CB 3.78Å; F71-L79 HydrophobicContact CG-CD1 4.5Å; F71-L79 HydrophobicContact CZ-CB 4.11Å; F71-L79 HydrophobicContact CZ-CD1 3.8Å; N76-L79 HydrophobicContact CB-CB 4.36Å; N76-L79 VanDerWaalsContact ND2-CD1 3.33Å; N76-L79 WeakPolarHBondContact ND2-CD1 3.46Å; N76-L79 PolarHBondContact O-N 2.97Å; N76-L79 WeakPolarHBondContact OD1-CG 3.17Å; N76-L79 PolarHBondContact OD1-N 2.89Å; N76-L79 VanDerWaalsContact OD1-N 3.12Å; L79-N82 PolarHBondContact O-N 3.19Å; L79-I83 WeakPolarHBondContact O-CB 3.17Å; L79-I83 PolarHBondContact O-N 3.33Å
80Q92.4Very high92Very high32 Ų3277 Ų7715%0.1536%0.359CS..Hα-helixtrans-59.2-47.5171-73.8174.746.800111.5Y68 F71 N76 R84Y68-Q80 HydrophobicContact CD2-CB 4.31Å; Y68-Q80 HydrophobicContact CE2-CB 3.88Å; Y68-Q80 HydrophobicContact CE2-CG 4.29Å; F71-Q80 HydrophobicContact CB-CG 3.66Å; F71-Q80 PolarHBondContact O-NE2 2.91Å; N76-Q80 WeakPolarHBondContact O-CG 3.15Å; N76-Q80 PolarHBondContact O-N 2.61Å; Q80-R84 VanDerWaalsContact O-CB 3.27Å; Q80-R84 WeakPolarHBondContact O-CB 3.34Å; Q80-R84 PolarHBondContact O-N 3.17Å; Q80-R84 VanDerWaalsContact O-N 3.07Å
81H91.4Very high91.9Very high105 Ų10573.9 Ų73.949%0.48635%0.35SS..Hα-helixtrans-62.8-46.1178.3177.1-86.2000111.7F77 L78 R84 K85F77-H81 WeakPolarHBondContact O-CB 3.45Å; F77-H81 PolarHBondContact O-N 2.81Å; L78-H81 PolarHBondContact O-N 2.83Å; H81-R84 PolarHBondContact O-N 3.25Å; H81-K85 PolarHBondContact O-N 2.9Å
82N91.8Very high91.6Very high39 Ų3979.1 Ų79.121%0.20938%0.378CS..Hα-helixtrans-64.6-49.9-179.3-74.510.1000112.1E29 L78 L79 R84 K85 S86E29-N82 PolarHBondContact OE1-ND2 3Å; L78-N82 PolarHBondContact O-N 2.99Å; L78-N82 PolarHBondContact O-OD1 2.98Å; L79-N82 PolarHBondContact O-N 3.19Å; N82-R84 VanDerWaalsContact C-N 3.26Å; N82-R84 PolarHBondContact O-N 3.43Å; N82-K85 WeakPolarHBondContact O-CB 3.36Å; N82-K85 PolarHBondContact O-N 3.39Å; N82-K85 VanDerWaalsContact O-N 3.08Å; N82-S86 WeakPolarHBondContact O-CB 3.46Å; N82-S86 PolarHBondContact O-N 3.45Å; N82-S86 PolarHBondContact O-OG 2.74Å; N82-S86 VanDerWaalsContact O-OG 3.13Å
83I92.6Very high91.3Very high3 Ų381.4 Ų81.42%0.01539%0.387CS..Hα-helixtrans-58.5-40.1176.4-77.6-62.5000111.7Y33 L64 F71 L79 K85 S86 K87Y33-I83 HydrophobicContact CD2-CD1 4.24Å; L64-I83 HydrophobicContact CB-CG2 4.49Å; L64-I83 HydrophobicContact CD2-CD1 3.9Å; L64-I83 HydrophobicContact CD2-CG2 4.43Å; F71-I83 HydrophobicContact CD2-CG1 3.95Å; F71-I83 HydrophobicContact CE2-CD1 4.42Å; F71-I83 HydrophobicContact CE2-CG1 3.59Å; L79-I83 WeakPolarHBondContact O-CB 3.17Å; L79-I83 PolarHBondContact O-N 3.33Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 2.69Å; I83-S86 PolarHBondContact O-N 3.46Å; I83-K87 WeakPolarHBondContact O-CB 3.47Å; I83-K87 PolarHBondContact O-N 3.27Å
84R92.9Very high91.2Very high152 Ų15274.7 Ų74.757%0.57435%0.352SS*.Hα-helixtrans-61.9-40.9177.2-174177.6-176.4179.82.1112Y68 Q80 H81 N82 R88Y68-R84 HydrophobicContact CD2-CB 4.5Å; Y68-R84 HydrophobicContact CE2-CB 4.31Å; Q80-R84 VanDerWaalsContact O-CB 3.27Å; Q80-R84 WeakPolarHBondContact O-CB 3.34Å; Q80-R84 PolarHBondContact O-N 3.17Å; Q80-R84 VanDerWaalsContact O-N 3.07Å; H81-R84 PolarHBondContact O-N 3.25Å; N82-R84 VanDerWaalsContact C-N 3.26Å; N82-R84 PolarHBondContact O-N 3.43Å; R84-R88 PolarHBondContact O-N 3.03Å
85K92.7Very high91.1Very high117 Ų11773.4 Ų73.451%0.50935%0.346SS..Hα-helixtrans-68.2-47.7175.8-171.6-173.8177-1660111.1H81 N82 I83 K87 R88 N89H81-K85 PolarHBondContact O-N 2.9Å; N82-K85 WeakPolarHBondContact O-CB 3.36Å; N82-K85 PolarHBondContact O-N 3.39Å; N82-K85 VanDerWaalsContact O-N 3.08Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 2.69Å; K85-K87 VanDerWaalsContact C-N 3.32Å; K85-K87 PolarHBondContact O-N 3.47Å; K85-R88 PolarHBondContact O-N 2.8Å; K85-R88 VanDerWaalsContact O-N 3.12Å; K85-N89 PolarHBondContact O-N 3.14Å; K85-N89 PolarHBondContact O-OD1 2.86Å
86S91.4Very high91Very high6 Ų675.2 Ų75.24%0.04235%0.35CS..Hα-helixtrans-62.4-38.4-179-63.90000111.5E29 N82 I83 L90E29-S86 PolarHBondContact OE2-OG 2.81Å; N82-S86 WeakPolarHBondContact O-CB 3.46Å; N82-S86 PolarHBondContact O-N 3.45Å; N82-S86 PolarHBondContact O-OG 2.74Å; N82-S86 VanDerWaalsContact O-OG 3.13Å; I83-S86 PolarHBondContact O-N 3.46Å; S86-L90 WeakPolarHBondContact O-CB 3.5Å; S86-L90 PolarHBondContact O-N 3.36Å
87K92.8Very high90.9Very high37 Ų3775.5 Ų75.516%0.16135%0.352CS..Hα-helixtrans-60.2-49.7170.4-173.2-174.3-177.5-174.90112L61 L64 D65 I83 K85 L90 Q91L61-K87 HydrophobicContact CD2-CG 3.79Å; L64-K87 HydrophobicContact CB-CB 4.46Å; L64-K87 HydrophobicContact CB-CD 4.47Å; L64-K87 HydrophobicContact CB-CG 4.41Å; L64-K87 HydrophobicContact CD1-CB 3.94Å; L64-K87 HydrophobicContact CD1-CG 4.05Å; D65-K87 IonicContact OD1-NZ 2.81Å; D65-K87 PolarHBondContact OD1-NZ 3.47Å; D65-K87 IonicContact OD2-NZ 3.95Å; D65-K87 PolarHBondContact OD2-NZ 3.42Å; I83-K87 WeakPolarHBondContact O-CB 3.47Å; I83-K87 PolarHBondContact O-N 3.27Å; K85-K87 VanDerWaalsContact C-N 3.32Å; K85-K87 PolarHBondContact O-N 3.47Å; K87-L90 PolarHBondContact O-N 2.89Å; K87-Q91 WeakPolarHBondContact O-CG 3.34Å; K87-Q91 PolarHBondContact O-N 3.44Å
88R91.6Very high90.7Very high134 Ų13468.2 Ų68.251%0.50632%0.32SS..Hα-helixtrans-60.1-47179.6-177.1-177.2-67.5161.1-4.2111.5R84 K85 L90 Q91 D92R84-R88 PolarHBondContact O-N 3.03Å; K85-R88 PolarHBondContact O-N 2.8Å; K85-R88 VanDerWaalsContact O-N 3.12Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.07Å; R88-Q91 WeakPolarHBondContact O-CB 2.89Å; R88-Q91 PolarHBondContact O-N 3.22Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; R88-D92 WeakPolarHBondContact CG-OD2 3.49Å; R88-D92 PolarHBondContact O-N 3.19Å
89N88.9Confident90.6Very high45 Ų4565.4 Ų65.424%0.24131%0.306CS..Hα-helixtrans-58.4-41.6177-76.612.8000111.9K85 Q91 N93K85-N89 PolarHBondContact O-N 3.14Å; K85-N89 PolarHBondContact O-OD1 2.86Å; N89-Q91 VanDerWaalsContact C-N 3.34Å; N89-N93 VanDerWaalsContact O-CB 3.28Å; N89-N93 WeakPolarHBondContact O-CB 3.23Å; N89-N93 VanDerWaalsContact O-CG 3.26Å; N89-N93 PolarHBondContact O-N 2.95Å; N89-N93 VanDerWaalsContact O-N 3.12Å; N89-N93 PolarHBondContact O-ND2 2.99Å
90L88.9Confident90.5Very high2 Ų268.9 Ų68.91%0.0132%0.321CS..Hα-helixtrans-64.6-41177.3-134.5166.3000111.3I30 F57 L60 L64 S86 K87 R88 F94 M101I30-L90 HydrophobicContact CD1-CD1 3.56Å; F57-L90 HydrophobicContact CD2-CD2 3.95Å; F57-L90 HydrophobicContact CE2-CD2 3.63Å; L60-L90 HydrophobicContact CD2-CD1 3.64Å; L60-L90 HydrophobicContact CD2-CD2 4.42Å; L60-L90 HydrophobicContact CG-CD1 4.33Å; L64-L90 HydrophobicContact CD1-CD1 4.46Å; S86-L90 WeakPolarHBondContact O-CB 3.5Å; S86-L90 PolarHBondContact O-N 3.36Å; K87-L90 PolarHBondContact O-N 2.89Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.07Å; L90-F94 HydrophobicContact CD2-CB 4.27Å; L90-F94 HydrophobicContact CD2-CD2 3.61Å; L90-F94 HydrophobicContact CD2-CE2 4.39Å; L90-F94 HydrophobicContact CD2-CG 4.33Å; L90-F94 HydrophobicContact CG-CD2 4.12Å; L90-F94 WeakPolarHBondContact O-CD2 3.06Å; L90-F94 PolarHBondContact O-N 2.97Å; L90-F94 VanDerWaalsContact O-N 3.1Å; L90-M101 HydrophobicContact CD2-CG 4.02Å; L90-M101 HydrophobicContact CD2-SD 3.4Å; L90-M101 WeakPolarHBondContact CD2-SD 3.32Å
91Q89.7Confident90.5Very high58 Ų5867.4 Ų67.427%0.27131%0.314SS..Hα-helixtrans-61.6-54.7175.9-70.9-180-57.700111.8F57 L61 K87 R88 N89 N93 Q95F57-Q91 HydrophobicContact CZ-CG 4.47Å; L61-Q91 HydrophobicContact CD1-CG 3.8Å; L61-Q91 HydrophobicContact CD2-CG 3.57Å; L61-Q91 HydrophobicContact CG-CG 4.35Å; K87-Q91 WeakPolarHBondContact O-CG 3.34Å; K87-Q91 PolarHBondContact O-N 3.44Å; R88-Q91 WeakPolarHBondContact O-CB 2.89Å; R88-Q91 PolarHBondContact O-N 3.22Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; N89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-N93 VanDerWaalsContact C-N 3.26Å; Q91-N93 PolarHBondContact O-N 3.49Å; Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 PolarHBondContact O-N 3.43Å
92D89.1Confident90.6Very high119 Ų11962.4 Ų62.464%0.63629%0.291SS*.Hα-helixtrans-64.2-31.5-174.9-62.3-19.3000112.4R88R88-D92 WeakPolarHBondContact CG-OD2 3.49Å; R88-D92 PolarHBondContact O-N 3.19Å
93N86.6Confident90.5Very high88 Ų8864.8 Ų64.847%0.47130%0.302SS..Hα-helixtrans-88.9-29.6-175.8-71.2-22.4000114.7N89 Q91N89-N93 VanDerWaalsContact O-CB 3.28Å; N89-N93 WeakPolarHBondContact O-CB 3.23Å; N89-N93 VanDerWaalsContact O-CG 3.26Å; N89-N93 PolarHBondContact O-N 2.95Å; N89-N93 VanDerWaalsContact O-N 3.12Å; N89-N93 PolarHBondContact O-ND2 2.99Å; Q91-N93 VanDerWaalsContact C-N 3.26Å; Q91-N93 PolarHBondContact O-N 3.49Å
94F91.1Very high90.4Very high8 Ų866.2 Ų66.24%0.03531%0.309CS..Hα-helixtrans-130.8-0.5-167.3-54.9-72.1000114.9S25 F57 L90 E96 D97 P98 Q100 M101 I104S25-F94 WeakPolarHBondContact O-CE2 3.29Å; S25-F94 WeakPolarHBondContact O-CZ 3.4Å; F57-F94 HydrophobicContact CD2-CB 4.5Å; F57-F94 HydrophobicContact CE2-CB 4.1Å; L90-F94 HydrophobicContact CD2-CB 4.27Å; L90-F94 HydrophobicContact CD2-CD2 3.61Å; L90-F94 HydrophobicContact CD2-CE2 4.39Å; L90-F94 HydrophobicContact CD2-CG 4.33Å; L90-F94 HydrophobicContact CG-CD2 4.12Å; L90-F94 WeakPolarHBondContact O-CD2 3.06Å; L90-F94 PolarHBondContact O-N 2.97Å; L90-F94 VanDerWaalsContact O-N 3.1Å; F94-E96 PolarHBondContact O-N 3.31Å; F94-D97 CarbonylContact O-C 3.13Å; F94-D97 PolarHBondContact O-N 3.43Å; F94-P98 WeakPolarHBondContact O-CA 3.47Å; F94-P98 WeakPolarHBondContact O-CD 3.44Å; F94-P98 VanDerWaalsContact O-N 3.1Å; F94-Q100 HydrophobicContact CD1-CB 4.49Å; F94-Q100 HydrophobicContact CE1-CG 4.26Å; F94-M101 HydrophobicContact CB-CB 3.84Å; F94-M101 HydrophobicContact CB-CG 4.47Å; F94-M101 HydrophobicContact CD1-CB 3.73Å; F94-M101 HydrophobicContact CD2-CB 4.3Å; F94-M101 HydrophobicContact CD2-CG 4.37Å; F94-M101 HydrophobicContact CE1-CB 4.34Å; F94-M101 HydrophobicContact CG-CB 3.69Å; F94-M101 HydrophobicContact CG-CG 4.24Å; F94-I104 HydrophobicContact CE1-CD1 3.58Å; F94-I104 HydrophobicContact CZ-CD1 3.67Å
95Q90.2Very high90.5Very high101 Ų10159 Ų5947%0.47228%0.282SS..SBendtrans-61.9-35.8176-178.9172.7-40.300112.1F57 Q91F57-Q95 HydrophobicContact CE1-CB 4.05Å; F57-Q95 HydrophobicContact CE1-CG 4.22Å; F57-Q95 HydrophobicContact CZ-CB 3.88Å; Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 PolarHBondContact O-N 3.43Å
96E87.8Confident90.5Very high175 Ų17555 Ų5582%0.81826%0.264SS*.SBendtrans-86.7-18.5177.3-58.8-59.213300113F94F94-E96 PolarHBondContact O-N 3.31Å
97D89Confident90.5Very high63 Ų6357.7 Ų57.734%0.33728%0.278SS..  trans-138.176.8174.8-169.6-5.6000112.9F94 I99 Q100F94-D97 CarbonylContact O-C 3.13Å; F94-D97 PolarHBondContact O-N 3.43Å; D97-I99 PolarHBondContact O-N 3.38Å; D97-I99 WeakPolarHBondContact OD1-CB 3.38Å; D97-I99 PolarHBondContact OD1-N 3.03Å; D97-Q100 HydrophobicContact CB-CB 4.36Å; D97-Q100 PolarHBondContact O-N 2.99Å; D97-Q100 PolarHBondContact OD1-N 3.01Å; D97-Q100 VanDerWaalsContact OD1-N 3.09Å; D97-Q100 WeakPolarHBondContact OD2-CB 3.43Å
98P90Very high90.5Very high9 Ų956.5 Ų56.56%0.05827%0.274CS..Hα-helixtrans-67.6-18.4177.9-23.435.7000114.1A53 F57 F94 S102A53-P98 HydrophobicContact CB-CB 3.92Å; F57-P98 HydrophobicContact CB-CB 4.14Å; F94-P98 WeakPolarHBondContact O-CA 3.47Å; F94-P98 WeakPolarHBondContact O-CD 3.44Å; F94-P98 VanDerWaalsContact O-N 3.1Å; P98-S102 PolarHBondContact O-N 3.35Å; P98-S102 VanDerWaalsContact O-N 3.09Å; P98-S102 PolarHBondContact O-OG 3.49Å
99I90.6Very high90.6Very high53 Ų5350.6 Ų50.627%0.27225%0.252SS..Hα-helixtrans-70.8-45.4-179.8-55169.9000109A47 V50 A53 D97 M101 S102 M103A47-I99 VanDerWaalsContact O-CG2 3.23Å; A47-I99 WeakPolarHBondContact O-CG2 3.45Å; V50-I99 HydrophobicContact CB-CD1 4.12Å; V50-I99 HydrophobicContact CB-CG1 4.39Å; V50-I99 HydrophobicContact CG1-CD1 4.11Å; V50-I99 HydrophobicContact CG1-CG1 4.29Å; V50-I99 HydrophobicContact CG2-CD1 3.48Å; V50-I99 VanDerWaalsContact CG2-CD1 3.48Å; V50-I99 HydrophobicContact CG2-CG1 4.22Å; A53-I99 HydrophobicContact CB-CG1 4.32Å; D97-I99 PolarHBondContact O-N 3.38Å; D97-I99 WeakPolarHBondContact OD1-CB 3.38Å; D97-I99 PolarHBondContact OD1-N 3.03Å; I99-M101 VanDerWaalsContact C-N 3.29Å; I99-M101 PolarHBondContact O-N 3.26Å; I99-S102 WeakPolarHBondContact O-CB 3.36Å; I99-S102 PolarHBondContact O-N 2.69Å; I99-S102 VanDerWaalsContact O-N 3.11Å; I99-M103 PolarHBondContact O-N 2.98Å
100Q88.3Confident90.8Very high100 Ų10052.1 Ų52.147%0.46726%0.257SS..Hα-helixtrans-57.7-43175.8-175.2179.8-4.700111.5F94 D97 S102 M103 I104F94-Q100 HydrophobicContact CD1-CB 4.49Å; F94-Q100 HydrophobicContact CE1-CG 4.26Å; D97-Q100 HydrophobicContact CB-CB 4.36Å; D97-Q100 PolarHBondContact O-N 2.99Å; D97-Q100 PolarHBondContact OD1-N 3.01Å; D97-Q100 VanDerWaalsContact OD1-N 3.09Å; D97-Q100 WeakPolarHBondContact OD2-CB 3.43Å; Q100-S102 PolarHBondContact O-N 2.66Å; Q100-M103 PolarHBondContact O-N 2.82Å; Q100-I104 HydrophobicContact CG-CD1 4.2Å; Q100-I104 VanDerWaalsContact O-CG1 3.31Å; Q100-I104 WeakPolarHBondContact O-CG1 3.49Å; Q100-I104 PolarHBondContact O-N 3.08Å
101M93.6Very high90.9Very high1 Ų155.4 Ų55.41%0.00527%0.272CS..Hα-helixtrans-58.5-48.6174-177.7-157.759.700111.5W43 F57 L60 L90 F94 I99 M103 I104 I105W43-M101 HydrophobicContact CZ3-CE 3.95Å; F57-M101 HydrophobicContact CB-CE 3.83Å; F57-M101 HydrophobicContact CD2-CE 4.08Å; F57-M101 HydrophobicContact CD2-SD 3.66Å; F57-M101 HydrophobicContact CE2-SD 4.47Å; F57-M101 HydrophobicContact CG-CE 4.47Å; L60-M101 HydrophobicContact CD2-SD 3.84Å; L90-M101 HydrophobicContact CD2-CG 4.02Å; L90-M101 HydrophobicContact CD2-SD 3.4Å; L90-M101 WeakPolarHBondContact CD2-SD 3.32Å; F94-M101 HydrophobicContact CB-CB 3.84Å; F94-M101 HydrophobicContact CB-CG 4.47Å; F94-M101 HydrophobicContact CD1-CB 3.73Å; F94-M101 HydrophobicContact CD2-CB 4.3Å; F94-M101 HydrophobicContact CD2-CG 4.37Å; F94-M101 HydrophobicContact CE1-CB 4.34Å; F94-M101 HydrophobicContact CG-CB 3.69Å; F94-M101 HydrophobicContact CG-CG 4.24Å; I99-M101 VanDerWaalsContact C-N 3.29Å; I99-M101 PolarHBondContact O-N 3.26Å; M101-M103 VanDerWaalsContact C-N 3.27Å; M101-M103 PolarHBondContact O-N 3.38Å; M101-I104 WeakPolarHBondContact O-CB 3.34Å; M101-I104 PolarHBondContact O-N 3.29Å; M101-I104 VanDerWaalsContact O-N 3.12Å; M101-I105 HydrophobicContact CE-CD1 4.31Å; M101-I105 HydrophobicContact CG-CD1 3.85Å; M101-I105 HydrophobicContact CG-CG1 4.4Å; M101-I105 WeakPolarHBondContact O-CG1 3.37Å; M101-I105 PolarHBondContact O-N 2.94Å; M101-I105 HydrophobicContact SD-CD1 4.06Å
102S93Very high91.1Very high0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-60.9-39.1-178.7-59.50000111.6P98 I99 Q100 I105 Y106P98-S102 PolarHBondContact O-N 3.35Å; P98-S102 VanDerWaalsContact O-N 3.09Å; P98-S102 PolarHBondContact O-OG 3.49Å; I99-S102 WeakPolarHBondContact O-CB 3.36Å; I99-S102 PolarHBondContact O-N 2.69Å; I99-S102 VanDerWaalsContact O-N 3.11Å; Q100-S102 PolarHBondContact O-N 2.66Å; S102-I105 PolarHBondContact O-N 3.02Å; S102-Y106 VanDerWaalsContact O-CB 3.3Å; S102-Y106 WeakPolarHBondContact O-CB 3.23Å; S102-Y106 PolarHBondContact O-N 3.5Å
103M89.9Confident91.3Very high89 Ų8952.2 Ų52.244%0.43825%0.249SC..Hα-helixtrans-65.1-41.1174.4-169.661.1171.100112.3A47 I99 Q100 M101 Y106 N107A47-M103 HydrophobicContact CB-CB 4.31Å; A47-M103 HydrophobicContact CB-SD 4.05Å; I99-M103 PolarHBondContact O-N 2.98Å; Q100-M103 PolarHBondContact O-N 2.82Å; M101-M103 VanDerWaalsContact C-N 3.27Å; M101-M103 PolarHBondContact O-N 3.38Å; M103-Y106 HydrophobicContact SD-CD1 4.48Å; M103-N107 WeakPolarHBondContact O-CB 3.28Å; M103-N107 PolarHBondContact O-N 2.97Å; M103-N107 PolarHBondContact O-ND2 2.95Å; M103-N107 VanDerWaalsContact O-ND2 3.08Å
104I90.8Very high91.6Very high33 Ų3352.2 Ų52.217%0.16924%0.244CC..Hα-helixtrans-61.3-52.3175.4-69.5165.7000110.1F26 F94 Q100 M101 Y106 N107 C108F26-I104 HydrophobicContact CB-CG2 3.75Å; F26-I104 HydrophobicContact CG-CG2 4.37Å; F94-I104 HydrophobicContact CE1-CD1 3.58Å; F94-I104 HydrophobicContact CZ-CD1 3.67Å; Q100-I104 HydrophobicContact CG-CD1 4.2Å; Q100-I104 VanDerWaalsContact O-CG1 3.31Å; Q100-I104 WeakPolarHBondContact O-CG1 3.49Å; Q100-I104 PolarHBondContact O-N 3.08Å; M101-I104 WeakPolarHBondContact O-CB 3.34Å; M101-I104 PolarHBondContact O-N 3.29Å; M101-I104 VanDerWaalsContact O-N 3.12Å; I104-Y106 VanDerWaalsContact C-N 3.33Å; I104-Y106 PolarHBondContact O-N 3.28Å; I104-N107 PolarHBondContact O-N 3.46Å; I104-C108 PolarHBondContact O-N 3.45Å; I104-C108 PolarHBondContact O-SG 3.45Å
105I93.7Very high91.5Very high1 Ų152.3 Ų52.31%0.00525%0.245CC..Hα-helixtrans-61.6-43.3-178.3-61.4170.7000110.7F26 L38 W43 L60 M101 S102 N107 C108 L109F26-I105 HydrophobicContact CD2-CD1 4.46Å; F26-I105 HydrophobicContact CD2-CG1 4.03Å; F26-I105 HydrophobicContact CE1-CG1 4.26Å; F26-I105 HydrophobicContact CE2-CD1 3.82Å; F26-I105 HydrophobicContact CE2-CG1 3.67Å; F26-I105 HydrophobicContact CG-CG1 4.49Å; F26-I105 HydrophobicContact CZ-CD1 4.17Å; F26-I105 HydrophobicContact CZ-CG1 3.8Å; L38-I105 HydrophobicContact CD2-CD1 4.34Å; L38-I105 HydrophobicContact CD2-CG2 4.33Å; W43-I105 HydrophobicContact CD2-CB 4.01Å; W43-I105 HydrophobicContact CD2-CD1 4.4Å; W43-I105 HydrophobicContact CD2-CG2 3.65Å; W43-I105 HydrophobicContact CE3-CB 4.26Å; W43-I105 HydrophobicContact CE3-CD1 4.1Å; W43-I105 HydrophobicContact CE3-CG2 4.34Å; W43-I105 HydrophobicContact CG-CB 4.29Å; W43-I105 HydrophobicContact CG-CG2 3.81Å; W43-I105 HydrophobicContact CH2-CD1 3.71Å; W43-I105 HydrophobicContact CZ2-CD1 4.03Å; W43-I105 HydrophobicContact CZ2-CG2 4.13Å; W43-I105 HydrophobicContact CZ3-CD1 3.75Å; L60-I105 HydrophobicContact CD2-CD1 4.28Å; M101-I105 HydrophobicContact CE-CD1 4.31Å; M101-I105 HydrophobicContact CG-CD1 3.85Å; M101-I105 HydrophobicContact CG-CG1 4.4Å; M101-I105 WeakPolarHBondContact O-CG1 3.37Å; M101-I105 PolarHBondContact O-N 2.94Å; M101-I105 HydrophobicContact SD-CD1 4.06Å; S102-I105 PolarHBondContact O-N 3.02Å; I105-N107 PolarHBondContact O-N 3.39Å; I105-C108 PolarHBondContact O-N 3.2Å; I105-L109 HydrophobicContact CG2-CD1 4.05Å; I105-L109 HydrophobicContact CG2-CG 4.41Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 2.98Å
106Y93.9Very high91.5Very high34 Ų3448.3 Ų48.313%0.13323%0.227CC..Hα-helixtrans-57.5-50175.3173.7-104.6000111.9W43 E44 S102 M103 I104 L109 K110W43-Y106 HydrophobicContact CB-CD2 4.47Å; E44-Y106 HydrophobicContact CB-CD2 3.86Å; E44-Y106 HydrophobicContact CB-CE2 3.59Å; E44-Y106 HydrophobicContact CG-CD2 4.48Å; E44-Y106 HydrophobicContact CG-CE2 3.86Å; E44-Y106 VanDerWaalsContact OE2-CE2 3.22Å; E44-Y106 WeakPolarHBondContact OE2-CE2 3.32Å; E44-Y106 PolarHBondContact OE2-OH 2.94Å; S102-Y106 VanDerWaalsContact O-CB 3.3Å; S102-Y106 WeakPolarHBondContact O-CB 3.23Å; S102-Y106 PolarHBondContact O-N 3.5Å; M103-Y106 HydrophobicContact SD-CD1 4.48Å; I104-Y106 VanDerWaalsContact C-N 3.33Å; I104-Y106 PolarHBondContact O-N 3.28Å; Y106-L109 PolarHBondContact O-N 3.5Å; Y106-K110 HydrophobicContact CE1-CD 3.85Å; Y106-K110 VanDerWaalsContact O-CB 3.24Å; Y106-K110 WeakPolarHBondContact O-CB 3.42Å; Y106-K110 PolarHBondContact O-N 3.21Å; Y106-K110 PolarHBondContact OH-NZ 3.41Å
107N91.1Very high91.7Very high62 Ų6244.9 Ų44.933%0.33221%0.211SC..Hα-helixtrans-64.6-43.5-179.1-72.1-29.9000111.6M103 I104 I105 K110 E111M103-N107 WeakPolarHBondContact O-CB 3.28Å; M103-N107 PolarHBondContact O-N 2.97Å; M103-N107 PolarHBondContact O-ND2 2.95Å; M103-N107 VanDerWaalsContact O-ND2 3.08Å; I104-N107 PolarHBondContact O-N 3.46Å; I105-N107 PolarHBondContact O-N 3.39Å; N107-K110 PolarHBondContact O-N 2.83Å; N107-E111 WeakPolarHBondContact O-CG 3.32Å; N107-E111 PolarHBondContact O-N 3.22Å
108C92.8Very high91.6Very high12 Ų1245.8 Ų45.88%0.08122%0.216CC..Hα-helixtrans-57.5-52175.9-69.90000111.4Y22 I104 I105 K110 E111 E112Y22-C108 HydrophobicContact CE1-CB 4.42Å; I104-C108 PolarHBondContact O-N 3.45Å; I104-C108 PolarHBondContact O-SG 3.45Å; I105-C108 PolarHBondContact O-N 3.2Å; C108-K110 VanDerWaalsContact C-N 3.27Å; C108-K110 PolarHBondContact O-N 2.94Å; C108-E111 PolarHBondContact O-N 3.04Å; C108-E112 WeakPolarHBondContact O-CG 3.41Å; C108-E112 PolarHBondContact O-N 2.79Å
109L94.4Very high91.4Very high9 Ų945.3 Ų45.35%0.04721%0.213CC..Hα-helixtrans-63.7-33179.3-68.2177.1000112.5Q3 E39 I105 Y106 E112 R113Q3-L109 PolarHBondContact NE2-O 2.99Å; E39-L109 HydrophobicContact CG-CD2 4.3Å; I105-L109 HydrophobicContact CG2-CD1 4.05Å; I105-L109 HydrophobicContact CG2-CG 4.41Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 2.98Å; Y106-L109 PolarHBondContact O-N 3.5Å; L109-E112 WeakPolarHBondContact CD2-OE2 3.35Å; L109-R113 PolarHBondContact O-N 2.9Å
110K93.3Very high91Very high78 Ų7848.3 Ų48.334%0.33923%0.226SC..Hα-helixtrans-70.1-43.9176.3-174.2176-173.7166.80112.2Y106 N107 C108 R113 K114Y106-K110 HydrophobicContact CE1-CD 3.85Å; Y106-K110 VanDerWaalsContact O-CB 3.24Å; Y106-K110 WeakPolarHBondContact O-CB 3.42Å; Y106-K110 PolarHBondContact O-N 3.21Å; Y106-K110 PolarHBondContact OH-NZ 3.41Å; N107-K110 PolarHBondContact O-N 2.83Å; C108-K110 VanDerWaalsContact C-N 3.27Å; C108-K110 PolarHBondContact O-N 2.94Å; K110-R113 PolarHBondContact O-N 2.97Å; K110-K114 PolarHBondContact O-N 2.99Å
111E90.8Very high90.6Very high70 Ų7051.4 Ų51.433%0.32723%0.233SC..Hα-helixtrans-65.7-39175-69.5-52.3132.600111.5L21 N107 C108 R113 K114 I115L21-E111 HydrophobicContact CD1-CB 3.81Å; L21-E111 HydrophobicContact CD2-CB 3.81Å; L21-E111 HydrophobicContact CD2-CG 4.18Å; L21-E111 HydrophobicContact CG-CB 4.5Å; N107-E111 WeakPolarHBondContact O-CG 3.32Å; N107-E111 PolarHBondContact O-N 3.22Å; C108-E111 PolarHBondContact O-N 3.04Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.3Å; E111-K114 WeakPolarHBondContact O-CB 3.32Å; E111-K114 PolarHBondContact O-N 3.39Å; E111-K114 VanDerWaalsContact O-N 3.09Å; E111-K114 IonicContact OE1-NZ 3.34Å; E111-K114 PolarHBondContact OE1-NZ 2.94Å; E111-K114 WeakPolarHBondContact OE2-CD 3.35Å; E111-K114 IonicContact OE2-NZ 3.61Å; E111-I115 WeakPolarHBondContact O-CG1 3.36Å; E111-I115 PolarHBondContact O-N 2.86Å
112E93.8Very high89.6Confident0 Ų054.4 Ų54.40%025%0.246CC..Hα-helixtrans-55.2-42.3171.6-78.7-174.4166.900112.7W4 L7 L21 Y22 R31 C108 L109 I115 L116W4-E112 VanDerWaalsContact CZ3-OE1 3.25Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.3Å; L7-E112 HydrophobicContact CD1-CB 3.84Å; L7-E112 HydrophobicContact CD1-CG 3.55Å; L21-E112 HydrophobicContact CD1-CG 4.27Å; Y22-E112 VanDerWaalsContact OH-CD 3.28Å; Y22-E112 PolarHBondContact OH-OE1 3.08Å; R31-E112 IonicContact CZ-OE1 2.97Å; R31-E112 IonicContact CZ-OE2 2.8Å; R31-E112 IonicContact NE-OE1 3.71Å; R31-E112 PolarHBondContact NE-OE1 3.01Å; R31-E112 IonicContact NE-OE2 3.72Å; R31-E112 PolarHBondContact NE-OE2 2.68Å; R31-E112 IonicContact NH2-OE1 2.67Å; R31-E112 IonicContact NH2-OE2 3.63Å; R31-E112 PolarHBondContact NH2-OE2 3.4Å; C108-E112 WeakPolarHBondContact O-CG 3.41Å; C108-E112 PolarHBondContact O-N 2.79Å; L109-E112 WeakPolarHBondContact CD2-OE2 3.35Å; E112-I115 PolarHBondContact O-N 2.83Å; E112-L116 PolarHBondContact O-N 2.79Å
113R93.3Very high88.4Confident110 Ų11058.6 Ų58.642%0.41527%0.269SS..Hα-helixtrans-63.2-41.6176-74-173.8-73.7-101.62.7111.6L109 K110 E111 I115 L116 E117L109-R113 PolarHBondContact O-N 2.9Å; K110-R113 PolarHBondContact O-N 2.97Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.3Å; R113-I115 VanDerWaalsContact C-N 3.31Å; R113-I115 PolarHBondContact O-N 2.98Å; R113-L116 PolarHBondContact O-N 2.79Å; R113-E117 WeakPolarHBondContact O-CG 3.35Å; R113-E117 PolarHBondContact O-N 3.42Å
114K91.8Very high87.1Confident88 Ų8861.8 Ų61.838%0.38328%0.283SS..Hα-helixtrans-62.1-39.2175.7-67.4174.9-178.9173.50111.9K110 E111 E117 N118K110-K114 PolarHBondContact O-N 2.99Å; E111-K114 WeakPolarHBondContact O-CB 3.32Å; E111-K114 PolarHBondContact O-N 3.39Å; E111-K114 VanDerWaalsContact O-N 3.09Å; E111-K114 IonicContact OE1-NZ 3.34Å; E111-K114 PolarHBondContact OE1-NZ 2.94Å; E111-K114 WeakPolarHBondContact OE2-CD 3.35Å; E111-K114 IonicContact OE2-NZ 3.61Å; K114-E117 PolarHBondContact O-N 2.85Å; K114-N118 WeakPolarHBondContact O-CB 3.42Å; K114-N118 VanDerWaalsContact O-CG 3.24Å; K114-N118 PolarHBondContact O-N 3.13Å; K114-N118 PolarHBondContact O-ND2 3.39Å
115I89.8Confident85.6Confident10 Ų1064.3 Ų64.35%0.05131%0.308CS..Hα-helixtrans-61.7-46.9175.7-66.1170.4000110.2L7 L10 F14 Q17 V18 L21 E111 E112 R113 N118 A119L7-I115 HydrophobicContact CD2-CB 4.48Å; L7-I115 HydrophobicContact CD2-CG2 4.26Å; L10-I115 HydrophobicContact CD1-CG2 4.06Å; F14-I115 HydrophobicContact CB-CG2 3.89Å; F14-I115 HydrophobicContact CD1-CG2 4.18Å; F14-I115 HydrophobicContact CG-CG2 4.47Å; Q17-I115 HydrophobicContact CB-CD1 3.83Å; Q17-I115 HydrophobicContact CB-CG1 4.32Å; V18-I115 HydrophobicContact CG2-CD1 3.93Å; V18-I115 HydrophobicContact CG2-CG2 4.33Å; L21-I115 HydrophobicContact CD1-CD1 3.74Å; E111-I115 WeakPolarHBondContact O-CG1 3.36Å; E111-I115 PolarHBondContact O-N 2.86Å; E112-I115 PolarHBondContact O-N 2.83Å; R113-I115 VanDerWaalsContact C-N 3.31Å; R113-I115 PolarHBondContact O-N 2.98Å; I115-N118 PolarHBondContact O-N 2.73Å; I115-A119 WeakPolarHBondContact O-CB 3.29Å; I115-A119 PolarHBondContact O-N 3.21Å
116L90.8Very high83.7Confident18 Ų1867.5 Ų67.59%0.09432%0.323CS..Hα-helixtrans-60-47.2176.9-74.4165.2000112.3Q3 E6 L7 L10 E112 R113 N118 A119 Q120Q3-L116 HydrophobicContact CG-CD1 3.74Å; E6-L116 HydrophobicContact CB-CD2 4.01Å; L7-L116 HydrophobicContact CD2-CD1 4.13Å; L7-L116 HydrophobicContact CD2-CD2 3.88Å; L7-L116 HydrophobicContact CD2-CG 3.61Å; L7-L116 HydrophobicContact CG-CD1 4.2Å; L7-L116 HydrophobicContact CG-CD2 4.21Å; L7-L116 HydrophobicContact CG-CG 4.15Å; L10-L116 HydrophobicContact CD1-CD2 3.94Å; L10-L116 HydrophobicContact CD2-CD2 4.28Å; L10-L116 HydrophobicContact CG-CD2 4.29Å; E112-L116 PolarHBondContact O-N 2.79Å; R113-L116 PolarHBondContact O-N 2.79Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 2.99Å; L116-A119 PolarHBondContact O-N 2.7Å; L116-Q120 WeakPolarHBondContact O-CG 3.45Å; L116-Q120 PolarHBondContact O-N 3.36Å
117E90.7Very high81.1Confident102 Ų10271.7 Ų71.748%0.47736%0.357SS..Hα-helixtrans-60.7-42.4177.3-73.8178.6-163.100111.9R113 K114 Q120 R121R113-E117 WeakPolarHBondContact O-CG 3.35Å; R113-E117 PolarHBondContact O-N 3.42Å; K114-E117 PolarHBondContact O-N 2.85Å; E117-Q120 PolarHBondContact O-N 2.91Å; E117-R121 WeakPolarHBondContact O-CG 3.39Å; E117-R121 PolarHBondContact O-N 3.23Å; E117-R121 VanDerWaalsContact O-N 3.13Å
118N87.3Confident78.8Confident82 Ų8271.3 Ų71.344%0.43937%0.368SS..Hα-helixtrans-65.3-39.4176.5-76.7-21000112.1K114 I115 L116 R121 F122K114-N118 WeakPolarHBondContact O-CB 3.42Å; K114-N118 VanDerWaalsContact O-CG 3.24Å; K114-N118 PolarHBondContact O-N 3.13Å; K114-N118 PolarHBondContact O-ND2 3.39Å; I115-N118 PolarHBondContact O-N 2.73Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 2.99Å; N118-R121 PolarHBondContact O-N 2.8Å; N118-F122 WeakPolarHBondContact O-CB 3.4Å; N118-F122 PolarHBondContact O-N 2.82Å
119A86.2Confident76.3Confident0 Ų075 Ų750%039%0.387CS..Hα-helixtrans-65.5-40.2177.200000112.2L10 F14 I115 L116 R121 F122 N123L10-A119 HydrophobicContact CD1-CB 3.91Å; L10-A119 HydrophobicContact CD2-CB 3.63Å; L10-A119 HydrophobicContact CG-CB 4.35Å; F14-A119 HydrophobicContact CD1-CB 3.91Å; F14-A119 HydrophobicContact CD2-CB 3.82Å; F14-A119 HydrophobicContact CE1-CB 3.88Å; F14-A119 HydrophobicContact CE2-CB 3.79Å; F14-A119 HydrophobicContact CG-CB 3.89Å; F14-A119 HydrophobicContact CZ-CB 3.83Å; I115-A119 WeakPolarHBondContact O-CB 3.29Å; I115-A119 PolarHBondContact O-N 3.21Å; L116-A119 PolarHBondContact O-N 2.7Å; A119-R121 PolarHBondContact O-N 3.44Å; A119-F122 PolarHBondContact O-N 3.01Å; A119-N123 VanDerWaalsContact O-CG 3.3Å; A119-N123 PolarHBondContact O-N 2.89Å; A119-N123 PolarHBondContact O-ND2 2.67Å
120Q82.5Confident74Confident116 Ų11680.5 Ų80.554%0.54242%0.415SS..Hα-helixtrans-62.1-42.9174.7-71.2176.23.400112L116 E117 F122 N123 Q124L116-Q120 WeakPolarHBondContact O-CG 3.45Å; L116-Q120 PolarHBondContact O-N 3.36Å; E117-Q120 PolarHBondContact O-N 2.91Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.46Å; Q120-N123 PolarHBondContact O-N 3.29Å; Q120-Q124 WeakPolarHBondContact O-CG 3.37Å; Q120-Q124 PolarHBondContact O-N 3.26Å
121R78.4Confident71.8Confident164 Ų16484.2 Ų84.262%0.61943%0.434SS*.Hα-helixtrans-63.4-38.5174.9-69.6176.4-174.5-169.34.5112.1E117 N118 A119 A125E117-R121 WeakPolarHBondContact O-CG 3.39Å; E117-R121 PolarHBondContact O-N 3.23Å; E117-R121 VanDerWaalsContact O-N 3.13Å; N118-R121 PolarHBondContact O-N 2.8Å; A119-R121 PolarHBondContact O-N 3.44Å; R121-A125 PolarHBondContact O-N 2.82Å
122F73.3Confident69.7Low65 Ų6585 Ų8529%0.28545%0.448SS..Hα-helixtrans-67.5-43.1178.7-166.6-96.5000112.3F14 N118 A119 Q120 Q124 A125 Q126F14-F122 HydrophobicContact CE2-CB 4.47Å; F14-F122 HydrophobicContact CE2-CD1 4.19Å; F14-F122 HydrophobicContact CE2-CG 4.47Å; F14-F122 HydrophobicContact CZ-CB 3.77Å; F14-F122 HydrophobicContact CZ-CD1 4.06Å; F14-F122 AromaticContact CZ-CG 3.89Å; F14-F122 HydrophobicContact CZ-CG 3.89Å; N118-F122 WeakPolarHBondContact O-CB 3.4Å; N118-F122 PolarHBondContact O-N 2.82Å; A119-F122 PolarHBondContact O-N 3.01Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.46Å; F122-Q124 VanDerWaalsContact C-N 3.32Å; F122-Q124 PolarHBondContact O-N 3.46Å; F122-A125 PolarHBondContact O-N 2.9Å; F122-A125 VanDerWaalsContact O-N 3.08Å; F122-Q126 HydrophobicContact CD1-CG 4.04Å; F122-Q126 HydrophobicContact CE1-CG 3.77Å; F122-Q126 HydrophobicContact CZ-CG 4.03Å; F122-Q126 WeakPolarHBondContact O-CB 3.5Å; F122-Q126 PolarHBondContact O-N 2.84Å
123N67.5Low67.9Low87 Ų8788.8 Ų88.847%0.46547%0.471SS..Hα-helixtrans-64.1-35.4177.5-71.9-20.4000112.6A119 Q120 A125 Q126A119-N123 VanDerWaalsContact O-CG 3.3Å; A119-N123 PolarHBondContact O-N 2.89Å; A119-N123 PolarHBondContact O-ND2 2.67Å; Q120-N123 PolarHBondContact O-N 3.29Å; N123-A125 VanDerWaalsContact C-N 3.29Å; N123-A125 PolarHBondContact O-N 3.03Å; N123-Q126 PolarHBondContact O-N 3.36Å
124Q63.5Low66.3Low157 Ų15786.9 Ų86.973%0.73447%0.471SS*.Hα-helixtrans-68.7-27.6173.7-70.5172.41000112.7Q120 F122Q120-Q124 WeakPolarHBondContact O-CG 3.37Å; Q120-Q124 PolarHBondContact O-N 3.26Å; F122-Q124 VanDerWaalsContact C-N 3.32Å; F122-Q124 PolarHBondContact O-N 3.46Å
125A58.6Low65.1Low85 Ų8586.8 Ų86.870%0.70247%0.473SS*.Hα-helixtrans-86.9-18.1177.700000114R121 F122 N123R121-A125 PolarHBondContact O-N 2.82Å; F122-A125 PolarHBondContact O-N 2.9Å; F122-A125 VanDerWaalsContact O-N 3.08Å; N123-A125 VanDerWaalsContact C-N 3.29Å; N123-A125 PolarHBondContact O-N 3.03Å
126Q53.9Low64.2Low68 Ų6890.4 Ų90.432%0.31849%0.492SS..  trans-111.834-171.1-72.8-144.2-17.100115.5F122 N123 G128 N129F122-Q126 HydrophobicContact CD1-CG 4.04Å; F122-Q126 HydrophobicContact CE1-CG 3.77Å; F122-Q126 HydrophobicContact CZ-CG 4.03Å; F122-Q126 WeakPolarHBondContact O-CB 3.5Å; F122-Q126 PolarHBondContact O-N 2.84Å; N123-Q126 PolarHBondContact O-N 3.36Å; Q126-G128 PolarHBondContact O-N 3.05Å; Q126-N129 PolarHBondContact OE1-ND2 3.22Å
127S39.5Very low63.6Low122 Ų12293.6 Ų93.685%0.85351%0.509SS*.THydrogen-bonded Turntrans-63.830.1175-50.90000115.9
128G42.8Very low63.2Low55 Ų5592.7 Ų92.757%0.56750%0.504SS*.THydrogen-bonded Turntrans-152.921.1-178.800000116.6Q126 I130Q126-G128 PolarHBondContact O-N 3.05Å; G128-I130 PolarHBondContact O-N 3.32Å
129N40.9Very low63Low89 Ų8991 Ų9148%0.47649%0.493SS..  trans-85.579-179.8-136.7-7.3000112.3Q126 Q131Q126-N129 PolarHBondContact OE1-ND2 3.22Å; N129-Q131 PolarHBondContact O-N 3.47Å
130I45.9Very low63Low124 Ų12497.1 Ų97.164%0.63652%0.52SS*.  trans-72.7-21.5-171.3-63.4160.4000113.1G128 S132 T133 V134G128-I130 PolarHBondContact O-N 3.32Å; I130-S132 PolarHBondContact O-N 3.47Å; I130-T133 PolarHBondContact O-N 3.34Å; I130-V134 HydrophobicContact CG2-CG2 3.94Å; I130-V134 WeakPolarHBondContact O-CG2 3.2Å; I130-V134 PolarHBondContact O-N 3.43Å
131Q46.1Very low63.4Low157 Ų15796.7 Ų96.773%0.73452%0.517SS*.Hα-helixtrans-69.9-35.5-167.3-73-177.9-15.400115N129N129-Q131 PolarHBondContact O-N 3.47Å
132S47.5Very low64Low87 Ų8789.2 Ų89.261%0.60849%0.49SS*.Hα-helixtrans-72.6-31.5-179.7-167.50000112.6I130I130-S132 PolarHBondContact O-N 3.47Å
133T55.1Low64.8Low79 Ų7988.6 Ų88.649%0.48549%0.489SS..Hα-helixtrans-69.6-39.1178.5-48.30000111I130 M135 L136 D137I130-T133 PolarHBondContact O-N 3.34Å; T133-M135 PolarHBondContact O-N 2.79Å; T133-L136 PolarHBondContact O-N 3.02Å; T133-D137 VanDerWaalsContact O-CG 3.3Å; T133-D137 PolarHBondContact O-N 3.49Å
134V60.8Low66Low69 Ų6987.6 Ų87.642%0.41849%0.49SS..Hα-helixtrans-63.5-39.2-178.3176.60000112.7I130 K138I130-V134 HydrophobicContact CG2-CG2 3.94Å; I130-V134 WeakPolarHBondContact O-CG2 3.2Å; I130-V134 PolarHBondContact O-N 3.43Å; V134-K138 WeakPolarHBondContact O-CG 3.42Å; V134-K138 PolarHBondContact O-N 3.3Å; V134-K138 VanDerWaalsContact O-N 3.15Å
135M65.6Low67.4Low86 Ų8683.8 Ų83.842%0.42447%0.47SS..Hα-helixtrans-68.4-40.4176.7-67.8-168.385.400112.1T133 D137 K138 Q139T133-M135 PolarHBondContact O-N 2.79Å; M135-D137 VanDerWaalsContact C-N 3.33Å; M135-D137 PolarHBondContact O-N 3.34Å; M135-K138 PolarHBondContact O-N 2.97Å; M135-Q139 WeakPolarHBondContact O-CG 3.4Å; M135-Q139 PolarHBondContact O-N 3.35Å
136L71.3Confident69.2Low87 Ų8779.9 Ų79.946%0.45544%0.438SS..Hα-helixtrans-63.9-37.6176.7-94.2152.1000112.3T133 K140T133-L136 PolarHBondContact O-N 3.02Å; L136-K140 WeakPolarHBondContact O-CG 3.14Å; L136-K140 PolarHBondContact O-N 3.04Å; L136-K140 VanDerWaalsContact O-N 3.14Å
137D77.6Confident71Confident85 Ų8583.6 Ų83.646%0.45545%0.449SS..Hα-helixtrans-70.2-42.4178.8-69.1-22.8000112T133 M135 Q139 K140 E141T133-D137 VanDerWaalsContact O-CG 3.3Å; T133-D137 PolarHBondContact O-N 3.49Å; M135-D137 VanDerWaalsContact C-N 3.33Å; M135-D137 PolarHBondContact O-N 3.34Å; D137-Q139 VanDerWaalsContact C-N 3.34Å; D137-Q139 PolarHBondContact O-N 3.37Å; D137-K140 PolarHBondContact O-N 3.42Å; D137-E141 WeakPolarHBondContact O-CB 3.35Å; D137-E141 PolarHBondContact O-N 3.29Å
138K83.1Confident73.7Confident83 Ų8380.8 Ų80.836%0.36143%0.425SS..Hα-helixtrans-56.2-46.7173.3-78.1-172177.7-167.40112.1V134 M135 E141 L142 E238V134-K138 WeakPolarHBondContact O-CG 3.42Å; V134-K138 PolarHBondContact O-N 3.3Å; V134-K138 VanDerWaalsContact O-N 3.15Å; M135-K138 PolarHBondContact O-N 2.97Å; K138-E141 PolarHBondContact O-N 2.93Å; K138-L142 PolarHBondContact O-N 3.46Å; K138-E238 IonicContact NZ-OE1 3.32Å; K138-E238 PolarHBondContact NZ-OE1 2.91Å
139Q83.6Confident76.2Confident46 Ų4678.2 Ų78.222%0.21540%0.397CS..Hα-helixtrans-63.4-44.5-179.7-69.5-177-5.900111.9M135 D137 E141 L142 D143 W262M135-Q139 WeakPolarHBondContact O-CG 3.4Å; M135-Q139 PolarHBondContact O-N 3.35Å; D137-Q139 VanDerWaalsContact C-N 3.34Å; D137-Q139 PolarHBondContact O-N 3.37Å; Q139-E141 VanDerWaalsContact C-N 3.34Å; Q139-E141 PolarHBondContact O-N 2.97Å; Q139-L142 PolarHBondContact O-N 2.97Å; Q139-D143 PolarHBondContact O-N 3.25Å; Q139-W262 HydrophobicContact CB-CH2 4.29Å; Q139-W262 HydrophobicContact CB-CZ2 4.49Å; Q139-W262 HydrophobicContact CG-CH2 4.14Å
140K85.6Confident78.8Confident129 Ų12978.3 Ų78.356%0.56139%0.394SS*.Hα-helixtrans-63.5-39.4176.3-74.2174.2-177.11720112.5L136 D137 S144L136-K140 WeakPolarHBondContact O-CG 3.14Å; L136-K140 PolarHBondContact O-N 3.04Å; L136-K140 VanDerWaalsContact O-N 3.14Å; D137-K140 PolarHBondContact O-N 3.42Å; K140-S144 PolarHBondContact O-N 2.95Å
141E90.4Very high81Confident106 Ų10676.5 Ų76.550%0.49539%0.386SS..Hα-helixtrans-62.4-45.1175.9-172.3-174.516500110.7D137 K138 Q139 S144 K145D137-E141 WeakPolarHBondContact O-CB 3.35Å; D137-E141 PolarHBondContact O-N 3.29Å; K138-E141 PolarHBondContact O-N 2.93Å; Q139-E141 VanDerWaalsContact C-N 3.34Å; Q139-E141 PolarHBondContact O-N 2.97Å; E141-S144 WeakPolarHBondContact O-CB 3.49Å; E141-S144 PolarHBondContact O-N 2.99Å; E141-K145 WeakPolarHBondContact O-CG 3.48Å; E141-K145 PolarHBondContact O-N 3.37Å; E141-K145 WeakPolarHBondContact OE1-CE 3.29Å; E141-K145 IonicContact OE1-NZ 3.08Å; E141-K145 PolarHBondContact OE1-NZ 2.86Å
142L91.3Very high83.4Confident7 Ų771.1 Ų71.14%0.03736%0.359CS..Hα-helixtrans-67.3-40.4178.8-169.161.5000112.3K138 Q139 S144 K145 V146 T227 A230 L231 E235 W262K138-L142 PolarHBondContact O-N 3.46Å; Q139-L142 PolarHBondContact O-N 2.97Å; L142-S144 VanDerWaalsContact C-N 3.25Å; L142-S144 PolarHBondContact O-N 3.39Å; L142-K145 PolarHBondContact O-N 3.13Å; L142-V146 HydrophobicContact CD1-CG2 4.41Å; L142-V146 HydrophobicContact CG-CG2 4.33Å; L142-V146 WeakPolarHBondContact O-CB 3.48Å; L142-V146 WeakPolarHBondContact O-CG2 3.37Å; L142-V146 PolarHBondContact O-N 3.33Å; L142-T227 HydrophobicContact CD1-CG2 3.96Å; L142-A230 HydrophobicContact CD1-CB 4.22Å; L142-L231 HydrophobicContact CD2-CD1 4.17Å; L142-E235 HydrophobicContact CD2-CB 4.48Å; L142-E235 HydrophobicContact CD2-CG 3.5Å; L142-E235 VanDerWaalsContact CD2-CG 3.5Å; L142-W262 HydrophobicContact CB-CZ2 4.36Å; L142-W262 HydrophobicContact CD2-CD2 3.94Å; L142-W262 HydrophobicContact CD2-CE3 3.57Å; L142-W262 HydrophobicContact CD2-CH2 3.98Å; L142-W262 HydrophobicContact CD2-CZ2 4.31Å; L142-W262 HydrophobicContact CD2-CZ3 3.62Å; L142-W262 HydrophobicContact CG-CD2 4.33Å; L142-W262 HydrophobicContact CG-CE3 4.43Å
143D89.9Confident85.7Confident52 Ų5267 Ų6728%0.27833%0.331SS..Hα-helixtrans-54.4-43.2171.1-84.7-42.7000111.8Q139 R147 W262Q139-D143 PolarHBondContact O-N 3.25Å; D143-R147 WeakPolarHBondContact O-CB 3.39Å; D143-R147 PolarHBondContact O-N 2.85Å; D143-W262 PolarHBondContact OD1-NE1 3.12Å
144S92.4Very high87.5Confident67 Ų6768.1 Ų68.147%0.46933%0.332SS..Hα-helixtrans-64.5-45.6177-171.50000111.9K140 E141 L142 R147 N148K140-S144 PolarHBondContact O-N 2.95Å; E141-S144 WeakPolarHBondContact O-CB 3.49Å; E141-S144 PolarHBondContact O-N 2.99Å; L142-S144 VanDerWaalsContact C-N 3.25Å; L142-S144 PolarHBondContact O-N 3.39Å; S144-R147 PolarHBondContact O-N 3.48Å; S144-N148 WeakPolarHBondContact O-CB 3.44Å; S144-N148 PolarHBondContact O-N 3.23Å
145K93.9Very high89.1Confident76 Ų7668 Ų6833%0.3333%0.333SS..Hα-helixtrans-63-45.1177.7-72176-176.8166.30112.2E141 L142 R147 N148 V149 T227E141-K145 WeakPolarHBondContact O-CG 3.48Å; E141-K145 PolarHBondContact O-N 3.37Å; E141-K145 WeakPolarHBondContact OE1-CE 3.29Å; E141-K145 IonicContact OE1-NZ 3.08Å; E141-K145 PolarHBondContact OE1-NZ 2.86Å; L142-K145 PolarHBondContact O-N 3.13Å; K145-R147 VanDerWaalsContact C-N 3.35Å; K145-R147 PolarHBondContact O-N 3.04Å; K145-N148 WeakPolarHBondContact O-CB 3.3Å; K145-N148 PolarHBondContact O-N 2.95Å; K145-V149 WeakPolarHBondContact O-CG2 3.27Å; K145-V149 PolarHBondContact O-N 2.85Å; K145-T227 HydrophobicContact CB-CG2 3.83Å
146V95.1Very high90.5Very high3 Ų364.1 Ų64.12%0.01831%0.314CS..Hα-helixtrans-63.2-41.5177.3171.50000111L142 V149 K150 T227 W262 I265 V266L142-V146 HydrophobicContact CD1-CG2 4.41Å; L142-V146 HydrophobicContact CG-CG2 4.33Å; L142-V146 WeakPolarHBondContact O-CB 3.48Å; L142-V146 WeakPolarHBondContact O-CG2 3.37Å; L142-V146 PolarHBondContact O-N 3.33Å; V146-V149 PolarHBondContact O-N 3.49Å; V146-K150 PolarHBondContact O-N 3.25Å; V146-T227 HydrophobicContact CG2-CG2 3.84Å; V146-W262 HydrophobicContact CG2-CB 4.17Å; V146-W262 HydrophobicContact CG2-CG 4.14Å; V146-I265 HydrophobicContact CG1-CB 3.73Å; V146-I265 HydrophobicContact CG1-CD1 3.95Å; V146-I265 HydrophobicContact CG1-CG1 4.46Å; V146-I265 HydrophobicContact CG1-CG2 3.54Å; V146-V266 HydrophobicContact CG1-CG2 4.32Å; V146-V266 HydrophobicContact CG2-CG2 4.18Å
147R93.1Very high91.6Very high146 Ų14663.6 Ų63.655%0.55131%0.309SS*.Hα-helixtrans-62.3-44.6174.1-171-177.7-60.81174.5111.8D143 S144 K145 V149 K150 D151D143-R147 WeakPolarHBondContact O-CB 3.39Å; D143-R147 PolarHBondContact O-N 2.85Å; S144-R147 PolarHBondContact O-N 3.48Å; K145-R147 VanDerWaalsContact C-N 3.35Å; K145-R147 PolarHBondContact O-N 3.04Å; R147-V149 VanDerWaalsContact C-N 3.32Å; R147-V149 PolarHBondContact O-N 2.97Å; R147-K150 WeakPolarHBondContact O-CB 3.24Å; R147-K150 PolarHBondContact O-N 3.06Å; R147-K150 VanDerWaalsContact O-N 3.14Å; R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 3.29Å
148N94.7Very high92.4Very high64 Ų6465.7 Ų65.734%0.34232%0.316SS..Hα-helixtrans-59.3-40.1176.7177.744.5000112.5S144 K145 D151 K152S144-N148 WeakPolarHBondContact O-CB 3.44Å; S144-N148 PolarHBondContact O-N 3.23Å; K145-N148 WeakPolarHBondContact O-CB 3.3Å; K145-N148 PolarHBondContact O-N 2.95Å; N148-D151 PolarHBondContact O-N 3.39Å; N148-K152 WeakPolarHBondContact O-CB 3.23Å; N148-K152 WeakPolarHBondContact O-CG 3.32Å; N148-K152 PolarHBondContact O-N 3.46Å
149V96.8Very high92.9Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-58.5-51173.3171.20000110.3K145 V146 R147 D151 K152 V153 L220 V223 T224K145-V149 WeakPolarHBondContact O-CG2 3.27Å; K145-V149 PolarHBondContact O-N 2.85Å; V146-V149 PolarHBondContact O-N 3.49Å; R147-V149 VanDerWaalsContact C-N 3.32Å; R147-V149 PolarHBondContact O-N 2.97Å; V149-D151 PolarHBondContact O-N 3.11Å; V149-K152 PolarHBondContact O-N 3.3Å; V149-V153 WeakPolarHBondContact O-CG2 3.33Å; V149-V153 PolarHBondContact O-N 3.26Å; V149-V153 VanDerWaalsContact O-N 3.07Å; V149-L220 HydrophobicContact CG1-CD1 4.44Å; V149-L220 WeakPolarHBondContact O-CD1 3.32Å; V149-V223 HydrophobicContact CG2-CG1 3.95Å; V149-T224 HydrophobicContact CG1-CG2 4.35Å
150K94.3Very high93.5Very high92 Ų9261 Ų6140%0.430%0.295SS..Hα-helixtrans-57.5-48.5178.8179.8177.3178.3167.70112.3V146 R147 K152 V153 M154 I265V146-K150 PolarHBondContact O-N 3.25Å; R147-K150 WeakPolarHBondContact O-CB 3.24Å; R147-K150 PolarHBondContact O-N 3.06Å; R147-K150 VanDerWaalsContact O-N 3.14Å; K150-K152 VanDerWaalsContact C-N 3.34Å; K150-K152 PolarHBondContact O-N 3.01Å; K150-V153 PolarHBondContact O-N 3.19Å; K150-M154 PolarHBondContact O-N 2.83Å; K150-M154 VanDerWaalsContact O-N 3.13Å; K150-I265 HydrophobicContact CB-CG2 3.99Å; K150-I265 HydrophobicContact CD-CG2 4.25Å
151D93.1Very high94Very high86 Ų8661.1 Ų61.146%0.4630%0.296SS..Hα-helixtrans-63.5-40.6-177.4-64.8-19.8000111.4R147 N148 V149 M154 C155R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 3.29Å; N148-D151 PolarHBondContact O-N 3.39Å; V149-D151 PolarHBondContact O-N 3.11Å; D151-M154 PolarHBondContact O-N 3.22Å; D151-C155 PolarHBondContact O-N 2.88Å
152K95.3Very high94.2Very high43 Ų4358.5 Ų58.519%0.18729%0.29CS..Hα-helixtrans-65.6-38.1176.3-76.9-169.2172.6-149.60112.8N148 V149 K150 C155 I156 E219 L220N148-K152 WeakPolarHBondContact O-CB 3.23Å; N148-K152 WeakPolarHBondContact O-CG 3.32Å; N148-K152 PolarHBondContact O-N 3.46Å; V149-K152 PolarHBondContact O-N 3.3Å; K150-K152 VanDerWaalsContact C-N 3.34Å; K150-K152 PolarHBondContact O-N 3.01Å; K152-C155 WeakPolarHBondContact O-CB 3.23Å; K152-C155 PolarHBondContact O-N 3.13Å; K152-I156 WeakPolarHBondContact O-CG1 3.48Å; K152-I156 PolarHBondContact O-N 3.27Å; K152-E219 IonicContact NZ-OE1 3.69Å; K152-E219 PolarHBondContact NZ-OE1 3.39Å; K152-E219 IonicContact NZ-OE2 2.64Å; K152-E219 PolarHBondContact NZ-OE2 3.5Å; K152-L220 HydrophobicContact CB-CD1 3.39Å; K152-L220 HydrophobicContact CD-CD1 4.47Å
153V95.9Very high94.4Very high2 Ų258.2 Ų58.21%0.01229%0.288CS..Hα-helixtrans-62-46.6174.9175.40000110.9V149 K150 C155 I156 E157 L220 Q272 V273V149-V153 WeakPolarHBondContact O-CG2 3.33Å; V149-V153 PolarHBondContact O-N 3.26Å; V149-V153 VanDerWaalsContact O-N 3.07Å; K150-V153 PolarHBondContact O-N 3.19Å; V153-C155 VanDerWaalsContact C-N 3.27Å; V153-C155 PolarHBondContact O-N 2.89Å; V153-I156 PolarHBondContact O-N 3.06Å; V153-E157 PolarHBondContact O-N 2.93Å; V153-L220 HydrophobicContact CG2-CD1 3.64Å; V153-L220 HydrophobicContact CG2-CD2 3.58Å; V153-L220 HydrophobicContact CG2-CG 4.21Å; V153-Q272 HydrophobicContact CG1-CB 3.73Å; V153-Q272 HydrophobicContact CG1-CG 3.6Å; V153-V273 HydrophobicContact CG2-CG2 4.13Å
154M93.3Very high94.8Very high102 Ų10257.6 Ų57.650%0.50228%0.284SS..Hα-helixtrans-61.2-38.1177.3-68.7-174.365.600111.9K150 D151 E157 H158K150-M154 PolarHBondContact O-N 2.83Å; K150-M154 VanDerWaalsContact O-N 3.13Å; D151-M154 PolarHBondContact O-N 3.22Å; M154-E157 PolarHBondContact O-N 3.49Å; M154-H158 PolarHBondContact O-N 3.47Å; M154-H158 VanDerWaalsContact O-N 3.12Å
155C94.7Very high94.9Very high65 Ų6559 Ų5944%0.43929%0.286SS..Hα-helixtrans-62.2-45.1174.9-171.10000112D151 K152 V153 H158 E159D151-C155 PolarHBondContact O-N 2.88Å; K152-C155 WeakPolarHBondContact O-CB 3.23Å; K152-C155 PolarHBondContact O-N 3.13Å; V153-C155 VanDerWaalsContact C-N 3.27Å; V153-C155 PolarHBondContact O-N 2.89Å; C155-H158 PolarHBondContact O-N 2.94Å; C155-E159 WeakPolarHBondContact O-CG 3.48Å; C155-E159 PolarHBondContact O-N 3.25Å; C155-E159 VanDerWaalsContact O-N 3.12Å; C155-E159 PolarHBondContact SG-OE1 3.35Å; C155-E159 VanDerWaalsContact SG-OE1 3.35Å
156I95.8Very high95Very high5 Ų556.8 Ų56.83%0.02628%0.277CS..Hα-helixtrans-63.6-42.5177.9-71161.2000111.2K152 V153 H158 E159 I160 K216 I217 L220 Q276K152-I156 WeakPolarHBondContact O-CG1 3.48Å; K152-I156 PolarHBondContact O-N 3.27Å; V153-I156 PolarHBondContact O-N 3.06Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 3.4Å; I156-E159 PolarHBondContact O-N 3.38Å; I156-I160 HydrophobicContact CG2-CD1 3.84Å; I156-I160 HydrophobicContact CG2-CG1 4.41Å; I156-I160 WeakPolarHBondContact O-CG1 3.4Å; I156-I160 PolarHBondContact O-N 3.28Å; I156-K216 HydrophobicContact CD1-CB 4.13Å; I156-K216 HydrophobicContact CG1-CB 3.81Å; I156-I217 HydrophobicContact CD1-CG1 4.12Å; I156-I217 HydrophobicContact CG2-CD1 4.23Å; I156-I217 HydrophobicContact CG2-CG1 3.73Å; I156-L220 HydrophobicContact CD1-CB 3.81Å; I156-L220 HydrophobicContact CD1-CD2 3.86Å; I156-L220 HydrophobicContact CD1-CG 4.26Å; I156-Q276 HydrophobicContact CG2-CG 4.46Å
157E94.3Very high95Very high77 Ų7756.8 Ų56.836%0.3628%0.277SS..Hα-helixtrans-57.3-45.1176.1175170.7-111.400111.9V153 M154 E159 I160 K161 Q272 Q276V153-E157 PolarHBondContact O-N 2.93Å; M154-E157 PolarHBondContact O-N 3.49Å; E157-E159 VanDerWaalsContact C-N 3.31Å; E157-E159 PolarHBondContact O-N 3.38Å; E157-I160 PolarHBondContact O-N 2.84Å; E157-K161 PolarHBondContact O-N 3.48Å; E157-Q272 PolarHBondContact OE1-NE2 3.5Å; E157-Q272 PolarHBondContact OE2-NE2 3.06Å; E157-Q276 VanDerWaalsContact CB-NE2 3.34Å; E157-Q276 VanDerWaalsContact CG-NE2 3.34Å; E157-Q276 PolarHBondContact OE1-NE2 3.37Å
158H94.4Very high95.1Very high128 Ų12852.8 Ų52.859%0.59327%0.267SS*.Hα-helixtrans-62.8-38.3177.7-17268.4000112.6M154 C155 I156 K161 S162M154-H158 PolarHBondContact O-N 3.47Å; M154-H158 VanDerWaalsContact O-N 3.12Å; C155-H158 PolarHBondContact O-N 2.94Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 3.4Å; H158-K161 PolarHBondContact O-N 2.92Å; H158-S162 PolarHBondContact O-N 3.36Å; H158-S162 PolarHBondContact O-OG 3.31Å
159E94.2Very high95Very high26 Ų2654.1 Ų54.112%0.12127%0.271CS..Hα-helixtrans-71.8-35.5177.2-72.5177.9-143.600113.2C155 I156 E157 K161 S162 L163 V213 K216C155-E159 WeakPolarHBondContact O-CG 3.48Å; C155-E159 PolarHBondContact O-N 3.25Å; C155-E159 VanDerWaalsContact O-N 3.12Å; C155-E159 PolarHBondContact SG-OE1 3.35Å; C155-E159 VanDerWaalsContact SG-OE1 3.35Å; I156-E159 PolarHBondContact O-N 3.38Å; E157-E159 VanDerWaalsContact C-N 3.31Å; E157-E159 PolarHBondContact O-N 3.38Å; E159-K161 VanDerWaalsContact C-N 3.33Å; E159-S162 PolarHBondContact O-N 2.96Å; E159-L163 WeakPolarHBondContact O-CB 3.38Å; E159-L163 PolarHBondContact O-N 2.94Å; E159-V213 HydrophobicContact CB-CG2 3.96Å; E159-K216 WeakPolarHBondContact OE1-CD 3.46Å; E159-K216 WeakPolarHBondContact OE1-CE 3.44Å; E159-K216 IonicContact OE1-NZ 2.66Å; E159-K216 PolarHBondContact OE1-NZ 3.22Å; E159-K216 VanDerWaalsContact OE2-CD 3.27Å; E159-K216 WeakPolarHBondContact OE2-CD 2.66Å; E159-K216 IonicContact OE2-NZ 2.8Å; E159-K216 PolarHBondContact OE2-NZ 2.84Å
160I95.4Very high94.8Very high4 Ų455.4 Ų55.42%0.02128%0.276CS..Hα-helixtrans-64.4-41.3173.8-75.8172.9000110.6I156 E157 S162 L163 E164 V213 Q276 K279 L280I156-I160 HydrophobicContact CG2-CD1 3.84Å; I156-I160 HydrophobicContact CG2-CG1 4.41Å; I156-I160 WeakPolarHBondContact O-CG1 3.4Å; I156-I160 PolarHBondContact O-N 3.28Å; E157-I160 PolarHBondContact O-N 2.84Å; I160-S162 VanDerWaalsContact C-N 3.34Å; I160-S162 PolarHBondContact O-N 3.21Å; I160-L163 WeakPolarHBondContact O-CB 3.37Å; I160-L163 PolarHBondContact O-N 2.99Å; I160-E164 PolarHBondContact O-N 2.77Å; I160-V213 HydrophobicContact CD1-CG1 3.98Å; I160-V213 HydrophobicContact CG1-CG1 3.62Å; I160-V213 HydrophobicContact CG1-CG2 4.42Å; I160-Q276 HydrophobicContact CD1-CB 3.47Å; I160-Q276 VanDerWaalsContact CD1-CB 3.47Å; I160-Q276 HydrophobicContact CD1-CG 3.81Å; I160-Q276 VanDerWaalsContact CD1-OE1 3.24Å; I160-K279 HydrophobicContact CG2-CB 4.21Å; I160-K279 HydrophobicContact CG2-CG 3.72Å; I160-L280 HydrophobicContact CD1-CD1 4.48Å; I160-L280 HydrophobicContact CD1-CD2 4.35Å; I160-L280 HydrophobicContact CD1-CG 4.22Å; I160-L280 HydrophobicContact CG1-CD2 4.21Å
161K95.1Very high94.8Very high132 Ų13254.1 Ų54.157%0.57427%0.273SS*.Hα-helixtrans-60.4-45.6173.6-171174.4-176.1175.20111.6E157 H158 E159 L163 E164 D165E157-K161 PolarHBondContact O-N 3.48Å; H158-K161 PolarHBondContact O-N 2.92Å; E159-K161 VanDerWaalsContact C-N 3.33Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.42Å; K161-E164 PolarHBondContact O-N 3.26Å; K161-D165 PolarHBondContact O-N 2.88Å
162S95.5Very high94.7Very high52 Ų5256.7 Ų56.736%0.36428%0.281SS..Hα-helixtrans-62.8-35.8176.4-57.30000112.6H158 E159 I160 L166H158-S162 PolarHBondContact O-N 3.36Å; H158-S162 PolarHBondContact O-OG 3.31Å; E159-S162 PolarHBondContact O-N 2.96Å; I160-S162 VanDerWaalsContact C-N 3.34Å; I160-S162 PolarHBondContact O-N 3.21Å; S162-L166 WeakPolarHBondContact O-CB 3.42Å; S162-L166 PolarHBondContact O-N 2.86Å; S162-L166 VanDerWaalsContact O-N 3.11Å
163L96.4Very high94.4Very high0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-68.9-41.5175.7172.664.8000111.6E159 I160 K161 L166 Q167 L206 K209 R210 V213 L280 L283E159-L163 WeakPolarHBondContact O-CB 3.38Å; E159-L163 PolarHBondContact O-N 2.94Å; I160-L163 WeakPolarHBondContact O-CB 3.37Å; I160-L163 PolarHBondContact O-N 2.99Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-Q167 WeakPolarHBondContact O-CB 3.34Å; L163-Q167 PolarHBondContact O-N 3.38Å; L163-L206 HydrophobicContact CD1-CD2 3.86Å; L163-K209 HydrophobicContact CD1-CB 3.83Å; L163-R210 HydrophobicContact CD1-CG 3.84Å; L163-R210 HydrophobicContact CD2-CG 3.89Å; L163-R210 HydrophobicContact CG-CG 4.48Å; L163-V213 HydrophobicContact CD2-CG2 4.36Å; L163-L280 HydrophobicContact CD2-CD2 3.97Å; L163-L283 HydrophobicContact CD2-CD1 4Å; L163-L283 HydrophobicContact CG-CD1 4.04Å
164E96.4Very high94Very high40 Ų4058.6 Ų58.619%0.18729%0.291CS..Hα-helixtrans-60.4-50.4174.2176.2169.1-148.300111.1I160 K161 L166 Q167 D168 K279 L283 K286I160-E164 PolarHBondContact O-N 2.77Å; K161-E164 PolarHBondContact O-N 3.26Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.31Å; E164-Q167 PolarHBondContact O-N 3.21Å; E164-Q167 VanDerWaalsContact O-N 3.07Å; E164-D168 PolarHBondContact O-N 3.09Å; E164-K279 WeakPolarHBondContact OE1-CE 3.26Å; E164-K279 IonicContact OE1-NZ 3.06Å; E164-K279 PolarHBondContact OE1-NZ 3.36Å; E164-K279 WeakPolarHBondContact OE2-CE 3.45Å; E164-K279 IonicContact OE2-NZ 3.27Å; E164-K279 PolarHBondContact OE2-NZ 2.69Å; E164-L283 HydrophobicContact CB-CD1 4.36Å; E164-L283 HydrophobicContact CB-CD2 4.02Å; E164-L283 HydrophobicContact CG-CD2 4.04Å; E164-K286 IonicContact OE1-NZ 3.61Å
165D95.9Very high93.8Very high96 Ų9658.8 Ų58.851%0.51329%0.289SS..Hα-helixtrans-57.9-44.5178.9-68.3-29000111.3K161 Q167 D168 E169K161-D165 PolarHBondContact O-N 2.88Å; D165-Q167 VanDerWaalsContact C-N 3.31Å; D165-Q167 PolarHBondContact O-N 2.99Å; D165-D168 PolarHBondContact O-N 3.17Å; D165-E169 PolarHBondContact O-N 3.04Å
166L94.6Very high93.4Very high30 Ų3057.9 Ų57.916%0.15728%0.282CS..Hα-helixtrans-63.6-37177.4-176.966.4000112.1S162 L163 E164 Y170 M205 L206 K209S162-L166 WeakPolarHBondContact O-CB 3.42Å; S162-L166 PolarHBondContact O-N 2.86Å; S162-L166 VanDerWaalsContact O-N 3.11Å; L163-L166 PolarHBondContact O-N 2.88Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.31Å; L166-Y170 WeakPolarHBondContact O-CB 3.32Å; L166-Y170 PolarHBondContact O-N 3.25Å; L166-M205 HydrophobicContact CD1-CE 4.38Å; L166-M205 HydrophobicContact CD2-CB 4.13Å; L166-L206 HydrophobicContact CB-CD2 4.16Å; L166-L206 HydrophobicContact CD2-CD2 3.85Å; L166-L206 HydrophobicContact CD2-CG 4.2Å; L166-L206 HydrophobicContact CG-CD2 3.81Å; L166-L206 HydrophobicContact CG-CG 4.26Å; L166-K209 HydrophobicContact CD2-CG 4.33Å
167Q95.9Very high92.7Very high3 Ų359 Ų591%0.01429%0.288CS..Hα-helixtrans-73.2-39.5180-173.2172.2-47.600111.8L163 E164 D165 Y170 D171 L206 L283L163-Q167 WeakPolarHBondContact O-CB 3.34Å; L163-Q167 PolarHBondContact O-N 3.38Å; E164-Q167 PolarHBondContact O-N 3.21Å; E164-Q167 VanDerWaalsContact O-N 3.07Å; D165-Q167 VanDerWaalsContact C-N 3.31Å; D165-Q167 PolarHBondContact O-N 2.99Å; Q167-Y170 WeakPolarHBondContact O-CB 3.39Å; Q167-Y170 PolarHBondContact O-N 3.18Å; Q167-D171 WeakPolarHBondContact O-CB 3.33Å; Q167-D171 PolarHBondContact O-N 2.93Å; Q167-L206 HydrophobicContact CB-CD2 3.78Å; Q167-L206 HydrophobicContact CG-CD2 4.4Å; Q167-L283 PolarHBondContact NE2-O 2.98Å
168D95Very high91.8Very high62 Ų6261 Ų6133%0.33230%0.297SS..Hα-helixtrans-67.9-37.9175.8-72.1-16.6000110.8E164 D165 D171 F172 K286E164-D168 PolarHBondContact O-N 3.09Å; D165-D168 PolarHBondContact O-N 3.17Å; D168-D171 PolarHBondContact O-N 3.29Å; D168-F172 WeakPolarHBondContact O-CB 3.3Å; D168-F172 PolarHBondContact O-N 2.88Å; D168-K286 IonicContact OD1-NZ 3.69Å; D168-K286 PolarHBondContact OD1-NZ 3.33Å; D168-K286 IonicContact OD2-NZ 2.66Å; D168-K286 PolarHBondContact OD2-NZ 2.89Å
169E93.4Very high91Very high92 Ų9260.3 Ų60.343%0.4330%0.298SS..Hα-helixtrans-63.9-40.6171.8-166.6-167.7159.800111.8D165 F172 K173 M202D165-E169 PolarHBondContact O-N 3.04Å; E169-F172 PolarHBondContact O-N 2.94Å; E169-K173 PolarHBondContact O-N 2.88Å; E169-K173 VanDerWaalsContact OE1-CE 3.23Å; E169-K173 WeakPolarHBondContact OE1-CE 3.44Å; E169-K173 IonicContact OE1-NZ 3.78Å; E169-K173 PolarHBondContact OE1-NZ 3.43Å; E169-M202 HydrophobicContact CB-CE 4.45Å; E169-M202 HydrophobicContact CG-CE 4.31Å
170Y92.6Very high90Very high27 Ų2765.7 Ų65.711%0.10632%0.317CS..Hα-helixtrans-61.9-49.5175.5175.5-104.6000111.8L166 Q167 F172 K173 C174 L199 M202 L206 Y287L166-Y170 WeakPolarHBondContact O-CB 3.32Å; L166-Y170 PolarHBondContact O-N 3.25Å; Q167-Y170 WeakPolarHBondContact O-CB 3.39Å; Q167-Y170 PolarHBondContact O-N 3.18Å; Y170-F172 VanDerWaalsContact C-N 3.34Å; Y170-F172 PolarHBondContact O-N 3Å; Y170-K173 PolarHBondContact O-N 2.77Å; Y170-C174 VanDerWaalsContact CZ-SG 3.5Å; Y170-C174 PolarHBondContact O-N 3.02Å; Y170-C174 PolarHBondContact O-SG 2.86Å; Y170-C174 VanDerWaalsContact O-SG 3.35Å; Y170-L199 HydrophobicContact CD2-CD2 4.3Å; Y170-L199 HydrophobicContact CE2-CD2 3.89Å; Y170-M202 HydrophobicContact CD2-CB 3.49Å; Y170-M202 VanDerWaalsContact CD2-CB 3.49Å; Y170-M202 HydrophobicContact CD2-CE 4.3Å; Y170-M202 HydrophobicContact CD2-CG 4.49Å; Y170-M202 HydrophobicContact CD2-SD 4.31Å; Y170-M202 HydrophobicContact CE2-CB 4Å; Y170-L206 HydrophobicContact CD1-CD1 3.67Å; Y170-L206 HydrophobicContact CD2-CD1 4.31Å; Y170-L206 HydrophobicContact CE1-CD1 4.31Å; Y170-L206 HydrophobicContact CG-CD1 3.65Å; Y170-Y287 HydrophobicContact CE1-CD2 4.36Å; Y170-Y287 HydrophobicContact CE1-CE1 4.37Å; Y170-Y287 HydrophobicContact CE1-CE2 4Å
171D93.1Very high88.3Confident64 Ų6471.5 Ų71.534%0.34234%0.344SS..Hα-helixtrans-59.4-44.6177.3176.961.9000111.5Q167 D168 K173 C174 K175Q167-D171 WeakPolarHBondContact O-CB 3.33Å; Q167-D171 PolarHBondContact O-N 2.93Å; D168-D171 PolarHBondContact O-N 3.29Å; D171-K173 PolarHBondContact O-N 2.99Å; D171-C174 PolarHBondContact O-N 3.34Å; D171-K175 WeakPolarHBondContact O-CG 3.32Å; D171-K175 PolarHBondContact O-N 2.89Å; D171-K175 WeakPolarHBondContact OD1-CE 3.48Å; D171-K175 IonicContact OD1-NZ 2.68Å; D171-K175 PolarHBondContact OD1-NZ 2.8Å; D171-K175 VanDerWaalsContact OD2-CE 3.31Å; D171-K175 WeakPolarHBondContact OD2-CE 3.46Å; D171-K175 IonicContact OD2-NZ 3.97Å; D171-K175 PolarHBondContact OD2-NZ 2.79Å
172F92.8Very high86.4Confident140 Ų14073 Ų7361%0.61435%0.353SS*.Hα-helixtrans-59.1-44.9176.5-179.1-98.5000112.3D168 E169 Y170 T176D168-F172 WeakPolarHBondContact O-CB 3.3Å; D168-F172 PolarHBondContact O-N 2.88Å; E169-F172 PolarHBondContact O-N 2.94Å; Y170-F172 VanDerWaalsContact C-N 3.34Å; Y170-F172 PolarHBondContact O-N 3Å; F172-T176 WeakPolarHBondContact O-CB 3.38Å; F172-T176 PolarHBondContact O-N 3.01Å; F172-T176 PolarHBondContact O-OG1 2.96Å
173K88.9Confident84.5Confident65 Ų6577.1 Ų77.128%0.28337%0.366SS..Hα-helixtrans-66.6-42.4176.8-78179.7-172.7165.60112.2E169 Y170 D171 K175 T176 L177 L198 M202E169-K173 PolarHBondContact O-N 2.88Å; E169-K173 VanDerWaalsContact OE1-CE 3.23Å; E169-K173 WeakPolarHBondContact OE1-CE 3.44Å; E169-K173 IonicContact OE1-NZ 3.78Å; E169-K173 PolarHBondContact OE1-NZ 3.43Å; Y170-K173 PolarHBondContact O-N 2.77Å; D171-K173 PolarHBondContact O-N 2.99Å; K173-K175 PolarHBondContact O-N 2.84Å; K173-T176 PolarHBondContact O-N 2.95Å; K173-L177 VanDerWaalsContact O-CG 3.29Å; K173-L177 WeakPolarHBondContact O-CG 3.43Å; K173-L177 PolarHBondContact O-N 3.47Å; K173-L198 HydrophobicContact CD-CD2 4.46Å; K173-M202 HydrophobicContact CD-CE 4.04Å; K173-M202 HydrophobicContact CD-SD 3.6Å; K173-M202 VanDerWaalsContact CD-SD 3.6Å
174C86.4Confident82.2Confident21 Ų2184 Ų8414%0.14241%0.409CS..Hα-helixtrans-56.1-51.3174.8-76.10000111.7Y170 D171 T176 L177 Q178 L199Y170-C174 VanDerWaalsContact CZ-SG 3.5Å; Y170-C174 PolarHBondContact O-N 3.02Å; Y170-C174 PolarHBondContact O-SG 2.86Å; Y170-C174 VanDerWaalsContact O-SG 3.35Å; D171-C174 PolarHBondContact O-N 3.34Å; C174-T176 PolarHBondContact O-N 3.41Å; C174-L177 PolarHBondContact O-N 3.28Å; C174-Q178 WeakPolarHBondContact O-CG 3.34Å; C174-Q178 PolarHBondContact O-N 3.34Å; C174-L199 WeakPolarHBondContact SG-CD2 3.33Å
175K88.5Confident80.2Confident106 Ų10689.1 Ų89.146%0.46144%0.437SS..Hα-helixtrans-63-41179-73.1172176.9163.60112.3D171 K173 L177 Q178 N179D171-K175 WeakPolarHBondContact O-CG 3.32Å; D171-K175 PolarHBondContact O-N 2.89Å; D171-K175 WeakPolarHBondContact OD1-CE 3.48Å; D171-K175 IonicContact OD1-NZ 2.68Å; D171-K175 PolarHBondContact OD1-NZ 2.8Å; D171-K175 VanDerWaalsContact OD2-CE 3.31Å; D171-K175 WeakPolarHBondContact OD2-CE 3.46Å; D171-K175 IonicContact OD2-NZ 3.97Å; D171-K175 PolarHBondContact OD2-NZ 2.79Å; K173-K175 PolarHBondContact O-N 2.84Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.89Å; K175-Q178 PolarHBondContact O-N 3.31Å; K175-N179 WeakPolarHBondContact O-CB 3.35Å; K175-N179 PolarHBondContact O-N 3.48Å; K175-N179 PolarHBondContact O-ND2 2.97Å
176T87Confident78.1Confident46 Ų4688.4 Ų88.428%0.28245%0.453SS..Hα-helixtrans-61.3-41.2177.3-58.90000111.7F172 K173 C174 R180F172-T176 WeakPolarHBondContact O-CB 3.38Å; F172-T176 PolarHBondContact O-N 3.01Å; F172-T176 PolarHBondContact O-OG1 2.96Å; K173-T176 PolarHBondContact O-N 2.95Å; C174-T176 PolarHBondContact O-N 3.41Å; T176-R180 PolarHBondContact O-N 2.87Å
177L80.3Confident76.3Confident29 Ų2990.3 Ų90.315%0.15247%0.465CS..Hα-helixtrans-69.7-45.3178.6-70.3170.6000111.9K173 C174 K175 N179 R180 E181 E195 L199K173-L177 VanDerWaalsContact O-CG 3.29Å; K173-L177 WeakPolarHBondContact O-CG 3.43Å; K173-L177 PolarHBondContact O-N 3.47Å; C174-L177 PolarHBondContact O-N 3.28Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.89Å; L177-N179 VanDerWaalsContact C-N 3.3Å; L177-N179 PolarHBondContact O-N 3.34Å; L177-R180 PolarHBondContact O-N 3.45Å; L177-R180 VanDerWaalsContact O-N 3.15Å; L177-E181 PolarHBondContact O-N 2.96Å; L177-E181 VanDerWaalsContact O-N 3.11Å; L177-E195 HydrophobicContact CD1-CB 4.25Å; L177-E195 HydrophobicContact CD2-CB 4.07Å; L177-E195 HydrophobicContact CD2-CG 4.05Å; L177-E195 WeakPolarHBondContact CD2-OE2 3.28Å; L177-L199 HydrophobicContact CD1-CD1 3.56Å; L177-L199 HydrophobicContact CD1-CD2 4.1Å; L177-L199 HydrophobicContact CD1-CG 3.81Å
178Q76.9Confident74.6Confident118 Ų11892.6 Ų92.655%0.55149%0.485SS*.Hα-helixtrans-59.8-40.5176.1-72.1174.2-1.500112.1C174 K175 R180 E181 H182C174-Q178 WeakPolarHBondContact O-CG 3.34Å; C174-Q178 PolarHBondContact O-N 3.34Å; K175-Q178 PolarHBondContact O-N 3.31Å; Q178-R180 VanDerWaalsContact C-N 3.32Å; Q178-R180 PolarHBondContact O-N 2.96Å; Q178-E181 PolarHBondContact O-N 2.77Å; Q178-H182 PolarHBondContact O-CD2 2.96Å
179N77.1Confident73Confident113 Ų11398 Ų9860%0.60451%0.505SS*.Hα-helixtrans-66.3-32.3177.3-72.5-26.1000112.9K175 L177K175-N179 WeakPolarHBondContact O-CB 3.35Å; K175-N179 PolarHBondContact O-N 3.48Å; K175-N179 PolarHBondContact O-ND2 2.97Å; L177-N179 VanDerWaalsContact C-N 3.3Å; L177-N179 PolarHBondContact O-N 3.34Å
180R71.8Confident71.5Confident140 Ų14097.2 Ų97.253%0.52851%0.509SS..Hα-helixtrans-75.6-30.6176.5-79.4-180175.5175.6-0.4113.6T176 L177 Q178 H182 E183T176-R180 PolarHBondContact O-N 2.87Å; L177-R180 PolarHBondContact O-N 3.45Å; L177-R180 VanDerWaalsContact O-N 3.15Å; Q178-R180 VanDerWaalsContact C-N 3.32Å; Q178-R180 PolarHBondContact O-N 2.96Å; R180-H182 PolarHBondContact O-N 3.12Å; R180-E183 PolarHBondContact O-N 3.33Å; R180-E183 VanDerWaalsContact O-N 3.11Å
181E61.1Low70.3Confident125 Ų12599.5 Ų99.558%0.58452%0.524SS*.Hα-helixtrans-64.8-19.1174.2-73.5-172.4155.500112.8L177 Q178L177-E181 PolarHBondContact O-N 2.96Å; L177-E181 VanDerWaalsContact O-N 3.11Å; Q178-E181 PolarHBondContact O-N 2.77Å
182H54.7Low69.1Low164 Ų16499.8 Ų99.876%0.75952%0.523SS*.THydrogen-bonded Turntrans-87.2-6.2174.1-71.7-65000114.4Q178 R180Q178-H182 PolarHBondContact O-CD2 2.96Å; R180-H182 PolarHBondContact O-N 3.12Å
183E54.8Low68.3Low138 Ų138100 Ų10065%0.64552%0.524SS*.SBendtrans-88.2127.6174.8-69.5-175160.900110.9R180 N185R180-E183 PolarHBondContact O-N 3.33Å; R180-E183 VanDerWaalsContact O-N 3.11Å; E183-N185 PolarHBondContact O-N 3.42Å
184T48.8Very low67.8Low146 Ų146103.7 Ų103.790%0.89654%0.542SS*.SBendtrans-66.36.9-171.1370000116.6
185N53.7Low67.3Low147 Ų147105.7 Ų105.779%0.78655%0.549SS*.SBendtrans-105.3104.2177.2-78.6-18.7000110.4E183 V187E183-N185 PolarHBondContact O-N 3.42Å; N185-V187 PolarHBondContact O-N 3.42Å
186G53.3Low66.9Low81 Ų81106.4 Ų106.484%0.83555%0.554SS**PPolyproline II helixtrans-57.6116-173.900000114
187V55.9Low66.8Low70 Ų70109.9 Ų109.942%0.42457%0.57SS.*PPolyproline II helixtrans-66.4143.2162.8-179.70000108.9N185 D191N185-V187 PolarHBondContact O-N 3.42Å; V187-D191 HydrophobicContact CG1-CB 3.74Å
188A60.3Low67.1Low51 Ų51112.5 Ų112.542%0.42158%0.584SS.*PPolyproline II helixtrans-59.7138.4178.600000111.1S190 D191 Q192A188-S190 PolarHBondContact O-N 2.68Å; A188-D191 PolarHBondContact O-N 3.32Å; A188-Q192 PolarHBondContact O-N 2.97Å
189K61.3Low67.6Low176 Ų176108.6 Ų108.677%0.76557%0.567SS**Hα-helixtrans-56.7-19179.8-73.1-176.6178179.10114.2
190S61.8Low68.1Low74 Ų74110.6 Ų110.652%0.51757%0.57SS.*Hα-helixtrans-70-40.3173.153.50000112.2A188 K193 Q194A188-S190 PolarHBondContact O-N 2.68Å; S190-K193 PolarHBondContact O-N 2.89Å; S190-Q194 PolarHBondContact O-N 2.73Å
191D67.8Low69.1Low75 Ų75110.5 Ų110.540%0.40157%0.573SS.*Hα-helixtrans-78-37.3-170.4-57.7-9.5000109.9V187 A188 K193 Q194 E195V187-D191 HydrophobicContact CG1-CB 3.74Å; A188-D191 PolarHBondContact O-N 3.32Å; D191-K193 VanDerWaalsContact C-N 3.33Å; D191-K193 PolarHBondContact O-N 3.29Å; D191-Q194 PolarHBondContact O-N 3.25Å; D191-Q194 VanDerWaalsContact O-N 3.16Å; D191-E195 WeakPolarHBondContact O-CG 3.39Å; D191-E195 PolarHBondContact O-N 3.07Å
192Q68.3Low70.5Confident70 Ų70105.1 Ų105.133%0.32755%0.548SS..Hα-helixtrans-58.2-40.8170-82.2-177.4-32.400113A188 Q196A188-Q192 PolarHBondContact O-N 2.97Å; Q192-Q196 WeakPolarHBondContact O-CB 3.26Å; Q192-Q196 WeakPolarHBondContact O-CG 3.29Å; Q192-Q196 PolarHBondContact O-N 3.5Å
193K75.2Confident72.3Confident146 Ų146100.7 Ų100.764%0.63553%0.525SS*.Hα-helixtrans-67.1-38.3176.9-79.2-175.5176.9-177.30111.8S190 D191 L197S190-K193 PolarHBondContact O-N 2.89Å; D191-K193 VanDerWaalsContact C-N 3.33Å; D191-K193 PolarHBondContact O-N 3.29Å; K193-L197 WeakPolarHBondContact O-CD1 3.4Å; K193-L197 WeakPolarHBondContact O-CG 3.46Å; K193-L197 PolarHBondContact O-N 3.18Å
194Q77.8Confident74.1Confident141 Ų14198.5 Ų98.566%0.65952%0.518SS*.Hα-helixtrans-69.4-37.5179.2-169.2159-22.700111.7S190 D191 L197 L198S190-Q194 PolarHBondContact O-N 2.73Å; D191-Q194 PolarHBondContact O-N 3.25Å; D191-Q194 VanDerWaalsContact O-N 3.16Å; Q194-L197 PolarHBondContact O-N 3.01Å; Q194-L198 PolarHBondContact O-N 3.13Å
195E77.4Confident76.3Confident64 Ų6495.8 Ų95.830%0.29950%0.496SS..Hα-helixtrans-69.1-40.1174.1-71.3177153.700112.3L177 D191 L197 L198 L199L177-E195 HydrophobicContact CD1-CB 4.25Å; L177-E195 HydrophobicContact CD2-CB 4.07Å; L177-E195 HydrophobicContact CD2-CG 4.05Å; L177-E195 WeakPolarHBondContact CD2-OE2 3.28Å; D191-E195 WeakPolarHBondContact O-CG 3.39Å; D191-E195 PolarHBondContact O-N 3.07Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-L197 PolarHBondContact O-N 3.38Å; E195-L198 WeakPolarHBondContact O-CB 3.33Å; E195-L198 PolarHBondContact O-N 3.38Å; E195-L199 PolarHBondContact O-N 3.12Å
196Q79.6Confident78.2Confident120 Ų12088.8 Ų88.856%0.56146%0.458SS*.Hα-helixtrans-62.1-38.5172.3-77-179.40.100112.7Q192 L198 L199 K200Q192-Q196 WeakPolarHBondContact O-CB 3.26Å; Q192-Q196 WeakPolarHBondContact O-CG 3.29Å; Q192-Q196 PolarHBondContact O-N 3.5Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; Q196-L199 PolarHBondContact O-N 3.26Å; Q196-K200 WeakPolarHBondContact O-CB 3.49Å; Q196-K200 PolarHBondContact O-N 3.36Å
197L85.4Confident80.2Confident120 Ų12085.5 Ų85.563%0.62842%0.422SS*.Hα-helixtrans-64.3-39.4173.8-78.4161.9000111.8K193 Q194 E195 K200 K201K193-L197 WeakPolarHBondContact O-CD1 3.4Å; K193-L197 WeakPolarHBondContact O-CG 3.46Å; K193-L197 PolarHBondContact O-N 3.18Å; Q194-L197 PolarHBondContact O-N 3.01Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-L197 PolarHBondContact O-N 3.38Å; L197-K200 PolarHBondContact O-N 3.33Å; L197-K201 WeakPolarHBondContact O-CB 3.18Å; L197-K201 PolarHBondContact O-N 3.46Å
198L86.7Confident82.1Confident84 Ų8486.2 Ų86.244%0.4442%0.423SS..Hα-helixtrans-63-46.8175.5-168.885.9000111.4K173 Q194 E195 Q196 K200 K201 M202K173-L198 HydrophobicContact CD-CD2 4.46Å; Q194-L198 PolarHBondContact O-N 3.13Å; E195-L198 WeakPolarHBondContact O-CB 3.33Å; E195-L198 PolarHBondContact O-N 3.38Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 3.48Å; L198-K201 WeakPolarHBondContact O-CB 3.41Å; L198-K201 PolarHBondContact O-N 2.95Å; L198-K201 VanDerWaalsContact O-N 3.15Å; L198-M202 WeakPolarHBondContact O-CG 3.32Å; L198-M202 PolarHBondContact O-N 3.33Å
199L86.5Confident83.7Confident35 Ų3587.6 Ų87.618%0.18342%0.42CS..Hα-helixtrans-60.1-43.3176.2-75.7175.2000111.9Y170 C174 L177 E195 Q196 K201 M202 Y203Y170-L199 HydrophobicContact CD2-CD2 4.3Å; Y170-L199 HydrophobicContact CE2-CD2 3.89Å; C174-L199 WeakPolarHBondContact SG-CD2 3.33Å; L177-L199 HydrophobicContact CD1-CD1 3.56Å; L177-L199 HydrophobicContact CD1-CD2 4.1Å; L177-L199 HydrophobicContact CD1-CG 3.81Å; E195-L199 PolarHBondContact O-N 3.12Å; Q196-L199 PolarHBondContact O-N 3.26Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 3.4Å; L199-M202 PolarHBondContact O-N 2.89Å; L199-Y203 WeakPolarHBondContact O-CB 3.3Å; L199-Y203 PolarHBondContact O-N 2.78Å
200K88.9Confident85.5Confident156 Ų15679.2 Ų79.268%0.67838%0.383SS*.Hα-helixtrans-63.4-36.4175.8-172.8168.5-179.9170.40112.1Q196 L197 L198 L204Q196-K200 WeakPolarHBondContact O-CB 3.49Å; Q196-K200 PolarHBondContact O-N 3.36Å; L197-K200 PolarHBondContact O-N 3.33Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 3.48Å; K200-L204 PolarHBondContact O-N 3.5Å; K200-L204 VanDerWaalsContact O-N 3.1Å
201K91.8Very high87.1Confident137 Ų13780.5 Ų80.560%0.59638%0.38SS*.Hα-helixtrans-65.4-45.4173.6-176.4179178.4176.90111.4L197 L198 L199 L204 M205L197-K201 WeakPolarHBondContact O-CB 3.18Å; L197-K201 PolarHBondContact O-N 3.46Å; L198-K201 WeakPolarHBondContact O-CB 3.41Å; L198-K201 PolarHBondContact O-N 2.95Å; L198-K201 VanDerWaalsContact O-N 3.15Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 3.4Å; K201-L204 PolarHBondContact O-N 3.47Å; K201-M205 HydrophobicContact CG-SD 4.42Å; K201-M205 WeakPolarHBondContact O-CG 3.49Å; K201-M205 PolarHBondContact O-N 2.75Å
202M91.2Very high88.5Confident12 Ų1280.3 Ų80.36%0.05938%0.376CS..Hα-helixtrans-64.8-39.5178-69.4-176.175.100112.2E169 Y170 K173 L198 L199 L204 M205 L206E169-M202 HydrophobicContact CB-CE 4.45Å; E169-M202 HydrophobicContact CG-CE 4.31Å; Y170-M202 HydrophobicContact CD2-CB 3.49Å; Y170-M202 VanDerWaalsContact CD2-CB 3.49Å; Y170-M202 HydrophobicContact CD2-CE 4.3Å; Y170-M202 HydrophobicContact CD2-CG 4.49Å; Y170-M202 HydrophobicContact CD2-SD 4.31Å; Y170-M202 HydrophobicContact CE2-CB 4Å; K173-M202 HydrophobicContact CD-CE 4.04Å; K173-M202 HydrophobicContact CD-SD 3.6Å; K173-M202 VanDerWaalsContact CD-SD 3.6Å; L198-M202 WeakPolarHBondContact O-CG 3.32Å; L198-M202 PolarHBondContact O-N 3.33Å; L199-M202 PolarHBondContact O-N 2.89Å; M202-L204 PolarHBondContact O-N 3.08Å; M202-M205 WeakPolarHBondContact O-CB 3.34Å; M202-M205 PolarHBondContact O-N 3.48Å; M202-L206 PolarHBondContact O-N 2.8Å
203Y91.8Very high89.8Confident71 Ų7177 Ų7728%0.27836%0.361SS..Hα-helixtrans-56-48.8170.9166.9-100.1000112L199 M205 L206 D207 Y287 Y289L199-Y203 WeakPolarHBondContact O-CB 3.3Å; L199-Y203 PolarHBondContact O-N 2.78Å; Y203-M205 VanDerWaalsContact C-N 3.28Å; Y203-M205 PolarHBondContact O-N 3.47Å; Y203-L206 WeakPolarHBondContact O-CB 3.48Å; Y203-L206 PolarHBondContact O-N 3.27Å; Y203-D207 PolarHBondContact O-N 2.96Å; Y203-Y287 HydrophobicContact CD2-CE1 4.17Å; Y203-Y287 WeakPolarHBondContact CD2-OH 3.49Å; Y203-Y287 HydrophobicContact CE2-CE1 4.42Å; Y203-Y287 WeakPolarHBondContact CE2-OH 3.32Å; Y203-Y289 AromaticContact CE2-CD1 3.77Å; Y203-Y289 HydrophobicContact CE2-CD1 3.77Å; Y203-Y289 AromaticContact CE2-CD2 3.9Å; Y203-Y289 HydrophobicContact CE2-CD2 3.9Å; Y203-Y289 HydrophobicContact CE2-CE1 4.07Å; Y203-Y289 HydrophobicContact CE2-CE2 4.18Å; Y203-Y289 AromaticContact CE2-CG 3.69Å; Y203-Y289 HydrophobicContact CE2-CG 3.69Å; Y203-Y289 AromaticContact CZ-CD2 3.93Å; Y203-Y289 WeakPolarHBondContact OH-CD2 3.47Å; Y203-Y289 WeakPolarHBondContact OH-CE2 3.49Å
204L93.7Very high90.9Very high93 Ų9370.3 Ų70.349%0.48733%0.332SS..Hα-helixtrans-63.8-35.7178.8-173.666.3000111.8K200 K201 M202 N208K200-L204 PolarHBondContact O-N 3.5Å; K200-L204 VanDerWaalsContact O-N 3.1Å; K201-L204 PolarHBondContact O-N 3.47Å; M202-L204 PolarHBondContact O-N 3.08Å; L204-N208 WeakPolarHBondContact O-CB 3.26Å; L204-N208 PolarHBondContact O-N 3.19Å; L204-N208 PolarHBondContact O-ND2 2.77Å
205M94.1Very high91.8Very high88 Ų8869.6 Ų69.643%0.43333%0.329SS..Hα-helixtrans-64.2-44173.8-71.1176.763.200111.7L166 K201 M202 Y203 N208 K209L166-M205 HydrophobicContact CD1-CE 4.38Å; L166-M205 HydrophobicContact CD2-CB 4.13Å; K201-M205 HydrophobicContact CG-SD 4.42Å; K201-M205 WeakPolarHBondContact O-CG 3.49Å; K201-M205 PolarHBondContact O-N 2.75Å; M202-M205 WeakPolarHBondContact O-CB 3.34Å; M202-M205 PolarHBondContact O-N 3.48Å; Y203-M205 VanDerWaalsContact C-N 3.28Å; Y203-M205 PolarHBondContact O-N 3.47Å; M205-N208 PolarHBondContact O-N 3Å; M205-K209 WeakPolarHBondContact O-CB 3.37Å; M205-K209 VanDerWaalsContact O-CG 3.32Å; M205-K209 WeakPolarHBondContact O-CG 3.44Å; M205-K209 PolarHBondContact O-N 2.72Å
206L94.1Very high92.7Very high0 Ų068.9 Ų68.90%033%0.325CS..Hα-helixtrans-60.9-48.5175.1-77.6171.6000111.6L163 L166 Q167 Y170 M202 Y203 N208 K209 R210L163-L206 HydrophobicContact CD1-CD2 3.86Å; L166-L206 HydrophobicContact CB-CD2 4.16Å; L166-L206 HydrophobicContact CD2-CD2 3.85Å; L166-L206 HydrophobicContact CD2-CG 4.2Å; L166-L206 HydrophobicContact CG-CD2 3.81Å; L166-L206 HydrophobicContact CG-CG 4.26Å; Q167-L206 HydrophobicContact CB-CD2 3.78Å; Q167-L206 HydrophobicContact CG-CD2 4.4Å; Y170-L206 HydrophobicContact CD1-CD1 3.67Å; Y170-L206 HydrophobicContact CD2-CD1 4.31Å; Y170-L206 HydrophobicContact CE1-CD1 4.31Å; Y170-L206 HydrophobicContact CG-CD1 3.65Å; M202-L206 PolarHBondContact O-N 2.8Å; Y203-L206 WeakPolarHBondContact O-CB 3.48Å; Y203-L206 PolarHBondContact O-N 3.27Å; L206-N208 PolarHBondContact O-N 3.35Å; L206-K209 PolarHBondContact O-N 2.58Å; L206-R210 WeakPolarHBondContact O-CG 3.28Å; L206-R210 PolarHBondContact O-N 3.29Å
207D94.4Very high93.6Very high13 Ų1363.2 Ų63.27%0.0730%0.298CS..Hα-helixtrans-60.7-45.1179.2177.860.1000112.2Y203 K209 R210 K211 Y289Y203-D207 PolarHBondContact O-N 2.96Å; D207-K209 VanDerWaalsContact C-N 3.34Å; D207-K209 PolarHBondContact O-N 2.86Å; D207-R210 PolarHBondContact O-N 3.12Å; D207-K211 WeakPolarHBondContact O-CG 3.49Å; D207-K211 PolarHBondContact O-N 3.4Å; D207-K211 WeakPolarHBondContact OD1-CE 3.46Å; D207-K211 IonicContact OD1-NZ 2.64Å; D207-K211 VanDerWaalsContact OD2-CE 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.11Å; D207-K211 IonicContact OD2-NZ 2.86Å; D207-K211 PolarHBondContact OD2-NZ 3.26Å; D207-Y289 VanDerWaalsContact CA-OH 3.24Å; D207-Y289 WeakPolarHBondContact CA-OH 3.31Å; D207-Y289 HydrophobicContact CB-CE2 4.41Å; D207-Y289 VanDerWaalsContact CB-OH 3.31Å; D207-Y289 WeakPolarHBondContact CB-OH 3.34Å; D207-Y289 WeakPolarHBondContact OD1-CE2 3.43Å; D207-Y289 PolarHBondContact OD1-OH 3.45Å
208N95.6Very high94.1Very high85 Ų8559.9 Ų59.946%0.45528%0.28SS..Hα-helixtrans-62.1-41.9175.8-73.2-23.2000111.8L204 M205 L206 K211 E212L204-N208 WeakPolarHBondContact O-CB 3.26Å; L204-N208 PolarHBondContact O-N 3.19Å; L204-N208 PolarHBondContact O-ND2 2.77Å; M205-N208 PolarHBondContact O-N 3Å; L206-N208 PolarHBondContact O-N 3.35Å; N208-K211 PolarHBondContact O-N 2.98Å; N208-E212 WeakPolarHBondContact O-CB 3.44Å; N208-E212 PolarHBondContact O-N 3.06Å
209K95.2Very high94.6Very high79 Ų7959.9 Ų59.934%0.34328%0.278SS..Hα-helixtrans-67.6-40.8178.2-77.3-73.7168.7-160.10112.4L163 L166 M205 L206 D207 E212 V213L163-K209 HydrophobicContact CD1-CB 3.83Å; L166-K209 HydrophobicContact CD2-CG 4.33Å; M205-K209 WeakPolarHBondContact O-CB 3.37Å; M205-K209 VanDerWaalsContact O-CG 3.32Å; M205-K209 WeakPolarHBondContact O-CG 3.44Å; M205-K209 PolarHBondContact O-N 2.72Å; L206-K209 PolarHBondContact O-N 2.58Å; D207-K209 VanDerWaalsContact C-N 3.34Å; D207-K209 PolarHBondContact O-N 2.86Å; K209-E212 IonicContact NZ-OE2 3.21Å; K209-E212 PolarHBondContact NZ-OE2 2.87Å; K209-E212 PolarHBondContact O-N 3.28Å; K209-V213 WeakPolarHBondContact O-CG2 3.44Å; K209-V213 PolarHBondContact O-N 2.72Å
210R97.3Very high95.2Very high0 Ų058.2 Ų58.20%027%0.27CS..Hα-helixtrans-61.5-43.8173.6-70.2-177.5172.7-161.11111.6L163 L206 D207 E212 V213 V214 L283 Y287 D292 P293 I294L163-R210 HydrophobicContact CD1-CG 3.84Å; L163-R210 HydrophobicContact CD2-CG 3.89Å; L163-R210 HydrophobicContact CG-CG 4.48Å; L206-R210 WeakPolarHBondContact O-CG 3.28Å; L206-R210 PolarHBondContact O-N 3.29Å; D207-R210 PolarHBondContact O-N 3.12Å; R210-E212 PolarHBondContact O-N 3.05Å; R210-V213 PolarHBondContact O-N 3.35Å; R210-V214 WeakPolarHBondContact O-CB 3.38Å; R210-V214 VanDerWaalsContact O-CG2 3.28Å; R210-V214 WeakPolarHBondContact O-CG2 3.16Å; R210-V214 PolarHBondContact O-N 3.5Å; R210-L283 PolarHBondContact NH2-O 3.33Å; R210-Y287 PolarHBondContact NH1-O 2.9Å; R210-Y287 VanDerWaalsContact NH1-O 3.11Å; R210-Y287 PolarHBondContact NH2-O 3.4Å; R210-D292 IonicContact CZ-OD2 2.95Å; R210-D292 IonicContact NH1-OD1 3.92Å; R210-D292 PolarHBondContact NH1-OD1 3.27Å; R210-D292 IonicContact NH1-OD2 3.89Å; R210-D292 PolarHBondContact NH1-OD2 3.11Å; R210-P293 HydrophobicContact CB-CG 3.53Å; R210-I294 HydrophobicContact CB-CG1 4.37Å; R210-I294 HydrophobicContact CG-CD1 3.92Å; R210-I294 HydrophobicContact CG-CG1 4.28Å
211K96.5Very high95.6Very high102 Ų10250.8 Ų50.844%0.44324%0.237SC..Hα-helixtrans-60.8-43174.7-74.3171.1179.4162.60112.2D207 N208 H215 P293D207-K211 WeakPolarHBondContact O-CG 3.49Å; D207-K211 PolarHBondContact O-N 3.4Å; D207-K211 WeakPolarHBondContact OD1-CE 3.46Å; D207-K211 IonicContact OD1-NZ 2.64Å; D207-K211 VanDerWaalsContact OD2-CE 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.11Å; D207-K211 IonicContact OD2-NZ 2.86Å; D207-K211 PolarHBondContact OD2-NZ 3.26Å; N208-K211 PolarHBondContact O-N 2.98Å; K211-H215 WeakPolarHBondContact O-CB 3.32Å; K211-H215 PolarHBondContact O-N 2.92Å; K211-P293 HydrophobicContact CG-CB 4.02Å; K211-P293 HydrophobicContact CG-CG 3.93Å
212E96.5Very high95.8Very high70 Ų7047.6 Ų47.633%0.32723%0.227SC..Hα-helixtrans-61.6-49.3178-171.6-179.8-177.100111.6N208 K209 R210 H215 K216N208-E212 WeakPolarHBondContact O-CB 3.44Å; N208-E212 PolarHBondContact O-N 3.06Å; K209-E212 IonicContact NZ-OE2 3.21Å; K209-E212 PolarHBondContact NZ-OE2 2.87Å; K209-E212 PolarHBondContact O-N 3.28Å; R210-E212 PolarHBondContact O-N 3.05Å; E212-H215 PolarHBondContact O-N 3.46Å; E212-K216 HydrophobicContact CG-CD 4.47Å; E212-K216 PolarHBondContact O-N 2.89Å; E212-K216 IonicContact OE1-NZ 3.47Å; E212-K216 PolarHBondContact OE1-NZ 3.07Å
213V97.2Very high96.1Very high1 Ų148.4 Ų48.41%0.00623%0.232CC..Hα-helixtrans-61-48.4177.9169.70000111.1E159 I160 L163 K209 R210 H215 K216 I217 L280E159-V213 HydrophobicContact CB-CG2 3.96Å; I160-V213 HydrophobicContact CD1-CG1 3.98Å; I160-V213 HydrophobicContact CG1-CG1 3.62Å; I160-V213 HydrophobicContact CG1-CG2 4.42Å; L163-V213 HydrophobicContact CD2-CG2 4.36Å; K209-V213 WeakPolarHBondContact O-CG2 3.44Å; K209-V213 PolarHBondContact O-N 2.72Å; R210-V213 PolarHBondContact O-N 3.35Å; V213-H215 VanDerWaalsContact C-N 3.3Å; V213-H215 PolarHBondContact O-N 3.09Å; V213-K216 PolarHBondContact O-N 3.42Å; V213-I217 HydrophobicContact CG1-CD1 3.84Å; V213-I217 HydrophobicContact CG1-CG1 4.44Å; V213-I217 WeakPolarHBondContact O-CG1 3.18Å; V213-I217 PolarHBondContact O-N 2.99Å; V213-L280 HydrophobicContact CG1-CD1 4.17Å; V213-L280 HydrophobicContact CG1-CD2 4.18Å
214V97.3Very high96.4Very high6 Ų645.1 Ų45.14%0.03622%0.219CC..Hα-helixtrans-59.5-42.6178.2167.70000111R210 K216 I217 I218 P293 N297 L301R210-V214 WeakPolarHBondContact O-CB 3.38Å; R210-V214 VanDerWaalsContact O-CG2 3.28Å; R210-V214 WeakPolarHBondContact O-CG2 3.16Å; R210-V214 PolarHBondContact O-N 3.5Å; V214-K216 PolarHBondContact O-N 2.95Å; V214-I217 PolarHBondContact O-N 2.83Å; V214-I218 HydrophobicContact CG1-CD1 3.99Å; V214-I218 VanDerWaalsContact O-CG1 3.32Å; V214-I218 WeakPolarHBondContact O-CG1 3.42Å; V214-I218 PolarHBondContact O-N 2.94Å; V214-P293 HydrophobicContact CG2-CB 4.4Å; V214-N297 HydrophobicContact CG1-CB 3.89Å; V214-L301 HydrophobicContact CG1-CD1 4.39Å
215H96.6Very high96.6Very high125 Ų12544.4 Ų44.458%0.57921%0.214SC*.Hα-helixtrans-61.2-44.8177.1-177.871.2000112.1K211 E212 V213 I218 E219K211-H215 WeakPolarHBondContact O-CB 3.32Å; K211-H215 PolarHBondContact O-N 2.92Å; E212-H215 PolarHBondContact O-N 3.46Å; V213-H215 VanDerWaalsContact C-N 3.3Å; V213-H215 PolarHBondContact O-N 3.09Å; H215-I218 PolarHBondContact O-N 2.82Å; H215-E219 PolarHBondContact O-N 3.04Å
216K96.9Very high96.6Very high49 Ų4946 Ų4621%0.21322%0.223CC..Hα-helixtrans-65.5-37.6177.8-73.3175.6-176162.30112.5I156 E159 E212 V213 V214 E219 L220I156-K216 HydrophobicContact CD1-CB 4.13Å; I156-K216 HydrophobicContact CG1-CB 3.81Å; E159-K216 WeakPolarHBondContact OE1-CD 3.46Å; E159-K216 WeakPolarHBondContact OE1-CE 3.44Å; E159-K216 IonicContact OE1-NZ 2.66Å; E159-K216 PolarHBondContact OE1-NZ 3.22Å; E159-K216 VanDerWaalsContact OE2-CD 3.27Å; E159-K216 WeakPolarHBondContact OE2-CD 2.66Å; E159-K216 IonicContact OE2-NZ 2.8Å; E159-K216 PolarHBondContact OE2-NZ 2.84Å; E212-K216 HydrophobicContact CG-CD 4.47Å; E212-K216 PolarHBondContact O-N 2.89Å; E212-K216 IonicContact OE1-NZ 3.47Å; E212-K216 PolarHBondContact OE1-NZ 3.07Å; V213-K216 PolarHBondContact O-N 3.42Å; V214-K216 PolarHBondContact O-N 2.95Å; K216-E219 PolarHBondContact O-N 2.93Å; K216-L220 VanDerWaalsContact O-CB 3.26Å; K216-L220 WeakPolarHBondContact O-CB 3.47Å; K216-L220 PolarHBondContact O-N 3.45Å
217I97.3Very high96.7Very high1 Ų146.1 Ų46.11%0.00522%0.224CC..Hα-helixtrans-62.8-43.8173.6-65.2167.3000110.6I156 V213 V214 E219 L220 L221 V273 L277 L280 L301I156-I217 HydrophobicContact CD1-CG1 4.12Å; I156-I217 HydrophobicContact CG2-CD1 4.23Å; I156-I217 HydrophobicContact CG2-CG1 3.73Å; V213-I217 HydrophobicContact CG1-CD1 3.84Å; V213-I217 HydrophobicContact CG1-CG1 4.44Å; V213-I217 WeakPolarHBondContact O-CG1 3.18Å; V213-I217 PolarHBondContact O-N 2.99Å; V214-I217 PolarHBondContact O-N 2.83Å; I217-E219 PolarHBondContact O-N 2.86Å; I217-L220 PolarHBondContact O-N 3.21Å; I217-L221 HydrophobicContact CG2-CD1 4.32Å; I217-L221 HydrophobicContact CG2-CG 4.44Å; I217-L221 WeakPolarHBondContact O-CG 3.42Å; I217-L221 PolarHBondContact O-N 3.16Å; I217-V273 HydrophobicContact CG2-CG1 4.22Å; I217-L277 HydrophobicContact CD1-CD2 4.32Å; I217-L277 HydrophobicContact CG2-CD2 4.43Å; I217-L280 HydrophobicContact CD1-CD1 3.61Å; I217-L301 HydrophobicContact CG2-CD1 4.08Å; I217-L301 HydrophobicContact CG2-CD2 4.09Å
218I97.1Very high96.8Very high50 Ų5045.5 Ų45.526%0.25622%0.221SC..Hα-helixtrans-60.5-47.8176.3-67165.8000110.6V214 H215 L220 L221 N222 L301V214-I218 HydrophobicContact CG1-CD1 3.99Å; V214-I218 VanDerWaalsContact O-CG1 3.32Å; V214-I218 WeakPolarHBondContact O-CG1 3.42Å; V214-I218 PolarHBondContact O-N 2.94Å; H215-I218 PolarHBondContact O-N 2.82Å; I218-L220 VanDerWaalsContact C-N 3.35Å; I218-L220 PolarHBondContact O-N 3.29Å; I218-L221 PolarHBondContact O-N 3.27Å; I218-N222 PolarHBondContact O-N 2.76Å; I218-N222 PolarHBondContact O-ND2 3.16Å; I218-N222 PolarHBondContact O-OD1 3.09Å; I218-L301 HydrophobicContact CG1-CD2 3.66Å
219E97.3Very high96.8Very high84 Ų8444.2 Ų44.239%0.39321%0.214SC..Hα-helixtrans-61-44.5179.2-165.1-158.5179.500111.4K152 H215 K216 I217 N222 V223K152-E219 IonicContact NZ-OE1 3.69Å; K152-E219 PolarHBondContact NZ-OE1 3.39Å; K152-E219 IonicContact NZ-OE2 2.64Å; K152-E219 PolarHBondContact NZ-OE2 3.5Å; H215-E219 PolarHBondContact O-N 3.04Å; K216-E219 PolarHBondContact O-N 2.93Å; I217-E219 PolarHBondContact O-N 2.86Å; E219-N222 WeakPolarHBondContact O-CB 3.39Å; E219-N222 PolarHBondContact O-N 3.16Å; E219-V223 WeakPolarHBondContact O-CG2 3.36Å; E219-V223 PolarHBondContact O-N 2.95Å
220L97.6Very high96.8Very high1 Ų141.5 Ų41.51%0.00521%0.206CC..Hα-helixtrans-57.5-49.3174.5175.786.3000111.3V149 K152 V153 I156 K216 I217 I218 N222 V223 T224 V273V149-L220 HydrophobicContact CG1-CD1 4.44Å; V149-L220 WeakPolarHBondContact O-CD1 3.32Å; K152-L220 HydrophobicContact CB-CD1 3.39Å; K152-L220 HydrophobicContact CD-CD1 4.47Å; V153-L220 HydrophobicContact CG2-CD1 3.64Å; V153-L220 HydrophobicContact CG2-CD2 3.58Å; V153-L220 HydrophobicContact CG2-CG 4.21Å; I156-L220 HydrophobicContact CD1-CB 3.81Å; I156-L220 HydrophobicContact CD1-CD2 3.86Å; I156-L220 HydrophobicContact CD1-CG 4.26Å; K216-L220 VanDerWaalsContact O-CB 3.26Å; K216-L220 WeakPolarHBondContact O-CB 3.47Å; K216-L220 PolarHBondContact O-N 3.45Å; I217-L220 PolarHBondContact O-N 3.21Å; I218-L220 VanDerWaalsContact C-N 3.35Å; I218-L220 PolarHBondContact O-N 3.29Å; L220-N222 VanDerWaalsContact C-N 3.26Å; L220-N222 PolarHBondContact O-N 2.87Å; L220-V223 PolarHBondContact O-N 3.42Å; L220-T224 WeakPolarHBondContact O-CB 3.4Å; L220-T224 PolarHBondContact O-N 3.11Å; L220-T224 PolarHBondContact O-OG1 2.97Å; L220-V273 HydrophobicContact CD2-CG2 3.2Å
221L97.6Very high96.7Very high0 Ų041.5 Ų41.50%021%0.206CC..Hα-helixtrans-60.4-38.2-180-70.7179.7000111.4I217 I218 T224 E225 L270 V273 L301 R304 L308I217-L221 HydrophobicContact CG2-CD1 4.32Å; I217-L221 HydrophobicContact CG2-CG 4.44Å; I217-L221 WeakPolarHBondContact O-CG 3.42Å; I217-L221 PolarHBondContact O-N 3.16Å; I218-L221 PolarHBondContact O-N 3.27Å; L221-T224 PolarHBondContact O-N 2.91Å; L221-E225 VanDerWaalsContact O-CB 3.28Å; L221-E225 WeakPolarHBondContact O-CB 3.44Å; L221-E225 PolarHBondContact O-N 3.38Å; L221-L270 HydrophobicContact CD2-CD2 4.32Å; L221-V273 HydrophobicContact CD2-CG1 4.33Å; L221-L301 HydrophobicContact CD1-CD2 3.9Å; L221-R304 HydrophobicContact CD1-CB 4.1Å; L221-L308 HydrophobicContact CD2-CD1 4.13Å
222N97.2Very high96.7Very high69 Ų6937.2 Ų37.237%0.36919%0.188SC..Hα-helixtrans-63.9-45.9175.3-61.7-21.6000111.8I218 E219 L220 T224 E225 L226 R304I218-N222 PolarHBondContact O-N 2.76Å; I218-N222 PolarHBondContact O-ND2 3.16Å; I218-N222 PolarHBondContact O-OD1 3.09Å; E219-N222 WeakPolarHBondContact O-CB 3.39Å; E219-N222 PolarHBondContact O-N 3.16Å; L220-N222 VanDerWaalsContact C-N 3.26Å; L220-N222 PolarHBondContact O-N 2.87Å; N222-T224 VanDerWaalsContact C-N 3.32Å; N222-T224 PolarHBondContact O-N 2.69Å; N222-E225 PolarHBondContact O-N 3.29Å; N222-L226 WeakPolarHBondContact O-CG 3.3Å; N222-L226 PolarHBondContact O-N 3.38Å; N222-L226 VanDerWaalsContact O-N 3.08Å; N222-R304 PolarHBondContact OD1-NH1 3.15Å; N222-R304 PolarHBondContact OD1-NH2 3.18Å
223V97.1Very high96.6Very high29 Ų2937.9 Ų37.918%0.17619%0.194CC..Hα-helixtrans-64.5-39.51771740000111.1V149 E219 L220 L226 T227V149-V223 HydrophobicContact CG2-CG1 3.95Å; E219-V223 WeakPolarHBondContact O-CG2 3.36Å; E219-V223 PolarHBondContact O-N 2.95Å; L220-V223 PolarHBondContact O-N 3.42Å; V223-L226 PolarHBondContact O-N 2.99Å; V223-T227 WeakPolarHBondContact O-CB 3.4Å; V223-T227 PolarHBondContact O-N 3.09Å; V223-T227 PolarHBondContact O-OG1 3.22Å
224T97.4Very high96.3Very high2 Ų241.7 Ų41.71%0.01221%0.214CC..Hα-helixtrans-65-45.9179.2-55.50000110.6V149 L220 L221 N222 L226 T227 Q228 V266 L270V149-T224 HydrophobicContact CG1-CG2 4.35Å; L220-T224 WeakPolarHBondContact O-CB 3.4Å; L220-T224 PolarHBondContact O-N 3.11Å; L220-T224 PolarHBondContact O-OG1 2.97Å; L221-T224 PolarHBondContact O-N 2.91Å; N222-T224 VanDerWaalsContact C-N 3.32Å; N222-T224 PolarHBondContact O-N 2.69Å; T224-L226 PolarHBondContact O-N 2.85Å; T224-T227 PolarHBondContact O-N 2.99Å; T224-Q228 WeakPolarHBondContact O-CB 3.18Å; T224-Q228 PolarHBondContact O-N 2.85Å; T224-V266 HydrophobicContact CG2-CG1 3.83Å; T224-L270 HydrophobicContact CG2-CD1 4.39Å; T224-L270 HydrophobicContact CG2-CD2 3.91Å; T224-L270 HydrophobicContact CG2-CG 4.1Å
225E97.4Very high96.1Very high78 Ų7842 Ų4236%0.36422%0.215SC..Hα-helixtrans-59.8-46176.3-179.4168.6-157.900112.1L221 N222 T227 Q228 N229 R304 L308L221-E225 VanDerWaalsContact O-CB 3.28Å; L221-E225 WeakPolarHBondContact O-CB 3.44Å; L221-E225 PolarHBondContact O-N 3.38Å; N222-E225 PolarHBondContact O-N 3.29Å; E225-T227 PolarHBondContact O-N 3.34Å; E225-Q228 PolarHBondContact O-N 3.14Å; E225-N229 WeakPolarHBondContact O-CB 3.48Å; E225-N229 PolarHBondContact O-N 3.4Å; E225-N229 PolarHBondContact O-ND2 3.33Å; E225-R304 IonicContact OE2-NH2 2.78Å; E225-R304 PolarHBondContact OE2-NH2 2.82Å; E225-R304 VanDerWaalsContact OE2-NH2 3.08Å; E225-L308 HydrophobicContact CB-CD1 4.23Å; E225-L308 HydrophobicContact CB-CD2 3.83Å; E225-L308 HydrophobicContact CG-CD2 3.9Å
226L95.9Very high96Very high122 Ų12236.2 Ų36.264%0.63919%0.188SC*.Hα-helixtrans-62.1-42.7175.9-70.6172000112.3N222 V223 T224 N229 A230N222-L226 WeakPolarHBondContact O-CG 3.3Å; N222-L226 PolarHBondContact O-N 3.38Å; N222-L226 VanDerWaalsContact O-N 3.08Å; V223-L226 PolarHBondContact O-N 2.99Å; T224-L226 PolarHBondContact O-N 2.85Å; L226-N229 PolarHBondContact O-N 2.94Å; L226-A230 PolarHBondContact O-N 2.74Å
227T95.8Very high95.8Very high2 Ų237.6 Ų37.61%0.01220%0.201CC..Hα-helixtrans-67.7-42.5178.6-55.60000111.2L142 K145 V146 V223 T224 E225 N229 A230 L231L142-T227 HydrophobicContact CD1-CG2 3.96Å; K145-T227 HydrophobicContact CB-CG2 3.83Å; V146-T227 HydrophobicContact CG2-CG2 3.84Å; V223-T227 WeakPolarHBondContact O-CB 3.4Å; V223-T227 PolarHBondContact O-N 3.09Å; V223-T227 PolarHBondContact O-OG1 3.22Å; T224-T227 PolarHBondContact O-N 2.99Å; E225-T227 PolarHBondContact O-N 3.34Å; T227-N229 VanDerWaalsContact C-N 3.32Å; T227-N229 PolarHBondContact O-N 3.4Å; T227-A230 PolarHBondContact O-N 2.85Å; T227-L231 WeakPolarHBondContact O-CB 3.45Å; T227-L231 PolarHBondContact O-N 3.32Å
228Q96.6Very high95.5Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..Hα-helixtrans-62.5-38.6177.2174.4169.7-34.400111.7T224 E225 L231 I232 L308 L312T224-Q228 WeakPolarHBondContact O-CB 3.18Å; T224-Q228 PolarHBondContact O-N 2.85Å; E225-Q228 PolarHBondContact O-N 3.14Å; Q228-L231 PolarHBondContact O-N 3.09Å; Q228-I232 HydrophobicContact CG-CD1 3.47Å; Q228-I232 VanDerWaalsContact CG-CD1 3.47Å; Q228-I232 HydrophobicContact CG-CG1 4.21Å; Q228-I232 WeakPolarHBondContact O-CB 3.36Å; Q228-I232 WeakPolarHBondContact O-CG1 3.33Å; Q228-I232 PolarHBondContact O-N 3.23Å; Q228-L308 PolarHBondContact NE2-O 3.48Å; Q228-L308 PolarHBondContact OE1-O 3.14Å; Q228-L312 HydrophobicContact CG-CD1 4.15Å
229N95.6Very high95.4Very high58 Ų5838.1 Ų38.131%0.3120%0.202SC..Hα-helixtrans-62.7-44.3176.3-79.6-33.8000112.3E225 L226 T227 L231 N233E225-N229 WeakPolarHBondContact O-CB 3.48Å; E225-N229 PolarHBondContact O-N 3.4Å; E225-N229 PolarHBondContact O-ND2 3.33Å; L226-N229 PolarHBondContact O-N 2.94Å; T227-N229 VanDerWaalsContact C-N 3.32Å; T227-N229 PolarHBondContact O-N 3.4Å; N229-L231 VanDerWaalsContact C-N 3.35Å; N229-N233 VanDerWaalsContact O-CB 3.23Å; N229-N233 WeakPolarHBondContact O-CB 3.46Å; N229-N233 PolarHBondContact O-N 3.17Å; N229-N233 PolarHBondContact O-ND2 3.43Å
230A94.6Very high95.2Very high21 Ų2138.2 Ų38.217%0.17420%0.201CC..Hα-helixtrans-63.1-42.4174.600000111.5L142 L226 T227 I232 D234 E235L142-A230 HydrophobicContact CD1-CB 4.22Å; L226-A230 PolarHBondContact O-N 2.74Å; T227-A230 PolarHBondContact O-N 2.85Å; A230-I232 PolarHBondContact O-N 3.09Å; A230-D234 VanDerWaalsContact O-CB 3.29Å; A230-D234 WeakPolarHBondContact O-CB 3.42Å; A230-D234 PolarHBondContact O-N 3.49Å; A230-D234 VanDerWaalsContact O-N 3.09Å; A230-E235 PolarHBondContact O-N 3.02Å
231L95.3Very high94.9Very high0 Ų042.1 Ų42.10%022%0.216CC..Iπ-helixtrans-63.1-43.6179.2-179.861.9000113L142 T227 Q228 N229 L236 L259 W262 F263 L312L142-L231 HydrophobicContact CD2-CD1 4.17Å; T227-L231 WeakPolarHBondContact O-CB 3.45Å; T227-L231 PolarHBondContact O-N 3.32Å; Q228-L231 PolarHBondContact O-N 3.09Å; N229-L231 VanDerWaalsContact C-N 3.35Å; L231-L236 WeakPolarHBondContact O-CB 3.47Å; L231-L236 PolarHBondContact O-N 3.22Å; L231-L236 VanDerWaalsContact O-N 3.08Å; L231-L259 HydrophobicContact CD1-CD2 4.11Å; L231-W262 HydrophobicContact CD1-CB 3.81Å; L231-W262 HydrophobicContact CD1-CD2 4.41Å; L231-W262 HydrophobicContact CD1-CE3 3.77Å; L231-W262 HydrophobicContact CD1-CG 4.49Å; L231-W262 HydrophobicContact CD2-CB 4.21Å; L231-F263 HydrophobicContact CD1-CD2 3.75Å; L231-F263 HydrophobicContact CD1-CE2 3.54Å; L231-F263 HydrophobicContact CD1-CZ 4.38Å; L231-F263 HydrophobicContact CD2-CD1 4.22Å; L231-F263 HydrophobicContact CD2-CD2 3.69Å; L231-F263 HydrophobicContact CD2-CE1 4.31Å; L231-F263 HydrophobicContact CD2-CE2 3.8Å; L231-F263 HydrophobicContact CD2-CG 3.91Å; L231-F263 HydrophobicContact CD2-CZ 4.11Å; L231-F263 HydrophobicContact CG-CD2 3.82Å; L231-F263 HydrophobicContact CG-CE1 4.47Å; L231-F263 HydrophobicContact CG-CE2 3.45Å; L231-F263 VanDerWaalsContact CG-CE2 3.45Å; L231-F263 HydrophobicContact CG-CG 4.48Å; L231-F263 HydrophobicContact CG-CZ 3.81Å; L231-L312 HydrophobicContact CD2-CD1 4.14Å
232I95.8Very high94.6Very high12 Ų1245 Ų456%0.06223%0.227CC..Iπ-helixtrans-83.9-42.3-175.3-64.5173.5000112Q228 A230 L236 F263 Q311 L312Q228-I232 HydrophobicContact CG-CD1 3.47Å; Q228-I232 VanDerWaalsContact CG-CD1 3.47Å; Q228-I232 HydrophobicContact CG-CG1 4.21Å; Q228-I232 WeakPolarHBondContact O-CB 3.36Å; Q228-I232 WeakPolarHBondContact O-CG1 3.33Å; Q228-I232 PolarHBondContact O-N 3.23Å; A230-I232 PolarHBondContact O-N 3.09Å; I232-L236 WeakPolarHBondContact O-CB 3.16Å; I232-F263 HydrophobicContact CG1-CE1 4.29Å; I232-F263 HydrophobicContact CG1-CZ 4.19Å; I232-Q311 HydrophobicContact CD1-CG 4.16Å; I232-L312 HydrophobicContact CD1-CD1 4.37Å
233N94.3Very high94.4Very high85 Ų8542.4 Ų42.446%0.45521%0.212SC..Iπ-helixtrans-91.8-23.7-170.9-58.7-41.5000113.3N229 V237N229-N233 VanDerWaalsContact O-CB 3.23Å; N229-N233 WeakPolarHBondContact O-CB 3.46Å; N229-N233 PolarHBondContact O-N 3.17Å; N229-N233 PolarHBondContact O-ND2 3.43Å; N233-V237 WeakPolarHBondContact O-CB 3.48Å; N233-V237 WeakPolarHBondContact O-CG2 3.41Å
234D92.3Very high94.2Very high81 Ų8141.3 Ų41.343%0.43321%0.205SC..Iπ-helixtrans-105.7-71178.9-53.6-27.1000110.1A230 L236 V237 E238A230-D234 VanDerWaalsContact O-CB 3.29Å; A230-D234 WeakPolarHBondContact O-CB 3.42Å; A230-D234 PolarHBondContact O-N 3.49Å; A230-D234 VanDerWaalsContact O-N 3.09Å; D234-L236 PolarHBondContact O-N 3.28Å; D234-V237 PolarHBondContact O-N 2.81Å; D234-E238 WeakPolarHBondContact O-CB 3.23Å; D234-E238 WeakPolarHBondContact O-CG 3.36Å; D234-E238 PolarHBondContact O-N 3.3Å
235E92.8Very high93.9Very high11 Ų1142.4 Ų42.45%0.05121%0.213CC..Iπ-helixtrans-63.6-44.1-169.4-67-60.3142.400113.3L142 A230 W239 L259 W262L142-E235 HydrophobicContact CD2-CB 4.48Å; L142-E235 HydrophobicContact CD2-CG 3.5Å; L142-E235 VanDerWaalsContact CD2-CG 3.5Å; A230-E235 PolarHBondContact O-N 3.02Å; E235-W239 WeakPolarHBondContact O-CB 3.5Å; E235-W239 PolarHBondContact O-N 2.89Å; E235-L259 HydrophobicContact CB-CD2 3.78Å; E235-W262 HydrophobicContact CB-CZ3 4.35Å; E235-W262 HydrophobicContact CG-CZ3 3.95Å
236L94.4Very high93.7Very high4 Ų440.1 Ų40.12%0.02121%0.208CC..Hα-helixtrans-67.5-37.7177.6-179.966.4000111.9L231 I232 D234 W239 K240 F263 S315 V318 L348L231-L236 WeakPolarHBondContact O-CB 3.47Å; L231-L236 PolarHBondContact O-N 3.22Å; L231-L236 VanDerWaalsContact O-N 3.08Å; I232-L236 WeakPolarHBondContact O-CB 3.16Å; D234-L236 PolarHBondContact O-N 3.28Å; L236-W239 HydrophobicContact CD1-CE3 4.48Å; L236-W239 PolarHBondContact O-N 3.36Å; L236-K240 VanDerWaalsContact O-CG 3.31Å; L236-K240 WeakPolarHBondContact O-CG 3.32Å; L236-K240 PolarHBondContact O-N 3.44Å; L236-F263 HydrophobicContact CB-CZ 4.46Å; L236-F263 HydrophobicContact CD2-CZ 4.11Å; L236-S315 WeakPolarHBondContact CD2-O 3.47Å; L236-V318 HydrophobicContact CD1-CG1 4.08Å; L236-L348 HydrophobicContact CD1-CD1 3.92Å
237V93.2Very high93.5Very high78 Ų7835.5 Ų35.547%0.47319%0.185SC..Hα-helixtrans-70.3-44.8178.8177.20000110.4N233 D234 W239 K240 R241N233-V237 WeakPolarHBondContact O-CB 3.48Å; N233-V237 WeakPolarHBondContact O-CG2 3.41Å; D234-V237 PolarHBondContact O-N 2.81Å; V237-W239 VanDerWaalsContact C-N 3.31Å; V237-W239 PolarHBondContact O-N 3.08Å; V237-K240 PolarHBondContact O-N 3.18Å; V237-R241 PolarHBondContact O-N 3.38Å
238E91.3Very high93.4Very high58 Ų5835.5 Ų35.527%0.27119%0.185SC..Hα-helixtrans-59.6-42.2173.8-74-172.7-169.300111.1K138 D234 R241 R242K138-E238 IonicContact NZ-OE1 3.32Å; K138-E238 PolarHBondContact NZ-OE1 2.91Å; D234-E238 WeakPolarHBondContact O-CB 3.23Å; D234-E238 WeakPolarHBondContact O-CG 3.36Å; D234-E238 PolarHBondContact O-N 3.3Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R242 WeakPolarHBondContact O-CB 3.41Å; E238-R242 WeakPolarHBondContact O-CG 3.42Å; E238-R242 PolarHBondContact O-N 3.18Å; E238-R242 PolarHBondContact O-NE 3.02Å
239W93.6Very high93.1Very high5 Ų536.3 Ų36.32%0.01919%0.193CC..Hα-helixtrans-64.1-43.4175177.988.1000112.4E235 L236 V237 R241 R242 Q243 N253 A254 L256 L259 V318E235-W239 WeakPolarHBondContact O-CB 3.5Å; E235-W239 PolarHBondContact O-N 2.89Å; L236-W239 HydrophobicContact CD1-CE3 4.48Å; L236-W239 PolarHBondContact O-N 3.36Å; V237-W239 VanDerWaalsContact C-N 3.31Å; V237-W239 PolarHBondContact O-N 3.08Å; W239-R241 VanDerWaalsContact C-N 3.27Å; W239-R241 PolarHBondContact O-N 3.23Å; W239-R242 PolarHBondContact O-N 2.93Å; W239-Q243 HydrophobicContact CH2-CB 4.46Å; W239-Q243 HydrophobicContact CH2-CG 4.37Å; W239-Q243 HydrophobicContact CZ2-CB 4.5Å; W239-Q243 WeakPolarHBondContact O-CB 3.27Å; W239-Q243 PolarHBondContact O-N 3.38Å; W239-N253 VanDerWaalsContact CE2-ND2 3.3Å; W239-N253 PolarHBondContact NE1-ND2 2.89Å; W239-A254 PolarHBondContact NE1-O 2.82Å; W239-A254 VanDerWaalsContact NE1-O 3.12Å; W239-L256 HydrophobicContact CD2-CD2 3.64Å; W239-L256 HydrophobicContact CE3-CD2 4.11Å; W239-L256 HydrophobicContact CG-CD2 4.24Å; W239-L256 HydrophobicContact CH2-CD1 4.03Å; W239-L256 HydrophobicContact CH2-CD2 3.83Å; W239-L256 HydrophobicContact CH2-CG 4.21Å; W239-L256 HydrophobicContact CZ2-CD1 3.72Å; W239-L256 HydrophobicContact CZ2-CD2 3.3Å; W239-L256 HydrophobicContact CZ2-CG 3.5Å; W239-L256 VanDerWaalsContact CZ2-CG 3.5Å; W239-L256 HydrophobicContact CZ3-CD2 4.2Å; W239-L259 HydrophobicContact CB-CD1 3.66Å; W239-L259 HydrophobicContact CD2-CD1 4.2Å; W239-L259 HydrophobicContact CG-CD1 3.63Å; W239-V318 HydrophobicContact CZ3-CB 4.49Å; W239-V318 HydrophobicContact CZ3-CG2 4.49Å
240K92.6Very high92.7Very high85 Ų8534.1 Ų34.137%0.3719%0.185SC..Hα-helixtrans-60.1-39.4174.8-76.2175.8-177.9177.10111.2L236 V237 Q243 Q244L236-K240 VanDerWaalsContact O-CG 3.31Å; L236-K240 WeakPolarHBondContact O-CG 3.32Å; L236-K240 PolarHBondContact O-N 3.44Å; V237-K240 PolarHBondContact O-N 3.18Å; K240-Q243 WeakPolarHBondContact O-CB 3.37Å; K240-Q243 PolarHBondContact O-N 3.49Å; K240-Q244 WeakPolarHBondContact O-CG 3.47Å; K240-Q244 PolarHBondContact O-N 3.08Å
241R91.9Very high92.1Very high84 Ų8436.9 Ų36.932%0.31720%0.201SC..Hα-helixtrans-67.3-41.7176.5-172.557.8174.7168.23.5112.3V237 E238 W239 Q243 Q244 S245 N475 M476 V478V237-R241 PolarHBondContact O-N 3.38Å; E238-R241 PolarHBondContact O-N 2.91Å; W239-R241 VanDerWaalsContact C-N 3.27Å; W239-R241 PolarHBondContact O-N 3.23Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q244 WeakPolarHBondContact O-CB 3.41Å; R241-Q244 PolarHBondContact O-N 3.44Å; R241-S245 PolarHBondContact O-N 2.9Å; R241-N475 PolarHBondContact NH1-O 2.95Å; R241-N475 VanDerWaalsContact NH1-O 3.08Å; R241-M476 PolarHBondContact NH2-O 2.86Å; R241-V478 PolarHBondContact NH1-O 3.4Å
242R91.4Very high91.4Very high60 Ų6043 Ų4323%0.22624%0.24CC..Hα-helixtrans-64.5-36.4172.8-74.8179.8-88.7130.3-13.3112E238 W239 S245 A246 N253E238-R242 WeakPolarHBondContact O-CB 3.41Å; E238-R242 WeakPolarHBondContact O-CG 3.42Å; E238-R242 PolarHBondContact O-N 3.18Å; E238-R242 PolarHBondContact O-NE 3.02Å; W239-R242 PolarHBondContact O-N 2.93Å; R242-S245 PolarHBondContact O-N 3.47Å; R242-S245 PolarHBondContact O-OG 3.14Å; R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.35Å; R242-N253 WeakPolarHBondContact CB-OD1 3.12Å
243Q93.9Very high90.6Very high14 Ų1444.6 Ų44.67%0.06525%0.249CC..Hα-helixtrans-63.7-42.9173-168.4-166.451.300111.3W239 K240 R241 A246 C247 V319 E320W239-Q243 HydrophobicContact CH2-CB 4.46Å; W239-Q243 HydrophobicContact CH2-CG 4.37Å; W239-Q243 HydrophobicContact CZ2-CB 4.5Å; W239-Q243 WeakPolarHBondContact O-CB 3.27Å; W239-Q243 PolarHBondContact O-N 3.38Å; K240-Q243 WeakPolarHBondContact O-CB 3.37Å; K240-Q243 PolarHBondContact O-N 3.49Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-A246 PolarHBondContact O-N 3.43Å; Q243-C247 WeakPolarHBondContact O-CB 3.39Å; Q243-C247 PolarHBondContact O-N 3Å; Q243-C247 PolarHBondContact O-SG 2.85Å; Q243-V319 PolarHBondContact NE2-O 3.35Å; Q243-E320 PolarHBondContact NE2-O 3.03Å
244Q92.2Very high89.7Confident6 Ų642.8 Ų42.83%0.02825%0.246CC..Hα-helixtrans-58.7-49.6175.3-75.5169.7-14.400111.6K240 R241 C247 I248 L453 A479K240-Q244 WeakPolarHBondContact O-CG 3.47Å; K240-Q244 PolarHBondContact O-N 3.08Å; R241-Q244 WeakPolarHBondContact O-CB 3.41Å; R241-Q244 PolarHBondContact O-N 3.44Å; Q244-C247 WeakPolarHBondContact O-CB 3.46Å; Q244-C247 PolarHBondContact O-N 3.11Å; Q244-I248 PolarHBondContact O-N 3.22Å; Q244-L453 HydrophobicContact CB-CD1 4.42Å; Q244-L453 HydrophobicContact CG-CD1 3.63Å; Q244-L453 HydrophobicContact CG-CD2 3.6Å; Q244-L453 HydrophobicContact CG-CG 4.26Å; Q244-L453 VanDerWaalsContact NE2-CD2 3.28Å; Q244-A479 PolarHBondContact NE2-O 3.46Å
245S92.1Very high89.2Confident26 Ų2643 Ų4318%0.18225%0.253CS..Hα-helixtrans-65.8-41.7179.162.40000112.2R241 R242 C247 I248 G249 G250R241-S245 PolarHBondContact O-N 2.9Å; R242-S245 PolarHBondContact O-N 3.47Å; R242-S245 PolarHBondContact O-OG 3.14Å; S245-C247 VanDerWaalsContact C-N 3.3Å; S245-C247 PolarHBondContact O-N 2.91Å; S245-I248 WeakPolarHBondContact O-CG1 3.39Å; S245-I248 PolarHBondContact O-N 3.09Å; S245-I248 VanDerWaalsContact O-N 3.12Å; S245-G249 PolarHBondContact O-N 3.27Å; S245-G250 WeakPolarHBondContact O-CA 3.39Å; S245-G250 PolarHBondContact O-N 2.78Å
246A92.1Very high89.1Confident30 Ų3042.8 Ų42.825%0.24825%0.252CS..Hα-helixtrans-61.8-37.2175.200000112.1R242 Q243 I248 G249 N253R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.35Å; Q243-A246 PolarHBondContact O-N 3.43Å; A246-I248 PolarHBondContact O-N 3.03Å; A246-G249 PolarHBondContact O-N 2.65Å; A246-G249 VanDerWaalsContact O-N 3.08Å; A246-N253 HydrophobicContact CB-CB 3.89Å
247C92.1Very high88.9Confident24 Ų2444.8 Ų44.816%0.16226%0.263CS..Hα-helixtrans-61.5-31.3175.9-73.70000112.3Q243 Q244 S245 P332 W468Q243-C247 WeakPolarHBondContact O-CB 3.39Å; Q243-C247 PolarHBondContact O-N 3Å; Q243-C247 PolarHBondContact O-SG 2.85Å; Q244-C247 WeakPolarHBondContact O-CB 3.46Å; Q244-C247 PolarHBondContact O-N 3.11Å; S245-C247 VanDerWaalsContact C-N 3.3Å; S245-C247 PolarHBondContact O-N 2.91Å; C247-P332 HydrophobicContact CB-CG 4.19Å; C247-P332 WeakPolarHBondContact O-CG 3.03Å; C247-W468 WeakPolarHBondContact O-CH2 3.34Å
248I93.5Very high88.7Confident2 Ų244.1 Ų44.11%0.0126%0.255CS..THydrogen-bonded Turntrans-92.512.6176.961.2171.7000113.8Q244 S245 A246 W468 I471 L472 N475 V501 W504 Q505Q244-I248 PolarHBondContact O-N 3.22Å; S245-I248 WeakPolarHBondContact O-CG1 3.39Å; S245-I248 PolarHBondContact O-N 3.09Å; S245-I248 VanDerWaalsContact O-N 3.12Å; A246-I248 PolarHBondContact O-N 3.03Å; I248-W468 HydrophobicContact CG2-CH2 4.35Å; I248-I471 HydrophobicContact CG2-CG2 4.28Å; I248-L472 HydrophobicContact CB-CD2 3.69Å; I248-L472 HydrophobicContact CG2-CD2 3.91Å; I248-N475 HydrophobicContact CD1-CB 4.32Å; I248-N475 HydrophobicContact CG2-CB 3.76Å; I248-V501 HydrophobicContact CD1-CG1 4.31Å; I248-V501 HydrophobicContact CD1-CG2 4.14Å; I248-W504 HydrophobicContact CD1-CE3 4.44Å; I248-W504 HydrophobicContact CD1-CZ3 4.18Å; I248-W504 HydrophobicContact CG1-CE3 4.33Å; I248-W504 HydrophobicContact CG1-CZ3 4.32Å; I248-Q505 PolarHBondContact O-NE2 3.15Å
249G89.7Confident88.9Confident18 Ų1841.8 Ų41.819%0.18624%0.244CC..THydrogen-bonded Turntrans97.37.3175.400000115.3S245 A246 W504S245-G249 PolarHBondContact O-N 3.27Å; A246-G249 PolarHBondContact O-N 2.65Å; A246-G249 VanDerWaalsContact O-N 3.08Å; G249-W504 WeakPolarHBondContact O-CB 3.27Å
250G88.6Confident88.9Confident12 Ų1241.9 Ų41.912%0.12425%0.245CC..  trans-66.2-175.2173.300000113.8S245S245-G250 WeakPolarHBondContact O-CA 3.39Å; S245-G250 PolarHBondContact O-N 2.78Å
251P81.8Confident88.9Confident79 Ų7941.8 Ų41.851%0.51325%0.248SC..SBendtrans-57.2148.3-176.324.4-34000111.6N253P251-N253 PolarHBondContact O-N 2.74Å
252P78.9Confident89.1Confident128 Ų12837.9 Ų37.983%0.83123%0.233SC*.PPolyproline II helixtrans-51.3130.8179.9-2734.4000111.9
253N80.3Confident89.4Confident46 Ų4635 Ų3525%0.24622%0.223CC..PPolyproline II helixtrans-67.9141.9178.4-171.222.4000110.5W239 R242 A246 P251W239-N253 VanDerWaalsContact CE2-ND2 3.3Å; W239-N253 PolarHBondContact NE1-ND2 2.89Å; R242-N253 WeakPolarHBondContact CB-OD1 3.12Å; A246-N253 HydrophobicContact CB-CB 3.89Å; P251-N253 PolarHBondContact O-N 2.74Å
254A75.8Confident89.4Confident47 Ų4735.1 Ų35.139%0.38822%0.224SC..PPolyproline II helixtrans-60.7140.3170.700000109.9W239W239-A254 PolarHBondContact NE1-O 2.82Å; W239-A254 VanDerWaalsContact NE1-O 3.12Å
255C82Confident89.6Confident87 Ų8736.1 Ų36.159%0.58823%0.229SC*.PPolyproline II helixtrans-62.3154.2175.566.90000110.6D257C255-D257 PolarHBondContact O-N 2.89Å
256L90.2Very high89.9Confident6 Ų634.9 Ų34.93%0.03122%0.221CC..THydrogen-bonded Turntrans-74.3-2.9179.9-79.1172.2000113.3W239 Q258 L259 Q260 V318 E320 R346 L348W239-L256 HydrophobicContact CD2-CD2 3.64Å; W239-L256 HydrophobicContact CE3-CD2 4.11Å; W239-L256 HydrophobicContact CG-CD2 4.24Å; W239-L256 HydrophobicContact CH2-CD1 4.03Å; W239-L256 HydrophobicContact CH2-CD2 3.83Å; W239-L256 HydrophobicContact CH2-CG 4.21Å; W239-L256 HydrophobicContact CZ2-CD1 3.72Å; W239-L256 HydrophobicContact CZ2-CD2 3.3Å; W239-L256 HydrophobicContact CZ2-CG 3.5Å; W239-L256 VanDerWaalsContact CZ2-CG 3.5Å; W239-L256 HydrophobicContact CZ3-CD2 4.2Å; L256-Q258 PolarHBondContact O-N 3.49Å; L256-L259 HydrophobicContact CD2-CD1 3.9Å; L256-L259 PolarHBondContact O-N 3.08Å; L256-Q260 VanDerWaalsContact O-CB 3.26Å; L256-Q260 WeakPolarHBondContact O-CB 3.45Å; L256-Q260 PolarHBondContact O-N 2.95Å; L256-V318 HydrophobicContact CD1-CG2 4.4Å; L256-E320 HydrophobicContact CD1-CB 3.95Å; L256-E320 HydrophobicContact CD1-CG 3.82Å; L256-R346 HydrophobicContact CD1-CB 4.5Å; L256-L348 HydrophobicContact CB-CD2 4.05Å; L256-L348 HydrophobicContact CD1-CD2 3.99Å; L256-L348 HydrophobicContact CD2-CD2 3.67Å; L256-L348 HydrophobicContact CG-CD2 4.12Å
257D89.5Confident90Very high46 Ų4633.4 Ų33.425%0.24621%0.209CC..Hα-helixtrans-67.3-38.1-167.3-62.8-12.6000112.6C255 Q260 N261 R346C255-D257 PolarHBondContact O-N 2.89Å; D257-Q260 PolarHBondContact O-N 2.71Å; D257-N261 WeakPolarHBondContact O-CB 3.46Å; D257-N261 PolarHBondContact O-N 3.12Å; D257-R346 IonicContact OD1-CZ 3.58Å; D257-R346 IonicContact OD1-NH1 2.77Å; D257-R346 IonicContact OD1-NH2 3.01Å; D257-R346 PolarHBondContact OD1-NH2 2.63Å
258Q89.9Confident90.2Very high64 Ų6436.5 Ų36.530%0.29922%0.221SC..Hα-helixtrans-65.7-47.2175.2-172.9178.12700111.4L256 N261 W262L256-Q258 PolarHBondContact O-N 3.49Å; Q258-N261 WeakPolarHBondContact O-CB 3.22Å; Q258-N261 PolarHBondContact O-N 2.74Å; Q258-W262 HydrophobicContact CG-CD2 4.19Å; Q258-W262 HydrophobicContact CG-CE3 4.27Å; Q258-W262 HydrophobicContact CG-CH2 3.59Å; Q258-W262 HydrophobicContact CG-CZ2 3.48Å; Q258-W262 VanDerWaalsContact CG-CZ2 3.48Å; Q258-W262 HydrophobicContact CG-CZ3 3.97Å; Q258-W262 PolarHBondContact O-N 2.98Å; Q258-W262 VanDerWaalsContact O-N 3.08Å
259L93.9Very high90.3Very high8 Ų836.6 Ų36.64%0.04222%0.222CC..Hα-helixtrans-60.2-47.6174.5-71.1178.9000110.8L231 E235 W239 L256 N261 W262 F263 L348L231-L259 HydrophobicContact CD1-CD2 4.11Å; E235-L259 HydrophobicContact CB-CD2 3.78Å; W239-L259 HydrophobicContact CB-CD1 3.66Å; W239-L259 HydrophobicContact CD2-CD1 4.2Å; W239-L259 HydrophobicContact CG-CD1 3.63Å; L256-L259 HydrophobicContact CD2-CD1 3.9Å; L256-L259 PolarHBondContact O-N 3.08Å; L259-N261 PolarHBondContact O-N 3.11Å; L259-W262 HydrophobicContact CD2-CE3 3.83Å; L259-W262 HydrophobicContact CD2-CZ3 3.93Å; L259-W262 PolarHBondContact O-N 3.27Å; L259-W262 VanDerWaalsContact O-N 3.14Å; L259-F263 HydrophobicContact CB-CD2 4.4Å; L259-F263 WeakPolarHBondContact O-CB 3.45Å; L259-F263 VanDerWaalsContact O-CD2 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.45Å; L259-F263 PolarHBondContact O-N 2.67Å; L259-L348 HydrophobicContact CB-CD1 4.28Å
260Q94.1Very high90.6Very high7 Ų735.9 Ų35.93%0.03321%0.214CC..Hα-helixtrans-56.1-42.7178.7-172.4-166.714.300111L256 D257 T264 L348 K350 G398L256-Q260 VanDerWaalsContact O-CB 3.26Å; L256-Q260 WeakPolarHBondContact O-CB 3.45Å; L256-Q260 PolarHBondContact O-N 2.95Å; D257-Q260 PolarHBondContact O-N 2.71Å; Q260-T264 WeakPolarHBondContact O-CB 3.18Å; Q260-T264 PolarHBondContact O-N 2.96Å; Q260-T264 PolarHBondContact O-OG1 3.1Å; Q260-L348 WeakPolarHBondContact CA-O 3.4Å; Q260-L348 WeakPolarHBondContact CG-O 3.27Å; Q260-L348 VanDerWaalsContact O-O 3.12Å; Q260-K350 HydrophobicContact CG-CB 4.42Å; Q260-G398 PolarHBondContact NE2-O 3.09Å; Q260-G398 VanDerWaalsContact NE2-O 3.11Å
261N93.3Very high90.8Very high84 Ų8436.4 Ų36.445%0.44921%0.213SC..Hα-helixtrans-60.9-50.1176.1-17861.3000111.7D257 Q258 L259 T264 I265D257-N261 WeakPolarHBondContact O-CB 3.46Å; D257-N261 PolarHBondContact O-N 3.12Å; Q258-N261 WeakPolarHBondContact O-CB 3.22Å; Q258-N261 PolarHBondContact O-N 2.74Å; L259-N261 PolarHBondContact O-N 3.11Å; N261-T264 PolarHBondContact O-N 3.47Å; N261-I265 VanDerWaalsContact O-CG1 3.29Å; N261-I265 WeakPolarHBondContact O-CG1 3.34Å; N261-I265 PolarHBondContact O-N 2.91Å
262W95.9Very high91.4Very high1 Ų134.6 Ų34.60%0.00420%0.198CC..Hα-helixtrans-61.5-48.7178.1-63.9-30.1000113Q139 L142 D143 V146 L231 E235 Q258 L259 T264 I265 V266Q139-W262 HydrophobicContact CB-CH2 4.29Å; Q139-W262 HydrophobicContact CB-CZ2 4.49Å; Q139-W262 HydrophobicContact CG-CH2 4.14Å; L142-W262 HydrophobicContact CB-CZ2 4.36Å; L142-W262 HydrophobicContact CD2-CD2 3.94Å; L142-W262 HydrophobicContact CD2-CE3 3.57Å; L142-W262 HydrophobicContact CD2-CH2 3.98Å; L142-W262 HydrophobicContact CD2-CZ2 4.31Å; L142-W262 HydrophobicContact CD2-CZ3 3.62Å; L142-W262 HydrophobicContact CG-CD2 4.33Å; L142-W262 HydrophobicContact CG-CE3 4.43Å; D143-W262 PolarHBondContact OD1-NE1 3.12Å; V146-W262 HydrophobicContact CG2-CB 4.17Å; V146-W262 HydrophobicContact CG2-CG 4.14Å; L231-W262 HydrophobicContact CD1-CB 3.81Å; L231-W262 HydrophobicContact CD1-CD2 4.41Å; L231-W262 HydrophobicContact CD1-CE3 3.77Å; L231-W262 HydrophobicContact CD1-CG 4.49Å; L231-W262 HydrophobicContact CD2-CB 4.21Å; E235-W262 HydrophobicContact CB-CZ3 4.35Å; E235-W262 HydrophobicContact CG-CZ3 3.95Å; Q258-W262 HydrophobicContact CG-CD2 4.19Å; Q258-W262 HydrophobicContact CG-CE3 4.27Å; Q258-W262 HydrophobicContact CG-CH2 3.59Å; Q258-W262 HydrophobicContact CG-CZ2 3.48Å; Q258-W262 VanDerWaalsContact CG-CZ2 3.48Å; Q258-W262 HydrophobicContact CG-CZ3 3.97Å; Q258-W262 PolarHBondContact O-N 2.98Å; Q258-W262 VanDerWaalsContact O-N 3.08Å; L259-W262 HydrophobicContact CD2-CE3 3.83Å; L259-W262 HydrophobicContact CD2-CZ3 3.93Å; L259-W262 PolarHBondContact O-N 3.27Å; L259-W262 VanDerWaalsContact O-N 3.14Å; W262-T264 VanDerWaalsContact C-N 3.29Å; W262-T264 PolarHBondContact O-N 2.83Å; W262-I265 PolarHBondContact O-N 3.12Å; W262-V266 WeakPolarHBondContact O-CG2 3.33Å; W262-V266 PolarHBondContact O-N 2.81Å; W262-V266 VanDerWaalsContact O-N 3.09Å
263F96.9Very high92.2Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-58.9-42.4177-88.9-93000111.3L231 I232 L236 L259 A267 L312 L348 V349L231-F263 HydrophobicContact CD1-CD2 3.75Å; L231-F263 HydrophobicContact CD1-CE2 3.54Å; L231-F263 HydrophobicContact CD1-CZ 4.38Å; L231-F263 HydrophobicContact CD2-CD1 4.22Å; L231-F263 HydrophobicContact CD2-CD2 3.69Å; L231-F263 HydrophobicContact CD2-CE1 4.31Å; L231-F263 HydrophobicContact CD2-CE2 3.8Å; L231-F263 HydrophobicContact CD2-CG 3.91Å; L231-F263 HydrophobicContact CD2-CZ 4.11Å; L231-F263 HydrophobicContact CG-CD2 3.82Å; L231-F263 HydrophobicContact CG-CE1 4.47Å; L231-F263 HydrophobicContact CG-CE2 3.45Å; L231-F263 VanDerWaalsContact CG-CE2 3.45Å; L231-F263 HydrophobicContact CG-CG 4.48Å; L231-F263 HydrophobicContact CG-CZ 3.81Å; I232-F263 HydrophobicContact CG1-CE1 4.29Å; I232-F263 HydrophobicContact CG1-CZ 4.19Å; L236-F263 HydrophobicContact CB-CZ 4.46Å; L236-F263 HydrophobicContact CD2-CZ 4.11Å; L259-F263 HydrophobicContact CB-CD2 4.4Å; L259-F263 WeakPolarHBondContact O-CB 3.45Å; L259-F263 VanDerWaalsContact O-CD2 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.45Å; L259-F263 PolarHBondContact O-N 2.67Å; F263-A267 WeakPolarHBondContact O-CB 3.27Å; F263-A267 PolarHBondContact O-N 3.24Å; F263-L312 HydrophobicContact CD1-CD1 3.55Å; F263-L312 HydrophobicContact CD1-CG 4.06Å; F263-L312 HydrophobicContact CE1-CD1 3.7Å; F263-L312 HydrophobicContact CE1-CG 4.44Å; F263-L312 HydrophobicContact CG-CD1 4.46Å; F263-L348 HydrophobicContact CB-CB 3.9Å; F263-L348 HydrophobicContact CD1-CB 4.36Å; F263-L348 HydrophobicContact CD2-CB 4.07Å; F263-L348 HydrophobicContact CD2-CD1 3.89Å; F263-L348 HydrophobicContact CE2-CD1 3.84Å; F263-L348 HydrophobicContact CG-CB 3.85Å; F263-L348 HydrophobicContact CG-CD1 4.39Å; F263-L348 HydrophobicContact CZ-CD1 4.31Å; F263-V349 HydrophobicContact CB-CG2 4.2Å; F263-V349 HydrophobicContact CD1-CG2 4.43Å
264T95.5Very high92.8Very high16 Ų1627.8 Ų27.810%0.09815%0.152CC..Hα-helixtrans-66.9-47-179.9-600000111.5Q260 N261 W262 V266 A267 E268 L348 K350Q260-T264 WeakPolarHBondContact O-CB 3.18Å; Q260-T264 PolarHBondContact O-N 2.96Å; Q260-T264 PolarHBondContact O-OG1 3.1Å; N261-T264 PolarHBondContact O-N 3.47Å; W262-T264 VanDerWaalsContact C-N 3.29Å; W262-T264 PolarHBondContact O-N 2.83Å; T264-V266 PolarHBondContact O-N 3.04Å; T264-A267 PolarHBondContact O-N 3.45Å; T264-E268 HydrophobicContact CG2-CG 4.3Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.36Å; T264-E268 WeakPolarHBondContact O-CB 3.27Å; T264-E268 VanDerWaalsContact O-CG 3.31Å; T264-E268 WeakPolarHBondContact O-CG 3.3Å; T264-E268 PolarHBondContact O-N 2.75Å; T264-L348 PolarHBondContact OG1-O 2.94Å; T264-K350 HydrophobicContact CG2-CB 4.24Å; T264-K350 WeakPolarHBondContact CG2-O 3.29Å; T264-K350 PolarHBondContact OG1-N 2.98Å
265I95.9Very high93.6Very high27 Ų2730.8 Ų30.814%0.13816%0.158CC..Hα-helixtrans-61.8-43.9179.9-67.3165.7000111.5V146 K150 N261 W262 S269V146-I265 HydrophobicContact CG1-CB 3.73Å; V146-I265 HydrophobicContact CG1-CD1 3.95Å; V146-I265 HydrophobicContact CG1-CG1 4.46Å; V146-I265 HydrophobicContact CG1-CG2 3.54Å; K150-I265 HydrophobicContact CB-CG2 3.99Å; K150-I265 HydrophobicContact CD-CG2 4.25Å; N261-I265 VanDerWaalsContact O-CG1 3.29Å; N261-I265 WeakPolarHBondContact O-CG1 3.34Å; N261-I265 PolarHBondContact O-N 2.91Å; W262-I265 PolarHBondContact O-N 3.12Å; I265-S269 VanDerWaalsContact O-CB 3.3Å; I265-S269 WeakPolarHBondContact O-CB 3.49Å; I265-S269 PolarHBondContact O-N 3.3Å; I265-S269 PolarHBondContact O-OG 3.28Å
266V97.1Very high94.2Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-67.9-38.6178.3179.40000110.7V146 T224 W262 T264 S269 L270 L312V146-V266 HydrophobicContact CG1-CG2 4.32Å; V146-V266 HydrophobicContact CG2-CG2 4.18Å; T224-V266 HydrophobicContact CG2-CG1 3.83Å; W262-V266 WeakPolarHBondContact O-CG2 3.33Å; W262-V266 PolarHBondContact O-N 2.81Å; W262-V266 VanDerWaalsContact O-N 3.09Å; T264-V266 PolarHBondContact O-N 3.04Å; V266-S269 WeakPolarHBondContact O-CB 3.45Å; V266-S269 PolarHBondContact O-N 3.41Å; V266-L270 HydrophobicContact CG1-CD1 4.23Å; V266-L270 WeakPolarHBondContact O-CG 3.33Å; V266-L270 PolarHBondContact O-N 3.29Å; V266-L312 HydrophobicContact CB-CD2 4.07Å; V266-L312 HydrophobicContact CG1-CD2 3.82Å
267A95.6Very high94.4Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-64.9-44.517600000112.6F263 T264 S269 L270 Q271 F309 L312 V349F263-A267 WeakPolarHBondContact O-CB 3.27Å; F263-A267 PolarHBondContact O-N 3.24Å; T264-A267 PolarHBondContact O-N 3.45Å; A267-S269 VanDerWaalsContact C-N 3.3Å; A267-S269 PolarHBondContact O-N 2.94Å; A267-L270 PolarHBondContact O-N 3.46Å; A267-Q271 WeakPolarHBondContact O-CG 3.44Å; A267-Q271 PolarHBondContact O-N 3.38Å; A267-F309 HydrophobicContact CB-CE2 4.18Å; A267-L312 HydrophobicContact CB-CD2 3.81Å; A267-V349 HydrophobicContact CB-CB 4.33Å; A267-V349 HydrophobicContact CB-CG1 3.57Å; A267-V349 HydrophobicContact CB-CG2 3.79Å
268E95Very high94.7Very high88 Ų8829.9 Ų29.941%0.41114%0.142SC..Hα-helixtrans-58.5-44.6173.3-73.9174.4178.700110.7T264 L270 Q271 Q272 L351T264-E268 HydrophobicContact CG2-CG 4.3Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.36Å; T264-E268 WeakPolarHBondContact O-CB 3.27Å; T264-E268 VanDerWaalsContact O-CG 3.31Å; T264-E268 WeakPolarHBondContact O-CG 3.3Å; T264-E268 PolarHBondContact O-N 2.75Å; E268-L270 PolarHBondContact O-N 3.35Å; E268-Q271 PolarHBondContact O-N 3.29Å; E268-Q272 WeakPolarHBondContact O-CB 3.49Å; E268-Q272 PolarHBondContact O-N 3.3Å; E268-L351 HydrophobicContact CG-CD2 3.54Å
269S96.6Very high94.9Very high5 Ų529 Ų294%0.03514%0.137CC..Hα-helixtrans-59.4-46.4177.7-65.20000111.7I265 V266 A267 Q272 V273I265-S269 VanDerWaalsContact O-CB 3.3Å; I265-S269 WeakPolarHBondContact O-CB 3.49Å; I265-S269 PolarHBondContact O-N 3.3Å; I265-S269 PolarHBondContact O-OG 3.28Å; V266-S269 WeakPolarHBondContact O-CB 3.45Å; V266-S269 PolarHBondContact O-N 3.41Å; A267-S269 VanDerWaalsContact C-N 3.3Å; A267-S269 PolarHBondContact O-N 2.94Å; S269-Q272 PolarHBondContact O-N 3.39Å; S269-V273 WeakPolarHBondContact O-CG2 3.16Å; S269-V273 PolarHBondContact O-N 3.47Å
270L95.7Very high95Very high2 Ų228.8 Ų28.81%0.0114%0.136CC..Hα-helixtrans-66.3-37.8176.6-73.9168.2000112.8L221 T224 V266 A267 E268 Q272 V273 R274 T305 L308 F309 L312L221-L270 HydrophobicContact CD2-CD2 4.32Å; T224-L270 HydrophobicContact CG2-CD1 4.39Å; T224-L270 HydrophobicContact CG2-CD2 3.91Å; T224-L270 HydrophobicContact CG2-CG 4.1Å; V266-L270 HydrophobicContact CG1-CD1 4.23Å; V266-L270 WeakPolarHBondContact O-CG 3.33Å; V266-L270 PolarHBondContact O-N 3.29Å; A267-L270 PolarHBondContact O-N 3.46Å; E268-L270 PolarHBondContact O-N 3.35Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; L270-V273 PolarHBondContact O-N 3.25Å; L270-R274 PolarHBondContact O-N 2.85Å; L270-T305 HydrophobicContact CD2-CG2 4.3Å; L270-L308 HydrophobicContact CD1-CB 4.1Å; L270-L308 HydrophobicContact CD2-CB 3.97Å; L270-L308 HydrophobicContact CD2-CD1 4.28Å; L270-F309 HydrophobicContact CB-CB 4.32Å; L270-F309 HydrophobicContact CB-CD2 4.06Å; L270-F309 HydrophobicContact CD1-CB 4.2Å; L270-F309 HydrophobicContact CD1-CD2 4.46Å; L270-L312 HydrophobicContact CD1-CD2 3.98Å
271Q92.3Very high95.1Very high24 Ų2430.4 Ų30.411%0.11214%0.144CC..Hα-helixtrans-65.4-40174.2-75.5-62.3-33.200111.7A267 E268 R274 Q275 F309 L351A267-Q271 WeakPolarHBondContact O-CG 3.44Å; A267-Q271 PolarHBondContact O-N 3.38Å; E268-Q271 PolarHBondContact O-N 3.29Å; Q271-R274 WeakPolarHBondContact O-CB 3.14Å; Q271-R274 PolarHBondContact O-N 3.12Å; Q271-Q275 WeakPolarHBondContact O-CG 3.45Å; Q271-Q275 PolarHBondContact O-N 3.01Å; Q271-F309 HydrophobicContact CG-CD2 4.29Å; Q271-F309 HydrophobicContact CG-CE2 3.74Å; Q271-F309 HydrophobicContact CG-CZ 4.19Å; Q271-L351 HydrophobicContact CG-CD1 4.34Å
272Q94.6Very high95.2Very high41 Ų4130.7 Ų30.719%0.19214%0.143CC..Hα-helixtrans-65.9-41.2175.6-168.1172.49.200111V153 E157 E268 S269 L270 R274 Q275 Q276V153-Q272 HydrophobicContact CG1-CB 3.73Å; V153-Q272 HydrophobicContact CG1-CG 3.6Å; E157-Q272 PolarHBondContact OE1-NE2 3.5Å; E157-Q272 PolarHBondContact OE2-NE2 3.06Å; E268-Q272 WeakPolarHBondContact O-CB 3.49Å; E268-Q272 PolarHBondContact O-N 3.3Å; S269-Q272 PolarHBondContact O-N 3.39Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-R274 VanDerWaalsContact C-N 3.31Å; Q272-R274 PolarHBondContact O-N 3.47Å; Q272-Q275 WeakPolarHBondContact O-CA 3.42Å; Q272-Q275 WeakPolarHBondContact O-CB 3.4Å; Q272-Q275 PolarHBondContact O-N 2.9Å; Q272-Q276 WeakPolarHBondContact O-CG 3.31Å; Q272-Q276 PolarHBondContact O-N 2.91Å
273V95.8Very high95.2Very high3 Ų330.6 Ų30.62%0.01814%0.142CC..Hα-helixtrans-58.1-42.5171.4175.50000111.6V153 I217 L220 L221 S269 L270 Q275 Q276 L277 T305V153-V273 HydrophobicContact CG2-CG2 4.13Å; I217-V273 HydrophobicContact CG2-CG1 4.22Å; L220-V273 HydrophobicContact CD2-CG2 3.2Å; L221-V273 HydrophobicContact CD2-CG1 4.33Å; S269-V273 WeakPolarHBondContact O-CG2 3.16Å; S269-V273 PolarHBondContact O-N 3.47Å; L270-V273 PolarHBondContact O-N 3.25Å; V273-Q275 VanDerWaalsContact C-N 3.28Å; V273-Q275 PolarHBondContact O-N 3.05Å; V273-Q276 WeakPolarHBondContact O-CB 3.47Å; V273-Q276 PolarHBondContact O-N 3.27Å; V273-Q276 VanDerWaalsContact O-N 3.13Å; V273-L277 HydrophobicContact CG1-CD1 4.3Å; V273-L277 HydrophobicContact CG1-CG 4.33Å; V273-L277 WeakPolarHBondContact O-CG 3.45Å; V273-L277 PolarHBondContact O-N 3.38Å; V273-T305 HydrophobicContact CB-CG2 4.14Å; V273-T305 HydrophobicContact CG1-CG2 3.91Å
274R93.3Very high95.1Very high28 Ų2831.9 Ų31.911%0.10615%0.148CC..Hα-helixtrans-59-39174.7-178.2-173.9173.896.2-2.8111.8L270 Q271 Q272 K278 W302 T305L270-R274 PolarHBondContact O-N 2.85Å; Q271-R274 WeakPolarHBondContact O-CB 3.14Å; Q271-R274 PolarHBondContact O-N 3.12Å; Q272-R274 VanDerWaalsContact C-N 3.31Å; Q272-R274 PolarHBondContact O-N 3.47Å; R274-K278 PolarHBondContact O-N 2.8Å; R274-W302 HydrophobicContact CG-CH2 4.1Å; R274-W302 HydrophobicContact CG-CZ2 4.28Å; R274-W302 VanDerWaalsContact CZ-CZ3 3.49Å; R274-T305 HydrophobicContact CB-CG2 4.4Å
275Q93.1Very high95.1Very high110 Ų11038.5 Ų38.551%0.51418%0.178SC..Hα-helixtrans-66.8-42.6173.7-65.7175.75.400111.7Q271 Q272 V273 L277 K278 K279Q271-Q275 WeakPolarHBondContact O-CG 3.45Å; Q271-Q275 PolarHBondContact O-N 3.01Å; Q272-Q275 WeakPolarHBondContact O-CA 3.42Å; Q272-Q275 WeakPolarHBondContact O-CB 3.4Å; Q272-Q275 PolarHBondContact O-N 2.9Å; V273-Q275 VanDerWaalsContact C-N 3.28Å; V273-Q275 PolarHBondContact O-N 3.05Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-L277 PolarHBondContact O-N 3.12Å; Q275-K278 WeakPolarHBondContact O-CB 3.41Å; Q275-K278 PolarHBondContact O-N 3.25Å; Q275-K279 PolarHBondContact O-N 3.28Å
276Q94.1Very high95Very high14 Ų1442.3 Ų42.37%0.06519%0.194CC..Hα-helixtrans-60.8-40.7176.2-66-40.5-3000112.5I156 E157 I160 Q272 V273 K279 L280I156-Q276 HydrophobicContact CG2-CG 4.46Å; E157-Q276 VanDerWaalsContact CB-NE2 3.34Å; E157-Q276 VanDerWaalsContact CG-NE2 3.34Å; E157-Q276 PolarHBondContact OE1-NE2 3.37Å; I160-Q276 HydrophobicContact CD1-CB 3.47Å; I160-Q276 VanDerWaalsContact CD1-CB 3.47Å; I160-Q276 HydrophobicContact CD1-CG 3.81Å; I160-Q276 VanDerWaalsContact CD1-OE1 3.24Å; Q272-Q276 WeakPolarHBondContact O-CG 3.31Å; Q272-Q276 PolarHBondContact O-N 2.91Å; V273-Q276 WeakPolarHBondContact O-CB 3.47Å; V273-Q276 PolarHBondContact O-N 3.27Å; V273-Q276 VanDerWaalsContact O-N 3.13Å; Q276-K279 WeakPolarHBondContact O-CB 3.31Å; Q276-K279 PolarHBondContact O-N 3Å; Q276-K279 VanDerWaalsContact O-N 3.17Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.98Å
277L95.3Very high94.7Very high5 Ų545.2 Ų45.23%0.02621%0.205CC..Hα-helixtrans-63.5-44.3175.7-68.6177.2000111.7I217 V273 Q275 K279 L280 E281 L301 W302I217-L277 HydrophobicContact CD1-CD2 4.32Å; I217-L277 HydrophobicContact CG2-CD2 4.43Å; V273-L277 HydrophobicContact CG1-CD1 4.3Å; V273-L277 HydrophobicContact CG1-CG 4.33Å; V273-L277 WeakPolarHBondContact O-CG 3.45Å; V273-L277 PolarHBondContact O-N 3.38Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-L277 PolarHBondContact O-N 3.12Å; L277-K279 PolarHBondContact O-N 2.87Å; L277-L280 HydrophobicContact CD2-CD1 4.45Å; L277-L280 PolarHBondContact O-N 3.37Å; L277-E281 WeakPolarHBondContact O-CG 3.36Å; L277-E281 PolarHBondContact O-N 3.5Å; L277-L301 HydrophobicContact CD1-CB 4.01Å; L277-L301 HydrophobicContact CD2-CB 3.69Å; L277-L301 HydrophobicContact CD2-CD1 3.91Å; L277-L301 HydrophobicContact CD2-CG 4.45Å; L277-W302 HydrophobicContact CD1-CG 4.17Å
278K94.2Very high94.7Very high100 Ų10048.7 Ų48.744%0.43523%0.227SC..Hα-helixtrans-57.3-40.3172.4-71.6179.1176.8-175.90111.7R274 Q275 E281 E282 W302R274-K278 PolarHBondContact O-N 2.8Å; Q275-K278 WeakPolarHBondContact O-CB 3.41Å; Q275-K278 PolarHBondContact O-N 3.25Å; K278-E281 WeakPolarHBondContact O-CB 3.47Å; K278-E281 PolarHBondContact O-N 3.08Å; K278-E282 PolarHBondContact O-N 3.45Å; K278-W302 HydrophobicContact CG-CZ2 4.01Å
279K95.7Very high94.6Very high45 Ų4546.1 Ų46.120%0.19621%0.213CC..Hα-helixtrans-65.1-40.5178.4-168.564.6-172.5171.80112.6I160 E164 Q275 Q276 L277 E281 E282 L283I160-K279 HydrophobicContact CG2-CB 4.21Å; I160-K279 HydrophobicContact CG2-CG 3.72Å; E164-K279 WeakPolarHBondContact OE1-CE 3.26Å; E164-K279 IonicContact OE1-NZ 3.06Å; E164-K279 PolarHBondContact OE1-NZ 3.36Å; E164-K279 WeakPolarHBondContact OE2-CE 3.45Å; E164-K279 IonicContact OE2-NZ 3.27Å; E164-K279 PolarHBondContact OE2-NZ 2.69Å; Q275-K279 PolarHBondContact O-N 3.28Å; Q276-K279 WeakPolarHBondContact O-CB 3.31Å; Q276-K279 PolarHBondContact O-N 3Å; Q276-K279 VanDerWaalsContact O-N 3.17Å; L277-K279 PolarHBondContact O-N 2.87Å; K279-E281 VanDerWaalsContact C-N 3.28Å; K279-E281 PolarHBondContact O-N 2.95Å; K279-E282 WeakPolarHBondContact CD-OE2 3.39Å; K279-E282 IonicContact NZ-OE2 3.76Å; K279-E282 PolarHBondContact NZ-OE2 2.95Å; K279-E282 WeakPolarHBondContact O-CB 3.29Å; K279-E282 PolarHBondContact O-N 3.33Å; K279-L283 WeakPolarHBondContact O-CG 3.48Å; K279-L283 PolarHBondContact O-N 3.33Å; K279-L283 VanDerWaalsContact O-N 3.07Å
280L95.7Very high94.3Very high4 Ų452.8 Ų52.82%0.02124%0.244CC..Hα-helixtrans-62-36.2173.1-69.7178000112.1I160 L163 V213 I217 Q276 L277 L283 E284 I294I160-L280 HydrophobicContact CD1-CD1 4.48Å; I160-L280 HydrophobicContact CD1-CD2 4.35Å; I160-L280 HydrophobicContact CD1-CG 4.22Å; I160-L280 HydrophobicContact CG1-CD2 4.21Å; L163-L280 HydrophobicContact CD2-CD2 3.97Å; V213-L280 HydrophobicContact CG1-CD1 4.17Å; V213-L280 HydrophobicContact CG1-CD2 4.18Å; I217-L280 HydrophobicContact CD1-CD1 3.61Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.98Å; L277-L280 HydrophobicContact CD2-CD1 4.45Å; L277-L280 PolarHBondContact O-N 3.37Å; L280-L283 HydrophobicContact CD2-CD1 4.41Å; L280-L283 PolarHBondContact O-N 2.99Å; L280-E284 WeakPolarHBondContact O-CB 3.46Å; L280-E284 PolarHBondContact O-N 3.23Å; L280-I294 HydrophobicContact CB-CD1 4.25Å; L280-I294 HydrophobicContact CB-CG2 4.02Å; L280-I294 HydrophobicContact CD2-CD1 3.96Å; L280-I294 HydrophobicContact CD2-CG1 4.47Å
281E94.6Very high94.1Very high41 Ų4158.4 Ų58.419%0.19227%0.27CS..Hα-helixtrans-66.1-37.9173.9-63.3-176.5-150.900112.8L277 K278 K279 L283 E284 Q285 K298 W302L277-E281 WeakPolarHBondContact O-CG 3.36Å; L277-E281 PolarHBondContact O-N 3.5Å; K278-E281 WeakPolarHBondContact O-CB 3.47Å; K278-E281 PolarHBondContact O-N 3.08Å; K279-E281 VanDerWaalsContact C-N 3.28Å; K279-E281 PolarHBondContact O-N 2.95Å; E281-L283 VanDerWaalsContact C-N 3.3Å; E281-L283 PolarHBondContact O-N 3.18Å; E281-E284 WeakPolarHBondContact O-CB 3.38Å; E281-E284 PolarHBondContact O-N 3.05Å; E281-Q285 VanDerWaalsContact O-CG 3.3Å; E281-Q285 WeakPolarHBondContact O-CG 3.38Å; E281-Q285 PolarHBondContact O-N 2.85Å; E281-K298 HydrophobicContact CG-CD 3.91Å; E281-K298 VanDerWaalsContact CG-CE 3.46Å; E281-K298 HydrophobicContact CG-CG 4.25Å; E281-K298 VanDerWaalsContact CG-NZ 3.29Å; E281-K298 WeakPolarHBondContact OE1-CE 3.1Å; E281-K298 IonicContact OE1-NZ 3.97Å; E281-K298 WeakPolarHBondContact OE2-CE 3.18Å; E281-K298 IonicContact OE2-NZ 2.85Å; E281-K298 PolarHBondContact OE2-NZ 3.12Å; E281-W302 VanDerWaalsContact OE1-CD1 3.26Å; E281-W302 PolarHBondContact OE1-NE1 3.46Å
282E96.1Very high94.2Very high90 Ų9057.3 Ų57.342%0.42127%0.265SS..Hα-helixtrans-61.6-40.8172.5-67.7173.9-16900111.2K278 K279 Q285 K286K278-E282 PolarHBondContact O-N 3.45Å; K279-E282 WeakPolarHBondContact CD-OE2 3.39Å; K279-E282 IonicContact NZ-OE2 3.76Å; K279-E282 PolarHBondContact NZ-OE2 2.95Å; K279-E282 WeakPolarHBondContact O-CB 3.29Å; K279-E282 PolarHBondContact O-N 3.33Å; E282-Q285 PolarHBondContact O-N 3.02Å; E282-K286 WeakPolarHBondContact O-CG 3.5Å; E282-K286 PolarHBondContact O-N 2.74Å
283L95.3Very high94.2Very high0 Ų055.8 Ų55.80%026%0.258CS..Hα-helixtrans-68.3-36.8176.7-65.9-179.9000112.3L163 E164 Q167 R210 K279 L280 E281 K286 Y287L163-L283 HydrophobicContact CD2-CD1 4Å; L163-L283 HydrophobicContact CG-CD1 4.04Å; E164-L283 HydrophobicContact CB-CD1 4.36Å; E164-L283 HydrophobicContact CB-CD2 4.02Å; E164-L283 HydrophobicContact CG-CD2 4.04Å; Q167-L283 PolarHBondContact NE2-O 2.98Å; R210-L283 PolarHBondContact NH2-O 3.33Å; K279-L283 WeakPolarHBondContact O-CG 3.48Å; K279-L283 PolarHBondContact O-N 3.33Å; K279-L283 VanDerWaalsContact O-N 3.07Å; L280-L283 HydrophobicContact CD2-CD1 4.41Å; L280-L283 PolarHBondContact O-N 2.99Å; E281-L283 VanDerWaalsContact C-N 3.3Å; E281-L283 PolarHBondContact O-N 3.18Å; L283-K286 HydrophobicContact CD2-CD 4.39Å; L283-K286 PolarHBondContact O-N 2.79Å; L283-Y287 PolarHBondContact O-N 3Å
284E95.4Very high94.1Very high26 Ų2655.9 Ų55.912%0.12126%0.259CS..Hα-helixtrans-61.4-44.9171.4175.9-172.9-145.600111.3L280 E281 K286 Y287 I294 T295 K298L280-E284 WeakPolarHBondContact O-CB 3.46Å; L280-E284 PolarHBondContact O-N 3.23Å; E281-E284 WeakPolarHBondContact O-CB 3.38Å; E281-E284 PolarHBondContact O-N 3.05Å; E284-K286 VanDerWaalsContact C-N 3.33Å; E284-K286 PolarHBondContact O-N 2.91Å; E284-Y287 CarbonylContact O-C 3.2Å; E284-Y287 PolarHBondContact O-N 3.29Å; E284-I294 HydrophobicContact CB-CG2 3.99Å; E284-T295 VanDerWaalsContact OE1-CA 3.24Å; E284-T295 WeakPolarHBondContact OE1-CA 3.46Å; E284-T295 WeakPolarHBondContact OE1-CB 3.45Å; E284-T295 WeakPolarHBondContact OE1-CG2 3.4Å; E284-T295 PolarHBondContact OE1-OG1 2.91Å; E284-K298 WeakPolarHBondContact OE2-CD 3.07Å; E284-K298 IonicContact OE2-NZ 3.18Å; E284-K298 PolarHBondContact OE2-NZ 2.87Å
285Q95.1Very high94.1Very high155 Ų15557.9 Ų57.972%0.72427%0.274SS*.Hα-helixtrans-62.3-39.1177.2-73.1173.710.300112.5E281 E282E281-Q285 VanDerWaalsContact O-CG 3.3Å; E281-Q285 WeakPolarHBondContact O-CG 3.38Å; E281-Q285 PolarHBondContact O-N 2.85Å; E282-Q285 PolarHBondContact O-N 3.02Å
286K93.9Very high94.2Very high107 Ų10758.7 Ų58.747%0.46528%0.276SS..Hα-helixtrans-66.2-40.6175-75179.6177.2-175.10111.9E164 D168 E282 L283 E284E164-K286 IonicContact OE1-NZ 3.61Å; D168-K286 IonicContact OD1-NZ 3.69Å; D168-K286 PolarHBondContact OD1-NZ 3.33Å; D168-K286 IonicContact OD2-NZ 2.66Å; D168-K286 PolarHBondContact OD2-NZ 2.89Å; E282-K286 WeakPolarHBondContact O-CG 3.5Å; E282-K286 PolarHBondContact O-N 2.74Å; L283-K286 HydrophobicContact CD2-CD 4.39Å; L283-K286 PolarHBondContact O-N 2.79Å; E284-K286 VanDerWaalsContact C-N 3.33Å; E284-K286 PolarHBondContact O-N 2.91Å
287Y92.2Very high94.2Very high61 Ų6160.2 Ų60.224%0.23928%0.284CS..  trans-157127.4-176.9-179-105.4000111.8Y170 Y203 R210 L283 E284 Y289Y170-Y287 HydrophobicContact CE1-CD2 4.36Å; Y170-Y287 HydrophobicContact CE1-CE1 4.37Å; Y170-Y287 HydrophobicContact CE1-CE2 4Å; Y203-Y287 HydrophobicContact CD2-CE1 4.17Å; Y203-Y287 WeakPolarHBondContact CD2-OH 3.49Å; Y203-Y287 HydrophobicContact CE2-CE1 4.42Å; Y203-Y287 WeakPolarHBondContact CE2-OH 3.32Å; R210-Y287 PolarHBondContact NH1-O 2.9Å; R210-Y287 VanDerWaalsContact NH1-O 3.11Å; R210-Y287 PolarHBondContact NH2-O 3.4Å; L283-Y287 PolarHBondContact O-N 3Å; E284-Y287 CarbonylContact O-C 3.2Å; E284-Y287 PolarHBondContact O-N 3.29Å; Y287-Y289 HydrophobicContact CD1-CD1 4.18Å; Y287-Y289 HydrophobicContact CD1-CE1 4.48Å; Y287-Y289 AromaticContact CE1-CD1 3.56Å; Y287-Y289 HydrophobicContact CE1-CD1 3.56Å; Y287-Y289 HydrophobicContact CE1-CE1 4Å
288T94.6Very high93.9Very high74 Ų7462.7 Ų62.745%0.45430%0.295SS..  trans-140.9167.7174.9-167.20000110.9D292 T295T288-D292 PolarHBondContact OG1-OD2 3.22Å; T288-T295 PolarHBondContact OG1-OG1 3.41Å
289Y92.6Very high93.9Very high33 Ų3363.6 Ų63.613%0.12930%0.301CS..  trans-157.7166.1-176.152.1-88.9000111.5Y203 D207 Y287 H291 D292 P293Y203-Y289 AromaticContact CE2-CD1 3.77Å; Y203-Y289 HydrophobicContact CE2-CD1 3.77Å; Y203-Y289 AromaticContact CE2-CD2 3.9Å; Y203-Y289 HydrophobicContact CE2-CD2 3.9Å; Y203-Y289 HydrophobicContact CE2-CE1 4.07Å; Y203-Y289 HydrophobicContact CE2-CE2 4.18Å; Y203-Y289 AromaticContact CE2-CG 3.69Å; Y203-Y289 HydrophobicContact CE2-CG 3.69Å; Y203-Y289 AromaticContact CZ-CD2 3.93Å; Y203-Y289 WeakPolarHBondContact OH-CD2 3.47Å; Y203-Y289 WeakPolarHBondContact OH-CE2 3.49Å; D207-Y289 VanDerWaalsContact CA-OH 3.24Å; D207-Y289 WeakPolarHBondContact CA-OH 3.31Å; D207-Y289 HydrophobicContact CB-CE2 4.41Å; D207-Y289 VanDerWaalsContact CB-OH 3.31Å; D207-Y289 WeakPolarHBondContact CB-OH 3.34Å; D207-Y289 WeakPolarHBondContact OD1-CE2 3.43Å; D207-Y289 PolarHBondContact OD1-OH 3.45Å; Y287-Y289 HydrophobicContact CD1-CD1 4.18Å; Y287-Y289 HydrophobicContact CD1-CE1 4.48Å; Y287-Y289 AromaticContact CE1-CD1 3.56Å; Y287-Y289 HydrophobicContact CE1-CD1 3.56Å; Y287-Y289 HydrophobicContact CE1-CE1 4Å; Y289-H291 PolarHBondContact O-N 3.39Å; Y289-D292 HydrophobicContact CD1-CB 4.36Å; Y289-D292 HydrophobicContact CD2-CB 4.2Å; Y289-D292 HydrophobicContact CE1-CB 4.26Å; Y289-D292 HydrophobicContact CE2-CB 4.11Å; Y289-D292 HydrophobicContact CG-CB 4.33Å; Y289-D292 WeakPolarHBondContact O-CB 3.37Å; Y289-D292 PolarHBondContact O-N 3.49Å; Y289-D292 VanDerWaalsContact O-N 3.08Å; Y289-P293 WeakPolarHBondContact OH-CD 3.29Å
290E91.4Very high93.9Very high146 Ų14665.3 Ų65.368%0.68232%0.315SS*.THydrogen-bonded Turntrans-58126.4175.7-176.456.5-118.800110.1
291H91.8Very high93.9Very high119 Ų11965.3 Ų65.355%0.55132%0.315SS*.THydrogen-bonded Turntrans69.422.2-176.1-54.4-26.1000117.1Y289 K296Y289-H291 PolarHBondContact O-N 3.39Å; H291-K296 VanDerWaalsContact CB-NZ 3.3Å
292D93.9Very high93.9Very high1 Ų166 Ų661%0.00532%0.316CS..  trans-51.1122.1171.3-177.10.8000112R210 T288 Y289 I294 T295 K296R210-D292 IonicContact CZ-OD2 2.95Å; R210-D292 IonicContact NH1-OD1 3.92Å; R210-D292 PolarHBondContact NH1-OD1 3.27Å; R210-D292 IonicContact NH1-OD2 3.89Å; R210-D292 PolarHBondContact NH1-OD2 3.11Å; T288-D292 PolarHBondContact OG1-OD2 3.22Å; Y289-D292 HydrophobicContact CD1-CB 4.36Å; Y289-D292 HydrophobicContact CD2-CB 4.2Å; Y289-D292 HydrophobicContact CE1-CB 4.26Å; Y289-D292 HydrophobicContact CE2-CB 4.11Å; Y289-D292 HydrophobicContact CG-CB 4.33Å; Y289-D292 WeakPolarHBondContact O-CB 3.37Å; Y289-D292 PolarHBondContact O-N 3.49Å; Y289-D292 VanDerWaalsContact O-N 3.08Å; D292-I294 PolarHBondContact O-N 3.05Å; D292-I294 PolarHBondContact OD1-N 3.21Å; D292-T295 PolarHBondContact O-N 3.32Å; D292-T295 PolarHBondContact OD2-OG1 3.43Å; D292-K296 PolarHBondContact O-N 2.99Å; D292-K296 VanDerWaalsContact O-N 3.17Å
293P94.1Very high93.8Very high9 Ų965.6 Ų65.66%0.05832%0.316CS..Hα-helixtrans-63.3-27.5179.829.2-39.6000112.9R210 K211 V214 Y289 N297R210-P293 HydrophobicContact CB-CG 3.53Å; K211-P293 HydrophobicContact CG-CB 4.02Å; K211-P293 HydrophobicContact CG-CG 3.93Å; V214-P293 HydrophobicContact CG2-CB 4.4Å; Y289-P293 WeakPolarHBondContact OH-CD 3.29Å; P293-N297 PolarHBondContact O-N 2.87Å; P293-N297 PolarHBondContact O-ND2 3.37Å
294I94Very high93.9Very high6 Ų668.9 Ų68.93%0.03133%0.329CS..Hα-helixtrans-65.9-54.4177.4-61.1177.4000108.9R210 L280 E284 D292 K296 N297 K298R210-I294 HydrophobicContact CB-CG1 4.37Å; R210-I294 HydrophobicContact CG-CD1 3.92Å; R210-I294 HydrophobicContact CG-CG1 4.28Å; L280-I294 HydrophobicContact CB-CD1 4.25Å; L280-I294 HydrophobicContact CB-CG2 4.02Å; L280-I294 HydrophobicContact CD2-CD1 3.96Å; L280-I294 HydrophobicContact CD2-CG1 4.47Å; E284-I294 HydrophobicContact CB-CG2 3.99Å; D292-I294 PolarHBondContact O-N 3.05Å; D292-I294 PolarHBondContact OD1-N 3.21Å; I294-K296 VanDerWaalsContact C-N 3.27Å; I294-K296 PolarHBondContact O-N 3.24Å; I294-N297 PolarHBondContact O-N 3.28Å; I294-N297 VanDerWaalsContact O-N 3.17Å; I294-K298 VanDerWaalsContact O-CB 3.27Å; I294-K298 WeakPolarHBondContact O-CB 3.11Å; I294-K298 PolarHBondContact O-N 2.77Å
295T93.8Very high93.9Very high69 Ų6967.9 Ų67.942%0.42332%0.324SS..Hα-helixtrans-56.1-41.4179.1-48.40000112.2E284 T288 D292 N297E284-T295 VanDerWaalsContact OE1-CA 3.24Å; E284-T295 WeakPolarHBondContact OE1-CA 3.46Å; E284-T295 WeakPolarHBondContact OE1-CB 3.45Å; E284-T295 WeakPolarHBondContact OE1-CG2 3.4Å; E284-T295 PolarHBondContact OE1-OG1 2.91Å; T288-T295 PolarHBondContact OG1-OG1 3.41Å; D292-T295 PolarHBondContact O-N 3.32Å; D292-T295 PolarHBondContact OD2-OG1 3.43Å; T295-N297 PolarHBondContact O-N 3.44Å
296K93.9Very high93.8Very high127 Ų12763.3 Ų63.355%0.55230%0.302SS*.Hα-helixtrans-65.6-37.6-179.9-76.6-179.3172.5171.90113.9H291 D292 I294H291-K296 VanDerWaalsContact CB-NZ 3.3Å; D292-K296 PolarHBondContact O-N 2.99Å; D292-K296 VanDerWaalsContact O-N 3.17Å; I294-K296 VanDerWaalsContact C-N 3.27Å; I294-K296 PolarHBondContact O-N 3.24Å
297N94.1Very high93.9Very high46 Ų4661.5 Ų61.525%0.24630%0.303CS..Hα-helixtrans-104.4-13.3-170.7-64.9-80.1000113.6V214 P293 I294 T295 Q299 V300 L301V214-N297 HydrophobicContact CG1-CB 3.89Å; P293-N297 PolarHBondContact O-N 2.87Å; P293-N297 PolarHBondContact O-ND2 3.37Å; I294-N297 PolarHBondContact O-N 3.28Å; I294-N297 VanDerWaalsContact O-N 3.17Å; T295-N297 PolarHBondContact O-N 3.44Å; N297-Q299 PolarHBondContact O-N 3.08Å; N297-V300 PolarHBondContact O-N 3.33Å; N297-L301 HydrophobicContact CB-CD1 3.97Å; N297-L301 HydrophobicContact CB-CG 4.17Å; N297-L301 WeakPolarHBondContact O-CG 3.38Å; N297-L301 PolarHBondContact O-N 2.85Å
298K90.4Very high94.1Very high58 Ų5859 Ų5925%0.25229%0.294SS..Hα-helixtrans-42.4-59-175.9174174175.7153.30113.4E281 E284 I294 W302E281-K298 HydrophobicContact CG-CD 3.91Å; E281-K298 VanDerWaalsContact CG-CE 3.46Å; E281-K298 HydrophobicContact CG-CG 4.25Å; E281-K298 VanDerWaalsContact CG-NZ 3.29Å; E281-K298 WeakPolarHBondContact OE1-CE 3.1Å; E281-K298 IonicContact OE1-NZ 3.97Å; E281-K298 WeakPolarHBondContact OE2-CE 3.18Å; E281-K298 IonicContact OE2-NZ 2.85Å; E281-K298 PolarHBondContact OE2-NZ 3.12Å; E284-K298 WeakPolarHBondContact OE2-CD 3.07Å; E284-K298 IonicContact OE2-NZ 3.18Å; E284-K298 PolarHBondContact OE2-NZ 2.87Å; I294-K298 VanDerWaalsContact O-CB 3.27Å; I294-K298 WeakPolarHBondContact O-CB 3.11Å; I294-K298 PolarHBondContact O-N 2.77Å; K298-W302 WeakPolarHBondContact O-CB 3.26Å; K298-W302 PolarHBondContact O-N 3.2Å
299Q92.7Very high94.1Very high119 Ų11955.8 Ų55.856%0.55627%0.274SS*.Hα-helixtrans-64.7-46.6-175.5-170.560.841.800112N297 L301 W302 D303N297-Q299 PolarHBondContact O-N 3.08Å; Q299-L301 VanDerWaalsContact C-N 3.35Å; Q299-L301 PolarHBondContact O-N 3.36Å; Q299-W302 PolarHBondContact O-N 2.84Å; Q299-D303 WeakPolarHBondContact CG-OD2 3.33Å; Q299-D303 PolarHBondContact NE2-OD1 3.29Å; Q299-D303 PolarHBondContact NE2-OD2 3.2Å; Q299-D303 WeakPolarHBondContact O-CB 3.11Å; Q299-D303 PolarHBondContact O-N 3.29Å
300V95.6Very high94.2Very high81 Ų8157.1 Ų57.149%0.49128%0.281SS..Hα-helixtrans-61.5-43.3-178.2178.10000111.3N297 R304N297-V300 PolarHBondContact O-N 3.33Å; V300-R304 WeakPolarHBondContact O-CB 3.18Å; V300-R304 VanDerWaalsContact O-CG 3.26Å; V300-R304 WeakPolarHBondContact O-CG 3.25Å; V300-R304 PolarHBondContact O-N 3.31Å
301L95.8Very high94.4Very high4 Ų453.6 Ų53.62%0.02126%0.264CS..Hα-helixtrans-68.4-39.7179-64.5179000111.8V214 I217 I218 L221 L277 N297 Q299 T305V214-L301 HydrophobicContact CG1-CD1 4.39Å; I217-L301 HydrophobicContact CG2-CD1 4.08Å; I217-L301 HydrophobicContact CG2-CD2 4.09Å; I218-L301 HydrophobicContact CG1-CD2 3.66Å; L221-L301 HydrophobicContact CD1-CD2 3.9Å; L277-L301 HydrophobicContact CD1-CB 4.01Å; L277-L301 HydrophobicContact CD2-CB 3.69Å; L277-L301 HydrophobicContact CD2-CD1 3.91Å; L277-L301 HydrophobicContact CD2-CG 4.45Å; N297-L301 HydrophobicContact CB-CD1 3.97Å; N297-L301 HydrophobicContact CB-CG 4.17Å; N297-L301 WeakPolarHBondContact O-CG 3.38Å; N297-L301 PolarHBondContact O-N 2.85Å; Q299-L301 VanDerWaalsContact C-N 3.35Å; Q299-L301 PolarHBondContact O-N 3.36Å; L301-T305 VanDerWaalsContact O-CB 3.32Å; L301-T305 WeakPolarHBondContact O-CB 3.1Å; L301-T305 PolarHBondContact O-N 3.5Å; L301-T305 PolarHBondContact O-OG1 2.77Å
302W94.6Very high94.7Very high54 Ų5447.9 Ų47.921%0.20524%0.238CC..Hα-helixtrans-61.8-50.7176.6-113.9100000112.3R274 L277 K278 E281 K298 Q299 T305 F306R274-W302 HydrophobicContact CG-CH2 4.1Å; R274-W302 HydrophobicContact CG-CZ2 4.28Å; R274-W302 VanDerWaalsContact CZ-CZ3 3.49Å; L277-W302 HydrophobicContact CD1-CG 4.17Å; K278-W302 HydrophobicContact CG-CZ2 4.01Å; E281-W302 VanDerWaalsContact OE1-CD1 3.26Å; E281-W302 PolarHBondContact OE1-NE1 3.46Å; K298-W302 WeakPolarHBondContact O-CB 3.26Å; K298-W302 PolarHBondContact O-N 3.2Å; Q299-W302 PolarHBondContact O-N 2.84Å; W302-T305 PolarHBondContact O-N 3.46Å; W302-F306 WeakPolarHBondContact O-CB 3.49Å; W302-F306 PolarHBondContact O-N 3.34Å
303D94.6Very high94.7Very high82 Ų8247.9 Ų47.944%0.43924%0.238SC..Hα-helixtrans-64.7-42.9-178-68.6-25.2000111.3Q299 F306 S307Q299-D303 WeakPolarHBondContact CG-OD2 3.33Å; Q299-D303 PolarHBondContact NE2-OD1 3.29Å; Q299-D303 PolarHBondContact NE2-OD2 3.2Å; Q299-D303 WeakPolarHBondContact O-CB 3.11Å; Q299-D303 PolarHBondContact O-N 3.29Å; D303-F306 PolarHBondContact O-N 3.18Å; D303-S307 WeakPolarHBondContact O-CB 3.27Å; D303-S307 PolarHBondContact O-N 3.36Å
304R96.5Very high94.7Very high70 Ų7050.9 Ų50.926%0.26425%0.251SS..Hα-helixtrans-62.8-45.4175.9-74-175.375.4-161.72.4112.1L221 N222 E225 V300 F306 S307 L308L221-R304 HydrophobicContact CD1-CB 4.1Å; N222-R304 PolarHBondContact OD1-NH1 3.15Å; N222-R304 PolarHBondContact OD1-NH2 3.18Å; E225-R304 IonicContact OE2-NH2 2.78Å; E225-R304 PolarHBondContact OE2-NH2 2.82Å; E225-R304 VanDerWaalsContact OE2-NH2 3.08Å; V300-R304 WeakPolarHBondContact O-CB 3.18Å; V300-R304 VanDerWaalsContact O-CG 3.26Å; V300-R304 WeakPolarHBondContact O-CG 3.25Å; V300-R304 PolarHBondContact O-N 3.31Å; R304-F306 VanDerWaalsContact C-N 3.34Å; R304-F306 PolarHBondContact O-N 3.43Å; R304-S307 PolarHBondContact O-N 3.48Å; R304-L308 WeakPolarHBondContact O-CG 3.34Å; R304-L308 PolarHBondContact O-N 3.18Å
305T96Very high94.9Very high4 Ų451.9 Ų51.93%0.02526%0.259CS..Hα-helixtrans-61.8-44.5178.8-56.10000110.9L270 V273 R274 L301 W302 F309L270-T305 HydrophobicContact CD2-CG2 4.3Å; V273-T305 HydrophobicContact CB-CG2 4.14Å; V273-T305 HydrophobicContact CG1-CG2 3.91Å; R274-T305 HydrophobicContact CB-CG2 4.4Å; L301-T305 VanDerWaalsContact O-CB 3.32Å; L301-T305 WeakPolarHBondContact O-CB 3.1Å; L301-T305 PolarHBondContact O-N 3.5Å; L301-T305 PolarHBondContact O-OG1 2.77Å; W302-T305 PolarHBondContact O-N 3.46Å; T305-F309 WeakPolarHBondContact O-CB 3.49Å; T305-F309 PolarHBondContact O-N 3.24Å
306F93.2Very high95Very high60 Ų6048.6 Ų48.626%0.26324%0.238SC..Hα-helixtrans-64.6-45.4177.5171.8-114.3000112.1W302 D303 R304 L308 F309 Q310 L444 I446W302-F306 WeakPolarHBondContact O-CB 3.49Å; W302-F306 PolarHBondContact O-N 3.34Å; D303-F306 PolarHBondContact O-N 3.18Å; R304-F306 VanDerWaalsContact C-N 3.34Å; R304-F306 PolarHBondContact O-N 3.43Å; F306-L308 PolarHBondContact O-N 3.07Å; F306-F309 PolarHBondContact O-N 3.26Å; F306-Q310 HydrophobicContact CE2-CB 4.26Å; F306-Q310 HydrophobicContact CZ-CB 4.37Å; F306-Q310 VanDerWaalsContact O-CB 3.29Å; F306-Q310 WeakPolarHBondContact O-CB 3.45Å; F306-Q310 PolarHBondContact O-N 3.33Å; F306-L444 HydrophobicContact CD2-CD1 3.45Å; F306-L444 VanDerWaalsContact CD2-CD1 3.45Å; F306-L444 HydrophobicContact CE2-CD1 3.12Å; F306-L444 HydrophobicContact CE2-CG 4.47Å; F306-L444 HydrophobicContact CZ-CD1 4.18Å; F306-I446 HydrophobicContact CE2-CD1 4.13Å; F306-I446 HydrophobicContact CE2-CG1 4.17Å
307S95.7Very high95.1Very high69 Ų6942.6 Ų42.648%0.48321%0.213SC..Hα-helixtrans-58.7-45.8178.1-174.90000112D303 R304 Q310 Q311D303-S307 WeakPolarHBondContact O-CB 3.27Å; D303-S307 PolarHBondContact O-N 3.36Å; R304-S307 PolarHBondContact O-N 3.48Å; S307-Q310 PolarHBondContact O-N 3.48Å; S307-Q311 PolarHBondContact O-N 2.99Å
308L96.8Very high95.2Very high7 Ų740.5 Ų40.54%0.03720%0.201CC..Hα-helixtrans-63.1-46.5177.4-70.6174.5000111.2L221 E225 Q228 L270 R304 F306 Q310 Q311 L312L221-L308 HydrophobicContact CD2-CD1 4.13Å; E225-L308 HydrophobicContact CB-CD1 4.23Å; E225-L308 HydrophobicContact CB-CD2 3.83Å; E225-L308 HydrophobicContact CG-CD2 3.9Å; Q228-L308 PolarHBondContact NE2-O 3.48Å; Q228-L308 PolarHBondContact OE1-O 3.14Å; L270-L308 HydrophobicContact CD1-CB 4.1Å; L270-L308 HydrophobicContact CD2-CB 3.97Å; L270-L308 HydrophobicContact CD2-CD1 4.28Å; R304-L308 WeakPolarHBondContact O-CG 3.34Å; R304-L308 PolarHBondContact O-N 3.18Å; F306-L308 PolarHBondContact O-N 3.07Å; L308-Q310 PolarHBondContact O-N 3.42Å; L308-Q311 PolarHBondContact O-N 2.93Å; L308-L312 WeakPolarHBondContact O-CB 3.41Å; L308-L312 PolarHBondContact O-N 2.77Å
309F94.9Very high95.5Very high8 Ų838 Ų384%0.03519%0.191CC..Hα-helixtrans-62.6-42.4178.6-176.9-100.6000112.1A267 L270 Q271 T305 F306 L312 I313 L444 I446A267-F309 HydrophobicContact CB-CE2 4.18Å; L270-F309 HydrophobicContact CB-CB 4.32Å; L270-F309 HydrophobicContact CB-CD2 4.06Å; L270-F309 HydrophobicContact CD1-CB 4.2Å; L270-F309 HydrophobicContact CD1-CD2 4.46Å; Q271-F309 HydrophobicContact CG-CD2 4.29Å; Q271-F309 HydrophobicContact CG-CE2 3.74Å; Q271-F309 HydrophobicContact CG-CZ 4.19Å; T305-F309 WeakPolarHBondContact O-CB 3.49Å; T305-F309 PolarHBondContact O-N 3.24Å; F306-F309 PolarHBondContact O-N 3.26Å; F309-L312 PolarHBondContact O-N 2.82Å; F309-I313 HydrophobicContact CE1-CD1 4.15Å; F309-I313 HydrophobicContact CE1-CG2 4.45Å; F309-I313 HydrophobicContact CZ-CD1 3.98Å; F309-I313 WeakPolarHBondContact O-CG2 3.35Å; F309-I313 PolarHBondContact O-N 3.41Å; F309-L444 HydrophobicContact CE1-CD2 4.24Å; F309-I446 HydrophobicContact CD1-CD1 4.07Å; F309-I446 HydrophobicContact CE1-CD1 4.07Å
310Q94.5Very high95.6Very high60 Ų6034.6 Ų34.628%0.2818%0.175SC..Hα-helixtrans-60.9-49.1177.9-178178.87.400111.5F306 S307 L308 L312 I313 Q314 I446F306-Q310 HydrophobicContact CE2-CB 4.26Å; F306-Q310 HydrophobicContact CZ-CB 4.37Å; F306-Q310 VanDerWaalsContact O-CB 3.29Å; F306-Q310 WeakPolarHBondContact O-CB 3.45Å; F306-Q310 PolarHBondContact O-N 3.33Å; S307-Q310 PolarHBondContact O-N 3.48Å; L308-Q310 PolarHBondContact O-N 3.42Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 2.9Å; Q310-I313 WeakPolarHBondContact O-CG2 3.42Å; Q310-I313 PolarHBondContact O-N 3.15Å; Q310-Q314 WeakPolarHBondContact O-CB 3.42Å; Q310-Q314 VanDerWaalsContact O-CG 3.23Å; Q310-Q314 WeakPolarHBondContact O-CG 3.09Å; Q310-Q314 PolarHBondContact O-N 3.29Å; Q310-I446 HydrophobicContact CB-CD1 4.41Å; Q310-I446 HydrophobicContact CG-CG1 4.5Å; Q310-I446 HydrophobicContact CG-CG2 4.04Å
311Q96Very high95.6Very high72 Ų7236.5 Ų36.534%0.33617%0.173SC..Hα-helixtrans-63.5-40.7178.3-174.8-168.66.700111.6I232 S307 L308 S315I232-Q311 HydrophobicContact CD1-CG 4.16Å; S307-Q311 PolarHBondContact O-N 2.99Å; L308-Q311 PolarHBondContact O-N 2.93Å; Q311-S315 VanDerWaalsContact O-CB 3.3Å; Q311-S315 WeakPolarHBondContact O-CB 3.26Å; Q311-S315 PolarHBondContact O-N 2.64Å; Q311-S315 PolarHBondContact O-OG 3.41Å
312L96.6Very high95.6Very high0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-63.4-49.1179.2-174.472000111.4Q228 L231 I232 F263 V266 A267 L270 L308 F309 Q310 S315 S316Q228-L312 HydrophobicContact CG-CD1 4.15Å; L231-L312 HydrophobicContact CD2-CD1 4.14Å; I232-L312 HydrophobicContact CD1-CD1 4.37Å; F263-L312 HydrophobicContact CD1-CD1 3.55Å; F263-L312 HydrophobicContact CD1-CG 4.06Å; F263-L312 HydrophobicContact CE1-CD1 3.7Å; F263-L312 HydrophobicContact CE1-CG 4.44Å; F263-L312 HydrophobicContact CG-CD1 4.46Å; V266-L312 HydrophobicContact CB-CD2 4.07Å; V266-L312 HydrophobicContact CG1-CD2 3.82Å; A267-L312 HydrophobicContact CB-CD2 3.81Å; L270-L312 HydrophobicContact CD1-CD2 3.98Å; L308-L312 WeakPolarHBondContact O-CB 3.41Å; L308-L312 PolarHBondContact O-N 2.77Å; F309-L312 PolarHBondContact O-N 2.82Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 2.9Å; L312-S315 PolarHBondContact O-N 3.18Å; L312-S316 WeakPolarHBondContact O-CB 3.22Å; L312-S316 PolarHBondContact O-N 3.11Å
313I94.8Very high95.7Very high1 Ų134.2 Ų34.21%0.00517%0.165CC..Hα-helixtrans-68.6-37.9-178-162.8167.5000111.8F309 Q310 S316 L354 L439 I446 L448F309-I313 HydrophobicContact CE1-CD1 4.15Å; F309-I313 HydrophobicContact CE1-CG2 4.45Å; F309-I313 HydrophobicContact CZ-CD1 3.98Å; F309-I313 WeakPolarHBondContact O-CG2 3.35Å; F309-I313 PolarHBondContact O-N 3.41Å; Q310-I313 WeakPolarHBondContact O-CG2 3.42Å; Q310-I313 PolarHBondContact O-N 3.15Å; I313-S316 PolarHBondContact O-N 3.1Å; I313-S316 PolarHBondContact O-OG 2.92Å; I313-L354 HydrophobicContact CD1-CD1 4.41Å; I313-L439 HydrophobicContact CD1-CD2 3.54Å; I313-I446 HydrophobicContact CG2-CD1 3.87Å; I313-I446 HydrophobicContact CG2-CG2 3.99Å; I313-L448 HydrophobicContact CG1-CD1 4.46Å; I313-L448 HydrophobicContact CG1-CD2 4.31Å; I313-L448 HydrophobicContact CG2-CD2 3.99Å
314Q95.3Very high95.8Very high72 Ų7231.2 Ų31.234%0.33615%0.15SC..Hα-helixtrans-61.6-45.4173.1-75.2176.4-2500111.7Q310 S316 F317 I446 D447 L448Q310-Q314 WeakPolarHBondContact O-CB 3.42Å; Q310-Q314 VanDerWaalsContact O-CG 3.23Å; Q310-Q314 WeakPolarHBondContact O-CG 3.09Å; Q310-Q314 PolarHBondContact O-N 3.29Å; Q314-S316 PolarHBondContact O-N 3.18Å; Q314-F317 PolarHBondContact O-N 3.37Å; Q314-I446 HydrophobicContact CG-CG2 4.06Å; Q314-D447 PolarHBondContact NE2-O 3.01Å; Q314-L448 HydrophobicContact CB-CD2 4.37Å; Q314-L448 HydrophobicContact CG-CD2 3.73Å
315S96.6Very high95.7Very high26 Ų2628 Ų2818%0.18214%0.138CC..Hα-helixtrans-68.4-26.2178.8-57.70000112.9L236 Q311 L312 F317L236-S315 WeakPolarHBondContact CD2-O 3.47Å; Q311-S315 VanDerWaalsContact O-CB 3.3Å; Q311-S315 WeakPolarHBondContact O-CB 3.26Å; Q311-S315 PolarHBondContact O-N 2.64Å; Q311-S315 PolarHBondContact O-OG 3.41Å; L312-S315 PolarHBondContact O-N 3.18Å; S315-F317 VanDerWaalsContact C-N 3.26Å; S315-F317 PolarHBondContact O-N 2.7Å
316S96.4Very high95.6Very high0 Ų031.8 Ų31.80%016%0.163CC..THydrogen-bonded Turntrans-72.5-15.8178.283.10000113.9L312 I313 Q314 V318 L347 L348L312-S316 WeakPolarHBondContact O-CB 3.22Å; L312-S316 PolarHBondContact O-N 3.11Å; I313-S316 PolarHBondContact O-N 3.1Å; I313-S316 PolarHBondContact O-OG 2.92Å; Q314-S316 PolarHBondContact O-N 3.18Å; S316-V318 PolarHBondContact O-N 3.44Å; S316-L347 WeakPolarHBondContact O-CA 3.41Å; S316-L347 WeakPolarHBondContact OG-CD1 3.33Å; S316-L347 WeakPolarHBondContact OG-CG 3.37Å; S316-L348 WeakPolarHBondContact O-CG 3.42Å; S316-L348 PolarHBondContact O-N 3.25Å
317F97.1Very high95.5Very high2 Ų233.3 Ų33.31%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-85.1103.2-179.2-177.1-137.2000110.9Q314 S315 L345 L347 V360 M390 F435 T437 L448 T450Q314-F317 PolarHBondContact O-N 3.37Å; S315-F317 VanDerWaalsContact C-N 3.26Å; S315-F317 PolarHBondContact O-N 2.7Å; F317-L345 HydrophobicContact CE2-CB 4.08Å; F317-L345 HydrophobicContact CE2-CD1 3.96Å; F317-L345 HydrophobicContact CE2-CD2 4.44Å; F317-L345 HydrophobicContact CE2-CG 4.41Å; F317-L345 HydrophobicContact CZ-CD1 3.94Å; F317-L347 HydrophobicContact CB-CD1 3.85Å; F317-L347 HydrophobicContact CD2-CD1 4.41Å; F317-V360 HydrophobicContact CZ-CG1 4.04Å; F317-V360 HydrophobicContact CZ-CG2 4.48Å; F317-M390 HydrophobicContact CD2-CE 3.54Å; F317-M390 HydrophobicContact CE2-CE 3.16Å; F317-M390 HydrophobicContact CZ-CE 4.18Å; F317-F435 HydrophobicContact CE1-CB 4.14Å; F317-F435 WeakPolarHBondContact CE1-O 3.5Å; F317-F435 HydrophobicContact CZ-CB 3.84Å; F317-T437 HydrophobicContact CE1-CG2 4.21Å; F317-T437 HydrophobicContact CZ-CG2 4.18Å; F317-L448 HydrophobicContact CB-CB 4.29Å; F317-L448 HydrophobicContact CD1-CB 3.73Å; F317-L448 HydrophobicContact CE1-CB 4.33Å; F317-L448 HydrophobicContact CG-CB 4.19Å; F317-T450 HydrophobicContact CD1-CG2 3.67Å; F317-T450 HydrophobicContact CD2-CG2 4.36Å; F317-T450 HydrophobicContact CE1-CG2 3.58Å; F317-T450 HydrophobicContact CE2-CG2 4.23Å; F317-T450 HydrophobicContact CG-CG2 4.09Å; F317-T450 HydrophobicContact CZ-CG2 3.88Å; F317-T450 VanDerWaalsContact O-CB 3.23Å; F317-T450 WeakPolarHBondContact O-CB 3.2Å; F317-T450 PolarHBondContact O-OG1 3.17Å
318V96.2Very high95.3Very high2 Ų232.8 Ų32.81%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-130.3157.1-171.4-61.80000112.9L236 W239 L256 S316 E320 L345 R346 L348L236-V318 HydrophobicContact CD1-CG1 4.08Å; W239-V318 HydrophobicContact CZ3-CB 4.49Å; W239-V318 HydrophobicContact CZ3-CG2 4.49Å; L256-V318 HydrophobicContact CD1-CG2 4.4Å; S316-V318 PolarHBondContact O-N 3.44Å; V318-E320 PolarHBondContact O-N 2.91Å; V318-L345 WeakPolarHBondContact O-CA 3.45Å; V318-R346 PolarHBondContact N-O 3.28Å; V318-R346 PolarHBondContact O-N 3.47Å; V318-L348 HydrophobicContact CG2-CD1 4.35Å; V318-L348 HydrophobicContact CG2-CD2 4.09Å; V318-L348 HydrophobicContact CG2-CG 4.07Å
319V96Very high94.9Very high6 Ų636.9 Ų36.94%0.03619%0.194CC..EExtended strand (participates in β ladder)trans-81.7107.7168.1-1750000108.1Q243 R321 V343 L345 F435 T450Q243-V319 PolarHBondContact NE2-O 3.35Å; V319-R321 WeakPolarHBondContact CG1-O 3.32Å; V319-V343 HydrophobicContact CG1-CG1 3.98Å; V319-L345 HydrophobicContact CB-CD2 4.29Å; V319-L345 HydrophobicContact CG2-CD2 3.73Å; V319-F435 HydrophobicContact CG2-CD2 4.13Å; V319-F435 HydrophobicContact CG2-CE2 3.99Å; V319-T450 HydrophobicContact CG2-CG2 4.14Å
320E94.6Very high94.5Very high46 Ų4640 Ų4022%0.21521%0.208CC..EExtended strand (participates in β ladder)trans-75.2-44.9178173172.8-129.200111.3Q243 L256 V318 K344 R346Q243-E320 PolarHBondContact NE2-O 3.03Å; L256-E320 HydrophobicContact CD1-CB 3.95Å; L256-E320 HydrophobicContact CD1-CG 3.82Å; V318-E320 PolarHBondContact O-N 2.91Å; E320-K344 PolarHBondContact N-O 3.39Å; E320-K344 WeakPolarHBondContact OE2-CD 3.37Å; E320-K344 WeakPolarHBondContact OE2-CE 3.44Å; E320-K344 IonicContact OE2-NZ 3.44Å; E320-K344 PolarHBondContact OE2-NZ 3.32Å; E320-R346 HydrophobicContact CB-CB 3.89Å; E320-R346 VanDerWaalsContact OE1-CD 3.3Å; E320-R346 WeakPolarHBondContact OE1-CD 3.46Å; E320-R346 IonicContact OE1-CZ 3.26Å; E320-R346 IonicContact OE1-NE 2.8Å; E320-R346 IonicContact OE1-NH1 3.83Å; E320-R346 PolarHBondContact OE1-NH1 2.98Å
321R95Very high94.5Very high121 Ų12137.9 Ų37.946%0.45720%0.198SC..EExtended strand (participates in β ladder)trans-122114.9176.1-168.6-175.4-66.5151.10.5109.5V319 V343 K344 E403V319-R321 WeakPolarHBondContact CG1-O 3.32Å; R321-V343 WeakPolarHBondContact O-CG1 3.48Å; R321-K344 HydrophobicContact CB-CB 3.69Å; R321-K344 PolarHBondContact N-O 3.41Å; R321-K344 PolarHBondContact O-N 3.4Å; R321-K344 VanDerWaalsContact O-N 3.09Å; R321-E403 IonicContact NH1-OE1 3.62Å; R321-E403 PolarHBondContact NH1-OE1 2.94Å
322Q95.6Very high94.4Very high11 Ų1135.2 Ų35.25%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-61.6155.9179.1-67.7-64.7-18.100111.9C324 L333 L453Q322-C324 PolarHBondContact O-N 3.45Å; Q322-C324 VanDerWaalsContact O-N 3.16Å; Q322-L333 HydrophobicContact CB-CD2 3.93Å; Q322-L333 HydrophobicContact CG-CD2 4.44Å; Q322-L453 HydrophobicContact CG-CD1 4.04Å
323P96.8Very high94.4Very high0 Ų035.2 Ų35.20%019%0.187CC..EExtended strand (participates in β ladder)trans-50.8119.3178.2-2429.9000113L333 L335 F341 T342 V343 L433 V455P323-L333 HydrophobicContact CG-CD2 4.47Å; P323-L333 PolarHBondContact O-N 2.96Å; P323-L335 HydrophobicContact CB-CD1 4.17Å; P323-L335 HydrophobicContact CB-CD2 4.28Å; P323-F341 HydrophobicContact CB-CD2 4.22Å; P323-F341 HydrophobicContact CB-CE2 4.4Å; P323-T342 WeakPolarHBondContact CA-O 3.13Å; P323-V343 HydrophobicContact CB-CG2 3.94Å; P323-V343 HydrophobicContact CG-CG2 3.81Å; P323-L433 HydrophobicContact CB-CD1 3.9Å; P323-L433 HydrophobicContact CG-CD1 3.44Å; P323-L433 VanDerWaalsContact CG-CD1 3.44Å; P323-V455 HydrophobicContact CB-CG2 4.23Å; P323-V455 HydrophobicContact CG-CG2 4.03Å
324C96.6Very high94.5Very high19 Ų1935.1 Ų35.113%0.12819%0.187CC..EExtended strand (participates in β ladder)trans-146.4138.8-177-172.40000111.6Q322 P332 F341 T342Q322-C324 PolarHBondContact O-N 3.45Å; Q322-C324 VanDerWaalsContact O-N 3.16Å; C324-P332 HydrophobicContact CB-CB 4.31Å; C324-F341 WeakPolarHBondContact O-CA 3.4Å; C324-T342 PolarHBondContact N-O 3.03Å; C324-T342 PolarHBondContact O-N 3.35Å; C324-T342 PolarHBondContact O-OG1 3.17Å
325M95.6Very high94.6Very high2 Ų231.8 Ų31.81%0.0117%0.171CC..  trans-82.8123.9173.8-65.9-174.6-70.100109.8T327 H328 V334 L335 K336 V339 F341 L464M325-T327 PolarHBondContact O-N 2.96Å; M325-T327 VanDerWaalsContact O-N 3.08Å; M325-H328 HydrophobicContact CE-CB 4.37Å; M325-H328 CarbonylContact O-C 3.57Å; M325-H328 PolarHBondContact O-N 3.33Å; M325-V334 WeakPolarHBondContact CE-O 3.48Å; M325-L335 HydrophobicContact CG-CD2 4.06Å; M325-K336 HydrophobicContact CE-CB 4.14Å; M325-K336 HydrophobicContact SD-CB 3.7Å; M325-K336 PolarHBondContact SD-N 2.88Å; M325-V339 HydrophobicContact CG-CG1 4.29Å; M325-V339 HydrophobicContact SD-CB 3.95Å; M325-V339 HydrophobicContact SD-CG1 3.74Å; M325-F341 HydrophobicContact CG-CB 4.06Å; M325-L464 HydrophobicContact CE-CD1 4.15Å
326P92.9Very high94.5Very high84 Ų8433.1 Ų33.155%0.54517%0.173SC..THydrogen-bonded Turntrans-57.1-25.8176.5-28.236.6000114.3H328 Q340 T342P326-H328 VanDerWaalsContact C-N 3.29Å; P326-H328 PolarHBondContact O-N 3.34Å; P326-Q340 WeakPolarHBondContact CD-O 3.47Å; P326-T342 HydrophobicContact CG-CG2 3.72Å
327T92Very high94.3Very high92 Ų9234.5 Ų34.556%0.56418%0.182SC*.THydrogen-bonded Turntrans-73.7-18.9175.959.50000113.4M325M325-T327 PolarHBondContact O-N 2.96Å; M325-T327 VanDerWaalsContact O-N 3.08Å
328H90.3Very high94Very high58 Ų5836.9 Ų36.927%0.26921%0.207SC..  trans-137.464.4-178.4-60.8-69.6000111.2M325 P326 Q330 R331M325-H328 HydrophobicContact CE-CB 4.37Å; M325-H328 CarbonylContact O-C 3.57Å; M325-H328 PolarHBondContact O-N 3.33Å; P326-H328 VanDerWaalsContact C-N 3.29Å; P326-H328 PolarHBondContact O-N 3.34Å; H328-Q330 PolarHBondContact O-N 2.75Å; H328-Q330 VanDerWaalsContact O-N 3.12Å; H328-R331 PolarHBondContact O-N 3.4Å; H328-R331 VanDerWaalsContact O-N 3.1Å
329P90Very high94Very high93 Ų9338.2 Ų38.260%0.60422%0.215SC*.THydrogen-bonded Turntrans-64.2-22.4-17427-35.4000113.6R331P329-R331 VanDerWaalsContact C-N 3.26Å; P329-R331 PolarHBondContact O-N 2.96Å
330Q86.3Confident93.9Very high72 Ų7242.3 Ų42.334%0.33623%0.234SC..THydrogen-bonded Turntrans-75.6-9.9179.1-66.8-178-29.400113.8H328 P332H328-Q330 PolarHBondContact O-N 2.75Å; H328-Q330 VanDerWaalsContact O-N 3.12Å; Q330-P332 VanDerWaalsContact C-CD 3.5Å
331R93Very high94Very high16 Ų1640.3 Ų40.36%0.0622%0.224CC..SBendtrans-129.666.9-173.7-56.1-64.8-168.8-154.74110.4H328 P329 L464 W468 E559H328-R331 PolarHBondContact O-N 3.4Å; H328-R331 VanDerWaalsContact O-N 3.1Å; P329-R331 VanDerWaalsContact C-N 3.26Å; P329-R331 PolarHBondContact O-N 2.96Å; R331-L464 HydrophobicContact CG-CD2 3.95Å; R331-L464 HydrophobicContact CG-CG 4.35Å; R331-W468 HydrophobicContact CB-CE3 4.1Å; R331-W468 HydrophobicContact CB-CZ3 4.49Å; R331-W468 VanDerWaalsContact CD-CD2 3.4Å; R331-W468 VanDerWaalsContact CD-CG 3.5Å; R331-W468 VanDerWaalsContact NH1-CD1 3.26Å; R331-E559 IonicContact NH2-OE1 3.24Å
332P94.9Very high94.1Very high16 Ų1635.4 Ų35.410%0.10421%0.208CC..THydrogen-bonded Turntrans-60.3162.4173.228.5-35.7000111C247 C324 Q330 V334 W468C247-P332 HydrophobicContact CB-CG 4.19Å; C247-P332 WeakPolarHBondContact O-CG 3.03Å; C324-P332 HydrophobicContact CB-CB 4.31Å; Q330-P332 VanDerWaalsContact C-CD 3.5Å; P332-V334 PolarHBondContact O-N 3.33Å; P332-W468 HydrophobicContact CG-CH2 4.14Å; P332-W468 HydrophobicContact CG-CZ3 4.01Å; P332-W468 WeakPolarHBondContact O-CZ3 3.36Å
333L96.5Very high94.2Very high0 Ų034.9 Ų34.90%021%0.206CC..THydrogen-bonded Turntrans63.61.5178.4-51.8172.7000115.9Q322 P323 L453 V455 V456 I471Q322-L333 HydrophobicContact CB-CD2 3.93Å; Q322-L333 HydrophobicContact CG-CD2 4.44Å; P323-L333 HydrophobicContact CG-CD2 4.47Å; P323-L333 PolarHBondContact O-N 2.96Å; L333-L453 HydrophobicContact CD1-CB 3.79Å; L333-L453 HydrophobicContact CD1-CD1 4Å; L333-L453 HydrophobicContact CD2-CB 3.9Å; L333-V455 HydrophobicContact CD2-CG2 4.08Å; L333-V455 CarbonylContact O-C 3.58Å; L333-V455 VanDerWaalsContact O-CA 3.28Å; L333-V455 WeakPolarHBondContact O-CA 3.4Å; L333-V455 WeakPolarHBondContact O-CG1 3.33Å; L333-V456 PolarHBondContact O-N 2.64Å; L333-I471 HydrophobicContact CB-CD1 3.62Å; L333-I471 HydrophobicContact CB-CG1 3.96Å; L333-I471 HydrophobicContact CB-CG2 4Å; L333-I471 HydrophobicContact CD1-CG2 3.92Å
334V97Very high94.1Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-107.4113.3168.5-174.70000108.2M325 P332 I458 L464 W468 I471M325-V334 WeakPolarHBondContact CE-O 3.48Å; P332-V334 PolarHBondContact O-N 3.33Å; V334-I458 HydrophobicContact CG1-CD1 3.78Å; V334-I458 HydrophobicContact CG1-CG1 4.2Å; V334-I458 HydrophobicContact CG1-CG2 4.06Å; V334-L464 HydrophobicContact CG1-CD1 4.08Å; V334-W468 HydrophobicContact CG2-CB 4.44Å; V334-W468 HydrophobicContact CG2-CE3 4.19Å; V334-I471 HydrophobicContact CG2-CG1 3.74Å
335L96.6Very high94.1Very high1 Ų135 Ų351%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-113127.3-176.2-60.2-173.5000111P323 M325 F341 L409 V455 V456 V457 I458P323-L335 HydrophobicContact CB-CD1 4.17Å; P323-L335 HydrophobicContact CB-CD2 4.28Å; M325-L335 HydrophobicContact CG-CD2 4.06Å; L335-F341 HydrophobicContact CD1-CD1 4.02Å; L335-F341 HydrophobicContact CD1-CD2 3.86Å; L335-F341 HydrophobicContact CD1-CE1 4.02Å; L335-F341 HydrophobicContact CD1-CE2 3.84Å; L335-F341 HydrophobicContact CD1-CG 3.94Å; L335-F341 HydrophobicContact CD1-CZ 3.91Å; L335-F341 HydrophobicContact CD2-CB 3.66Å; L335-F341 HydrophobicContact CD2-CD1 4.36Å; L335-F341 HydrophobicContact CD2-CD2 4.05Å; L335-F341 HydrophobicContact CD2-CG 3.77Å; L335-F341 HydrophobicContact CG-CG 4.47Å; L335-L409 HydrophobicContact CB-CD1 4.09Å; L335-L409 HydrophobicContact CD1-CD1 3.86Å; L335-V455 HydrophobicContact CB-CG1 4.07Å; L335-V455 HydrophobicContact CD1-CG1 3.61Å; L335-V455 HydrophobicContact CG-CG1 3.52Å; L335-V456 PolarHBondContact N-O 3.3Å; L335-V457 CarbonylContact O-C 3.54Å; L335-V457 WeakPolarHBondContact O-CA 3.11Å; L335-I458 PolarHBondContact O-N 3.3Å
336K95Very high94.1Very high54 Ų5435.3 Ų35.324%0.23521%0.205CC..EExtended strand (participates in β ladder)trans-90.4131.2174.6-178.1173170.7-72.70111M325 G338 V339 I458 S459 V461M325-K336 HydrophobicContact CE-CB 4.14Å; M325-K336 HydrophobicContact SD-CB 3.7Å; M325-K336 PolarHBondContact SD-N 2.88Å; K336-G338 PolarHBondContact O-N 3.39Å; K336-V339 HydrophobicContact CB-CB 4.2Å; K336-V339 HydrophobicContact CB-CG2 3.88Å; K336-V339 HydrophobicContact CD-CG2 3.82Å; K336-V339 HydrophobicContact CG-CG2 3.82Å; K336-V339 PolarHBondContact O-N 3.07Å; K336-V339 VanDerWaalsContact O-N 3.12Å; K336-I458 CarbonylContact C-O 3.49Å; K336-I458 WeakPolarHBondContact CA-O 3.45Å; K336-I458 HydrophobicContact CB-CD1 4.26Å; K336-I458 HydrophobicContact CB-CG1 3.85Å; K336-I458 HydrophobicContact CG-CG1 4.3Å; K336-S459 WeakPolarHBondContact CE-O 3.36Å; K336-V461 HydrophobicContact CD-CG2 3.9Å
337T93.4Very high94.2Very high30 Ų3031.3 Ų31.318%0.18418%0.179CC..THydrogen-bonded Turntrans-56.4135.2174.558.30000111.3V339 F380 L409 V457 I458T337-V339 PolarHBondContact O-N 3.49Å; T337-F380 HydrophobicContact CG2-CD1 4.15Å; T337-F380 HydrophobicContact CG2-CE1 3.73Å; T337-L409 WeakPolarHBondContact CA-O 3.17Å; T337-V457 HydrophobicContact CG2-CG1 3.66Å; T337-I458 PolarHBondContact N-O 2.89Å
338G90.4Very high94.4Very high52 Ų5226.9 Ų26.954%0.53615%0.152SC..THydrogen-bonded Turntrans76.2-2.9-178.100000115.8K336 Q408 L409K336-G338 PolarHBondContact O-N 3.39Å; G338-Q408 PolarHBondContact O-NE2 3.18Å; G338-L409 PolarHBondContact N-O 3.05Å
339V94.6Very high94.5Very high30 Ų3024.1 Ų24.118%0.18214%0.139CC..SBendtrans-97.5143.3174.6-178.30000109.7M325 K336 T337M325-V339 HydrophobicContact CG-CG1 4.29Å; M325-V339 HydrophobicContact SD-CB 3.95Å; M325-V339 HydrophobicContact SD-CG1 3.74Å; K336-V339 HydrophobicContact CB-CB 4.2Å; K336-V339 HydrophobicContact CB-CG2 3.88Å; K336-V339 HydrophobicContact CD-CG2 3.82Å; K336-V339 HydrophobicContact CG-CG2 3.82Å; K336-V339 PolarHBondContact O-N 3.07Å; K336-V339 VanDerWaalsContact O-N 3.12Å; T337-V339 PolarHBondContact O-N 3.49Å
340Q95.8Very high94.6Very high92 Ų9222.8 Ų22.843%0.4312%0.124SC..EExtended strand (participates in β ladder)trans-72.8139.5176.1-64.3-172.24.900110.9P326 H406 L407 Q408P326-Q340 WeakPolarHBondContact CD-O 3.47Å; Q340-H406 PolarHBondContact OE1-ND1 3.35Å; Q340-L407 CarbonylContact C-O 3.46Å; Q340-L407 VanDerWaalsContact CA-O 3.29Å; Q340-L407 WeakPolarHBondContact CA-O 3.37Å; Q340-Q408 HydrophobicContact CB-CG 4.33Å; Q340-Q408 HydrophobicContact CG-CG 3.65Å
341F96.6Very high94.6Very high3 Ų320.2 Ų20.21%0.01311%0.112CC..EExtended strand (participates in β ladder)trans-134.2162.5173.271.6-84.8000110.9P323 C324 M325 L335 V343 L407 L409 L433P323-F341 HydrophobicContact CB-CD2 4.22Å; P323-F341 HydrophobicContact CB-CE2 4.4Å; C324-F341 WeakPolarHBondContact O-CA 3.4Å; M325-F341 HydrophobicContact CG-CB 4.06Å; L335-F341 HydrophobicContact CD1-CD1 4.02Å; L335-F341 HydrophobicContact CD1-CD2 3.86Å; L335-F341 HydrophobicContact CD1-CE1 4.02Å; L335-F341 HydrophobicContact CD1-CE2 3.84Å; L335-F341 HydrophobicContact CD1-CG 3.94Å; L335-F341 HydrophobicContact CD1-CZ 3.91Å; L335-F341 HydrophobicContact CD2-CB 3.66Å; L335-F341 HydrophobicContact CD2-CD1 4.36Å; L335-F341 HydrophobicContact CD2-CD2 4.05Å; L335-F341 HydrophobicContact CD2-CG 3.77Å; L335-F341 HydrophobicContact CG-CG 4.47Å; F341-V343 HydrophobicContact CD2-CG2 4.06Å; F341-V343 HydrophobicContact CE2-CG2 3.86Å; F341-L407 HydrophobicContact CD1-CB 3.98Å; F341-L407 WeakPolarHBondContact CD1-O 3.28Å; F341-L407 HydrophobicContact CD2-CB 4.19Å; F341-L407 HydrophobicContact CD2-CD1 4.46Å; F341-L407 HydrophobicContact CE1-CB 3.5Å; F341-L407 VanDerWaalsContact CE1-CB 3.5Å; F341-L407 HydrophobicContact CE2-CB 3.75Å; F341-L407 HydrophobicContact CE2-CD1 3.68Å; F341-L407 HydrophobicContact CE2-CG 4.38Å; F341-L407 HydrophobicContact CG-CB 4.31Å; F341-L407 HydrophobicContact CZ-CB 3.38Å; F341-L407 HydrophobicContact CZ-CD1 3.89Å; F341-L407 HydrophobicContact CZ-CG 4.28Å; F341-L407 PolarHBondContact N-O 3.41Å; F341-L407 PolarHBondContact O-N 3.46Å; F341-L409 HydrophobicContact CE1-CD2 4.32Å; F341-L409 HydrophobicContact CE1-CG 3.87Å; F341-L409 HydrophobicContact CZ-CD2 4.49Å; F341-L409 HydrophobicContact CZ-CG 4.41Å; F341-L433 HydrophobicContact CE2-CD1 3.74Å; F341-L433 HydrophobicContact CZ-CD1 4.17Å; F341-L433 HydrophobicContact CZ-CD2 4.49Å
342T96.6Very high94.2Very high19 Ų1926.2 Ų26.212%0.11714%0.141CC..EExtended strand (participates in β ladder)trans-120.8149.2-17772.80000111.6P323 C324 P326 F404 R405P323-T342 WeakPolarHBondContact CA-O 3.13Å; C324-T342 PolarHBondContact N-O 3.03Å; C324-T342 PolarHBondContact O-N 3.35Å; C324-T342 PolarHBondContact O-OG1 3.17Å; P326-T342 HydrophobicContact CG-CG2 3.72Å; T342-F404 CarbonylContact C-O 3.51Å; T342-F404 WeakPolarHBondContact CA-O 3.32Å; T342-F404 WeakPolarHBondContact CB-O 3.28Å; T342-R405 HydrophobicContact CG2-CB 4.37Å
343V96.7Very high93.7Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-140.5141.5170.5-172.50000108.1V319 R321 P323 F341 F404 L407 L433 F435V319-V343 HydrophobicContact CG1-CG1 3.98Å; R321-V343 WeakPolarHBondContact O-CG1 3.48Å; P323-V343 HydrophobicContact CB-CG2 3.94Å; P323-V343 HydrophobicContact CG-CG2 3.81Å; F341-V343 HydrophobicContact CD2-CG2 4.06Å; F341-V343 HydrophobicContact CE2-CG2 3.86Å; V343-F404 PolarHBondContact N-O 3.18Å; V343-F404 PolarHBondContact O-N 2.82Å; V343-L407 HydrophobicContact CG2-CD1 4.22Å; V343-L433 HydrophobicContact CG2-CD1 4.25Å; V343-F435 HydrophobicContact CB-CZ 4.25Å; V343-F435 HydrophobicContact CG1-CE1 4.19Å; V343-F435 HydrophobicContact CG1-CE2 4.28Å; V343-F435 HydrophobicContact CG1-CZ 3.61Å; V343-F435 HydrophobicContact CG2-CZ 4.3Å
344K95.8Very high93.1Very high20 Ų2030.7 Ų30.79%0.08716%0.161CC..EExtended strand (participates in β ladder)trans-122.3126.8173.5-165.7178-179.8-153.30110.6E320 R321 E393 E403E320-K344 PolarHBondContact N-O 3.39Å; E320-K344 WeakPolarHBondContact OE2-CD 3.37Å; E320-K344 WeakPolarHBondContact OE2-CE 3.44Å; E320-K344 IonicContact OE2-NZ 3.44Å; E320-K344 PolarHBondContact OE2-NZ 3.32Å; R321-K344 HydrophobicContact CB-CB 3.69Å; R321-K344 PolarHBondContact N-O 3.41Å; R321-K344 PolarHBondContact O-N 3.4Å; R321-K344 VanDerWaalsContact O-N 3.09Å; K344-E393 WeakPolarHBondContact CE-OE1 3.4Å; K344-E393 WeakPolarHBondContact CE-OE2 3.49Å; K344-E393 IonicContact NZ-OE1 3.67Å; K344-E393 IonicContact NZ-OE2 3.87Å; K344-E393 PolarHBondContact NZ-OE2 3.17Å; K344-E403 HydrophobicContact CB-CG 4.3Å; K344-E403 HydrophobicContact CG-CB 4.12Å; K344-E403 HydrophobicContact CG-CG 4.3Å
345L95.7Very high92.7Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-104149.7173.6-59.4170000109.7F317 V318 V319 V360 M390 A401 A402 F404 F435 T450F317-L345 HydrophobicContact CE2-CB 4.08Å; F317-L345 HydrophobicContact CE2-CD1 3.96Å; F317-L345 HydrophobicContact CE2-CD2 4.44Å; F317-L345 HydrophobicContact CE2-CG 4.41Å; F317-L345 HydrophobicContact CZ-CD1 3.94Å; V318-L345 WeakPolarHBondContact O-CA 3.45Å; V319-L345 HydrophobicContact CB-CD2 4.29Å; V319-L345 HydrophobicContact CG2-CD2 3.73Å; L345-V360 HydrophobicContact CD1-CB 4.37Å; L345-V360 HydrophobicContact CD1-CG1 3.5Å; L345-V360 HydrophobicContact CD1-CG2 4.45Å; L345-M390 HydrophobicContact CB-CE 4.49Å; L345-A401 CarbonylContact O-C 3.44Å; L345-A401 WeakPolarHBondContact O-CA 3.3Å; L345-A401 WeakPolarHBondContact O-CB 3.48Å; L345-A402 PolarHBondContact N-O 3.37Å; L345-A402 PolarHBondContact O-N 3.28Å; L345-F404 HydrophobicContact CD1-CE2 3.82Å; L345-F435 HydrophobicContact CD1-CB 3.75Å; L345-F435 HydrophobicContact CD1-CD1 3.49Å; L345-F435 VanDerWaalsContact CD1-CD1 3.49Å; L345-F435 HydrophobicContact CD1-CD2 4.46Å; L345-F435 HydrophobicContact CD1-CE1 4.19Å; L345-F435 HydrophobicContact CD1-CG 3.64Å; L345-F435 HydrophobicContact CD2-CB 4.18Å; L345-F435 HydrophobicContact CD2-CD1 4.06Å; L345-F435 HydrophobicContact CD2-CD2 3.65Å; L345-F435 HydrophobicContact CD2-CE1 4.37Å; L345-F435 HydrophobicContact CD2-CE2 4.02Å; L345-F435 HydrophobicContact CD2-CG 3.68Å; L345-F435 HydrophobicContact CD2-CZ 4.38Å; L345-F435 HydrophobicContact CG-CD1 4.17Å; L345-F435 HydrophobicContact CG-CE1 4.49Å; L345-F435 HydrophobicContact CG-CG 4.21Å; L345-T450 HydrophobicContact CD2-CG2 4.11Å
346R95.4Very high92.2Very high9 Ų939.4 Ų39.43%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-138.9140.3175.8-175.8165.1172175.2-1.9109.7L256 D257 V318 E320 L348L256-R346 HydrophobicContact CD1-CB 4.5Å; D257-R346 IonicContact OD1-CZ 3.58Å; D257-R346 IonicContact OD1-NH1 2.77Å; D257-R346 IonicContact OD1-NH2 3.01Å; D257-R346 PolarHBondContact OD1-NH2 2.63Å; V318-R346 PolarHBondContact N-O 3.28Å; V318-R346 PolarHBondContact O-N 3.47Å; E320-R346 HydrophobicContact CB-CB 3.89Å; E320-R346 VanDerWaalsContact OE1-CD 3.3Å; E320-R346 WeakPolarHBondContact OE1-CD 3.46Å; E320-R346 IonicContact OE1-CZ 3.26Å; E320-R346 IonicContact OE1-NE 2.8Å; E320-R346 IonicContact OE1-NH1 3.83Å; E320-R346 PolarHBondContact OE1-NH1 2.98Å; R346-L348 HydrophobicContact CG-CD2 4.48Å
347L95.9Very high91.8Very high0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-95.3119.8165.1-162.673000107.8S316 F317 V349 L354 L358 M390 L400 L448S316-L347 WeakPolarHBondContact O-CA 3.41Å; S316-L347 WeakPolarHBondContact OG-CD1 3.33Å; S316-L347 WeakPolarHBondContact OG-CG 3.37Å; F317-L347 HydrophobicContact CB-CD1 3.85Å; F317-L347 HydrophobicContact CD2-CD1 4.41Å; L347-V349 HydrophobicContact CD2-CB 4.44Å; L347-V349 WeakPolarHBondContact CD2-O 3.18Å; L347-V349 HydrophobicContact CG-CB 4.4Å; L347-V349 PolarHBondContact O-N 3.08Å; L347-L354 HydrophobicContact CD2-CD1 3.81Å; L347-L358 HydrophobicContact CD2-CD1 3.7Å; L347-M390 HydrophobicContact CB-SD 4.09Å; L347-L400 HydrophobicContact CB-CD2 4.2Å; L347-L400 HydrophobicContact CB-CG 4.43Å; L347-L400 HydrophobicContact CD2-CD2 3.85Å; L347-L400 PolarHBondContact N-O 2.98Å; L347-L448 HydrophobicContact CD1-CD1 4.03Å
348L95.6Very high91.7Very high0 Ų040 Ų400%020%0.202CC..SBendtrans-71-20.1179.6-55.7178.2000112.3L236 L256 L259 Q260 F263 T264 S316 V318 R346L236-L348 HydrophobicContact CD1-CD1 3.92Å; L256-L348 HydrophobicContact CB-CD2 4.05Å; L256-L348 HydrophobicContact CD1-CD2 3.99Å; L256-L348 HydrophobicContact CD2-CD2 3.67Å; L256-L348 HydrophobicContact CG-CD2 4.12Å; L259-L348 HydrophobicContact CB-CD1 4.28Å; Q260-L348 WeakPolarHBondContact CA-O 3.4Å; Q260-L348 WeakPolarHBondContact CG-O 3.27Å; Q260-L348 VanDerWaalsContact O-O 3.12Å; F263-L348 HydrophobicContact CB-CB 3.9Å; F263-L348 HydrophobicContact CD1-CB 4.36Å; F263-L348 HydrophobicContact CD2-CB 4.07Å; F263-L348 HydrophobicContact CD2-CD1 3.89Å; F263-L348 HydrophobicContact CE2-CD1 3.84Å; F263-L348 HydrophobicContact CG-CB 3.85Å; F263-L348 HydrophobicContact CG-CD1 4.39Å; F263-L348 HydrophobicContact CZ-CD1 4.31Å; T264-L348 PolarHBondContact OG1-O 2.94Å; S316-L348 WeakPolarHBondContact O-CG 3.42Å; S316-L348 PolarHBondContact O-N 3.25Å; V318-L348 HydrophobicContact CG2-CD1 4.35Å; V318-L348 HydrophobicContact CG2-CD2 4.09Å; V318-L348 HydrophobicContact CG2-CG 4.07Å; R346-L348 HydrophobicContact CG-CD2 4.48Å
349V93.8Very high91.9Very high0 Ų043.1 Ų43.10%020%0.201CC..  trans-82.8116.6169.2173.90000109.2F263 A267 L347 L351 L354F263-V349 HydrophobicContact CB-CG2 4.2Å; F263-V349 HydrophobicContact CD1-CG2 4.43Å; A267-V349 HydrophobicContact CB-CB 4.33Å; A267-V349 HydrophobicContact CB-CG1 3.57Å; A267-V349 HydrophobicContact CB-CG2 3.79Å; L347-V349 HydrophobicContact CD2-CB 4.44Å; L347-V349 WeakPolarHBondContact CD2-O 3.18Å; L347-V349 HydrophobicContact CG-CB 4.4Å; L347-V349 PolarHBondContact O-N 3.08Å; V349-L351 HydrophobicContact CG1-CD1 3.89Å; V349-L351 HydrophobicContact CG1-CG 3.78Å; V349-L354 HydrophobicContact CG1-CD1 4.31Å
350K91Very high92Very high65 Ų6541.7 Ų41.728%0.28319%0.192SC..  trans-108.789.1-180-171.5-163.7174.8-171.10110.6Q260 T264 M392 N397Q260-K350 HydrophobicContact CG-CB 4.42Å; T264-K350 HydrophobicContact CG2-CB 4.24Å; T264-K350 WeakPolarHBondContact CG2-O 3.29Å; T264-K350 PolarHBondContact OG1-N 2.98Å; K350-M392 HydrophobicContact CD-CE 4.38Å; K350-M392 HydrophobicContact CD-SD 4.4Å; K350-M392 HydrophobicContact CG-CE 3.54Å; K350-M392 HydrophobicContact CG-SD 3.96Å; K350-N397 PolarHBondContact NZ-O 2.99Å
351L87Confident92Very high17 Ų1742.5 Ų42.59%0.08919%0.194CC..  trans-112.1135.9173-59.5173.8000109.9E268 Q271 V349 E353 L354E268-L351 HydrophobicContact CG-CD2 3.54Å; Q271-L351 HydrophobicContact CG-CD1 4.34Å; V349-L351 HydrophobicContact CG1-CD1 3.89Å; V349-L351 HydrophobicContact CG1-CG 3.78Å; L351-E353 PolarHBondContact O-N 3.38Å; L351-L354 HydrophobicContact CB-CD1 3.94Å; L351-L354 HydrophobicContact CB-CG 3.97Å; L351-L354 HydrophobicContact CD1-CD1 4.26Å; L351-L354 HydrophobicContact CG-CD1 4.36Å; L351-L354 WeakPolarHBondContact O-CB 3.45Å; L351-L354 PolarHBondContact O-N 3.29Å
352Q84.5Confident91.9Very high142 Ų14242.5 Ų42.566%0.66419%0.194SC*.G310 helixtrans-62.1-31.8-178.8-16169.3-5.300112L354 N355Q352-L354 PolarHBondContact O-N 3.48Å; Q352-N355 WeakPolarHBondContact O-CB 3.46Å; Q352-N355 PolarHBondContact O-N 2.79Å
353E83.8Confident91.7Very high110 Ų11044.4 Ų44.451%0.51420%0.204SC..G310 helixtrans-63-15.6175.9-58.3174.6-157.800114L351 N357 Q441L351-E353 PolarHBondContact O-N 3.38Å; E353-N357 PolarHBondContact O-ND2 3.03Å; E353-Q441 PolarHBondContact OE2-NE2 3.47Å
354L85.1Confident91.5Very high1 Ų145 Ų451%0.00521%0.206CC..G310 helixtrans-94.4-10.2179.9-59.5177000112.7I313 L347 V349 L351 Q352 Y356 N357 L358 L400 L439I313-L354 HydrophobicContact CD1-CD1 4.41Å; L347-L354 HydrophobicContact CD2-CD1 3.81Å; V349-L354 HydrophobicContact CG1-CD1 4.31Å; L351-L354 HydrophobicContact CB-CD1 3.94Å; L351-L354 HydrophobicContact CB-CG 3.97Å; L351-L354 HydrophobicContact CD1-CD1 4.26Å; L351-L354 HydrophobicContact CG-CD1 4.36Å; L351-L354 WeakPolarHBondContact O-CB 3.45Å; L351-L354 PolarHBondContact O-N 3.29Å; Q352-L354 PolarHBondContact O-N 3.48Å; L354-Y356 PolarHBondContact O-N 3.18Å; L354-N357 PolarHBondContact O-N 3.28Å; L354-N357 VanDerWaalsContact O-N 3.13Å; L354-L358 HydrophobicContact CB-CD1 4.48Å; L354-L400 HydrophobicContact CB-CD2 3.77Å; L354-L400 HydrophobicContact CD1-CD2 4.43Å; L354-L439 HydrophobicContact CD2-CD1 3.36Å; L354-L439 HydrophobicContact CD2-CD2 3.85Å; L354-L439 HydrophobicContact CD2-CG 4.26Å
355N86.9Confident91Very high34 Ų3444.1 Ų44.118%0.18220%0.202CC..THydrogen-bonded Turntrans-61.6128.4-176.1-163.220000110.5Q352 N357 M392Q352-N355 WeakPolarHBondContact O-CB 3.46Å; Q352-N355 PolarHBondContact O-N 2.79Å; N355-N357 PolarHBondContact O-N 3.31Å; N355-N357 VanDerWaalsContact O-N 3.09Å; N355-M392 HydrophobicContact CB-CG 4.5Å; N355-M392 PolarHBondContact OD1-N 3.05Å
356Y86.6Confident90.5Very high150 Ų15046.5 Ų46.559%0.58821%0.213SC*.THydrogen-bonded Turntrans62.71-175.4-56.7-74.2000117.4L354 V389 M390 N391L354-Y356 PolarHBondContact O-N 3.18Å; Y356-V389 HydrophobicContact CD1-CG1 4.04Å; Y356-V389 WeakPolarHBondContact O-CG1 3.07Å; Y356-M390 PolarHBondContact N-O 3.49Å; Y356-N391 HydrophobicContact CD1-CB 4.35Å; Y356-N391 HydrophobicContact CE1-CB 3.72Å
357N87.3Confident89.7Confident97 Ų9751.2 Ų51.252%0.51924%0.238SC..THydrogen-bonded Turntrans-90.3-14.3-177.6-70.4-29.5000113.6E353 L354 N355E353-N357 PolarHBondContact O-ND2 3.03Å; L354-N357 PolarHBondContact O-N 3.28Å; L354-N357 VanDerWaalsContact O-N 3.13Å; N355-N357 PolarHBondContact O-N 3.31Å; N355-N357 VanDerWaalsContact O-N 3.09Å
358L91.2Very high88.8Confident0 Ų051.7 Ų51.70%024%0.242CC..  trans-104.2106.3-178.5-62.7173.8000110.5L347 L354 V389 M390 L400 T437 L439L347-L358 HydrophobicContact CD2-CD1 3.7Å; L354-L358 HydrophobicContact CB-CD1 4.48Å; L358-V389 WeakPolarHBondContact O-CA 3.43Å; L358-M390 HydrophobicContact CB-CB 4.24Å; L358-M390 HydrophobicContact CB-CG 4.21Å; L358-M390 HydrophobicContact CB-SD 4.16Å; L358-M390 HydrophobicContact CD1-SD 3.87Å; L358-M390 PolarHBondContact O-N 3.22Å; L358-L400 HydrophobicContact CD1-CD2 4.31Å; L358-T437 HydrophobicContact CD2-CG2 4.48Å; L358-L439 HydrophobicContact CD2-CB 3.86Å; L358-L439 HydrophobicContact CD2-CD1 4.03Å
359K94Very high87.8Confident117 Ų11757.4 Ų57.451%0.50927%0.272SS..EExtended strand (participates in β ladder)trans-97.1103.7174.3-173.7176.9-179.1176.50110.1T387 V389 T437K359-T387 WeakPolarHBondContact CE-OG1 3.38Å; K359-V389 HydrophobicContact CB-CG2 4.38Å; K359-V389 HydrophobicContact CG-CG2 4.23Å; K359-T437 PolarHBondContact N-OG1 3.44Å; K359-T437 PolarHBondContact O-OG1 2.96Å
360V96.1Very high86.7Confident0 Ų058.6 Ų58.60%028%0.277CS..EExtended strand (participates in β ladder)trans-81.6136.9179.7-169.10000111.2F317 L345 T387 K388 M390 A402 F404 F435 E436 T437F317-V360 HydrophobicContact CZ-CG1 4.04Å; F317-V360 HydrophobicContact CZ-CG2 4.48Å; L345-V360 HydrophobicContact CD1-CB 4.37Å; L345-V360 HydrophobicContact CD1-CG1 3.5Å; L345-V360 HydrophobicContact CD1-CG2 4.45Å; V360-T387 CarbonylContact O-C 3.6Å; V360-T387 WeakPolarHBondContact O-CA 3.36Å; V360-K388 WeakPolarHBondContact CA-O 3.36Å; V360-K388 WeakPolarHBondContact CB-O 3.46Å; V360-K388 PolarHBondContact N-O 2.92Å; V360-K388 PolarHBondContact O-N 3.39Å; V360-M390 HydrophobicContact CG2-CE 3.59Å; V360-M390 HydrophobicContact CG2-CG 3.79Å; V360-M390 HydrophobicContact CG2-SD 4.41Å; V360-A402 HydrophobicContact CG2-CB 4.29Å; V360-F404 HydrophobicContact CB-CE2 4.49Å; V360-F404 HydrophobicContact CB-CZ 4.17Å; V360-F404 HydrophobicContact CG1-CE2 4.33Å; V360-F404 HydrophobicContact CG1-CZ 4.2Å; V360-F435 HydrophobicContact CG1-CB 4.11Å; V360-E436 CarbonylContact C-O 3.22Å; V360-E436 VanDerWaalsContact CA-O 3.29Å; V360-E436 WeakPolarHBondContact CA-O 3.35Å; V360-T437 HydrophobicContact CG2-CG2 4.36Å
361K95.6Very high85.4Confident108 Ų10859.2 Ų59.247%0.4728%0.278SS..EExtended strand (participates in β ladder)trans-113.8140.7172.7-53.7-176.2-176.7166.60109.9H386 T387 F435 E436K361-H386 CarbonylContact C-O 3.51Å; K361-H386 WeakPolarHBondContact CA-O 3.24Å; K361-T387 HydrophobicContact CB-CG2 4.34Å; K361-T387 HydrophobicContact CG-CG2 3.82Å; K361-F435 WeakPolarHBondContact O-CA 3.21Å; K361-E436 PolarHBondContact N-O 2.87Å; K361-E436 PolarHBondContact O-N 3.46Å
362V95.4Very high84.6Confident4 Ų465.3 Ų65.32%0.02431%0.311CS..EExtended strand (participates in β ladder)trans-103.8131.4175.8-167.30000109.8I382 H386 F404 L407 L433 F435V362-I382 HydrophobicContact CB-CD1 4.16Å; V362-I382 HydrophobicContact CG1-CD1 3.55Å; V362-H386 PolarHBondContact N-O 3.47Å; V362-F404 HydrophobicContact CG2-CD1 3.57Å; V362-F404 HydrophobicContact CG2-CD2 4.11Å; V362-F404 HydrophobicContact CG2-CE1 3.21Å; V362-F404 HydrophobicContact CG2-CE2 3.8Å; V362-F404 HydrophobicContact CG2-CG 4Å; V362-F404 HydrophobicContact CG2-CZ 3.33Å; V362-L407 HydrophobicContact CG1-CD1 4.47Å; V362-L433 HydrophobicContact CG1-CD2 3.62Å; V362-F435 HydrophobicContact CB-CD1 4.26Å; V362-F435 HydrophobicContact CB-CE1 4.19Å; V362-F435 HydrophobicContact CG1-CD1 4Å; V362-F435 HydrophobicContact CG1-CE1 3.56Å; V362-F435 HydrophobicContact CG1-CZ 4.3Å; V362-F435 HydrophobicContact CG2-CD1 3.82Å; V362-F435 HydrophobicContact CG2-CE1 3.75Å
363L92.6Very high83.8Confident59 Ų5963.5 Ų63.531%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-126.9143.4177.2-59.7167.2000108.8K366 S434 E436L363-K366 HydrophobicContact CB-CB 4.08Å; L363-K366 HydrophobicContact CD1-CB 4.32Å; L363-K366 HydrophobicContact CD1-CD 3.85Å; L363-K366 HydrophobicContact CD1-CG 4.09Å; L363-S434 PolarHBondContact N-O 3.45Å; L363-S434 PolarHBondContact O-N 3.41Å; L363-E436 HydrophobicContact CD1-CG 4.11Å; L363-E436 WeakPolarHBondContact CD1-OE1 3.36Å
364F91.9Very high83.2Confident13 Ų1359.4 Ų59.46%0.05729%0.292CS..EExtended strand (participates in β ladder)trans-105.6132175.5-161.1-102.2000109.1K366 R371 F380 I382 L409 H431 L433 V457F364-K366 VanDerWaalsContact C-N 3.25Å; F364-K366 PolarHBondContact O-N 2.71Å; F364-R371 PolarHBondContact O-NH2 3.07Å; F364-F380 HydrophobicContact CD1-CB 3.87Å; F364-F380 HydrophobicContact CE1-CB 3.67Å; F364-F380 AromaticContact CE1-CD2 3.84Å; F364-F380 HydrophobicContact CE1-CD2 3.84Å; F364-F380 HydrophobicContact CE1-CG 4.14Å; F364-F380 HydrophobicContact CZ-CB 4.43Å; F364-F380 HydrophobicContact CZ-CD2 4.5Å; F364-I382 HydrophobicContact CB-CD1 3.86Å; F364-I382 HydrophobicContact CB-CG1 3.83Å; F364-I382 HydrophobicContact CG-CG1 4.48Å; F364-L409 HydrophobicContact CD2-CD2 3.77Å; F364-L409 HydrophobicContact CE2-CD1 3.8Å; F364-L409 HydrophobicContact CE2-CD2 3.8Å; F364-L409 HydrophobicContact CE2-CG 4.47Å; F364-L409 HydrophobicContact CG-CD2 4.19Å; F364-L409 HydrophobicContact CZ-CD1 3.89Å; F364-L409 HydrophobicContact CZ-CD2 4.24Å; F364-H431 HydrophobicContact CE1-CB 3.71Å; F364-H431 AromaticContact CE1-CG 3.79Å; F364-H431 AromaticContact CE1-ND1 3.71Å; F364-H431 HydrophobicContact CE2-CB 4.18Å; F364-H431 HydrophobicContact CZ-CB 3.33Å; F364-H431 AromaticContact CZ-CG 3.76Å; F364-L433 HydrophobicContact CD2-CD2 3.64Å; F364-L433 HydrophobicContact CD2-CG 3.88Å; F364-L433 HydrophobicContact CE2-CD2 4.33Å; F364-L433 HydrophobicContact CE2-CG 4.18Å; F364-V457 HydrophobicContact CZ-CG2 3.85Å
365D86.6Confident82.3Confident0 Ų065.9 Ų65.90%032%0.32CS..SBendtrans49.137.8-179.3-62-33.5000114.7D367 V368 R371 H431 S432D365-D367 PolarHBondContact O-N 3.07Å; D365-V368 HydrophobicContact CB-CB 4.07Å; D365-V368 HydrophobicContact CB-CG2 3.71Å; D365-V368 WeakPolarHBondContact O-CG2 3.35Å; D365-R371 VanDerWaalsContact C-CZ 3.49Å; D365-R371 VanDerWaalsContact CB-CZ 3.49Å; D365-R371 VanDerWaalsContact CB-NH2 3.3Å; D365-R371 WeakPolarHBondContact O-CD 3.41Å; D365-R371 PolarHBondContact O-NE 3.23Å; D365-R371 PolarHBondContact O-NH1 3.46Å; D365-R371 PolarHBondContact O-NH2 3.39Å; D365-H431 VanDerWaalsContact OD1-CA 3.24Å; D365-H431 WeakPolarHBondContact OD1-CA 3.26Å; D365-H431 VanDerWaalsContact OD1-CB 3.27Å; D365-H431 WeakPolarHBondContact OD1-CB 3.44Å; D365-H431 IonicContact OD1-CG 3.85Å; D365-H431 IonicContact OD1-ND1 2.69Å; D365-H431 IonicContact OD2-CE1 3.71Å; D365-H431 IonicContact OD2-CG 2.63Å; D365-H431 IonicContact OD2-ND1 3.88Å; D365-H431 PolarHBondContact OD2-ND1 3.3Å; D365-S432 PolarHBondContact N-O 3.46Å; D365-S432 PolarHBondContact OD1-N 3.19Å
366K83.8Confident81.6Confident50 Ų5066.7 Ų66.722%0.21734%0.336CS..THydrogen-bonded Turntrans-64.1135.8172.4-170.4-145.5173.4-171.20109.5L363 F364 V368 E436 E449L363-K366 HydrophobicContact CB-CB 4.08Å; L363-K366 HydrophobicContact CD1-CB 4.32Å; L363-K366 HydrophobicContact CD1-CD 3.85Å; L363-K366 HydrophobicContact CD1-CG 4.09Å; F364-K366 VanDerWaalsContact C-N 3.25Å; F364-K366 PolarHBondContact O-N 2.71Å; K366-V368 PolarHBondContact O-N 3.06Å; K366-E436 WeakPolarHBondContact CD-OE1 2.94Å; K366-E436 WeakPolarHBondContact CE-OE1 3.07Å; K366-E436 IonicContact NZ-OE1 3.8Å; K366-E436 PolarHBondContact NZ-OE1 3.47Å; K366-E449 IonicContact NZ-OE2 2.7Å; K366-E449 PolarHBondContact NZ-OE2 3.15Å
367D78.9Confident81.3Confident108 Ų10860.6 Ų60.658%0.57831%0.313SS*.THydrogen-bonded Turntrans56.229.3178.8-50.2-36.6000114.7D365D365-D367 PolarHBondContact O-N 3.07Å
368V77.7Confident81.2Confident11 Ų1157.7 Ų57.77%0.06730%0.295CS..  trans-86.3112.3176172.10000110D365 K366 E370 R371 F377 L484D365-V368 HydrophobicContact CB-CB 4.07Å; D365-V368 HydrophobicContact CB-CG2 3.71Å; D365-V368 WeakPolarHBondContact O-CG2 3.35Å; K366-V368 PolarHBondContact O-N 3.06Å; V368-E370 VanDerWaalsContact C-N 3.26Å; V368-E370 HydrophobicContact CG1-CB 3.82Å; V368-E370 WeakPolarHBondContact CG1-OE2 3.42Å; V368-E370 PolarHBondContact O-N 3.05Å; V368-R371 HydrophobicContact CB-CG 4.06Å; V368-R371 HydrophobicContact CG1-CG 4.07Å; V368-R371 VanDerWaalsContact O-CB 3.32Å; V368-R371 WeakPolarHBondContact O-CB 3.45Å; V368-R371 PolarHBondContact O-N 3.5Å; V368-F377 HydrophobicContact CG1-CE1 4.38Å; V368-F377 HydrophobicContact CG1-CZ 4.22Å; V368-L484 HydrophobicContact CB-CD1 4.25Å; V368-L484 HydrophobicContact CG1-CD1 3.66Å; V368-L484 HydrophobicContact CG2-CD1 3.51Å
369N74.4Confident80.9Confident119 Ų11960.7 Ų60.764%0.63631%0.308SS*.THydrogen-bonded Turntrans-61.8-36179.5-67.6-34.6000111.7R371 N372 T373N369-R371 PolarHBondContact O-N 2.95Å; N369-R371 VanDerWaalsContact O-N 3.09Å; N369-N372 PolarHBondContact O-N 2.93Å; N369-T373 PolarHBondContact O-N 2.88Å; N369-T373 PolarHBondContact O-OG1 3.19Å; N369-T373 VanDerWaalsContact O-OG1 3.1Å
370E69.8Low80.7Confident25 Ų2555.2 Ų55.212%0.11728%0.284CS..Hα-helixtrans-57.5-24.3-179.8-66.586.7159.100112.8V368 N372 T373 V374 F377 L484 S485V368-E370 VanDerWaalsContact C-N 3.26Å; V368-E370 HydrophobicContact CG1-CB 3.82Å; V368-E370 WeakPolarHBondContact CG1-OE2 3.42Å; V368-E370 PolarHBondContact O-N 3.05Å; E370-N372 PolarHBondContact O-N 3.01Å; E370-N372 VanDerWaalsContact O-N 3.12Å; E370-T373 VanDerWaalsContact CA-OG1 3.3Å; E370-T373 WeakPolarHBondContact CA-OG1 3.48Å; E370-T373 PolarHBondContact N-OG1 2.99Å; E370-V374 HydrophobicContact CB-CB 4.24Å; E370-V374 HydrophobicContact CB-CG2 3.76Å; E370-V374 HydrophobicContact CG-CG2 3.71Å; E370-V374 WeakPolarHBondContact O-CB 3.4Å; E370-V374 PolarHBondContact O-N 2.61Å; E370-F377 HydrophobicContact CB-CD2 3.97Å; E370-F377 HydrophobicContact CB-CE2 3.99Å; E370-F377 HydrophobicContact CB-CG 4.44Å; E370-F377 HydrophobicContact CB-CZ 4.46Å; E370-F377 WeakPolarHBondContact O-CB 3.33Å; E370-L484 WeakPolarHBondContact OE1-CB 3.42Å; E370-S485 PolarHBondContact OE1-N 2.78Å; E370-S485 VanDerWaalsContact OE1-N 3.14Å
371R64.4Low80.4Confident79 Ų7958.9 Ų58.930%0.29830%0.304SS..Hα-helixtrans-58.6-24172.8-73177.8153.6-173.8-1.9113.9F364 D365 V368 N369 F377 K379F364-R371 PolarHBondContact O-NH2 3.07Å; D365-R371 VanDerWaalsContact C-CZ 3.49Å; D365-R371 VanDerWaalsContact CB-CZ 3.49Å; D365-R371 VanDerWaalsContact CB-NH2 3.3Å; D365-R371 WeakPolarHBondContact O-CD 3.41Å; D365-R371 PolarHBondContact O-NE 3.23Å; D365-R371 PolarHBondContact O-NH1 3.46Å; D365-R371 PolarHBondContact O-NH2 3.39Å; V368-R371 HydrophobicContact CB-CG 4.06Å; V368-R371 HydrophobicContact CG1-CG 4.07Å; V368-R371 VanDerWaalsContact O-CB 3.32Å; V368-R371 WeakPolarHBondContact O-CB 3.45Å; V368-R371 PolarHBondContact O-N 3.5Å; N369-R371 PolarHBondContact O-N 2.95Å; N369-R371 VanDerWaalsContact O-N 3.09Å; R371-F377 HydrophobicContact CG-CD1 4.15Å; R371-F377 HydrophobicContact CG-CE1 4.08Å; R371-K379 PolarHBondContact O-NZ 3.49Å
372N69.4Low80.2Confident144 Ų14454.3 Ų54.377%0.7728%0.284SS*.Hα-helixtrans-119-30.9-178.2-61-29.7000112N369 E370N369-N372 PolarHBondContact O-N 2.93Å; E370-N372 PolarHBondContact O-N 3.01Å; E370-N372 VanDerWaalsContact O-N 3.12Å
373T69.1Low79.9Confident105 Ų10557.5 Ų57.564%0.64430%0.301SS*.Hα-helixtrans-89.8-32.8-17658.60000113.9N369 E370N369-T373 PolarHBondContact O-N 2.88Å; N369-T373 PolarHBondContact O-OG1 3.19Å; N369-T373 VanDerWaalsContact O-OG1 3.1Å; E370-T373 VanDerWaalsContact CA-OG1 3.3Å; E370-T373 WeakPolarHBondContact CA-OG1 3.48Å; E370-T373 PolarHBondContact N-OG1 2.99Å
374V69.5Low79.8Confident24 Ų2457.1 Ų57.115%0.14531%0.311CS..SBendtrans-92.6112.2-179.2178.80000109.4E370 G376 F377E370-V374 HydrophobicContact CB-CB 4.24Å; E370-V374 HydrophobicContact CB-CG2 3.76Å; E370-V374 HydrophobicContact CG-CG2 3.71Å; E370-V374 WeakPolarHBondContact O-CB 3.4Å; E370-V374 PolarHBondContact O-N 2.61Å; V374-G376 PolarHBondContact O-N 2.88Å; V374-F377 HydrophobicContact CB-CB 4.23Å; V374-F377 HydrophobicContact CG1-CB 4.4Å; V374-F377 WeakPolarHBondContact O-CB 3.45Å; V374-F377 PolarHBondContact O-N 2.82Å
375K67.3Low79.7Confident136 Ų13660 Ų6059%0.59133%0.33SS*.THydrogen-bonded Turntrans-59.5124.1176.4-166.9-171.9-175.8-166.80109.5E421 G422K375-E421 IonicContact NZ-OE2 3.59Å; K375-E421 PolarHBondContact NZ-OE2 3.37Å; K375-G422 WeakPolarHBondContact O-CA 3.34Å
376G71.9Confident79.9Confident51 Ų5163.9 Ų63.953%0.52635%0.348SS..THydrogen-bonded Turntrans84.69.1177.300000115.9V374 R378V374-G376 PolarHBondContact O-N 2.88Å; G376-R378 PolarHBondContact O-N 2.84Å
377F81.1Confident80.3Confident23 Ų2364.1 Ų64.110%0.10135%0.353CS..  trans-58.7121.5173.4-168.1-93.8000111V368 E370 R371 V374 E429 H431V368-F377 HydrophobicContact CG1-CE1 4.38Å; V368-F377 HydrophobicContact CG1-CZ 4.22Å; E370-F377 HydrophobicContact CB-CD2 3.97Å; E370-F377 HydrophobicContact CB-CE2 3.99Å; E370-F377 HydrophobicContact CB-CG 4.44Å; E370-F377 HydrophobicContact CB-CZ 4.46Å; E370-F377 WeakPolarHBondContact O-CB 3.33Å; R371-F377 HydrophobicContact CG-CD1 4.15Å; R371-F377 HydrophobicContact CG-CE1 4.08Å; V374-F377 HydrophobicContact CB-CB 4.23Å; V374-F377 HydrophobicContact CG1-CB 4.4Å; V374-F377 WeakPolarHBondContact O-CB 3.45Å; V374-F377 PolarHBondContact O-N 2.82Å; F377-E429 WeakPolarHBondContact CA-OE1 3.38Å; F377-E429 HydrophobicContact CD2-CG 3.81Å; F377-E429 WeakPolarHBondContact CD2-OE1 3.5Å; F377-E429 HydrophobicContact CE2-CG 3.62Å; F377-E429 WeakPolarHBondContact CE2-OE1 3.38Å; F377-E429 WeakPolarHBondContact CG-OE1 3.26Å; F377-E429 HydrophobicContact CZ-CG 4.43Å; F377-H431 AromaticContact CE1-CE1 3.61Å; F377-H431 AromaticContact CE1-ND1 3.69Å; F377-H431 AromaticContact CE2-CE1 3.99Å; F377-H431 AromaticContact CZ-CE1 3.37Å; F377-H431 WeakPolarHBondContact CZ-CE1 3.4Å; F377-H431 AromaticContact CZ-ND1 3.39Å; F377-H431 WeakPolarHBondContact CZ-ND1 3.39Å
378R85.1Confident81Confident35 Ų3563.3 Ų63.313%0.13235%0.345CS..  trans-72.5146.8-178.3-69.1178.6-66.4151.47.4109.8G376 F380 V426 E429 H431 V457G376-R378 PolarHBondContact O-N 2.84Å; R378-F380 HydrophobicContact CB-CE2 3.59Å; R378-F380 HydrophobicContact CB-CZ 3.82Å; R378-V426 PolarHBondContact NH2-O 3.39Å; R378-E429 IonicContact CZ-OE2 2.61Å; R378-E429 PolarHBondContact N-OE1 2.72Å; R378-E429 IonicContact NE-OE2 3.74Å; R378-E429 PolarHBondContact NE-OE2 2.77Å; R378-E429 IonicContact NH2-OE2 2.74Å; R378-E429 PolarHBondContact NH2-OE2 2.85Å; R378-H431 PolarHBondContact O-CE1 3.3Å; R378-V457 PolarHBondContact NH1-O 3.04Å; R378-V457 PolarHBondContact NH2-O 3.43Å
379K84.9Confident81.8Confident63 Ų6365.2 Ų65.227%0.27436%0.357SS..  trans-116.5135.6179.7-61.5-176-176.6-175.30108.8R371 Q412R371-K379 PolarHBondContact O-NZ 3.49Å; K379-Q412 HydrophobicContact CB-CB 4.29Å; K379-Q412 WeakPolarHBondContact O-CB 3.32Å; K379-Q412 PolarHBondContact O-N 2.84Å
380F89.3Confident82.6Confident3 Ų359.6 Ų59.61%0.01333%0.326CS..EExtended strand (participates in β ladder)trans-126.3141.9179.8-58.2-89.8000110.1T337 F364 R378 L409 K410 E411 H431 V457T337-F380 HydrophobicContact CG2-CD1 4.15Å; T337-F380 HydrophobicContact CG2-CE1 3.73Å; F364-F380 HydrophobicContact CD1-CB 3.87Å; F364-F380 HydrophobicContact CE1-CB 3.67Å; F364-F380 AromaticContact CE1-CD2 3.84Å; F364-F380 HydrophobicContact CE1-CD2 3.84Å; F364-F380 HydrophobicContact CE1-CG 4.14Å; F364-F380 HydrophobicContact CZ-CB 4.43Å; F364-F380 HydrophobicContact CZ-CD2 4.5Å; R378-F380 HydrophobicContact CB-CE2 3.59Å; R378-F380 HydrophobicContact CB-CZ 3.82Å; F380-L409 HydrophobicContact CB-CD2 4.43Å; F380-K410 WeakPolarHBondContact CA-O 3.41Å; F380-E411 HydrophobicContact CD1-CB 3.95Å; F380-E411 HydrophobicContact CD1-CG 4.37Å; F380-E411 HydrophobicContact CE1-CB 3.75Å; F380-E411 HydrophobicContact CE1-CG 3.91Å; F380-E411 HydrophobicContact CZ-CG 4.49Å; F380-H431 AromaticContact CD2-CE1 3.85Å; F380-H431 AromaticContact CE2-CE1 3.65Å; F380-H431 AromaticContact CE2-NE2 3.55Å; F380-V457 HydrophobicContact CD1-CG1 3.92Å; F380-V457 HydrophobicContact CD2-CB 4.5Å; F380-V457 HydrophobicContact CD2-CG1 4.43Å; F380-V457 HydrophobicContact CD2-CG2 4.38Å; F380-V457 HydrophobicContact CE1-CB 4.35Å; F380-V457 HydrophobicContact CE1-CG1 3.54Å; F380-V457 HydrophobicContact CE2-CB 4.01Å; F380-V457 HydrophobicContact CE2-CG1 4.08Å; F380-V457 HydrophobicContact CE2-CG2 4.32Å; F380-V457 HydrophobicContact CG-CG1 4.37Å; F380-V457 HydrophobicContact CZ-CB 3.94Å; F380-V457 HydrophobicContact CZ-CG1 3.62Å
381N88.9Confident83.6Confident77 Ų7760.5 Ų60.541%0.41233%0.332SS..EExtended strand (participates in β ladder)trans-103.8138.7171.7-68.4-40.1000109.3K410 Q412N381-K410 PolarHBondContact N-O 2.95Å; N381-K410 PolarHBondContact O-N 2.88Å; N381-Q412 PolarHBondContact ND2-OE1 3.48Å
382I91.8Very high84.7Confident11 Ų1158.7 Ų58.76%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-71.8141.4167.9-62.8174.3000107.9V362 F364 H386 L407 Q408 L409 L433V362-I382 HydrophobicContact CB-CD1 4.16Å; V362-I382 HydrophobicContact CG1-CD1 3.55Å; F364-I382 HydrophobicContact CB-CD1 3.86Å; F364-I382 HydrophobicContact CB-CG1 3.83Å; F364-I382 HydrophobicContact CG-CG1 4.48Å; I382-H386 PolarHBondContact O-CE1 3.17Å; I382-H386 PolarHBondContact O-NE2 3.41Å; I382-L407 HydrophobicContact CG2-CD2 3.8Å; I382-Q408 CarbonylContact C-O 3.53Å; I382-Q408 WeakPolarHBondContact CA-O 3.37Å; I382-L409 HydrophobicContact CG1-CD2 4Å; I382-L433 HydrophobicContact CD1-CD2 3.72Å
383L90.1Very high85.3Confident72 Ų7254.2 Ų54.238%0.37730%0.302SS..EExtended strand (participates in β ladder)trans-121.9151.4166.7-63.1174.1000108.4Q408 K410L383-Q408 HydrophobicContact CB-CB 4.23Å; L383-Q408 PolarHBondContact N-O 2.98Å; L383-Q408 PolarHBondContact O-N 3.15Å; L383-K410 HydrophobicContact CD1-CB 3.69Å; L383-K410 HydrophobicContact CD1-CD 3.91Å; L383-K410 HydrophobicContact CD1-CG 4.43Å; L383-K410 HydrophobicContact CG-CB 4.24Å
384G90Very high85.2Confident51 Ų5159.2 Ų59.253%0.52632%0.318SS..EExtended strand (participates in β ladder)trans106.8-141.6178.900000112.6H386 H406G384-H386 PolarHBondContact O-CD2 3.26Å; G384-H386 PolarHBondContact O-N 3.33Å; G384-H406 WeakPolarHBondContact CA-O 3.36Å
385T90.6Very high84.9Confident73 Ų7360.8 Ų60.845%0.44833%0.33SS..  trans-89.195.8-175.3-54.10000111.1T387 F404 L407T385-T387 VanDerWaalsContact C-N 3.28Å; T385-T387 WeakPolarHBondContact CG2-O 3.46Å; T385-T387 PolarHBondContact O-N 2.84Å; T385-F404 WeakPolarHBondContact O-CD1 3.39Å; T385-L407 WeakPolarHBondContact O-CD2 3.34Å
386H90.1Very high84.7Confident82 Ų8261.2 Ų61.238%0.3834%0.344SS..  trans-73.4-16.7-178.1-61.6-107.3000114.2K361 V362 I382 G384K361-H386 CarbonylContact C-O 3.51Å; K361-H386 WeakPolarHBondContact CA-O 3.24Å; V362-H386 PolarHBondContact N-O 3.47Å; I382-H386 PolarHBondContact O-CE1 3.17Å; I382-H386 PolarHBondContact O-NE2 3.41Å; G384-H386 PolarHBondContact O-CD2 3.26Å; G384-H386 PolarHBondContact O-N 3.33Å
387T92.8Very high84.5Confident54 Ų5463.1 Ų63.133%0.33134%0.343SS..EExtended strand (participates in β ladder)trans-131.5135.1-178.870.50000111.9K359 V360 K361 T385K359-T387 WeakPolarHBondContact CE-OG1 3.38Å; V360-T387 CarbonylContact O-C 3.6Å; V360-T387 WeakPolarHBondContact O-CA 3.36Å; K361-T387 HydrophobicContact CB-CG2 4.34Å; K361-T387 HydrophobicContact CG-CG2 3.82Å; T385-T387 VanDerWaalsContact C-N 3.28Å; T385-T387 WeakPolarHBondContact CG2-O 3.46Å; T385-T387 PolarHBondContact O-N 2.84Å
388K93.6Very high84.4Confident91 Ų9162.5 Ų62.540%0.39634%0.343SS..EExtended strand (participates in β ladder)trans-137.9138.9177.6-168.469.3172.4177.80109.5V360 A402 F404V360-K388 WeakPolarHBondContact CA-O 3.36Å; V360-K388 WeakPolarHBondContact CB-O 3.46Å; V360-K388 PolarHBondContact N-O 2.92Å; V360-K388 PolarHBondContact O-N 3.39Å; K388-A402 HydrophobicContact CB-CB 4.36Å; K388-A402 HydrophobicContact CG-CB 4.13Å; K388-F404 HydrophobicContact CB-CD1 4Å; K388-F404 HydrophobicContact CB-CE1 3.39Å; K388-F404 HydrophobicContact CB-CE2 3.99Å; K388-F404 HydrophobicContact CB-CZ 3.4Å; K388-F404 VanDerWaalsContact CB-CZ 3.4Å
389V93.6Very high84.6Confident52 Ų5261 Ų6132%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-86.1136.1175.7-179.80000108.5Y356 L358 K359Y356-V389 HydrophobicContact CD1-CG1 4.04Å; Y356-V389 WeakPolarHBondContact O-CG1 3.07Å; L358-V389 WeakPolarHBondContact O-CA 3.43Å; K359-V389 HydrophobicContact CB-CG2 4.38Å; K359-V389 HydrophobicContact CG-CG2 4.23Å
390M91.7Very high85Confident0 Ų058 Ų580%032%0.324CS..  trans-71.2134.5172.1-67.4-170.4174.900110.8F317 L345 L347 Y356 L358 V360 L400 A401 A402F317-M390 HydrophobicContact CD2-CE 3.54Å; F317-M390 HydrophobicContact CE2-CE 3.16Å; F317-M390 HydrophobicContact CZ-CE 4.18Å; L345-M390 HydrophobicContact CB-CE 4.49Å; L347-M390 HydrophobicContact CB-SD 4.09Å; Y356-M390 PolarHBondContact N-O 3.49Å; L358-M390 HydrophobicContact CB-CB 4.24Å; L358-M390 HydrophobicContact CB-CG 4.21Å; L358-M390 HydrophobicContact CB-SD 4.16Å; L358-M390 HydrophobicContact CD1-SD 3.87Å; L358-M390 PolarHBondContact O-N 3.22Å; V360-M390 HydrophobicContact CG2-CE 3.59Å; V360-M390 HydrophobicContact CG2-CG 3.79Å; V360-M390 HydrophobicContact CG2-SD 4.41Å; M390-L400 HydrophobicContact CB-CD1 3.87Å; M390-L400 HydrophobicContact CB-CG 4.12Å; M390-L400 HydrophobicContact SD-CG 4.29Å; M390-A401 VanDerWaalsContact CA-O 3.3Å; M390-A401 WeakPolarHBondContact CA-O 3.4Å; M390-A402 HydrophobicContact CG-CB 3.8Å
391N90.4Very high85.2Confident45 Ų4557.8 Ų57.824%0.24132%0.323CS..EExtended strand (participates in β ladder)trans-133.2158.4179.464.4-62.7000110.8Y356 E393 A401Y356-N391 HydrophobicContact CD1-CB 4.35Å; Y356-N391 HydrophobicContact CE1-CB 3.72Å; N391-E393 PolarHBondContact O-N 3.3Å; N391-A401 PolarHBondContact N-O 2.87Å; N391-A401 PolarHBondContact O-N 3.26Å; N391-A401 VanDerWaalsContact O-N 3.09Å; N391-A401 PolarHBondContact OD1-O 3.45Å
392M88.1Confident85.4Confident40 Ų4054.1 Ų54.120%0.19730%0.304CS..EExtended strand (participates in β ladder)trans-71.3120.1169.1-69.7-66.5-175.600109.8K350 N355 S399 L400K350-M392 HydrophobicContact CD-CE 4.38Å; K350-M392 HydrophobicContact CD-SD 4.4Å; K350-M392 HydrophobicContact CG-CE 3.54Å; K350-M392 HydrophobicContact CG-SD 3.96Å; N355-M392 HydrophobicContact CB-CG 4.5Å; N355-M392 PolarHBondContact OD1-N 3.05Å; M392-S399 CarbonylContact C-O 3.58Å; M392-S399 WeakPolarHBondContact CA-O 3.33Å; M392-L400 HydrophobicContact CE-CB 4.38Å; M392-L400 HydrophobicContact SD-CB 4.16Å
393E82.1Confident85.6Confident51 Ų5155 Ų5524%0.23831%0.308CS..EExtended strand (participates in β ladder)trans-92.9138.9170.5-64.9179.7175.900110.1K344 N391 S395 G398 S399K344-E393 WeakPolarHBondContact CE-OE1 3.4Å; K344-E393 WeakPolarHBondContact CE-OE2 3.49Å; K344-E393 IonicContact NZ-OE1 3.67Å; K344-E393 IonicContact NZ-OE2 3.87Å; K344-E393 PolarHBondContact NZ-OE2 3.17Å; N391-E393 PolarHBondContact O-N 3.3Å; E393-S395 VanDerWaalsContact C-N 3.33Å; E393-S395 PolarHBondContact O-N 3.29Å; E393-G398 VanDerWaalsContact O-CA 3.25Å; E393-G398 WeakPolarHBondContact O-CA 3.22Å; E393-S399 PolarHBondContact N-O 3.18Å; E393-S399 PolarHBondContact O-N 3.33Å
394E65.4Low85.9Confident209 Ų20951.9 Ų51.998%0.97729%0.291SS*.  trans-74.680.9174.6-70.6178.7-179.100110.6
395S63.6Low85.9Confident57 Ų5756.7 Ų56.740%0.39929%0.293SS..SBendtrans-103.5171.5160.859.80000109.9E393 N397 G398E393-S395 VanDerWaalsContact C-N 3.33Å; E393-S395 PolarHBondContact O-N 3.29Å; S395-N397 PolarHBondContact O-N 3.02Å; S395-G398 PolarHBondContact O-N 2.67Å; S395-G398 VanDerWaalsContact OG-CA 3.26Å; S395-G398 WeakPolarHBondContact OG-CA 3.35Å; S395-G398 PolarHBondContact OG-N 3.07Å; S395-G398 VanDerWaalsContact OG-N 3.12Å
396T62.7Low86Confident145 Ų14558.4 Ų58.489%0.8930%0.296SS*.THydrogen-bonded Turntrans-48.5-36.1-179.6-42.90000113.2
397N68.8Low86.2Confident92 Ų9254.6 Ų54.649%0.49228%0.278SS..THydrogen-bonded Turntrans-110.5-2.1176.2-67.4-24.5000113.8K350 S395K350-N397 PolarHBondContact NZ-O 2.99Å; S395-N397 PolarHBondContact O-N 3.02Å
398G79Confident86.3Confident10 Ų1054.7 Ų54.710%0.10328%0.275CS..  trans60.9145-170.700000114.3Q260 E393 S395Q260-G398 PolarHBondContact NE2-O 3.09Å; Q260-G398 VanDerWaalsContact NE2-O 3.11Å; E393-G398 VanDerWaalsContact O-CA 3.25Å; E393-G398 WeakPolarHBondContact O-CA 3.22Å; S395-G398 PolarHBondContact O-N 2.67Å; S395-G398 VanDerWaalsContact OG-CA 3.26Å; S395-G398 WeakPolarHBondContact OG-CA 3.35Å; S395-G398 PolarHBondContact OG-N 3.07Å; S395-G398 VanDerWaalsContact OG-N 3.12Å
399S88.9Confident86.3Confident2 Ų250.4 Ų50.41%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-137.4142.417869.60000112.8M392 E393 A401M392-S399 CarbonylContact C-O 3.58Å; M392-S399 WeakPolarHBondContact CA-O 3.33Å; E393-S399 PolarHBondContact N-O 3.18Å; E393-S399 PolarHBondContact O-N 3.33Å; S399-A401 PolarHBondContact O-N 3.44Å
400L92.7Very high86.2Confident0 Ų054.3 Ų54.30%027%0.269CS..EExtended strand (participates in β ladder)trans-88.7100.9172.5-17562.6000108.3L347 L354 L358 M390 M392L347-L400 HydrophobicContact CB-CD2 4.2Å; L347-L400 HydrophobicContact CB-CG 4.43Å; L347-L400 HydrophobicContact CD2-CD2 3.85Å; L347-L400 PolarHBondContact N-O 2.98Å; L354-L400 HydrophobicContact CB-CD2 3.77Å; L354-L400 HydrophobicContact CD1-CD2 4.43Å; L358-L400 HydrophobicContact CD1-CD2 4.31Å; M390-L400 HydrophobicContact CB-CD1 3.87Å; M390-L400 HydrophobicContact CB-CG 4.12Å; M390-L400 HydrophobicContact SD-CG 4.29Å; M392-L400 HydrophobicContact CE-CB 4.38Å; M392-L400 HydrophobicContact SD-CB 4.16Å
401A93.6Very high86.1Confident0 Ų057.4 Ų57.40%028%0.283CS..EExtended strand (participates in β ladder)trans-137.4160.4-170.700000112.1L345 M390 N391 S399L345-A401 CarbonylContact O-C 3.44Å; L345-A401 WeakPolarHBondContact O-CA 3.3Å; L345-A401 WeakPolarHBondContact O-CB 3.48Å; M390-A401 VanDerWaalsContact CA-O 3.3Å; M390-A401 WeakPolarHBondContact CA-O 3.4Å; N391-A401 PolarHBondContact N-O 2.87Å; N391-A401 PolarHBondContact O-N 3.26Å; N391-A401 VanDerWaalsContact O-N 3.09Å; N391-A401 PolarHBondContact OD1-O 3.45Å; S399-A401 PolarHBondContact O-N 3.44Å
402A94.5Very high85.8Confident0 Ų059.4 Ų59.40%029%0.292CS..EExtended strand (participates in β ladder)trans-132114.317000000109.4L345 V360 K388 M390 F404L345-A402 PolarHBondContact N-O 3.37Å; L345-A402 PolarHBondContact O-N 3.28Å; V360-A402 HydrophobicContact CG2-CB 4.29Å; K388-A402 HydrophobicContact CB-CB 4.36Å; K388-A402 HydrophobicContact CG-CB 4.13Å; M390-A402 HydrophobicContact CG-CB 3.8Å; A402-F404 HydrophobicContact CB-CE2 4.35Å
403E95.1Very high85.2Confident30 Ų3065.6 Ų65.614%0.1432%0.317CS..EExtended strand (participates in β ladder)trans-99.3123.6175.5-166.9179-143.900111.3R321 K344 R405R321-E403 IonicContact NH1-OE1 3.62Å; R321-E403 PolarHBondContact NH1-OE1 2.94Å; K344-E403 HydrophobicContact CB-CG 4.3Å; K344-E403 HydrophobicContact CG-CB 4.12Å; K344-E403 HydrophobicContact CG-CG 4.3Å; E403-R405 HydrophobicContact CG-CG 4.03Å; E403-R405 IonicContact OE2-CZ 3.19Å; E403-R405 IonicContact OE2-NE 2.7Å; E403-R405 PolarHBondContact OE2-NE 2.9Å; E403-R405 IonicContact OE2-NH2 2.8Å; E403-R405 PolarHBondContact OE2-NH2 3.03Å
404F95.6Very high84.3Confident5 Ų568.3 Ų68.32%0.02233%0.333CS..EExtended strand (participates in β ladder)trans-99.2112.2171.7-65.5-93.8000108.5T342 V343 L345 V360 V362 T385 K388 A402 L407T342-F404 CarbonylContact C-O 3.51Å; T342-F404 WeakPolarHBondContact CA-O 3.32Å; T342-F404 WeakPolarHBondContact CB-O 3.28Å; V343-F404 PolarHBondContact N-O 3.18Å; V343-F404 PolarHBondContact O-N 2.82Å; L345-F404 HydrophobicContact CD1-CE2 3.82Å; V360-F404 HydrophobicContact CB-CE2 4.49Å; V360-F404 HydrophobicContact CB-CZ 4.17Å; V360-F404 HydrophobicContact CG1-CE2 4.33Å; V360-F404 HydrophobicContact CG1-CZ 4.2Å; V362-F404 HydrophobicContact CG2-CD1 3.57Å; V362-F404 HydrophobicContact CG2-CD2 4.11Å; V362-F404 HydrophobicContact CG2-CE1 3.21Å; V362-F404 HydrophobicContact CG2-CE2 3.8Å; V362-F404 HydrophobicContact CG2-CG 4Å; V362-F404 HydrophobicContact CG2-CZ 3.33Å; T385-F404 WeakPolarHBondContact O-CD1 3.39Å; K388-F404 HydrophobicContact CB-CD1 4Å; K388-F404 HydrophobicContact CB-CE1 3.39Å; K388-F404 HydrophobicContact CB-CE2 3.99Å; K388-F404 HydrophobicContact CB-CZ 3.4Å; K388-F404 VanDerWaalsContact CB-CZ 3.4Å; A402-F404 HydrophobicContact CB-CE2 4.35Å; F404-L407 HydrophobicContact CB-CD1 3.63Å; F404-L407 HydrophobicContact CB-CD2 4.41Å; F404-L407 HydrophobicContact CB-CG 3.88Å; F404-L407 HydrophobicContact CD1-CD2 4.26Å; F404-L407 HydrophobicContact CG-CD1 4.22Å
405R91.7Very high83.1Confident152 Ų15263.6 Ų63.657%0.57433%0.331SS*.EExtended strand (participates in β ladder)trans-101.7-28.3-178-62-176.6-168.6168.43.9114.9T342 E403T342-R405 HydrophobicContact CG2-CB 4.37Å; E403-R405 HydrophobicContact CG-CG 4.03Å; E403-R405 IonicContact OE2-CZ 3.19Å; E403-R405 IonicContact OE2-NE 2.7Å; E403-R405 PolarHBondContact OE2-NE 2.9Å; E403-R405 IonicContact OE2-NH2 2.8Å; E403-R405 PolarHBondContact OE2-NH2 3.03Å
406H91.8Very high82.3Confident110 Ų11064.7 Ų64.751%0.50935%0.351SS..EExtended strand (participates in β ladder)trans-112.446.4-170.1-55.7-58.5000111.4Q340 G384Q340-H406 PolarHBondContact OE1-ND1 3.35Å; G384-H406 WeakPolarHBondContact CA-O 3.36Å
407L94.9Very high81.4Confident1 Ų162.8 Ų62.81%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-90.3139.3172.9-61.8177.1000109.7Q340 F341 V343 V362 I382 T385 F404Q340-L407 CarbonylContact C-O 3.46Å; Q340-L407 VanDerWaalsContact CA-O 3.29Å; Q340-L407 WeakPolarHBondContact CA-O 3.37Å; F341-L407 HydrophobicContact CD1-CB 3.98Å; F341-L407 WeakPolarHBondContact CD1-O 3.28Å; F341-L407 HydrophobicContact CD2-CB 4.19Å; F341-L407 HydrophobicContact CD2-CD1 4.46Å; F341-L407 HydrophobicContact CE1-CB 3.5Å; F341-L407 VanDerWaalsContact CE1-CB 3.5Å; F341-L407 HydrophobicContact CE2-CB 3.75Å; F341-L407 HydrophobicContact CE2-CD1 3.68Å; F341-L407 HydrophobicContact CE2-CG 4.38Å; F341-L407 HydrophobicContact CG-CB 4.31Å; F341-L407 HydrophobicContact CZ-CB 3.38Å; F341-L407 HydrophobicContact CZ-CD1 3.89Å; F341-L407 HydrophobicContact CZ-CG 4.28Å; F341-L407 PolarHBondContact N-O 3.41Å; F341-L407 PolarHBondContact O-N 3.46Å; V343-L407 HydrophobicContact CG2-CD1 4.22Å; V362-L407 HydrophobicContact CG1-CD1 4.47Å; I382-L407 HydrophobicContact CG2-CD2 3.8Å; T385-L407 WeakPolarHBondContact O-CD2 3.34Å; F404-L407 HydrophobicContact CB-CD1 3.63Å; F404-L407 HydrophobicContact CB-CD2 4.41Å; F404-L407 HydrophobicContact CB-CG 3.88Å; F404-L407 HydrophobicContact CD1-CD2 4.26Å; F404-L407 HydrophobicContact CG-CD1 4.22Å
408Q94Very high80.3Confident56 Ų5670.5 Ų70.526%0.26236%0.361SS..EExtended strand (participates in β ladder)trans-136.1150.7173.1-69.1-177.1-29.100109.8G338 Q340 I382 L383G338-Q408 PolarHBondContact O-NE2 3.18Å; Q340-Q408 HydrophobicContact CB-CG 4.33Å; Q340-Q408 HydrophobicContact CG-CG 3.65Å; I382-Q408 CarbonylContact C-O 3.53Å; I382-Q408 WeakPolarHBondContact CA-O 3.37Å; L383-Q408 HydrophobicContact CB-CB 4.23Å; L383-Q408 PolarHBondContact N-O 2.98Å; L383-Q408 PolarHBondContact O-N 3.15Å
409L93.9Very high78.7Confident1 Ų172.9 Ų72.91%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-106.3134.5173.1-64.7177.4000110.8L335 T337 G338 F341 F364 F380 I382 V457L335-L409 HydrophobicContact CB-CD1 4.09Å; L335-L409 HydrophobicContact CD1-CD1 3.86Å; T337-L409 WeakPolarHBondContact CA-O 3.17Å; G338-L409 PolarHBondContact N-O 3.05Å; F341-L409 HydrophobicContact CE1-CD2 4.32Å; F341-L409 HydrophobicContact CE1-CG 3.87Å; F341-L409 HydrophobicContact CZ-CD2 4.49Å; F341-L409 HydrophobicContact CZ-CG 4.41Å; F364-L409 HydrophobicContact CD2-CD2 3.77Å; F364-L409 HydrophobicContact CE2-CD1 3.8Å; F364-L409 HydrophobicContact CE2-CD2 3.8Å; F364-L409 HydrophobicContact CE2-CG 4.47Å; F364-L409 HydrophobicContact CG-CD2 4.19Å; F364-L409 HydrophobicContact CZ-CD1 3.89Å; F364-L409 HydrophobicContact CZ-CD2 4.24Å; F380-L409 HydrophobicContact CB-CD2 4.43Å; I382-L409 HydrophobicContact CG1-CD2 4Å; L409-V457 HydrophobicContact CD1-CG1 4.18Å; L409-V457 HydrophobicContact CD1-CG2 3.73Å
410K91.8Very high76.7Confident134 Ų13481.4 Ų81.458%0.58342%0.419SS*.EExtended strand (participates in β ladder)trans-124.3128.7170.7-175.8174.4178.8-179.40109.9F380 N381 L383 Q412F380-K410 WeakPolarHBondContact CA-O 3.41Å; N381-K410 PolarHBondContact N-O 2.95Å; N381-K410 PolarHBondContact O-N 2.88Å; L383-K410 HydrophobicContact CD1-CB 3.69Å; L383-K410 HydrophobicContact CD1-CD 3.91Å; L383-K410 HydrophobicContact CD1-CG 4.43Å; L383-K410 HydrophobicContact CG-CB 4.24Å; K410-Q412 PolarHBondContact O-N 2.81Å
411E89.1Confident74.7Confident65 Ų6586.7 Ų86.730%0.30444%0.444SS..EExtended strand (participates in β ladder)trans-65129.9176.8-170.7178.6-144.200110.9F380 K413F380-E411 HydrophobicContact CD1-CB 3.95Å; F380-E411 HydrophobicContact CD1-CG 4.37Å; F380-E411 HydrophobicContact CE1-CB 3.75Å; F380-E411 HydrophobicContact CE1-CG 3.91Å; F380-E411 HydrophobicContact CZ-CG 4.49Å; E411-K413 HydrophobicContact CG-CG 4.42Å; E411-K413 VanDerWaalsContact OE2-CE 3.29Å; E411-K413 WeakPolarHBondContact OE2-CE 3.49Å
412Q84.9Confident73Confident88 Ų8888.2 Ų88.241%0.41146%0.46SS..  trans-89.6101.9172.7-175.6175.8-1.700108.7K379 N381 K410K379-Q412 HydrophobicContact CB-CB 4.29Å; K379-Q412 WeakPolarHBondContact O-CB 3.32Å; K379-Q412 PolarHBondContact O-N 2.84Å; N381-Q412 PolarHBondContact ND2-OE1 3.48Å; K410-Q412 PolarHBondContact O-N 2.81Å
413K76.2Confident71.4Confident169 Ų16992.6 Ų92.674%0.73549%0.489SS*.PPolyproline II helixtrans-83.5117.5176.5-63.9-176.9179.8179.10109.6E411E411-K413 HydrophobicContact CG-CG 4.42Å; E411-K413 VanDerWaalsContact OE2-CE 3.29Å; E411-K413 WeakPolarHBondContact OE2-CE 3.49Å
414N61.3Low70.4Confident108 Ų10892.8 Ų92.858%0.57849%0.49SS*.PPolyproline II helixtrans-78131.9167.3-70.5-8.2000109G416N414-G416 PolarHBondContact O-N 3.22Å
415A40.3Very low69.6Low111 Ų11196.8 Ų96.892%0.91751%0.511SS*.THydrogen-bonded Turntrans-66.4117.4176.100000109.6
416G47.1Very low68.9Low80 Ų8091.9 Ų91.983%0.82550%0.498SS*.THydrogen-bonded Turntrans122.7-14.6165.400000117.8N414N414-G416 PolarHBondContact O-N 3.22Å
417T43.6Very low68.5Low105 Ų10587.2 Ų87.264%0.64448%0.477SS*.  trans-123.978.8-175.1-21.60000111.7T419T417-T419 HydrophobicContact CG2-CG2 4.25Å; T417-T419 PolarHBondContact O-N 2.93Å
418R45.8Very low68.1Low254 Ų25487.3 Ų87.396%0.95848%0.477SS*.  trans-82.188.1157.6-89-175.2166.4179.2-3.3107.7
419T46Very low67.8Low60 Ų6085.3 Ų85.337%0.36847%0.468SS..  trans-129.7109.5166.7520000108.3T417 E421T417-T419 HydrophobicContact CG2-CG2 4.25Å; T417-T419 PolarHBondContact O-N 2.93Å; T419-E421 HydrophobicContact CG2-CG 4.44Å; T419-E421 PolarHBondContact O-N 2.97Å
420N47.1Very low67.7Low181 Ų18185.2 Ų85.297%0.96847%0.468SS*.  trans-64.749.7160.9-76.3-20.6000110.2
421E51Low67.7Low110 Ų11078.9 Ų78.951%0.51444%0.44SS..  trans-114.727.1-174.2-72.6-172.7-172.100111.9K375 T419K375-E421 IonicContact NZ-OE2 3.59Å; K375-E421 PolarHBondContact NZ-OE2 3.37Å; T419-E421 HydrophobicContact CG2-CG 4.44Å; T419-E421 PolarHBondContact O-N 2.97Å
422G57.6Low67.8Low33 Ų3375.9 Ų75.934%0.3443%0.427SS..  trans-82.9143.9166.600000110.3K375 L424K375-G422 WeakPolarHBondContact O-CA 3.34Å; G422-L424 PolarHBondContact O-N 2.99Å
423P61.7Low68.3Low92 Ų9271.7 Ų71.760%0.59741%0.407SS*.SBendtrans-67.3-19.3174.827.7-34000112.9L488P423-L488 HydrophobicContact CB-CD2 4.41Å; P423-L488 HydrophobicContact CG-CD2 4Å
424L73.3Confident69.2Low33 Ų3363.7 Ų63.717%0.17337%0.372CS..SBendtrans-106.6143.2-178.4-60.9177.3000111.1G422 E428 F487 L488G422-L424 PolarHBondContact O-N 2.99Å; L424-E428 HydrophobicContact CB-CB 4.4Å; L424-E428 HydrophobicContact CD2-CB 4.46Å; L424-F487 HydrophobicContact CD2-CB 3.78Å; L424-F487 WeakPolarHBondContact CD2-O 3.44Å; L424-L488 HydrophobicContact CD1-CD2 4.14Å; L424-L488 HydrophobicContact CD1-CG 4.49Å; L424-L488 HydrophobicContact CD2-CD2 4Å; L424-L488 HydrophobicContact CG-CD2 3.98Å
425I78.3Confident70.8Confident89 Ų8958.5 Ų58.546%0.45634%0.344SS..  trans-77.2159.7170.561.6175.5000110.5T427 E428 E429I425-T427 VanDerWaalsContact CD1-OG1 3.27Å; I425-T427 WeakPolarHBondContact CD1-OG1 3.33Å; I425-T427 PolarHBondContact O-N 2.95Å; I425-E428 HydrophobicContact CD1-CG 3.95Å; I425-E428 HydrophobicContact CG1-CB 3.89Å; I425-E428 VanDerWaalsContact CG1-CD 3.45Å; I425-E428 HydrophobicContact CG1-CG 3.51Å; I425-E428 PolarHBondContact O-N 2.78Å; I425-E429 PolarHBondContact O-N 3.42Å
426V78.3Confident73.5Confident50 Ų5055.7 Ų55.730%0.30331%0.312SS..THydrogen-bonded Turntrans-48.1-35.2-179.6163.10000114.1R378R378-V426 PolarHBondContact NH2-O 3.39Å
427T82.7Confident75.7Confident12 Ų1252.2 Ų52.27%0.07428%0.275CS..THydrogen-bonded Turntrans-85.6-9.7-17753.90000113.8I425 V456 Q463 S470I425-T427 VanDerWaalsContact CD1-OG1 3.27Å; I425-T427 WeakPolarHBondContact CD1-OG1 3.33Å; I425-T427 PolarHBondContact O-N 2.95Å; T427-V456 WeakPolarHBondContact O-CG1 3.47Å; T427-Q463 HydrophobicContact CG2-CB 4.08Å; T427-S470 VanDerWaalsContact O-CB 3.26Å; T427-S470 WeakPolarHBondContact O-CB 3.37Å; T427-S470 PolarHBondContact O-OG 2.82Å
428E85.6Confident78.1Confident2 Ų251.5 Ų51.51%0.00926%0.264CS..THydrogen-bonded Turntrans-105.5-6.2179.5-68.8178.217100112.6L424 I425 L430 F487 W539 K544L424-E428 HydrophobicContact CB-CB 4.4Å; L424-E428 HydrophobicContact CD2-CB 4.46Å; I425-E428 HydrophobicContact CD1-CG 3.95Å; I425-E428 HydrophobicContact CG1-CB 3.89Å; I425-E428 VanDerWaalsContact CG1-CD 3.45Å; I425-E428 HydrophobicContact CG1-CG 3.51Å; I425-E428 PolarHBondContact O-N 2.78Å; E428-L430 PolarHBondContact O-N 3.23Å; E428-F487 HydrophobicContact CB-CB 3.9Å; E428-F487 HydrophobicContact CB-CD1 4.48Å; E428-F487 HydrophobicContact CB-CD2 4.08Å; E428-F487 HydrophobicContact CB-CG 3.89Å; E428-F487 HydrophobicContact CG-CB 4.42Å; E428-F487 HydrophobicContact CG-CD1 4.22Å; E428-F487 HydrophobicContact CG-CG 4.13Å; E428-F487 WeakPolarHBondContact O-CD2 3.19Å; E428-W539 HydrophobicContact CG-CZ2 4.24Å; E428-W539 PolarHBondContact OE1-NE1 3.47Å; E428-K544 VanDerWaalsContact CD-CE 3.46Å; E428-K544 VanDerWaalsContact CD-NZ 3.32Å; E428-K544 WeakPolarHBondContact OE1-CE 3.48Å; E428-K544 IonicContact OE1-NZ 2.86Å; E428-K544 PolarHBondContact OE1-NZ 2.91Å; E428-K544 WeakPolarHBondContact OE2-CE 3.4Å; E428-K544 IonicContact OE2-NZ 2.69Å; E428-K544 PolarHBondContact OE2-NZ 2.94Å
429E87.8Confident80.2Confident14 Ų1439.4 Ų39.47%0.06522%0.219CC..  trans-79.3117.9172.7-170.5-175.3-178.100109.8F377 R378 I425 H431F377-E429 WeakPolarHBondContact CA-OE1 3.38Å; F377-E429 HydrophobicContact CD2-CG 3.81Å; F377-E429 WeakPolarHBondContact CD2-OE1 3.5Å; F377-E429 HydrophobicContact CE2-CG 3.62Å; F377-E429 WeakPolarHBondContact CE2-OE1 3.38Å; F377-E429 WeakPolarHBondContact CG-OE1 3.26Å; F377-E429 HydrophobicContact CZ-CG 4.43Å; R378-E429 IonicContact CZ-OE2 2.61Å; R378-E429 PolarHBondContact N-OE1 2.72Å; R378-E429 IonicContact NE-OE2 3.74Å; R378-E429 PolarHBondContact NE-OE2 2.77Å; R378-E429 IonicContact NH2-OE2 2.74Å; R378-E429 PolarHBondContact NH2-OE2 2.85Å; I425-E429 PolarHBondContact O-N 3.42Å; E429-H431 VanDerWaalsContact CD-NE2 3.34Å; E429-H431 WeakPolarHBondContact CG-NE2 3.48Å; E429-H431 IonicContact OE1-CE1 3.39Å; E429-H431 PolarHBondContact OE1-CE1 3.19Å; E429-H431 VanDerWaalsContact OE1-CE1 3.26Å; E429-H431 IonicContact OE1-NE2 3.85Å; E429-H431 PolarHBondContact OE1-NE2 3.22Å; E429-H431 IonicContact OE2-NE2 2.9Å
430L91.6Very high82Confident0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-98.8138.5-179.8-63.5179.6000110.6E428 P454 V456 Y474 L484 F486 F487E428-L430 PolarHBondContact O-N 3.23Å; L430-P454 HydrophobicContact CB-CB 4.06Å; L430-P454 HydrophobicContact CD1-CB 4.03Å; L430-P454 HydrophobicContact CD2-CB 4.15Å; L430-P454 HydrophobicContact CG-CB 4.31Å; L430-V456 HydrophobicContact CD2-CG2 3.72Å; L430-Y474 HydrophobicContact CD1-CD2 3.58Å; L430-Y474 HydrophobicContact CD1-CE2 3.91Å; L430-Y474 HydrophobicContact CD1-CG 4.36Å; L430-L484 HydrophobicContact CB-CB 4.19Å; L430-L484 HydrophobicContact CB-CD2 3.86Å; L430-F486 HydrophobicContact CD1-CB 4.08Å; L430-F487 HydrophobicContact CD1-CD2 4.1Å; L430-F487 HydrophobicContact CD1-CE2 4.01Å; L430-F487 HydrophobicContact CD2-CE2 4.12Å; L430-F487 HydrophobicContact CG-CD2 4.13Å; L430-F487 HydrophobicContact CG-CE2 4.12Å
431H91.9Very high83.6Confident0 Ų033.6 Ų33.60%019%0.189CC..EExtended strand (participates in β ladder)trans-124.5166.4176.4-61.6-85.6000110.1F364 D365 F377 R378 F380 E429 P454 V455 V457F364-H431 HydrophobicContact CE1-CB 3.71Å; F364-H431 AromaticContact CE1-CG 3.79Å; F364-H431 AromaticContact CE1-ND1 3.71Å; F364-H431 HydrophobicContact CE2-CB 4.18Å; F364-H431 HydrophobicContact CZ-CB 3.33Å; F364-H431 AromaticContact CZ-CG 3.76Å; D365-H431 VanDerWaalsContact OD1-CA 3.24Å; D365-H431 WeakPolarHBondContact OD1-CA 3.26Å; D365-H431 VanDerWaalsContact OD1-CB 3.27Å; D365-H431 WeakPolarHBondContact OD1-CB 3.44Å; D365-H431 IonicContact OD1-CG 3.85Å; D365-H431 IonicContact OD1-ND1 2.69Å; D365-H431 IonicContact OD2-CE1 3.71Å; D365-H431 IonicContact OD2-CG 2.63Å; D365-H431 IonicContact OD2-ND1 3.88Å; D365-H431 PolarHBondContact OD2-ND1 3.3Å; F377-H431 AromaticContact CE1-CE1 3.61Å; F377-H431 AromaticContact CE1-ND1 3.69Å; F377-H431 AromaticContact CE2-CE1 3.99Å; F377-H431 AromaticContact CZ-CE1 3.37Å; F377-H431 WeakPolarHBondContact CZ-CE1 3.4Å; F377-H431 AromaticContact CZ-ND1 3.39Å; F377-H431 WeakPolarHBondContact CZ-ND1 3.39Å; R378-H431 PolarHBondContact O-CE1 3.3Å; F380-H431 AromaticContact CD2-CE1 3.85Å; F380-H431 AromaticContact CE2-CE1 3.65Å; F380-H431 AromaticContact CE2-NE2 3.55Å; E429-H431 VanDerWaalsContact CD-NE2 3.34Å; E429-H431 WeakPolarHBondContact CG-NE2 3.48Å; E429-H431 IonicContact OE1-CE1 3.39Å; E429-H431 PolarHBondContact OE1-CE1 3.19Å; E429-H431 VanDerWaalsContact OE1-CE1 3.26Å; E429-H431 IonicContact OE1-NE2 3.85Å; E429-H431 PolarHBondContact OE1-NE2 3.22Å; E429-H431 IonicContact OE2-NE2 2.9Å; H431-P454 CarbonylContact O-C 3.59Å; H431-P454 VanDerWaalsContact O-CA 3.32Å; H431-P454 WeakPolarHBondContact O-CA 3.29Å; H431-V455 PolarHBondContact N-O 2.84Å; H431-V455 PolarHBondContact O-N 3.21Å; H431-V457 HydrophobicContact CB-CG2 4.5Å
432S92.8Very high84.8Confident3 Ų334.4 Ų34.42%0.02120%0.204CC..  trans-137148.3175.4590000112.8D365D365-S432 PolarHBondContact N-O 3.46Å; D365-S432 PolarHBondContact OD1-N 3.19Å
433L94.4Very high85.5Confident0 Ų036.7 Ų36.70%023%0.228CC..EExtended strand (participates in β ladder)trans-98.4123.4170-77.2154.2000108.8P323 F341 V343 V362 F364 I382 F435 T451 S452P323-L433 HydrophobicContact CB-CD1 3.9Å; P323-L433 HydrophobicContact CG-CD1 3.44Å; P323-L433 VanDerWaalsContact CG-CD1 3.44Å; F341-L433 HydrophobicContact CE2-CD1 3.74Å; F341-L433 HydrophobicContact CZ-CD1 4.17Å; F341-L433 HydrophobicContact CZ-CD2 4.49Å; V343-L433 HydrophobicContact CG2-CD1 4.25Å; V362-L433 HydrophobicContact CG1-CD2 3.62Å; F364-L433 HydrophobicContact CD2-CD2 3.64Å; F364-L433 HydrophobicContact CD2-CG 3.88Å; F364-L433 HydrophobicContact CE2-CD2 4.33Å; F364-L433 HydrophobicContact CE2-CG 4.18Å; I382-L433 HydrophobicContact CD1-CD2 3.72Å; L433-F435 HydrophobicContact CB-CE2 3.89Å; L433-F435 HydrophobicContact CB-CZ 3.74Å; L433-T451 CarbonylContact O-C 3.57Å; L433-T451 VanDerWaalsContact O-CA 3.23Å; L433-T451 WeakPolarHBondContact O-CA 3.26Å; L433-S452 PolarHBondContact N-OG 3.19Å; L433-S452 PolarHBondContact O-N 3.01Å
434S94.8Very high86.5Confident0 Ų032.6 Ų32.60%020%0.201CC..EExtended strand (participates in β ladder)trans-102.7140.2173.9-51.70000110.3L363 T451L363-S434 PolarHBondContact N-O 3.45Å; L363-S434 PolarHBondContact O-N 3.41Å; S434-T451 WeakPolarHBondContact OG-CG2 3.48Å
435F95.9Very high87.3Confident0 Ų035.3 Ų35.30%022%0.218CC..EExtended strand (participates in β ladder)trans-123.4127.3-179.6-55-81.7000108.7F317 V319 V343 L345 V360 K361 V362 L433 E449 T450F317-F435 HydrophobicContact CE1-CB 4.14Å; F317-F435 WeakPolarHBondContact CE1-O 3.5Å; F317-F435 HydrophobicContact CZ-CB 3.84Å; V319-F435 HydrophobicContact CG2-CD2 4.13Å; V319-F435 HydrophobicContact CG2-CE2 3.99Å; V343-F435 HydrophobicContact CB-CZ 4.25Å; V343-F435 HydrophobicContact CG1-CE1 4.19Å; V343-F435 HydrophobicContact CG1-CE2 4.28Å; V343-F435 HydrophobicContact CG1-CZ 3.61Å; V343-F435 HydrophobicContact CG2-CZ 4.3Å; L345-F435 HydrophobicContact CD1-CB 3.75Å; L345-F435 HydrophobicContact CD1-CD1 3.49Å; L345-F435 VanDerWaalsContact CD1-CD1 3.49Å; L345-F435 HydrophobicContact CD1-CD2 4.46Å; L345-F435 HydrophobicContact CD1-CE1 4.19Å; L345-F435 HydrophobicContact CD1-CG 3.64Å; L345-F435 HydrophobicContact CD2-CB 4.18Å; L345-F435 HydrophobicContact CD2-CD1 4.06Å; L345-F435 HydrophobicContact CD2-CD2 3.65Å; L345-F435 HydrophobicContact CD2-CE1 4.37Å; L345-F435 HydrophobicContact CD2-CE2 4.02Å; L345-F435 HydrophobicContact CD2-CG 3.68Å; L345-F435 HydrophobicContact CD2-CZ 4.38Å; L345-F435 HydrophobicContact CG-CD1 4.17Å; L345-F435 HydrophobicContact CG-CE1 4.49Å; L345-F435 HydrophobicContact CG-CG 4.21Å; V360-F435 HydrophobicContact CG1-CB 4.11Å; K361-F435 WeakPolarHBondContact O-CA 3.21Å; V362-F435 HydrophobicContact CB-CD1 4.26Å; V362-F435 HydrophobicContact CB-CE1 4.19Å; V362-F435 HydrophobicContact CG1-CD1 4Å; V362-F435 HydrophobicContact CG1-CE1 3.56Å; V362-F435 HydrophobicContact CG1-CZ 4.3Å; V362-F435 HydrophobicContact CG2-CD1 3.82Å; V362-F435 HydrophobicContact CG2-CE1 3.75Å; L433-F435 HydrophobicContact CB-CE2 3.89Å; L433-F435 HydrophobicContact CB-CZ 3.74Å; F435-E449 VanDerWaalsContact O-CA 3.3Å; F435-E449 WeakPolarHBondContact O-CA 3.3Å; F435-T450 HydrophobicContact CB-CG2 4.12Å; F435-T450 HydrophobicContact CD2-CG2 4.2Å; F435-T450 PolarHBondContact N-O 2.69Å; F435-T450 PolarHBondContact O-N 2.86Å
436E95.8Very high88Confident51 Ų5131.1 Ų31.124%0.23820%0.197CC..EExtended strand (participates in β ladder)trans-123.6137.9-178.6-66.6175.9177.600110.1V360 K361 L363 K366 L448 E449V360-E436 CarbonylContact C-O 3.22Å; V360-E436 VanDerWaalsContact CA-O 3.29Å; V360-E436 WeakPolarHBondContact CA-O 3.35Å; K361-E436 PolarHBondContact N-O 2.87Å; K361-E436 PolarHBondContact O-N 3.46Å; L363-E436 HydrophobicContact CD1-CG 4.11Å; L363-E436 WeakPolarHBondContact CD1-OE1 3.36Å; K366-E436 WeakPolarHBondContact CD-OE1 2.94Å; K366-E436 WeakPolarHBondContact CE-OE1 3.07Å; K366-E436 IonicContact NZ-OE1 3.8Å; K366-E436 PolarHBondContact NZ-OE1 3.47Å; E436-L448 WeakPolarHBondContact CA-O 3.43Å; E436-E449 HydrophobicContact CG-CG 4.34Å
437T94.9Very high88.7Confident8 Ų833.5 Ų33.55%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-146.9159.1166.2-173.20000109F317 L358 K359 V360 L448F317-T437 HydrophobicContact CE1-CG2 4.21Å; F317-T437 HydrophobicContact CZ-CG2 4.18Å; L358-T437 HydrophobicContact CD2-CG2 4.48Å; K359-T437 PolarHBondContact N-OG1 3.44Å; K359-T437 PolarHBondContact O-OG1 2.96Å; V360-T437 HydrophobicContact CG2-CG2 4.36Å; T437-L448 HydrophobicContact CG2-CB 3.69Å; T437-L448 HydrophobicContact CG2-CD1 3.8Å; T437-L448 HydrophobicContact CG2-CG 4.1Å; T437-L448 PolarHBondContact N-O 3.42Å; T437-L448 PolarHBondContact O-N 3.43Å; T437-L448 VanDerWaalsContact O-O 3.12Å
438Q93.2Very high89.3Confident89 Ų8933 Ų3342%0.41621%0.205SC..EExtended strand (participates in β ladder)trans-123.9132.6176.6-175.1175.869.900108.6C440 V445 I446 D447Q438-C440 PolarHBondContact OE1-SG 3.29Å; Q438-C440 VanDerWaalsContact OE1-SG 3.37Å; Q438-V445 HydrophobicContact CG-CG1 3.78Å; Q438-I446 WeakPolarHBondContact CA-O 3.42Å; Q438-D447 VanDerWaalsContact CG-OD1 3.32Å; Q438-D447 WeakPolarHBondContact CG-OD1 3.39Å; Q438-D447 PolarHBondContact NE2-OD1 3.13Å
439L89.3Confident89.8Confident1 Ų136.3 Ų36.31%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-91.3118.5168.8175.857.5000108.7I313 L354 L358 Q441 V445 I446I313-L439 HydrophobicContact CD1-CD2 3.54Å; L354-L439 HydrophobicContact CD2-CD1 3.36Å; L354-L439 HydrophobicContact CD2-CD2 3.85Å; L354-L439 HydrophobicContact CD2-CG 4.26Å; L358-L439 HydrophobicContact CD2-CB 3.86Å; L358-L439 HydrophobicContact CD2-CD1 4.03Å; L439-Q441 HydrophobicContact CD1-CG 4.04Å; L439-Q441 HydrophobicContact CG-CG 4.43Å; L439-V445 VanDerWaalsContact O-CA 3.32Å; L439-V445 WeakPolarHBondContact O-CA 3.26Å; L439-I446 HydrophobicContact CB-CB 4.38Å; L439-I446 PolarHBondContact N-O 3.29Å; L439-I446 PolarHBondContact O-N 3.03Å
440C84.6Confident90.1Very high76 Ų7636.6 Ų36.651%0.51422%0.223SC..EExtended strand (participates in β ladder)trans-114.4110.4174.9-61.90000109.9Q438Q438-C440 PolarHBondContact OE1-SG 3.29Å; Q438-C440 VanDerWaalsContact OE1-SG 3.37Å
441Q79.9Confident90.3Very high43 Ų4337.4 Ų37.420%0.20123%0.228CC..EExtended strand (participates in β ladder)trans-125.8164.2171.5-75.4-171.3-27.900109.8E353 L439 G443 L444E353-Q441 PolarHBondContact OE2-NE2 3.47Å; L439-Q441 HydrophobicContact CD1-CG 4.04Å; L439-Q441 HydrophobicContact CG-CG 4.43Å; Q441-G443 PolarHBondContact O-N 3.01Å; Q441-L444 HydrophobicContact CB-CB 4.08Å; Q441-L444 HydrophobicContact CB-CD2 4.39Å; Q441-L444 PolarHBondContact N-O 2.99Å; Q441-L444 PolarHBondContact O-N 3.25Å
442P75.9Confident90.4Very high126 Ų12637.4 Ų37.482%0.81823%0.228SC*.THydrogen-bonded Turntrans-56.2112.7-179.9-25.734.9000112.5L444P442-L444 VanDerWaalsContact C-N 3.31Å; P442-L444 PolarHBondContact O-N 2.9Å
443G73.7Confident90.5Very high82 Ų8237.6 Ų37.685%0.84523%0.229SC*.THydrogen-bonded Turntrans69.923-177.200000114.5Q441Q441-G443 PolarHBondContact O-N 3.01Å
444L81.9Confident90.5Very high6 Ų637.6 Ų37.63%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-146.7116.5-178.9-17371.6000110.7F306 F309 Q441 P442 I446F306-L444 HydrophobicContact CD2-CD1 3.45Å; F306-L444 VanDerWaalsContact CD2-CD1 3.45Å; F306-L444 HydrophobicContact CE2-CD1 3.12Å; F306-L444 HydrophobicContact CE2-CG 4.47Å; F306-L444 HydrophobicContact CZ-CD1 4.18Å; F309-L444 HydrophobicContact CE1-CD2 4.24Å; Q441-L444 HydrophobicContact CB-CB 4.08Å; Q441-L444 HydrophobicContact CB-CD2 4.39Å; Q441-L444 PolarHBondContact N-O 2.99Å; Q441-L444 PolarHBondContact O-N 3.25Å; P442-L444 VanDerWaalsContact C-N 3.31Å; P442-L444 PolarHBondContact O-N 2.9Å; L444-I446 HydrophobicContact CD1-CD1 4.06Å; L444-I446 HydrophobicContact CD1-CG1 4.21Å; L444-I446 HydrophobicContact CD2-CD1 4.18Å; L444-I446 HydrophobicContact CG-CD1 4.12Å; L444-I446 HydrophobicContact CG-CG1 4.21Å
445V90.1Very high90.5Very high89 Ų8937.6 Ų37.654%0.53923%0.229SC..EExtended strand (participates in β ladder)trans-126.9120.8172.6-178.10000108.2Q438 L439Q438-V445 HydrophobicContact CG-CG1 3.78Å; L439-V445 VanDerWaalsContact O-CA 3.32Å; L439-V445 WeakPolarHBondContact O-CA 3.26Å
446I92.9Very high90.5Very high1 Ų137.6 Ų37.61%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-129.3121.8-179.8-56.7173.1000109.1F306 F309 Q310 I313 Q314 Q438 L439 L444 L448F306-I446 HydrophobicContact CE2-CD1 4.13Å; F306-I446 HydrophobicContact CE2-CG1 4.17Å; F309-I446 HydrophobicContact CD1-CD1 4.07Å; F309-I446 HydrophobicContact CE1-CD1 4.07Å; Q310-I446 HydrophobicContact CB-CD1 4.41Å; Q310-I446 HydrophobicContact CG-CG1 4.5Å; Q310-I446 HydrophobicContact CG-CG2 4.04Å; I313-I446 HydrophobicContact CG2-CD1 3.87Å; I313-I446 HydrophobicContact CG2-CG2 3.99Å; Q314-I446 HydrophobicContact CG-CG2 4.06Å; Q438-I446 WeakPolarHBondContact CA-O 3.42Å; L439-I446 HydrophobicContact CB-CB 4.38Å; L439-I446 PolarHBondContact N-O 3.29Å; L439-I446 PolarHBondContact O-N 3.03Å; L444-I446 HydrophobicContact CD1-CD1 4.06Å; L444-I446 HydrophobicContact CD1-CG1 4.21Å; L444-I446 HydrophobicContact CD2-CD1 4.18Å; L444-I446 HydrophobicContact CG-CD1 4.12Å; L444-I446 HydrophobicContact CG-CG1 4.21Å; I446-L448 HydrophobicContact CG2-CD2 3.73Å
447D94.3Very high90.5Very high100 Ų10035.2 Ų35.254%0.53522%0.218SC..EExtended strand (participates in β ladder)trans-83.5129.6170.9-61.4-43.4000110Q314 Q438Q314-D447 PolarHBondContact NE2-O 3.01Å; Q438-D447 VanDerWaalsContact CG-OD1 3.32Å; Q438-D447 WeakPolarHBondContact CG-OD1 3.39Å; Q438-D447 PolarHBondContact NE2-OD1 3.13Å
448L95.2Very high90.5Very high2 Ų234.8 Ų34.81%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-113.9123.6175.8-46178.8000108.4I313 Q314 F317 L347 E436 T437 I446I313-L448 HydrophobicContact CG1-CD1 4.46Å; I313-L448 HydrophobicContact CG1-CD2 4.31Å; I313-L448 HydrophobicContact CG2-CD2 3.99Å; Q314-L448 HydrophobicContact CB-CD2 4.37Å; Q314-L448 HydrophobicContact CG-CD2 3.73Å; F317-L448 HydrophobicContact CB-CB 4.29Å; F317-L448 HydrophobicContact CD1-CB 3.73Å; F317-L448 HydrophobicContact CE1-CB 4.33Å; F317-L448 HydrophobicContact CG-CB 4.19Å; L347-L448 HydrophobicContact CD1-CD1 4.03Å; E436-L448 WeakPolarHBondContact CA-O 3.43Å; T437-L448 HydrophobicContact CG2-CB 3.69Å; T437-L448 HydrophobicContact CG2-CD1 3.8Å; T437-L448 HydrophobicContact CG2-CG 4.1Å; T437-L448 PolarHBondContact N-O 3.42Å; T437-L448 PolarHBondContact O-N 3.43Å; T437-L448 VanDerWaalsContact O-O 3.12Å; I446-L448 HydrophobicContact CG2-CD2 3.73Å
449E95.1Very high90.3Very high71 Ų7133.3 Ų33.333%0.33222%0.215SC..EExtended strand (participates in β ladder)trans-129.1138.1174.9-173-178.1139.200110K366 F435 E436 R482K366-E449 IonicContact NZ-OE2 2.7Å; K366-E449 PolarHBondContact NZ-OE2 3.15Å; F435-E449 VanDerWaalsContact O-CA 3.3Å; F435-E449 WeakPolarHBondContact O-CA 3.3Å; E436-E449 HydrophobicContact CG-CG 4.34Å; E449-R482 IonicContact OE1-CZ 2.95Å; E449-R482 IonicContact OE1-NH1 2.82Å; E449-R482 IonicContact OE1-NH2 2.67Å; E449-R482 PolarHBondContact OE1-NH2 3.34Å
450T94.9Very high90.5Very high21 Ų2137.6 Ų37.613%0.12924%0.237CC..EExtended strand (participates in β ladder)trans-146.3157.9171.7-157.30000110.3F317 V319 L345 F435F317-T450 HydrophobicContact CD1-CG2 3.67Å; F317-T450 HydrophobicContact CD2-CG2 4.36Å; F317-T450 HydrophobicContact CE1-CG2 3.58Å; F317-T450 HydrophobicContact CE2-CG2 4.23Å; F317-T450 HydrophobicContact CG-CG2 4.09Å; F317-T450 HydrophobicContact CZ-CG2 3.88Å; F317-T450 VanDerWaalsContact O-CB 3.23Å; F317-T450 WeakPolarHBondContact O-CB 3.2Å; F317-T450 PolarHBondContact O-OG1 3.17Å; V319-T450 HydrophobicContact CG2-CG2 4.14Å; L345-T450 HydrophobicContact CD2-CG2 4.11Å; F435-T450 HydrophobicContact CB-CG2 4.12Å; F435-T450 HydrophobicContact CD2-CG2 4.2Å; F435-T450 PolarHBondContact N-O 2.69Å; F435-T450 PolarHBondContact O-N 2.86Å
451T94.7Very high90.7Very high17 Ų1737.2 Ų37.210%0.10423%0.233CC..EExtended strand (participates in β ladder)trans-125.5150.1179.953.80000111.9L433 S434 R482L433-T451 CarbonylContact O-C 3.57Å; L433-T451 VanDerWaalsContact O-CA 3.23Å; L433-T451 WeakPolarHBondContact O-CA 3.26Å; S434-T451 WeakPolarHBondContact OG-CG2 3.48Å; T451-R482 VanDerWaalsContact CG2-CZ 3.47Å; T451-R482 VanDerWaalsContact CG2-NH2 3.26Å
452S94.9Very high91.3Very high0 Ų039.4 Ų39.40%025%0.253CS..PPolyproline II helixtrans-65.7167.9166.571.70000111.2L433L433-S452 PolarHBondContact N-OG 3.19Å; L433-S452 PolarHBondContact O-N 3.01Å
453L94.9Very high92Very high7 Ų735.6 Ų35.64%0.03722%0.224CC..PPolyproline II helixtrans-62.3159.4160.2-64.2168.4000109.8Q244 Q322 L333Q244-L453 HydrophobicContact CB-CD1 4.42Å; Q244-L453 HydrophobicContact CG-CD1 3.63Å; Q244-L453 HydrophobicContact CG-CD2 3.6Å; Q244-L453 HydrophobicContact CG-CG 4.26Å; Q244-L453 VanDerWaalsContact NE2-CD2 3.28Å; Q322-L453 HydrophobicContact CG-CD1 4.04Å; L333-L453 HydrophobicContact CD1-CB 3.79Å; L333-L453 HydrophobicContact CD1-CD1 4Å; L333-L453 HydrophobicContact CD2-CB 3.9Å
454P94.3Very high93Very high0 Ų032.5 Ų32.50%019%0.188CC..PPolyproline II helixtrans-60.1142.8178-28.139.9000112.5L430 H431 Y474 P481 L484L430-P454 HydrophobicContact CB-CB 4.06Å; L430-P454 HydrophobicContact CD1-CB 4.03Å; L430-P454 HydrophobicContact CD2-CB 4.15Å; L430-P454 HydrophobicContact CG-CB 4.31Å; H431-P454 CarbonylContact O-C 3.59Å; H431-P454 VanDerWaalsContact O-CA 3.32Å; H431-P454 WeakPolarHBondContact O-CA 3.29Å; P454-Y474 HydrophobicContact CB-CE1 4.44Å; P454-Y474 HydrophobicContact CG-CD1 4.25Å; P454-Y474 HydrophobicContact CG-CE1 3.6Å; P454-Y474 HydrophobicContact CG-CE2 4.01Å; P454-Y474 VanDerWaalsContact CG-CZ 3.46Å; P454-P481 WeakPolarHBondContact CD-O 3.39Å; P454-P481 WeakPolarHBondContact CG-O 3.46Å; P454-L484 HydrophobicContact CB-CD2 3.89Å; P454-L484 HydrophobicContact CG-CD2 4.04Å
455V95.2Very high93.5Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-120.1140.7-172.3172.80000109.6P323 L333 L335 H431 V457P323-V455 HydrophobicContact CB-CG2 4.23Å; P323-V455 HydrophobicContact CG-CG2 4.03Å; L333-V455 HydrophobicContact CD2-CG2 4.08Å; L333-V455 CarbonylContact O-C 3.58Å; L333-V455 VanDerWaalsContact O-CA 3.28Å; L333-V455 WeakPolarHBondContact O-CA 3.4Å; L333-V455 WeakPolarHBondContact O-CG1 3.33Å; L335-V455 HydrophobicContact CB-CG1 4.07Å; L335-V455 HydrophobicContact CD1-CG1 3.61Å; L335-V455 HydrophobicContact CG-CG1 3.52Å; H431-V455 PolarHBondContact N-O 2.84Å; H431-V455 PolarHBondContact O-N 3.21Å; V455-V457 HydrophobicContact CG1-CG2 4.44Å
456V95.8Very high93.7Very high0 Ų030.2 Ų30.20%018%0.176CC..EExtended strand (participates in β ladder)trans-99.6128.7170.9175.80000109.5L333 L335 T427 L430 I458 I471L333-V456 PolarHBondContact O-N 2.64Å; L335-V456 PolarHBondContact N-O 3.3Å; T427-V456 WeakPolarHBondContact O-CG1 3.47Å; L430-V456 HydrophobicContact CD2-CG2 3.72Å; V456-I458 HydrophobicContact CG1-CG2 4.08Å; V456-I471 HydrophobicContact CB-CD1 4.43Å; V456-I471 HydrophobicContact CG2-CD1 3.76Å; V456-I471 HydrophobicContact CG2-CG1 4.15Å
457V94.6Very high93.8Very high0 Ų030.2 Ų30.20%018%0.176CC..EExtended strand (participates in β ladder)trans-103.7116.6178.6-173.80000111.5L335 T337 F364 R378 F380 L409 H431 V455L335-V457 CarbonylContact O-C 3.54Å; L335-V457 WeakPolarHBondContact O-CA 3.11Å; T337-V457 HydrophobicContact CG2-CG1 3.66Å; F364-V457 HydrophobicContact CZ-CG2 3.85Å; R378-V457 PolarHBondContact NH1-O 3.04Å; R378-V457 PolarHBondContact NH2-O 3.43Å; F380-V457 HydrophobicContact CD1-CG1 3.92Å; F380-V457 HydrophobicContact CD2-CB 4.5Å; F380-V457 HydrophobicContact CD2-CG1 4.43Å; F380-V457 HydrophobicContact CD2-CG2 4.38Å; F380-V457 HydrophobicContact CE1-CB 4.35Å; F380-V457 HydrophobicContact CE1-CG1 3.54Å; F380-V457 HydrophobicContact CE2-CB 4.01Å; F380-V457 HydrophobicContact CE2-CG1 4.08Å; F380-V457 HydrophobicContact CE2-CG2 4.32Å; F380-V457 HydrophobicContact CG-CG1 4.37Å; F380-V457 HydrophobicContact CZ-CB 3.94Å; F380-V457 HydrophobicContact CZ-CG1 3.62Å; L409-V457 HydrophobicContact CD1-CG1 4.18Å; L409-V457 HydrophobicContact CD1-CG2 3.73Å; H431-V457 HydrophobicContact CB-CG2 4.5Å; V455-V457 HydrophobicContact CG1-CG2 4.44Å
458I94.3Very high93.9Very high0 Ų025.6 Ų25.60%015%0.151CC..EExtended strand (participates in β ladder)trans-109.1155-177.965.1174.9000112.4V334 L335 K336 T337 V456 Q463 L464V334-I458 HydrophobicContact CG1-CD1 3.78Å; V334-I458 HydrophobicContact CG1-CG1 4.2Å; V334-I458 HydrophobicContact CG1-CG2 4.06Å; L335-I458 PolarHBondContact O-N 3.3Å; K336-I458 CarbonylContact C-O 3.49Å; K336-I458 WeakPolarHBondContact CA-O 3.45Å; K336-I458 HydrophobicContact CB-CD1 4.26Å; K336-I458 HydrophobicContact CB-CG1 3.85Å; K336-I458 HydrophobicContact CG-CG1 4.3Å; T337-I458 PolarHBondContact N-O 2.89Å; V456-I458 HydrophobicContact CG1-CG2 4.08Å; I458-Q463 HydrophobicContact CB-CB 4.05Å; I458-Q463 HydrophobicContact CG2-CB 3.88Å; I458-L464 HydrophobicContact CD1-CB 4.16Å; I458-L464 HydrophobicContact CD1-CD1 3.95Å
459S91.1Very high93.9Very high57 Ų5725.5 Ų25.540%0.39915%0.151SC..SBendtrans-100.1-33.5176-56.30000112.4K336K336-S459 WeakPolarHBondContact CE-O 3.36Å
460N91.4Very high93.9Very high91 Ų9122.1 Ų22.149%0.48714%0.135SC..SBendtrans-125.6146.9-178.2-165.2-46.5000111.3S462 Q463N460-S462 PolarHBondContact O-N 3.12Å; N460-S462 PolarHBondContact OD1-N 3.43Å; N460-S462 PolarHBondContact OD1-OG 2.99Å; N460-Q463 WeakPolarHBondContact O-CB 3.19Å; N460-Q463 PolarHBondContact O-N 3.27Å
461V90.8Very high93.9Very high69 Ų6921.1 Ų21.142%0.41813%0.129SC..G310 helixtrans-59.8-28.1175.4-176.80000111.8K336 Q463 L464K336-V461 HydrophobicContact CD-CG2 3.9Å; V461-Q463 PolarHBondContact O-N 2.97Å; V461-Q463 VanDerWaalsContact O-N 3.07Å; V461-L464 WeakPolarHBondContact O-CB 3.26Å; V461-L464 PolarHBondContact O-N 3.31Å
462S90.6Very high93.9Very high89 Ų8920.5 Ų20.562%0.62213%0.125SC*.G310 helixtrans-59.6-19.2174.567.40000114N460N460-S462 PolarHBondContact O-N 3.12Å; N460-S462 PolarHBondContact OD1-N 3.43Å; N460-S462 PolarHBondContact OD1-OG 2.99Å
463Q92.1Very high94Very high45 Ų4520.5 Ų20.521%0.2113%0.125CC..G310 helixtrans-90.1-9.1177.9-56.2175.7-73.600112.5T427 I458 N460 V461 S466 G467T427-Q463 HydrophobicContact CG2-CB 4.08Å; I458-Q463 HydrophobicContact CB-CB 4.05Å; I458-Q463 HydrophobicContact CG2-CB 3.88Å; N460-Q463 WeakPolarHBondContact O-CB 3.19Å; N460-Q463 PolarHBondContact O-N 3.27Å; V461-Q463 PolarHBondContact O-N 2.97Å; V461-Q463 VanDerWaalsContact O-N 3.07Å; Q463-S466 PolarHBondContact O-N 3.09Å; Q463-G467 PolarHBondContact O-N 2.74Å
464L93.4Very high94Very high18 Ų1820.2 Ų20.29%0.09412%0.123CC..Hα-helixtrans-56.1-43.8-178.2-167.599.2000112.2M325 R331 V334 I458 V461 S466 G467 W468M325-L464 HydrophobicContact CE-CD1 4.15Å; R331-L464 HydrophobicContact CG-CD2 3.95Å; R331-L464 HydrophobicContact CG-CG 4.35Å; V334-L464 HydrophobicContact CG1-CD1 4.08Å; I458-L464 HydrophobicContact CD1-CB 4.16Å; I458-L464 HydrophobicContact CD1-CD1 3.95Å; V461-L464 WeakPolarHBondContact O-CB 3.26Å; V461-L464 PolarHBondContact O-N 3.31Å; L464-S466 PolarHBondContact O-N 2.64Å; L464-G467 PolarHBondContact O-N 3.4Å; L464-W468 VanDerWaalsContact O-CB 3.27Å; L464-W468 WeakPolarHBondContact O-CB 3.33Å; L464-W468 PolarHBondContact O-N 2.53Å
465P93.2Very high93.9Very high18 Ų1820.3 Ų20.312%0.11712%0.124CC..Hα-helixtrans-60.1-45.5176.5-26.838.3000112.9W468 A469 W555 L556 E559P465-W468 PolarHBondContact O-N 3.12Å; P465-A469 PolarHBondContact O-N 3.24Å; P465-W555 PolarHBondContact O-NE1 3.12Å; P465-L556 HydrophobicContact CB-CD2 3.67Å; P465-E559 HydrophobicContact CB-CB 4.43Å; P465-E559 HydrophobicContact CB-CG 3.9Å; P465-E559 HydrophobicContact CG-CG 4.33Å; P465-E559 WeakPolarHBondContact CG-OE2 3.43Å
466S93.8Very high93.8Very high29 Ų2920.6 Ų20.620%0.20313%0.125CC..Hα-helixtrans-70.9-41.2-179.6-60.60000112.6Q463 L464 W468 A469 S470Q463-S466 PolarHBondContact O-N 3.09Å; L464-S466 PolarHBondContact O-N 2.64Å; S466-W468 VanDerWaalsContact C-N 3.29Å; S466-W468 PolarHBondContact O-N 3.26Å; S466-A469 VanDerWaalsContact O-CB 3.27Å; S466-A469 WeakPolarHBondContact O-CB 3.45Å; S466-A469 PolarHBondContact O-N 3.22Å; S466-S470 PolarHBondContact O-N 3.16Å
467G94.9Very high93.6Very high0 Ų022.6 Ų22.60%014%0.136CC..Hα-helixtrans-63.3-37.9174.300000111.7Q463 L464 S470 I471Q463-G467 PolarHBondContact O-N 2.74Å; L464-G467 PolarHBondContact O-N 3.4Å; G467-S470 WeakPolarHBondContact O-CB 3.47Å; G467-S470 PolarHBondContact O-N 3.08Å; G467-I471 WeakPolarHBondContact O-CG1 3.45Å; G467-I471 PolarHBondContact O-N 3.35Å; G467-I471 VanDerWaalsContact O-N 3.16Å
468W96Very high93.3Very high3 Ų323.4 Ų23.41%0.01114%0.141CC..Hα-helixtrans-64.9-38.3173.8-177.8-106.7000112.7C247 I248 R331 P332 V334 L464 P465 S466 S470 I471 L472 W555C247-W468 WeakPolarHBondContact O-CH2 3.34Å; I248-W468 HydrophobicContact CG2-CH2 4.35Å; R331-W468 HydrophobicContact CB-CE3 4.1Å; R331-W468 HydrophobicContact CB-CZ3 4.49Å; R331-W468 VanDerWaalsContact CD-CD2 3.4Å; R331-W468 VanDerWaalsContact CD-CG 3.5Å; R331-W468 VanDerWaalsContact NH1-CD1 3.26Å; P332-W468 HydrophobicContact CG-CH2 4.14Å; P332-W468 HydrophobicContact CG-CZ3 4.01Å; P332-W468 WeakPolarHBondContact O-CZ3 3.36Å; V334-W468 HydrophobicContact CG2-CB 4.44Å; V334-W468 HydrophobicContact CG2-CE3 4.19Å; L464-W468 VanDerWaalsContact O-CB 3.27Å; L464-W468 WeakPolarHBondContact O-CB 3.33Å; L464-W468 PolarHBondContact O-N 2.53Å; P465-W468 PolarHBondContact O-N 3.12Å; S466-W468 VanDerWaalsContact C-N 3.29Å; S466-W468 PolarHBondContact O-N 3.26Å; W468-S470 PolarHBondContact O-N 3.37Å; W468-I471 HydrophobicContact CE3-CB 4.06Å; W468-I471 HydrophobicContact CE3-CG2 3.97Å; W468-I471 HydrophobicContact CH2-CG2 4.48Å; W468-I471 HydrophobicContact CZ3-CB 4.34Å; W468-I471 HydrophobicContact CZ3-CG2 3.73Å; W468-I471 PolarHBondContact O-N 3.31Å; W468-I471 VanDerWaalsContact O-N 3.11Å; W468-L472 HydrophobicContact CD2-CG 4.37Å; W468-L472 HydrophobicContact CG-CG 4.42Å; W468-L472 HydrophobicContact CH2-CD2 4.5Å; W468-L472 HydrophobicContact CZ2-CD2 3.61Å; W468-L472 HydrophobicContact CZ2-CG 4.31Å; W468-L472 WeakPolarHBondContact O-CG 3.29Å; W468-L472 PolarHBondContact O-N 3.04Å; W468-W555 AromaticContact CD1-CH2 3.97Å; W468-W555 AromaticContact CD1-CZ2 3.43Å; W468-W555 VanDerWaalsContact CD1-CZ2 3.43Å
469A95.5Very high92.6Very high0 Ų026.7 Ų26.70%017%0.167CC..Hα-helixtrans-54.7-42.5174.100000111.7P465 S466 L472 W473 W539 F542 C543 W555P465-A469 PolarHBondContact O-N 3.24Å; S466-A469 VanDerWaalsContact O-CB 3.27Å; S466-A469 WeakPolarHBondContact O-CB 3.45Å; S466-A469 PolarHBondContact O-N 3.22Å; A469-L472 PolarHBondContact O-N 3.07Å; A469-W473 PolarHBondContact O-N 3.31Å; A469-W539 HydrophobicContact CB-CH2 3.84Å; A469-W539 HydrophobicContact CB-CZ3 4.25Å; A469-W539 WeakPolarHBondContact O-CZ3 3.15Å; A469-F542 HydrophobicContact CB-CE1 4.2Å; A469-C543 HydrophobicContact CB-CB 4.34Å; A469-C543 VanDerWaalsContact CB-SG 3.53Å; A469-W555 HydrophobicContact CB-CD2 4.43Å; A469-W555 HydrophobicContact CB-CG 3.88Å
470S95.2Very high92Very high0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-66.3-41.1177.7-65.20000111.9T427 S466 G467 W468 W473 Y474 F487T427-S470 VanDerWaalsContact O-CB 3.26Å; T427-S470 WeakPolarHBondContact O-CB 3.37Å; T427-S470 PolarHBondContact O-OG 2.82Å; S466-S470 PolarHBondContact O-N 3.16Å; G467-S470 WeakPolarHBondContact O-CB 3.47Å; G467-S470 PolarHBondContact O-N 3.08Å; W468-S470 PolarHBondContact O-N 3.37Å; S470-W473 PolarHBondContact O-N 3.22Å; S470-Y474 WeakPolarHBondContact O-CB 3.34Å; S470-Y474 PolarHBondContact O-N 3.49Å; S470-F487 VanDerWaalsContact CB-CZ 3.48Å; S470-F487 WeakPolarHBondContact O-CZ 3.17Å
471I95.6Very high90.9Very high0 Ų028.6 Ų28.60%017%0.173CC..Hα-helixtrans-63.2-42174.2-64.7-53.1000111.8I248 L333 V334 V456 G467 W468 N475I248-I471 HydrophobicContact CG2-CG2 4.28Å; L333-I471 HydrophobicContact CB-CD1 3.62Å; L333-I471 HydrophobicContact CB-CG1 3.96Å; L333-I471 HydrophobicContact CB-CG2 4Å; L333-I471 HydrophobicContact CD1-CG2 3.92Å; V334-I471 HydrophobicContact CG2-CG1 3.74Å; V456-I471 HydrophobicContact CB-CD1 4.43Å; V456-I471 HydrophobicContact CG2-CD1 3.76Å; V456-I471 HydrophobicContact CG2-CG1 4.15Å; G467-I471 WeakPolarHBondContact O-CG1 3.45Å; G467-I471 PolarHBondContact O-N 3.35Å; G467-I471 VanDerWaalsContact O-N 3.16Å; W468-I471 HydrophobicContact CE3-CB 4.06Å; W468-I471 HydrophobicContact CE3-CG2 3.97Å; W468-I471 HydrophobicContact CH2-CG2 4.48Å; W468-I471 HydrophobicContact CZ3-CB 4.34Å; W468-I471 HydrophobicContact CZ3-CG2 3.73Å; W468-I471 PolarHBondContact O-N 3.31Å; W468-I471 VanDerWaalsContact O-N 3.11Å; I471-N475 WeakPolarHBondContact CG2-ND2 3.42Å; I471-N475 WeakPolarHBondContact O-CB 3.37Å; I471-N475 PolarHBondContact O-N 2.91Å; I471-N475 VanDerWaalsContact O-N 3.09Å; I471-N475 PolarHBondContact O-ND2 2.53Å
472L95.3Very high90Very high4 Ų430.8 Ų30.82%0.02117%0.173CC..Hα-helixtrans-58.9-50.6174.7-70.5-178000111I248 W468 A469 Y474 M476 V501 Q505 W555I248-L472 HydrophobicContact CB-CD2 3.69Å; I248-L472 HydrophobicContact CG2-CD2 3.91Å; W468-L472 HydrophobicContact CD2-CG 4.37Å; W468-L472 HydrophobicContact CG-CG 4.42Å; W468-L472 HydrophobicContact CH2-CD2 4.5Å; W468-L472 HydrophobicContact CZ2-CD2 3.61Å; W468-L472 HydrophobicContact CZ2-CG 4.31Å; W468-L472 WeakPolarHBondContact O-CG 3.29Å; W468-L472 PolarHBondContact O-N 3.04Å; A469-L472 PolarHBondContact O-N 3.07Å; L472-Y474 PolarHBondContact O-N 3.07Å; L472-M476 WeakPolarHBondContact O-CB 3.48Å; L472-M476 PolarHBondContact O-N 2.97Å; L472-V501 HydrophobicContact CD2-CG1 3.99Å; L472-Q505 HydrophobicContact CD1-CG 4.28Å; L472-W555 HydrophobicContact CD1-CE3 4.21Å; L472-W555 HydrophobicContact CD1-CH2 3.52Å; L472-W555 HydrophobicContact CD1-CZ2 3.93Å; L472-W555 HydrophobicContact CD1-CZ3 3.67Å
473W95.4Very high89.6Confident1 Ų128.9 Ų28.90%0.00416%0.156CC..Hα-helixtrans-64.2-43.7-176.2-149.8-101.5000112.4A469 S470 M476 L477 F486 F487 P491 A493 L498 I537 W539 F542A469-W473 PolarHBondContact O-N 3.31Å; S470-W473 PolarHBondContact O-N 3.22Å; W473-M476 HydrophobicContact CD2-CE 4.04Å; W473-M476 HydrophobicContact CE3-CE 3.78Å; W473-M476 HydrophobicContact CZ3-CE 4.03Å; W473-L477 HydrophobicContact CD2-CD1 4.39Å; W473-L477 HydrophobicContact CG-CD1 4.27Å; W473-L477 VanDerWaalsContact NE1-CD1 3.35Å; W473-L477 WeakPolarHBondContact O-CG 3.49Å; W473-L477 PolarHBondContact O-N 3.07Å; W473-F486 AromaticContact CD1-CE1 3.8Å; W473-F486 AromaticContact CD1-CZ 3.84Å; W473-F487 HydrophobicContact CB-CE1 4.43Å; W473-F487 HydrophobicContact CB-CZ 4.43Å; W473-P491 PolarHBondContact NE1-O 3.17Å; W473-A493 HydrophobicContact CH2-CB 3.54Å; W473-A493 HydrophobicContact CZ2-CB 3.64Å; W473-A493 HydrophobicContact CZ3-CB 4.13Å; W473-L498 HydrophobicContact CZ3-CD1 3.97Å; W473-L498 HydrophobicContact CZ3-CD2 4.23Å; W473-I537 HydrophobicContact CH2-CG2 4.19Å; W473-I537 VanDerWaalsContact CZ2-O 3.31Å; W473-I537 WeakPolarHBondContact CZ2-O 3.2Å; W473-W539 HydrophobicContact CB-CE3 3.69Å; W473-W539 HydrophobicContact CB-CH2 4.46Å; W473-W539 HydrophobicContact CB-CZ3 3.54Å; W473-W539 AromaticContact CD1-CE3 3.79Å; W473-W539 HydrophobicContact CD2-CD2 4.45Å; W473-W539 AromaticContact CD2-CE3 3.42Å; W473-W539 HydrophobicContact CD2-CE3 3.42Å; W473-W539 VanDerWaalsContact CD2-CE3 3.42Å; W473-W539 AromaticContact CD2-CZ3 4Å; W473-W539 HydrophobicContact CD2-CZ3 4Å; W473-W539 AromaticContact CE2-CE3 3.91Å; W473-W539 AromaticContact CE3-CE3 3.83Å; W473-W539 HydrophobicContact CE3-CE3 3.83Å; W473-W539 HydrophobicContact CE3-CZ3 4.15Å; W473-W539 HydrophobicContact CG-CD2 4.25Å; W473-W539 AromaticContact CG-CE3 3.35Å; W473-W539 HydrophobicContact CG-CE3 3.35Å; W473-W539 AromaticContact CG-CZ3 3.75Å; W473-W539 HydrophobicContact CG-CZ3 3.75Å; W473-W539 HydrophobicContact CZ2-CB 4.2Å; W473-F542 HydrophobicContact CE3-CB 4.29Å; W473-F542 AromaticContact CE3-CD1 3.53Å; W473-F542 HydrophobicContact CE3-CD1 3.53Å; W473-F542 AromaticContact CE3-CE1 3.91Å; W473-F542 HydrophobicContact CE3-CE1 3.91Å; W473-F542 AromaticContact CE3-CG 3.89Å; W473-F542 HydrophobicContact CE3-CG 3.89Å; W473-F542 HydrophobicContact CH2-CB 3.82Å; W473-F542 HydrophobicContact CH2-CG 4.14Å; W473-F542 HydrophobicContact CZ3-CB 3.56Å; W473-F542 AromaticContact CZ3-CD1 3.55Å; W473-F542 HydrophobicContact CZ3-CD1 3.55Å; W473-F542 AromaticContact CZ3-CD2 3.84Å; W473-F542 HydrophobicContact CZ3-CD2 3.84Å; W473-F542 HydrophobicContact CZ3-CE1 4.14Å; W473-F542 HydrophobicContact CZ3-CE2 4.39Å; W473-F542 AromaticContact CZ3-CG 3.37Å; W473-F542 HydrophobicContact CZ3-CG 3.37Å
474Y94.5Very high89.2Confident1 Ų127.2 Ų27.20%0.00415%0.148CC..Hα-helixtrans-61.5-56.4178.4-175.5-85.5000111.5L430 P454 S470 L472 M476 L477 V478 E480 N483 F486L430-Y474 HydrophobicContact CD1-CD2 3.58Å; L430-Y474 HydrophobicContact CD1-CE2 3.91Å; L430-Y474 HydrophobicContact CD1-CG 4.36Å; P454-Y474 HydrophobicContact CB-CE1 4.44Å; P454-Y474 HydrophobicContact CG-CD1 4.25Å; P454-Y474 HydrophobicContact CG-CE1 3.6Å; P454-Y474 HydrophobicContact CG-CE2 4.01Å; P454-Y474 VanDerWaalsContact CG-CZ 3.46Å; S470-Y474 WeakPolarHBondContact O-CB 3.34Å; S470-Y474 PolarHBondContact O-N 3.49Å; L472-Y474 PolarHBondContact O-N 3.07Å; Y474-M476 VanDerWaalsContact C-N 3.3Å; Y474-M476 PolarHBondContact O-N 3.44Å; Y474-L477 PolarHBondContact O-N 3.19Å; Y474-V478 HydrophobicContact CD1-CB 4.49Å; Y474-V478 HydrophobicContact CD2-CG2 4.31Å; Y474-V478 HydrophobicContact CE1-CB 4.11Å; Y474-V478 HydrophobicContact CE1-CG1 4.23Å; Y474-V478 HydrophobicContact CE2-CB 4.25Å; Y474-V478 HydrophobicContact CE2-CG1 4.26Å; Y474-V478 HydrophobicContact CE2-CG2 4.17Å; Y474-V478 WeakPolarHBondContact O-CB 3.41Å; Y474-V478 PolarHBondContact O-N 3.23Å; Y474-E480 PolarHBondContact OH-O 3.19Å; Y474-N483 HydrophobicContact CE2-CB 4.27Å; Y474-N483 WeakPolarHBondContact CE2-O 3.49Å; Y474-N483 PolarHBondContact OH-N 3.49Å; Y474-F486 HydrophobicContact CD2-CB 3.84Å; Y474-F486 AromaticContact CD2-CD1 3.8Å; Y474-F486 HydrophobicContact CD2-CD1 3.8Å; Y474-F486 HydrophobicContact CD2-CD2 4.13Å; Y474-F486 HydrophobicContact CD2-CE1 4.34Å; Y474-F486 AromaticContact CD2-CG 3.66Å; Y474-F486 HydrophobicContact CD2-CG 3.66Å; Y474-F486 HydrophobicContact CE2-CB 3.91Å; Y474-F486 HydrophobicContact CE2-CD2 4.35Å; Y474-F486 HydrophobicContact CE2-CG 4.08Å
475N93.7Very high88.8Confident2 Ų228.4 Ų28.41%0.01116%0.159CC..Hα-helixtrans-71.4-26.6-172.9-71.5-74.6000112.8R241 I248 I471R241-N475 PolarHBondContact NH1-O 2.95Å; R241-N475 VanDerWaalsContact NH1-O 3.08Å; I248-N475 HydrophobicContact CD1-CB 4.32Å; I248-N475 HydrophobicContact CG2-CB 3.76Å; I471-N475 WeakPolarHBondContact CG2-ND2 3.42Å; I471-N475 WeakPolarHBondContact O-CB 3.37Å; I471-N475 PolarHBondContact O-N 2.91Å; I471-N475 VanDerWaalsContact O-N 3.09Å; I471-N475 PolarHBondContact O-ND2 2.53Å
476M93.4Very high88.6Confident5 Ų527.9 Ų27.93%0.02516%0.155CC..Hα-helixtrans-63.1-49.8171.5-179.6176.560.400110.6R241 L472 W473 Y474 A493 Q497 L498 V501R241-M476 PolarHBondContact NH2-O 2.86Å; L472-M476 WeakPolarHBondContact O-CB 3.48Å; L472-M476 PolarHBondContact O-N 2.97Å; W473-M476 HydrophobicContact CD2-CE 4.04Å; W473-M476 HydrophobicContact CE3-CE 3.78Å; W473-M476 HydrophobicContact CZ3-CE 4.03Å; Y474-M476 VanDerWaalsContact C-N 3.3Å; Y474-M476 PolarHBondContact O-N 3.44Å; M476-A493 HydrophobicContact CE-CB 3.34Å; M476-A493 HydrophobicContact SD-CB 4.33Å; M476-Q497 VanDerWaalsContact CG-CD 3.42Å; M476-Q497 HydrophobicContact CG-CG 3.67Å; M476-Q497 PolarHBondContact O-NE2 3.48Å; M476-Q497 HydrophobicContact SD-CB 4.48Å; M476-Q497 HydrophobicContact SD-CG 4.03Å; M476-L498 HydrophobicContact CE-CD1 4.1Å; M476-L498 HydrophobicContact SD-CB 4.26Å; M476-L498 HydrophobicContact SD-CD1 4.07Å; M476-V501 HydrophobicContact CB-CG2 4.38Å; M476-V501 HydrophobicContact CG-CG2 4Å; M476-V501 HydrophobicContact SD-CB 4.35Å; M476-V501 HydrophobicContact SD-CG2 3.87Å
477L90.8Very high88.4Confident43 Ų4326.8 Ų26.823%0.22515%0.146CC..Hα-helixtrans-94.3-27.1-166.8-60.1175.9000114.5W473 Y474 F486 P491 A493W473-L477 HydrophobicContact CD2-CD1 4.39Å; W473-L477 HydrophobicContact CG-CD1 4.27Å; W473-L477 VanDerWaalsContact NE1-CD1 3.35Å; W473-L477 WeakPolarHBondContact O-CG 3.49Å; W473-L477 PolarHBondContact O-N 3.07Å; Y474-L477 PolarHBondContact O-N 3.19Å; L477-F486 HydrophobicContact CB-CZ 4.44Å; L477-F486 HydrophobicContact CD1-CZ 4.31Å; L477-P491 HydrophobicContact CD1-CB 4.27Å; L477-A493 HydrophobicContact CD1-CB 4.4Å; L477-A493 HydrophobicContact CD2-CB 4.06Å
478V89.1Confident88Confident17 Ų1730.5 Ų30.510%0.10317%0.166CC..  trans-110.5131.9-171.2-175.20000110.8R241 Y474 E480 F486R241-V478 PolarHBondContact NH1-O 3.4Å; Y474-V478 HydrophobicContact CD1-CB 4.49Å; Y474-V478 HydrophobicContact CD2-CG2 4.31Å; Y474-V478 HydrophobicContact CE1-CB 4.11Å; Y474-V478 HydrophobicContact CE1-CG1 4.23Å; Y474-V478 HydrophobicContact CE2-CB 4.25Å; Y474-V478 HydrophobicContact CE2-CG1 4.26Å; Y474-V478 HydrophobicContact CE2-CG2 4.17Å; Y474-V478 WeakPolarHBondContact O-CB 3.41Å; Y474-V478 PolarHBondContact O-N 3.23Å; V478-E480 HydrophobicContact CG1-CB 4.01Å; V478-E480 WeakPolarHBondContact CG1-O 3.14Å; V478-F486 HydrophobicContact CG2-CD2 3.49Å; V478-F486 VanDerWaalsContact CG2-CD2 3.49Å; V478-F486 HydrophobicContact CG2-CE2 3.23Å; V478-F486 HydrophobicContact CG2-CZ 4.1Å
479A78.4Confident87.6Confident68 Ų6837.5 Ų37.556%0.56220%0.203SC*.  trans-89.2-28.9171.300000112.4Q244Q244-A479 PolarHBondContact NE2-O 3.46Å
480E78.1Confident87.3Confident128 Ų12839.4 Ų39.460%0.59822%0.215SC*.  trans-71.5140.8-177.6-64.3179.6178.800113Y474 V478Y474-E480 PolarHBondContact OH-O 3.19Å; V478-E480 HydrophobicContact CG1-CB 4.01Å; V478-E480 WeakPolarHBondContact CG1-O 3.14Å
481P69.3Low87.2Confident61 Ų6142.4 Ų42.440%0.39624%0.235SC..SBendtrans-82.3-14.3-179.731.5-34.6000114.2P454P454-P481 WeakPolarHBondContact CD-O 3.39Å; P454-P481 WeakPolarHBondContact CG-O 3.46Å
482R72.2Confident87.1Confident114 Ų11445.2 Ų45.243%0.4325%0.254SS..  trans-128.370.4-173.9-65.2-158.9-159-170.88.5113.3E449 T451E449-R482 IonicContact OE1-CZ 2.95Å; E449-R482 IonicContact OE1-NH1 2.82Å; E449-R482 IonicContact OE1-NH2 2.67Å; E449-R482 PolarHBondContact OE1-NH2 3.34Å; T451-R482 VanDerWaalsContact CG2-CZ 3.47Å; T451-R482 VanDerWaalsContact CG2-NH2 3.26Å
483N82.3Confident87.1Confident49 Ų4945 Ų4526%0.26225%0.253SS..  trans-126.982.6162.9-175.71.9000110.4Y474 S485 F486Y474-N483 HydrophobicContact CE2-CB 4.27Å; Y474-N483 WeakPolarHBondContact CE2-O 3.49Å; Y474-N483 PolarHBondContact OH-N 3.49Å; N483-S485 VanDerWaalsContact C-N 3.28Å; N483-S485 PolarHBondContact O-N 3.38Å; N483-S485 PolarHBondContact OD1-N 2.91Å; N483-S485 PolarHBondContact OD1-OG 3.26Å; N483-F486 WeakPolarHBondContact O-CB 3.26Å; N483-F486 PolarHBondContact O-N 3.13Å; N483-F486 PolarHBondContact OD1-N 2.91Å
484L83.7Confident87Confident10 Ų1052 Ų525%0.05228%0.279CS..THydrogen-bonded Turntrans-74.7-23.2-177.2-55-177.7000112.2V368 E370 L430 P454 F486V368-L484 HydrophobicContact CB-CD1 4.25Å; V368-L484 HydrophobicContact CG1-CD1 3.66Å; V368-L484 HydrophobicContact CG2-CD1 3.51Å; E370-L484 WeakPolarHBondContact OE1-CB 3.42Å; L430-L484 HydrophobicContact CB-CB 4.19Å; L430-L484 HydrophobicContact CB-CD2 3.86Å; P454-L484 HydrophobicContact CB-CD2 3.89Å; P454-L484 HydrophobicContact CG-CD2 4.04Å; L484-F486 VanDerWaalsContact C-N 3.25Å; L484-F486 PolarHBondContact O-N 3.5Å
485S84.6Confident87Confident44 Ų4452.6 Ų52.631%0.30828%0.282SS..THydrogen-bonded Turntrans-79.67.3174.973.40000115.6E370 N483 F487 L488E370-S485 PolarHBondContact OE1-N 2.78Å; E370-S485 VanDerWaalsContact OE1-N 3.14Å; N483-S485 VanDerWaalsContact C-N 3.28Å; N483-S485 PolarHBondContact O-N 3.38Å; N483-S485 PolarHBondContact OD1-N 2.91Å; N483-S485 PolarHBondContact OD1-OG 3.26Å; S485-F487 VanDerWaalsContact C-N 3.29Å; S485-F487 PolarHBondContact O-N 3.08Å; S485-F487 VanDerWaalsContact O-N 3.13Å; S485-L488 WeakPolarHBondContact O-CB 2.97Å; S485-L488 WeakPolarHBondContact O-CG 3.4Å; S485-L488 PolarHBondContact O-N 3.04Å
486F89.4Confident87Confident7 Ų755 Ų553%0.03130%0.301CS..G310 helixtrans-50.4-41.2-172.9173.6-101.2000114.7L430 W473 Y474 L477 V478 N483 L484 L488 N489 P491L430-F486 HydrophobicContact CD1-CB 4.08Å; W473-F486 AromaticContact CD1-CE1 3.8Å; W473-F486 AromaticContact CD1-CZ 3.84Å; Y474-F486 HydrophobicContact CD2-CB 3.84Å; Y474-F486 AromaticContact CD2-CD1 3.8Å; Y474-F486 HydrophobicContact CD2-CD1 3.8Å; Y474-F486 HydrophobicContact CD2-CD2 4.13Å; Y474-F486 HydrophobicContact CD2-CE1 4.34Å; Y474-F486 AromaticContact CD2-CG 3.66Å; Y474-F486 HydrophobicContact CD2-CG 3.66Å; Y474-F486 HydrophobicContact CE2-CB 3.91Å; Y474-F486 HydrophobicContact CE2-CD2 4.35Å; Y474-F486 HydrophobicContact CE2-CG 4.08Å; L477-F486 HydrophobicContact CB-CZ 4.44Å; L477-F486 HydrophobicContact CD1-CZ 4.31Å; V478-F486 HydrophobicContact CG2-CD2 3.49Å; V478-F486 VanDerWaalsContact CG2-CD2 3.49Å; V478-F486 HydrophobicContact CG2-CE2 3.23Å; V478-F486 HydrophobicContact CG2-CZ 4.1Å; N483-F486 WeakPolarHBondContact O-CB 3.26Å; N483-F486 PolarHBondContact O-N 3.13Å; N483-F486 PolarHBondContact OD1-N 2.91Å; L484-F486 VanDerWaalsContact C-N 3.25Å; L484-F486 PolarHBondContact O-N 3.5Å; F486-L488 VanDerWaalsContact C-N 3.25Å; F486-L488 PolarHBondContact O-N 3.42Å; F486-N489 CarbonylContact O-C 3.55Å; F486-N489 PolarHBondContact O-N 2.96Å; F486-P491 HydrophobicContact CE2-CG 3.96Å
487F89.8Confident87Confident6 Ų657.6 Ų57.63%0.02631%0.314CS..G310 helixtrans-79.20-176.9-72.2-72.9000114.8L424 E428 L430 S470 W473 S485 P490 W539L424-F487 HydrophobicContact CD2-CB 3.78Å; L424-F487 WeakPolarHBondContact CD2-O 3.44Å; E428-F487 HydrophobicContact CB-CB 3.9Å; E428-F487 HydrophobicContact CB-CD1 4.48Å; E428-F487 HydrophobicContact CB-CD2 4.08Å; E428-F487 HydrophobicContact CB-CG 3.89Å; E428-F487 HydrophobicContact CG-CB 4.42Å; E428-F487 HydrophobicContact CG-CD1 4.22Å; E428-F487 HydrophobicContact CG-CG 4.13Å; E428-F487 WeakPolarHBondContact O-CD2 3.19Å; L430-F487 HydrophobicContact CD1-CD2 4.1Å; L430-F487 HydrophobicContact CD1-CE2 4.01Å; L430-F487 HydrophobicContact CD2-CE2 4.12Å; L430-F487 HydrophobicContact CG-CD2 4.13Å; L430-F487 HydrophobicContact CG-CE2 4.12Å; S470-F487 VanDerWaalsContact CB-CZ 3.48Å; S470-F487 WeakPolarHBondContact O-CZ 3.17Å; W473-F487 HydrophobicContact CB-CE1 4.43Å; W473-F487 HydrophobicContact CB-CZ 4.43Å; S485-F487 VanDerWaalsContact C-N 3.29Å; S485-F487 PolarHBondContact O-N 3.08Å; S485-F487 VanDerWaalsContact O-N 3.13Å; F487-P490 HydrophobicContact CD1-CB 4.27Å; F487-W539 HydrophobicContact CD1-CD2 4.34Å; F487-W539 AromaticContact CD1-CE2 3.87Å; F487-W539 HydrophobicContact CD1-CZ2 4.22Å; F487-W539 AromaticContact CD1-NE1 3.79Å; F487-W539 AromaticContact CE1-CD2 3.9Å; F487-W539 HydrophobicContact CE1-CD2 3.9Å; F487-W539 AromaticContact CE1-CE2 3.59Å; F487-W539 HydrophobicContact CE1-CE3 4.25Å; F487-W539 HydrophobicContact CE1-CG 4.46Å; F487-W539 HydrophobicContact CE1-CH2 4.04Å; F487-W539 AromaticContact CE1-CZ2 3.68Å; F487-W539 HydrophobicContact CE1-CZ2 3.68Å; F487-W539 HydrophobicContact CE1-CZ3 4.31Å; F487-W539 HydrophobicContact CZ-CH2 4.48Å; F487-W539 HydrophobicContact CZ-CZ2 4.4Å
488L86.3Confident87.2Confident78 Ų7855.7 Ų55.741%0.40830%0.304SS..G310 helixtrans-68.4-39.5169.2-65.3177.9000111.1P423 L424 S485 F486P423-L488 HydrophobicContact CB-CD2 4.41Å; P423-L488 HydrophobicContact CG-CD2 4Å; L424-L488 HydrophobicContact CD1-CD2 4.14Å; L424-L488 HydrophobicContact CD1-CG 4.49Å; L424-L488 HydrophobicContact CD2-CD2 4Å; L424-L488 HydrophobicContact CG-CD2 3.98Å; S485-L488 WeakPolarHBondContact O-CB 2.97Å; S485-L488 WeakPolarHBondContact O-CG 3.4Å; S485-L488 PolarHBondContact O-N 3.04Å; F486-L488 VanDerWaalsContact C-N 3.25Å; F486-L488 PolarHBondContact O-N 3.42Å
489N87.3Confident87.5Confident149 Ų14955.6 Ų55.680%0.79730%0.304SS*.SBendtrans-137.170.8177.2-71.4-41000109.9F486 P491F486-N489 CarbonylContact O-C 3.55Å; F486-N489 PolarHBondContact O-N 2.96Å; N489-P491 WeakPolarHBondContact O-CD 3.38Å
490P89.9Confident88.2Confident40 Ų4057.2 Ų57.226%0.2630%0.299SS..PPolyproline II helixtrans-68124.6-173.726.6-32.4000110.6F487 W539F487-P490 HydrophobicContact CD1-CB 4.27Å; P490-W539 HydrophobicContact CB-CB 3.74Å; P490-W539 HydrophobicContact CB-CG 4.03Å; P490-W539 HydrophobicContact CG-CB 3.8Å; P490-W539 HydrophobicContact CG-CG 4.03Å
491P92.5Very high89Confident64 Ų6451.3 Ų51.342%0.41627%0.272SS..PPolyproline II helixtrans-63.9156176.7-1931.3000112.2W473 L477 F486 N489W473-P491 PolarHBondContact NE1-O 3.17Å; L477-P491 HydrophobicContact CD1-CB 4.27Å; F486-P491 HydrophobicContact CE2-CG 3.96Å; N489-P491 WeakPolarHBondContact O-CD 3.38Å
492C93.5Very high90.3Very high58 Ų5848.5 Ų48.539%0.39225%0.254SS..PPolyproline II helixtrans-75.5144.4170.8-62.80000111L536 I537C492-L536 HydrophobicContact CB-CB 3.97Å; C492-L536 HydrophobicContact CB-CD2 4.45Å; C492-I537 CarbonylContact C-O 3.54Å; C492-I537 WeakPolarHBondContact CA-O 3.34Å
493A94.3Very high91.4Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-93.4142.2174.100000111.2W473 M476 L477 L498 L536 I537W473-A493 HydrophobicContact CH2-CB 3.54Å; W473-A493 HydrophobicContact CZ2-CB 3.64Å; W473-A493 HydrophobicContact CZ3-CB 4.13Å; M476-A493 HydrophobicContact CE-CB 3.34Å; M476-A493 HydrophobicContact SD-CB 4.33Å; L477-A493 HydrophobicContact CD1-CB 4.4Å; L477-A493 HydrophobicContact CD2-CB 4.06Å; A493-L498 HydrophobicContact CB-CB 4.48Å; A493-L536 CarbonylContact O-C 3.33Å; A493-L536 WeakPolarHBondContact O-CA 3.35Å; A493-I537 PolarHBondContact N-O 3.47Å; A493-I537 PolarHBondContact O-N 3.44Å
494R94.8Very high91.9Very high147 Ų14743.8 Ų43.856%0.55524%0.236SC*.EExtended strand (participates in β ladder)trans-75.5139.8168.9-66.2-177.7-176.2-177.52109.7A496 Q497 L498 L536R494-A496 VanDerWaalsContact C-N 3.29Å; R494-A496 PolarHBondContact O-N 3.24Å; R494-Q497 WeakPolarHBondContact O-CB 3.45Å; R494-Q497 PolarHBondContact O-N 3.25Å; R494-L498 PolarHBondContact O-N 3.36Å; R494-L536 HydrophobicContact CG-CD2 3.79Å
495W94.7Very high92.5Very high15 Ų1543.3 Ų43.36%0.05723%0.233CC..Hα-helixtrans-58-40.3178.6174.3-117.4000113Q497 L498 S499 L502 L519 L522 G523 L526 L527 G535 I537W495-Q497 PolarHBondContact O-N 3.4Å; W495-L498 HydrophobicContact CE3-CB 4.45Å; W495-L498 HydrophobicContact CE3-CD2 4.44Å; W495-L498 HydrophobicContact CZ3-CD2 4.46Å; W495-L498 PolarHBondContact O-N 3.47Å; W495-S499 WeakPolarHBondContact O-CB 3.44Å; W495-S499 PolarHBondContact O-N 2.9Å; W495-S499 PolarHBondContact O-OG 2.94Å; W495-L502 HydrophobicContact CH2-CD1 4.17Å; W495-L502 HydrophobicContact CZ3-CD1 3.98Å; W495-L519 HydrophobicContact CZ2-CB 4.23Å; W495-L519 WeakPolarHBondContact CZ2-O 3.49Å; W495-L522 HydrophobicContact CH2-CB 3.84Å; W495-G523 VanDerWaalsContact CZ2-CA 3.42Å; W495-L526 HydrophobicContact CE3-CD1 4.4Å; W495-L526 HydrophobicContact CZ3-CD1 3.9Å; W495-L527 HydrophobicContact CB-CD1 3.84Å; W495-L527 HydrophobicContact CG-CD1 4.14Å; W495-G535 PolarHBondContact N-O 3.14Å; W495-I537 HydrophobicContact CB-CD1 4.06Å; W495-I537 HydrophobicContact CD2-CD1 4.36Å; W495-I537 HydrophobicContact CE3-CD1 3.57Å; W495-I537 HydrophobicContact CZ3-CD1 4.43Å
496A92.9Very high92.9Very high51 Ų5141.2 Ų41.242%0.42122%0.219SC..Hα-helixtrans-54.2-37.1175.200000112.4R494 S499 P533R494-A496 VanDerWaalsContact C-N 3.29Å; R494-A496 PolarHBondContact O-N 3.24Å; A496-S499 PolarHBondContact O-OG 3.46Å; A496-S499 VanDerWaalsContact O-OG 3.07Å; A496-P533 HydrophobicContact CB-CB 4.4Å; A496-P533 WeakPolarHBondContact CB-O 3.25Å; A496-P533 PolarHBondContact N-O 3.18Å
497Q93.2Very high92.9Very high61 Ų6143.3 Ų43.329%0.28523%0.234SC..Hα-helixtrans-81.1-44.1178.9-164.7-178.413.300112.1M476 R494 W495 S499 E500 V501M476-Q497 VanDerWaalsContact CG-CD 3.42Å; M476-Q497 HydrophobicContact CG-CG 3.67Å; M476-Q497 PolarHBondContact O-NE2 3.48Å; M476-Q497 HydrophobicContact SD-CB 4.48Å; M476-Q497 HydrophobicContact SD-CG 4.03Å; R494-Q497 WeakPolarHBondContact O-CB 3.45Å; R494-Q497 PolarHBondContact O-N 3.25Å; W495-Q497 PolarHBondContact O-N 3.4Å; Q497-S499 PolarHBondContact O-N 3.12Å; Q497-E500 PolarHBondContact O-N 3.48Å; Q497-V501 WeakPolarHBondContact O-CG2 3.39Å; Q497-V501 PolarHBondContact O-N 3.4Å
498L95.1Very high92.9Very high3 Ų345.8 Ų45.82%0.01625%0.252CS..Hα-helixtrans-66.6-38.4-179.3-177.863.2000112.2W473 M476 A493 R494 W495 E500 V501 L502 L526 I537 F542W473-L498 HydrophobicContact CZ3-CD1 3.97Å; W473-L498 HydrophobicContact CZ3-CD2 4.23Å; M476-L498 HydrophobicContact CE-CD1 4.1Å; M476-L498 HydrophobicContact SD-CB 4.26Å; M476-L498 HydrophobicContact SD-CD1 4.07Å; A493-L498 HydrophobicContact CB-CB 4.48Å; R494-L498 PolarHBondContact O-N 3.36Å; W495-L498 HydrophobicContact CE3-CB 4.45Å; W495-L498 HydrophobicContact CE3-CD2 4.44Å; W495-L498 HydrophobicContact CZ3-CD2 4.46Å; W495-L498 PolarHBondContact O-N 3.47Å; L498-E500 VanDerWaalsContact C-N 3.32Å; L498-E500 PolarHBondContact O-N 3.36Å; L498-V501 PolarHBondContact O-N 2.82Å; L498-L502 HydrophobicContact CD1-CG 4.43Å; L498-L502 HydrophobicContact CG-CD1 4.17Å; L498-L502 HydrophobicContact CG-CG 4.33Å; L498-L502 WeakPolarHBondContact O-CB 3.37Å; L498-L502 VanDerWaalsContact O-CG 3.29Å; L498-L502 WeakPolarHBondContact O-CG 3.41Å; L498-L502 PolarHBondContact O-N 3.05Å; L498-L526 HydrophobicContact CD2-CD1 4.11Å; L498-I537 HydrophobicContact CD2-CB 4.49Å; L498-I537 HydrophobicContact CD2-CD1 3.63Å; L498-I537 HydrophobicContact CD2-CG2 4.26Å; L498-F542 HydrophobicContact CD1-CD2 4.34Å; L498-F542 HydrophobicContact CD1-CE2 3.93Å; L498-F542 HydrophobicContact CD1-CZ 4.38Å; L498-F542 HydrophobicContact CD2-CD2 4.1Å; L498-F542 HydrophobicContact CD2-CE2 4.35Å
499S94.6Very high93Very high15 Ų1543 Ų4311%0.10524%0.238CC..Hα-helixtrans-61.9-39.5178.357.30000112.2W495 A496 Q497 L502 S503 L519W495-S499 WeakPolarHBondContact O-CB 3.44Å; W495-S499 PolarHBondContact O-N 2.9Å; W495-S499 PolarHBondContact O-OG 2.94Å; A496-S499 PolarHBondContact O-OG 3.46Å; A496-S499 VanDerWaalsContact O-OG 3.07Å; Q497-S499 PolarHBondContact O-N 3.12Å; S499-L502 PolarHBondContact O-N 3.43Å; S499-S503 PolarHBondContact O-N 2.92Å; S499-L519 WeakPolarHBondContact O-CD2 3.43Å
500E93.6Very high93.1Very high101 Ų10136.4 Ų36.447%0.47220%0.203SC..Hα-helixtrans-63.7-49.4173.6-170.5180-151.800111.1Q497 L498 L502 S503 W504Q497-E500 PolarHBondContact O-N 3.48Å; L498-E500 VanDerWaalsContact C-N 3.32Å; L498-E500 PolarHBondContact O-N 3.36Å; E500-L502 VanDerWaalsContact C-N 3.3Å; E500-L502 PolarHBondContact O-N 3.29Å; E500-S503 WeakPolarHBondContact O-CB 3.5Å; E500-S503 PolarHBondContact O-N 3.13Å; E500-S503 VanDerWaalsContact O-N 3.08Å; E500-W504 HydrophobicContact CG-CD2 4.32Å; E500-W504 HydrophobicContact CG-CH2 4.29Å; E500-W504 HydrophobicContact CG-CZ2 3.53Å; E500-W504 VanDerWaalsContact O-CG 3.31Å; E500-W504 PolarHBondContact O-N 2.93Å; E500-W504 WeakPolarHBondContact OE1-CZ2 3.49Å
501V95.2Very high92.8Very high5 Ų542.3 Ų42.33%0.0323%0.225CC..Hα-helixtrans-61.1-37.8177.8174.70000112I248 L472 M476 Q497 L498 W504 Q505I248-V501 HydrophobicContact CD1-CG1 4.31Å; I248-V501 HydrophobicContact CD1-CG2 4.14Å; L472-V501 HydrophobicContact CD2-CG1 3.99Å; M476-V501 HydrophobicContact CB-CG2 4.38Å; M476-V501 HydrophobicContact CG-CG2 4Å; M476-V501 HydrophobicContact SD-CB 4.35Å; M476-V501 HydrophobicContact SD-CG2 3.87Å; Q497-V501 WeakPolarHBondContact O-CG2 3.39Å; Q497-V501 PolarHBondContact O-N 3.4Å; L498-V501 PolarHBondContact O-N 2.82Å; V501-W504 HydrophobicContact CB-CE3 4.4Å; V501-W504 HydrophobicContact CG2-CE3 3.96Å; V501-W504 HydrophobicContact CG2-CZ3 3.9Å; V501-W504 WeakPolarHBondContact O-CB 3.41Å; V501-W504 PolarHBondContact O-N 3.08Å; V501-Q505 WeakPolarHBondContact O-CG 3.28Å; V501-Q505 PolarHBondContact O-N 3.32Å; V501-Q505 PolarHBondContact O-NE2 3.45Å; V501-Q505 VanDerWaalsContact O-NE2 3.12Å
502L95.5Very high92.6Very high2 Ų243 Ų431%0.0122%0.219CC..Hα-helixtrans-63-46173.5-74.9172.9000110.8W495 L498 S499 E500 W504 Q505 F506 L514 F542 F554 W555 I558W495-L502 HydrophobicContact CH2-CD1 4.17Å; W495-L502 HydrophobicContact CZ3-CD1 3.98Å; L498-L502 HydrophobicContact CD1-CG 4.43Å; L498-L502 HydrophobicContact CG-CD1 4.17Å; L498-L502 HydrophobicContact CG-CG 4.33Å; L498-L502 WeakPolarHBondContact O-CB 3.37Å; L498-L502 VanDerWaalsContact O-CG 3.29Å; L498-L502 WeakPolarHBondContact O-CG 3.41Å; L498-L502 PolarHBondContact O-N 3.05Å; S499-L502 PolarHBondContact O-N 3.43Å; E500-L502 VanDerWaalsContact C-N 3.3Å; E500-L502 PolarHBondContact O-N 3.29Å; L502-W504 VanDerWaalsContact C-N 3.27Å; L502-W504 PolarHBondContact O-N 3.38Å; L502-Q505 WeakPolarHBondContact O-CB 3.33Å; L502-Q505 PolarHBondContact O-N 3.07Å; L502-F506 WeakPolarHBondContact O-CD2 3.22Å; L502-F506 PolarHBondContact O-N 2.59Å; L502-L514 HydrophobicContact CB-CD1 4.15Å; L502-F542 HydrophobicContact CD2-CE2 4.43Å; L502-F554 HydrophobicContact CD1-CE1 4.12Å; L502-F554 HydrophobicContact CD1-CZ 4.15Å; L502-F554 HydrophobicContact CD2-CE1 4.27Å; L502-W555 HydrophobicContact CD2-CE3 4.39Å; L502-W555 HydrophobicContact CD2-CZ3 4.12Å; L502-I558 HydrophobicContact CD2-CG2 4.41Å
503S95.4Very high92.5Very high22 Ų2241 Ų4115%0.15421%0.209CC..Hα-helixtrans-58-41.3176.1-166.40000111.8S499 E500 Q505 F506 S507 L514S499-S503 PolarHBondContact O-N 2.92Å; E500-S503 WeakPolarHBondContact O-CB 3.5Å; E500-S503 PolarHBondContact O-N 3.13Å; E500-S503 VanDerWaalsContact O-N 3.08Å; S503-Q505 VanDerWaalsContact C-N 3.28Å; S503-Q505 PolarHBondContact O-N 3.38Å; S503-F506 PolarHBondContact O-N 2.96Å; S503-S507 PolarHBondContact O-N 2.81Å; S503-S507 PolarHBondContact O-OG 3.16Å; S503-L514 PolarHBondContact OG-N 3.4Å; S503-L514 PolarHBondContact OG-O 3.35Å
504W94.4Very high92.4Very high41 Ų4141.7 Ų41.716%0.15521%0.212CC..Hα-helixtrans-59.2-33.4174-65.9-11.9000113.8I248 G249 E500 V501 L502 F506 S507 S508I248-W504 HydrophobicContact CD1-CE3 4.44Å; I248-W504 HydrophobicContact CD1-CZ3 4.18Å; I248-W504 HydrophobicContact CG1-CE3 4.33Å; I248-W504 HydrophobicContact CG1-CZ3 4.32Å; G249-W504 WeakPolarHBondContact O-CB 3.27Å; E500-W504 HydrophobicContact CG-CD2 4.32Å; E500-W504 HydrophobicContact CG-CH2 4.29Å; E500-W504 HydrophobicContact CG-CZ2 3.53Å; E500-W504 VanDerWaalsContact O-CG 3.31Å; E500-W504 PolarHBondContact O-N 2.93Å; E500-W504 WeakPolarHBondContact OE1-CZ2 3.49Å; V501-W504 HydrophobicContact CB-CE3 4.4Å; V501-W504 HydrophobicContact CG2-CE3 3.96Å; V501-W504 HydrophobicContact CG2-CZ3 3.9Å; V501-W504 WeakPolarHBondContact O-CB 3.41Å; V501-W504 PolarHBondContact O-N 3.08Å; L502-W504 VanDerWaalsContact C-N 3.27Å; L502-W504 PolarHBondContact O-N 3.38Å; W504-F506 VanDerWaalsContact C-N 3.27Å; W504-F506 PolarHBondContact O-N 3.47Å; W504-S507 WeakPolarHBondContact CA-OG 3.43Å; W504-S507 PolarHBondContact O-N 3.19Å; W504-S507 PolarHBondContact O-OG 2.85Å; W504-S508 VanDerWaalsContact O-CB 3.26Å; W504-S508 WeakPolarHBondContact O-CB 3.4Å; W504-S508 PolarHBondContact O-N 2.76Å; W504-S508 PolarHBondContact O-OG 3.19Å
505Q94.8Very high92.3Very high0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-64.8-33.8175.9-56.3-46-72.600112I248 L472 V501 L502 S503 S508 V509 W555 L562I248-Q505 PolarHBondContact O-NE2 3.15Å; L472-Q505 HydrophobicContact CD1-CG 4.28Å; V501-Q505 WeakPolarHBondContact O-CG 3.28Å; V501-Q505 PolarHBondContact O-N 3.32Å; V501-Q505 PolarHBondContact O-NE2 3.45Å; V501-Q505 VanDerWaalsContact O-NE2 3.12Å; L502-Q505 WeakPolarHBondContact O-CB 3.33Å; L502-Q505 PolarHBondContact O-N 3.07Å; S503-Q505 VanDerWaalsContact C-N 3.28Å; S503-Q505 PolarHBondContact O-N 3.38Å; Q505-S508 PolarHBondContact O-OG 3.09Å; Q505-V509 WeakPolarHBondContact O-CG2 3.45Å; Q505-W555 HydrophobicContact CG-CH2 3.87Å; Q505-W555 HydrophobicContact CG-CZ3 4.04Å; Q505-L562 HydrophobicContact CB-CD1 3.79Å
506F93.7Very high92.1Very high0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-79.4-43176.7-74.3-100.6000111.4L502 S503 W504 S508 V509 T510 R512 L514 I558 I561 L562 I565 W573 F581L502-F506 WeakPolarHBondContact O-CD2 3.22Å; L502-F506 PolarHBondContact O-N 2.59Å; S503-F506 PolarHBondContact O-N 2.96Å; W504-F506 VanDerWaalsContact C-N 3.27Å; W504-F506 PolarHBondContact O-N 3.47Å; F506-S508 VanDerWaalsContact C-N 3.31Å; F506-S508 PolarHBondContact O-N 2.98Å; F506-V509 PolarHBondContact O-N 3.33Å; F506-T510 WeakPolarHBondContact O-CA 3.37Å; F506-T510 WeakPolarHBondContact O-CB 3.5Å; F506-T510 WeakPolarHBondContact O-CG2 3.34Å; F506-T510 PolarHBondContact O-N 3.4Å; F506-T510 PolarHBondContact O-OG1 3.27Å; F506-R512 CarbonylContact C-O 3.52Å; F506-L514 HydrophobicContact CB-CG 4.42Å; F506-L514 HydrophobicContact CD1-CD2 4.05Å; F506-L514 HydrophobicContact CD2-CD1 3.76Å; F506-L514 HydrophobicContact CD2-CD2 3.84Å; F506-L514 HydrophobicContact CD2-CG 3.68Å; F506-L514 HydrophobicContact CE1-CD2 4.15Å; F506-L514 HydrophobicContact CE2-CD1 3.85Å; F506-L514 HydrophobicContact CE2-CD2 3.97Å; F506-L514 HydrophobicContact CE2-CG 4.1Å; F506-L514 HydrophobicContact CG-CD2 3.9Å; F506-L514 HydrophobicContact CG-CG 3.99Å; F506-L514 HydrophobicContact CZ-CD2 4.14Å; F506-I558 HydrophobicContact CE2-CG2 3.95Å; F506-I558 HydrophobicContact CZ-CG2 4.23Å; F506-I561 HydrophobicContact CE1-CG2 4.46Å; F506-L562 HydrophobicContact CB-CD2 4.26Å; F506-L562 HydrophobicContact CD1-CD2 3.43Å; F506-L562 VanDerWaalsContact CD1-CD2 3.43Å; F506-L562 HydrophobicContact CD1-CG 4.35Å; F506-L562 HydrophobicContact CD2-CD1 4.47Å; F506-L562 HydrophobicContact CD2-CD2 3.86Å; F506-L562 HydrophobicContact CD2-CG 4.39Å; F506-L562 HydrophobicContact CE1-CD2 3.56Å; F506-L562 HydrophobicContact CE1-CG 3.99Å; F506-L562 HydrophobicContact CE2-CD1 4.19Å; F506-L562 HydrophobicContact CE2-CD2 3.96Å; F506-L562 HydrophobicContact CE2-CG 4.03Å; F506-L562 HydrophobicContact CG-CD2 3.59Å; F506-L562 HydrophobicContact CZ-CD1 4.43Å; F506-L562 HydrophobicContact CZ-CD2 3.8Å; F506-L562 HydrophobicContact CZ-CG 3.8Å; F506-I565 HydrophobicContact CD1-CD1 4.02Å; F506-I565 HydrophobicContact CE1-CD1 3.6Å; F506-W573 HydrophobicContact CB-CZ2 4.4Å; F506-W573 AromaticContact CD1-CE2 3.94Å; F506-W573 HydrophobicContact CD1-CH2 4.03Å; F506-W573 AromaticContact CD1-CZ2 3.46Å; F506-W573 HydrophobicContact CD1-CZ2 3.46Å; F506-W573 VanDerWaalsContact CD1-CZ2 3.46Å; F506-W573 HydrophobicContact CE1-CH2 4.23Å; F506-W573 HydrophobicContact CE1-CZ2 4.11Å; F506-W573 HydrophobicContact CG-CZ2 4.2Å; F506-F581 AromaticContact CE1-CE2 3.95Å; F506-F581 HydrophobicContact CE1-CE2 3.95Å; F506-F581 HydrophobicContact CE1-CZ 4.22Å; F506-F581 HydrophobicContact CE2-CE2 4.48Å; F506-F581 AromaticContact CZ-CE2 3.71Å; F506-F581 HydrophobicContact CZ-CE2 3.71Å; F506-F581 AromaticContact CZ-CZ 3.69Å; F506-F581 HydrophobicContact CZ-CZ 3.69Å
507S90.4Very high92Very high51 Ų5142.9 Ų42.936%0.35723%0.228SC..Hα-helixtrans-74-17.5-178.764.30000114.4S503 W504 T510 R512S503-S507 PolarHBondContact O-N 2.81Å; S503-S507 PolarHBondContact O-OG 3.16Å; W504-S507 WeakPolarHBondContact CA-OG 3.43Å; W504-S507 PolarHBondContact O-N 3.19Å; W504-S507 PolarHBondContact O-OG 2.85Å; S507-T510 CarbonylContact C-O 3.46Å; S507-R512 PolarHBondContact N-O 2.88Å
508S87.9Confident92Very high58 Ų5840.2 Ų40.241%0.40622%0.215SC..Hα-helixtrans-85.6-21.7174.157.80000113.2W504 Q505 F506W504-S508 VanDerWaalsContact O-CB 3.26Å; W504-S508 WeakPolarHBondContact O-CB 3.4Å; W504-S508 PolarHBondContact O-N 2.76Å; W504-S508 PolarHBondContact O-OG 3.19Å; Q505-S508 PolarHBondContact O-OG 3.09Å; F506-S508 VanDerWaalsContact C-N 3.31Å; F506-S508 PolarHBondContact O-N 2.98Å
509V88.6Confident92Very high19 Ų1941.3 Ų41.312%0.11522%0.221CC..Hα-helixtrans-99.5-26.5178.3178.50000111.7Q505 F506 K566Q505-V509 WeakPolarHBondContact O-CG2 3.45Å; F506-V509 PolarHBondContact O-N 3.33Å; V509-K566 HydrophobicContact CG1-CB 3.87Å; V509-K566 HydrophobicContact CG1-CD 3.85Å; V509-K566 HydrophobicContact CG1-CG 3.9Å
510T89.7Confident91.8Very high11 Ų1144.4 Ų44.47%0.06724%0.236CC..SBendtrans-131.4174.6-17581.60000110.3F506 S507 R512 I565 L570 W573 N574F506-T510 WeakPolarHBondContact O-CA 3.37Å; F506-T510 WeakPolarHBondContact O-CB 3.5Å; F506-T510 WeakPolarHBondContact O-CG2 3.34Å; F506-T510 PolarHBondContact O-N 3.4Å; F506-T510 PolarHBondContact O-OG1 3.27Å; S507-T510 CarbonylContact C-O 3.46Å; T510-R512 VanDerWaalsContact C-N 3.25Å; T510-R512 PolarHBondContact O-N 2.84Å; T510-R512 PolarHBondContact OG1-N 3.35Å; T510-R512 PolarHBondContact OG1-O 3.32Å; T510-I565 HydrophobicContact CG2-CG2 3.8Å; T510-L570 HydrophobicContact CG2-CD1 3.79Å; T510-W573 VanDerWaalsContact OG1-CD1 3.26Å; T510-W573 PolarHBondContact OG1-NE1 2.91Å; T510-N574 WeakPolarHBondContact CB-OD1 3.44Å
511K84.7Confident91.8Very high164 Ų16440.3 Ų40.371%0.71322%0.217SC*.SBendtrans-78.9-4.1178.4-63.7-173.7176.6-174.40113.8N574K511-N574 HydrophobicContact CB-CB 4.21Å; K511-N574 PolarHBondContact N-OD1 3.35Å
512R87.3Confident91.7Very high78 Ų7840 Ų4029%0.29422%0.216SC..  trans-139.7147.2-179.270.7171.6-63135.1-5113F506 S507 T510 W573F506-R512 CarbonylContact C-O 3.52Å; S507-R512 PolarHBondContact N-O 2.88Å; T510-R512 VanDerWaalsContact C-N 3.25Å; T510-R512 PolarHBondContact O-N 2.84Å; T510-R512 PolarHBondContact OG1-N 3.35Å; T510-R512 PolarHBondContact OG1-O 3.32Å; R512-W573 WeakPolarHBondContact CD-O 3.43Å; R512-W573 HydrophobicContact CG-CG 4.43Å; R512-W573 HydrophobicContact CG-CZ2 4.48Å; R512-W573 PolarHBondContact O-NE1 3.11Å
513G91.3Very high91.5Very high17 Ų1740 Ų4018%0.17522%0.215CC..  trans-85.6-162.7171.300000113.2
514L93.4Very high91.3Very high14 Ų1442.4 Ų42.47%0.07322%0.224CC..  trans-87.7140.8172-62172.1000110.6L502 S503 F506 Q518 L519 L522 W573 F581L502-L514 HydrophobicContact CB-CD1 4.15Å; S503-L514 PolarHBondContact OG-N 3.4Å; S503-L514 PolarHBondContact OG-O 3.35Å; F506-L514 HydrophobicContact CB-CG 4.42Å; F506-L514 HydrophobicContact CD1-CD2 4.05Å; F506-L514 HydrophobicContact CD2-CD1 3.76Å; F506-L514 HydrophobicContact CD2-CD2 3.84Å; F506-L514 HydrophobicContact CD2-CG 3.68Å; F506-L514 HydrophobicContact CE1-CD2 4.15Å; F506-L514 HydrophobicContact CE2-CD1 3.85Å; F506-L514 HydrophobicContact CE2-CD2 3.97Å; F506-L514 HydrophobicContact CE2-CG 4.1Å; F506-L514 HydrophobicContact CG-CD2 3.9Å; F506-L514 HydrophobicContact CG-CG 3.99Å; F506-L514 HydrophobicContact CZ-CD2 4.14Å; L514-Q518 HydrophobicContact CB-CB 4.41Å; L514-Q518 HydrophobicContact CD2-CB 4.27Å; L514-L519 HydrophobicContact CB-CD2 3.79Å; L514-L519 HydrophobicContact CB-CG 3.92Å; L514-L519 HydrophobicContact CD1-CD2 3.74Å; L514-L519 HydrophobicContact CG-CD2 4.45Å; L514-L522 HydrophobicContact CD1-CD1 3.77Å; L514-W573 HydrophobicContact CD2-CH2 3.91Å; L514-W573 HydrophobicContact CD2-CZ2 4.11Å; L514-F581 HydrophobicContact CD2-CD2 3.78Å; L514-F581 HydrophobicContact CD2-CE2 3.6Å
515N91.3Very high91.1Very high61 Ų6141.7 Ų41.733%0.32622%0.222SC..  trans-90.7173.617469.827.8000112D517 Q518 L519N515-D517 VanDerWaalsContact C-N 3.31Å; N515-D517 PolarHBondContact O-N 3.14Å; N515-D517 PolarHBondContact OD1-N 2.52Å; N515-Q518 PolarHBondContact O-N 3.39Å; N515-Q518 WeakPolarHBondContact OD1-CB 3.42Å; N515-Q518 WeakPolarHBondContact OD1-CG 3.5Å; N515-Q518 PolarHBondContact OD1-N 3.26Å; N515-Q518 PolarHBondContact OD1-OE1 3.31Å; N515-L519 WeakPolarHBondContact O-CB 3.15Å; N515-L519 VanDerWaalsContact O-CG 3.26Å; N515-L519 WeakPolarHBondContact O-CG 3.45Å; N515-L519 PolarHBondContact O-N 2.96Å
516V91.4Very high90.8Very high101 Ų10141.9 Ų41.961%0.61222%0.223SC*.Hα-helixtrans-58.2-41.1-177178.20000112.2L519 N520V516-L519 PolarHBondContact O-N 3.07Å; V516-N520 WeakPolarHBondContact O-CB 3.18Å; V516-N520 PolarHBondContact O-N 3.43Å; V516-N520 PolarHBondContact O-ND2 2.86Å; V516-N520 PolarHBondContact O-OD1 3.21Å
517D90.1Very high90.6Very high77 Ų7744 Ų4441%0.41223%0.234SC..Hα-helixtrans-67.4-42.6-179.3-70.2-43.8000112.8N515 N520 M521 R586N515-D517 VanDerWaalsContact C-N 3.31Å; N515-D517 PolarHBondContact O-N 3.14Å; N515-D517 PolarHBondContact OD1-N 2.52Å; D517-N520 PolarHBondContact O-N 3Å; D517-M521 PolarHBondContact O-N 3.29Å; D517-R586 VanDerWaalsContact CG-NH2 3.31Å; D517-R586 IonicContact OD1-CZ 3.19Å; D517-R586 IonicContact OD1-NH1 2.74Å; D517-R586 PolarHBondContact OD1-NH1 2.92Å; D517-R586 IonicContact OD1-NH2 2.78Å; D517-R586 PolarHBondContact OD1-NH2 2.94Å; D517-R586 IonicContact OD2-NH2 3.21Å
518Q94.1Very high90.4Very high4 Ų442.6 Ų42.62%0.01923%0.228CC..Hα-helixtrans-63.5-43.3175.3-70.5166.4-22.200110.8L514 N515 M521 L522 M579 F581L514-Q518 HydrophobicContact CB-CB 4.41Å; L514-Q518 HydrophobicContact CD2-CB 4.27Å; N515-Q518 PolarHBondContact O-N 3.39Å; N515-Q518 WeakPolarHBondContact OD1-CB 3.42Å; N515-Q518 WeakPolarHBondContact OD1-CG 3.5Å; N515-Q518 PolarHBondContact OD1-N 3.26Å; N515-Q518 PolarHBondContact OD1-OE1 3.31Å; Q518-M521 PolarHBondContact O-N 2.9Å; Q518-L522 WeakPolarHBondContact O-CG 3.12Å; Q518-L522 PolarHBondContact O-N 3.01Å; Q518-M579 WeakPolarHBondContact CG-O 3.43Å; Q518-M579 PolarHBondContact NE2-O 3.27Å; Q518-F581 HydrophobicContact CB-CB 4.02Å; Q518-F581 HydrophobicContact CB-CD2 4.14Å; Q518-F581 HydrophobicContact CG-CB 4.16Å; Q518-F581 HydrophobicContact CG-CD2 4.24Å
519L94.1Very high90.1Very high26 Ų2645.2 Ų45.214%0.13624%0.243CC..Hα-helixtrans-63.7-46.1176.3-70.3174.2000111W495 S499 L514 N515 V516 M521 L522 G523W495-L519 HydrophobicContact CZ2-CB 4.23Å; W495-L519 WeakPolarHBondContact CZ2-O 3.49Å; S499-L519 WeakPolarHBondContact O-CD2 3.43Å; L514-L519 HydrophobicContact CB-CD2 3.79Å; L514-L519 HydrophobicContact CB-CG 3.92Å; L514-L519 HydrophobicContact CD1-CD2 3.74Å; L514-L519 HydrophobicContact CG-CD2 4.45Å; N515-L519 WeakPolarHBondContact O-CB 3.15Å; N515-L519 VanDerWaalsContact O-CG 3.26Å; N515-L519 WeakPolarHBondContact O-CG 3.45Å; N515-L519 PolarHBondContact O-N 2.96Å; V516-L519 PolarHBondContact O-N 3.07Å; L519-M521 VanDerWaalsContact C-N 3.28Å; L519-M521 PolarHBondContact O-N 3.44Å; L519-L522 CarbonylContact O-C 3.38Å; L519-L522 PolarHBondContact O-N 2.9Å; L519-G523 PolarHBondContact O-N 3.34Å
520N91.5Very high89.5Confident80 Ų8052 Ų5243%0.42828%0.279SS..Hα-helixtrans-57.1-42.3179.4-72.2-18000112.1V516 D517 L522 G523 E524V516-N520 WeakPolarHBondContact O-CB 3.18Å; V516-N520 PolarHBondContact O-N 3.43Å; V516-N520 PolarHBondContact O-ND2 2.86Å; V516-N520 PolarHBondContact O-OD1 3.21Å; D517-N520 PolarHBondContact O-N 3Å; N520-L522 PolarHBondContact O-N 3.47Å; N520-G523 PolarHBondContact O-N 2.48Å; N520-E524 WeakPolarHBondContact O-CB 3.39Å; N520-E524 PolarHBondContact O-N 3.32Å
521M92.9Very high89.1Confident15 Ų1553.3 Ų53.37%0.07429%0.291CS..Hα-helixtrans-62.4-42.8175.5-173.8-85.3174.800112.2D517 Q518 L519 E524 K525 F581 E605D517-M521 PolarHBondContact O-N 3.29Å; Q518-M521 PolarHBondContact O-N 2.9Å; L519-M521 VanDerWaalsContact C-N 3.28Å; L519-M521 PolarHBondContact O-N 3.44Å; M521-E524 PolarHBondContact O-N 3.42Å; M521-K525 WeakPolarHBondContact O-CB 3.42Å; M521-K525 PolarHBondContact O-N 3.39Å; M521-F581 HydrophobicContact CB-CB 4.49Å; M521-F581 HydrophobicContact SD-CB 4.16Å; M521-E605 VanDerWaalsContact CE-CD 3.4Å; M521-E605 HydrophobicContact CE-CG 4.14Å; M521-E605 VanDerWaalsContact CE-OE2 3.24Å; M521-E605 WeakPolarHBondContact CE-OE2 3.3Å
522L93.1Very high89.1Confident0 Ų048 Ų480%028%0.275CS..Hα-helixtrans-66.8-37.8176.5-67.5177.9000112.5W495 L514 Q518 L519 N520 K525 L526 F554 W557 I558 F581W495-L522 HydrophobicContact CH2-CB 3.84Å; L514-L522 HydrophobicContact CD1-CD1 3.77Å; Q518-L522 WeakPolarHBondContact O-CG 3.12Å; Q518-L522 PolarHBondContact O-N 3.01Å; L519-L522 CarbonylContact O-C 3.38Å; L519-L522 PolarHBondContact O-N 2.9Å; N520-L522 PolarHBondContact O-N 3.47Å; L522-K525 WeakPolarHBondContact O-CB 3.31Å; L522-K525 PolarHBondContact O-N 3.24Å; L522-L526 PolarHBondContact O-N 2.92Å; L522-F554 HydrophobicContact CB-CZ 4.48Å; L522-F554 HydrophobicContact CD2-CE2 3.99Å; L522-F554 HydrophobicContact CD2-CZ 4.15Å; L522-W557 HydrophobicContact CD2-CH2 3.98Å; L522-W557 HydrophobicContact CD2-CZ3 3.7Å; L522-I558 HydrophobicContact CD1-CD1 4.33Å; L522-I558 HydrophobicContact CD2-CD1 3.79Å; L522-F581 HydrophobicContact CD1-CD1 4.47Å; L522-F581 HydrophobicContact CD1-CD2 4.48Å; L522-F581 HydrophobicContact CD1-CG 4.39Å; L522-F581 HydrophobicContact CD2-CD1 3.59Å; L522-F581 HydrophobicContact CD2-CE1 3.89Å; L522-F581 HydrophobicContact CD2-CG 4.16Å; L522-F581 HydrophobicContact CG-CB 4.49Å; L522-F581 HydrophobicContact CG-CD1 4.17Å; L522-F581 HydrophobicContact CG-CG 4.23Å
523G91.6Very high89Confident0 Ų048.2 Ų48.20%029%0.286CS..Hα-helixtrans-64.4-46175.700000111.4W495 L519 N520 K525 L526 L527W495-G523 VanDerWaalsContact CZ2-CA 3.42Å; L519-G523 PolarHBondContact O-N 3.34Å; N520-G523 PolarHBondContact O-N 2.48Å; G523-K525 VanDerWaalsContact C-N 3.26Å; G523-K525 PolarHBondContact O-N 3.06Å; G523-L526 PolarHBondContact O-N 2.75Å; G523-L526 VanDerWaalsContact O-N 3.15Å; G523-L527 WeakPolarHBondContact O-CB 3.36Å; G523-L527 PolarHBondContact O-N 3.24Å
524E90.8Very high88.8Confident73 Ų7352.4 Ų52.434%0.34131%0.305SS..Hα-helixtrans-58.6-40.1172.9-173.7-175163.600111.4N520 M521 L526 G528N520-E524 WeakPolarHBondContact O-CB 3.39Å; N520-E524 PolarHBondContact O-N 3.32Å; M521-E524 PolarHBondContact O-N 3.42Å; E524-L526 VanDerWaalsContact C-N 3.27Å; E524-L526 PolarHBondContact O-N 3.47Å; E524-G528 WeakPolarHBondContact CA-O 3.17Å; E524-G528 CarbonylContact O-C 3.58Å; E524-G528 WeakPolarHBondContact O-CA 3.24Å; E524-G528 PolarHBondContact O-N 3.45Å
525K89.8Confident88.7Confident27 Ų2752.4 Ų52.412%0.11731%0.308CS..Hα-helixtrans-64.1-30.5178.3-148.2-175175.456.30113.4M521 L522 G523 I547 W557 E605M521-K525 WeakPolarHBondContact O-CB 3.42Å; M521-K525 PolarHBondContact O-N 3.39Å; L522-K525 WeakPolarHBondContact O-CB 3.31Å; L522-K525 PolarHBondContact O-N 3.24Å; G523-K525 VanDerWaalsContact C-N 3.26Å; G523-K525 PolarHBondContact O-N 3.06Å; K525-I547 HydrophobicContact CD-CD1 3.67Å; K525-I547 HydrophobicContact CG-CD1 3.74Å; K525-I547 HydrophobicContact CG-CG1 4.37Å; K525-W557 HydrophobicContact CD-CH2 3.95Å; K525-W557 HydrophobicContact CD-CZ3 3.72Å; K525-E605 IonicContact NZ-OE2 3.29Å; K525-E605 PolarHBondContact NZ-OE2 3.21Å
526L89.8Confident88.8Confident3 Ų354.3 Ų54.32%0.01632%0.318CS..Hα-helixtrans-94.1-37.8-178.5-74.5172.3000113.7W495 L498 L522 G523 E524 I537 R541 F554W495-L526 HydrophobicContact CE3-CD1 4.4Å; W495-L526 HydrophobicContact CZ3-CD1 3.9Å; L498-L526 HydrophobicContact CD2-CD1 4.11Å; L522-L526 PolarHBondContact O-N 2.92Å; G523-L526 PolarHBondContact O-N 2.75Å; G523-L526 VanDerWaalsContact O-N 3.15Å; E524-L526 VanDerWaalsContact C-N 3.27Å; E524-L526 PolarHBondContact O-N 3.47Å; L526-I537 HydrophobicContact CB-CD1 4.44Å; L526-I537 HydrophobicContact CD1-CD1 4.13Å; L526-R541 HydrophobicContact CD2-CG 4.14Å; L526-R541 WeakPolarHBondContact O-CD 3.47Å; L526-R541 PolarHBondContact O-NH1 3.3Å; L526-F554 HydrophobicContact CD1-CD1 4.21Å; L526-F554 HydrophobicContact CD1-CD2 4.43Å; L526-F554 HydrophobicContact CD1-CE1 3.83Å; L526-F554 HydrophobicContact CD1-CE2 4.05Å; L526-F554 HydrophobicContact CD1-CG 4.5Å; L526-F554 HydrophobicContact CD1-CZ 3.74Å; L526-F554 HydrophobicContact CD2-CB 4.06Å; L526-F554 HydrophobicContact CD2-CD1 4.05Å; L526-F554 HydrophobicContact CD2-CD2 3.79Å; L526-F554 HydrophobicContact CD2-CE1 4.46Å; L526-F554 HydrophobicContact CD2-CE2 4.21Å; L526-F554 HydrophobicContact CD2-CG 3.69Å; L526-F554 HydrophobicContact CG-CD2 4.04Å; L526-F554 HydrophobicContact CG-CE1 4.46Å; L526-F554 HydrophobicContact CG-CE2 3.95Å; L526-F554 HydrophobicContact CG-CG 4.32Å; L526-F554 HydrophobicContact CG-CZ 4.17Å
527L88.4Confident88.9Confident44 Ų4449.5 Ų49.523%0.2329%0.289CS..Hα-helixtrans-106.7-17-173.7-67.5172.4000113.3W495 G523 A531 I537W495-L527 HydrophobicContact CB-CD1 3.84Å; W495-L527 HydrophobicContact CG-CD1 4.14Å; G523-L527 WeakPolarHBondContact O-CB 3.36Å; G523-L527 PolarHBondContact O-N 3.24Å; L527-A531 HydrophobicContact CB-CB 4.15Å; L527-A531 HydrophobicContact CD1-CB 4.26Å; L527-I537 HydrophobicContact CD2-CG1 3.72Å; L527-I537 HydrophobicContact CG-CD1 4.41Å; L527-I537 HydrophobicContact CG-CG1 4.11Å
528G86.9Confident89.1Confident22 Ų2248 Ų4823%0.22728%0.283CS..  trans90.6-174.9-171.800000113.4E524 N530 A531E524-G528 WeakPolarHBondContact CA-O 3.17Å; E524-G528 CarbonylContact O-C 3.58Å; E524-G528 WeakPolarHBondContact O-CA 3.24Å; E524-G528 PolarHBondContact O-N 3.45Å; G528-N530 PolarHBondContact O-N 3.01Å; G528-A531 PolarHBondContact O-N 3.37Å
529P81.4Confident89.1Confident113 Ų11348 Ų4873%0.73428%0.283SS*.THydrogen-bonded Turntrans-56-24.2-173.5-2835.8000115.9
530N76.3Confident88.9Confident161 Ų16150 Ų5086%0.86130%0.296SS*.THydrogen-bonded Turntrans-102.146.4179.2-65.2-28.1000111.8G528 S532G528-N530 PolarHBondContact O-N 3.01Å; N530-S532 PolarHBondContact O-N 3Å; N530-S532 VanDerWaalsContact O-N 3.1Å
531A80.8Confident88.9Confident40 Ų4051 Ų5133%0.33129%0.294SS..  trans-62.311317900000110.6L527 G528L527-A531 HydrophobicContact CB-CB 4.15Å; L527-A531 HydrophobicContact CD1-CB 4.26Å; G528-A531 PolarHBondContact O-N 3.37Å
532S85.7Confident88.8Confident53 Ų5350.4 Ų50.437%0.37129%0.291SS..  trans-97.9146.9174.4174.20000110.4N530 D534 G535N530-S532 PolarHBondContact O-N 3Å; N530-S532 VanDerWaalsContact O-N 3.1Å; S532-D534 PolarHBondContact O-N 2.98Å; S532-D534 PolarHBondContact OG-N 2.82Å; S532-G535 PolarHBondContact O-N 2.82Å
533P83.6Confident88.7Confident82 Ų8251.2 Ų51.253%0.53230%0.296SS..THydrogen-bonded Turntrans-52.3-32.8169-26.735.6000113.7A496 G535A496-P533 HydrophobicContact CB-CB 4.4Å; A496-P533 WeakPolarHBondContact CB-O 3.25Å; A496-P533 PolarHBondContact N-O 3.18Å; P533-G535 VanDerWaalsContact C-N 3.35Å
534D88.7Confident88.3Confident104 Ų10455.8 Ų55.856%0.55632%0.316SS*.THydrogen-bonded Turntrans-90.44.2177.8-69.1-50.4000113.7S532 L536S532-D534 PolarHBondContact O-N 2.98Å; S532-D534 PolarHBondContact OG-N 2.82Å; D534-L536 PolarHBondContact O-N 2.95Å
535G91.1Very high88.1Confident14 Ų1456.9 Ų56.914%0.14432%0.321CS..  trans-57.9128.9177.400000111.4W495 S532 P533W495-G535 PolarHBondContact N-O 3.14Å; S532-G535 PolarHBondContact O-N 2.82Å; P533-G535 VanDerWaalsContact C-N 3.35Å
536L93.2Very high87.8Confident102 Ų10259.2 Ų59.253%0.53434%0.335SS..EExtended strand (participates in β ladder)trans-91.1128.9-178.4-64.3179.1000110.8C492 A493 R494 D534C492-L536 HydrophobicContact CB-CB 3.97Å; C492-L536 HydrophobicContact CB-CD2 4.45Å; A493-L536 CarbonylContact O-C 3.33Å; A493-L536 WeakPolarHBondContact O-CA 3.35Å; R494-L536 HydrophobicContact CG-CD2 3.79Å; D534-L536 PolarHBondContact O-N 2.95Å
537I93.9Very high87.2Confident0 Ų059.6 Ų59.60%034%0.337CS..EExtended strand (participates in β ladder)trans-114.6115.2-176.1-59.3162.7000107.9W473 C492 A493 W495 L498 L526 L527W473-I537 HydrophobicContact CH2-CG2 4.19Å; W473-I537 VanDerWaalsContact CZ2-O 3.31Å; W473-I537 WeakPolarHBondContact CZ2-O 3.2Å; C492-I537 CarbonylContact C-O 3.54Å; C492-I537 WeakPolarHBondContact CA-O 3.34Å; A493-I537 PolarHBondContact N-O 3.47Å; A493-I537 PolarHBondContact O-N 3.44Å; W495-I537 HydrophobicContact CB-CD1 4.06Å; W495-I537 HydrophobicContact CD2-CD1 4.36Å; W495-I537 HydrophobicContact CE3-CD1 3.57Å; W495-I537 HydrophobicContact CZ3-CD1 4.43Å; L498-I537 HydrophobicContact CD2-CB 4.49Å; L498-I537 HydrophobicContact CD2-CD1 3.63Å; L498-I537 HydrophobicContact CD2-CG2 4.26Å; L526-I537 HydrophobicContact CB-CD1 4.44Å; L526-I537 HydrophobicContact CD1-CD1 4.13Å; L527-I537 HydrophobicContact CD2-CG1 3.72Å; L527-I537 HydrophobicContact CG-CD1 4.41Å; L527-I537 HydrophobicContact CG-CG1 4.11Å
538P93.8Very high86.3Confident44 Ų4462.8 Ų62.829%0.28635%0.354SS..  trans-66.9147.7175.1-21.733.8000112.2T540 R541 F542P538-T540 PolarHBondContact O-N 3.07Å; P538-R541 PolarHBondContact O-N 3.23Å; P538-R541 VanDerWaalsContact O-N 3.11Å; P538-F542 PolarHBondContact O-N 2.88Å
539W93.4Very high85.4Confident5 Ų570 Ų702%0.01939%0.387CS..Hα-helixtrans-53.2-39.7172.5167.7-116000112.5E428 A469 W473 F487 P490 R541 F542 C543E428-W539 HydrophobicContact CG-CZ2 4.24Å; E428-W539 PolarHBondContact OE1-NE1 3.47Å; A469-W539 HydrophobicContact CB-CH2 3.84Å; A469-W539 HydrophobicContact CB-CZ3 4.25Å; A469-W539 WeakPolarHBondContact O-CZ3 3.15Å; W473-W539 HydrophobicContact CB-CE3 3.69Å; W473-W539 HydrophobicContact CB-CH2 4.46Å; W473-W539 HydrophobicContact CB-CZ3 3.54Å; W473-W539 AromaticContact CD1-CE3 3.79Å; W473-W539 HydrophobicContact CD2-CD2 4.45Å; W473-W539 AromaticContact CD2-CE3 3.42Å; W473-W539 HydrophobicContact CD2-CE3 3.42Å; W473-W539 VanDerWaalsContact CD2-CE3 3.42Å; W473-W539 AromaticContact CD2-CZ3 4Å; W473-W539 HydrophobicContact CD2-CZ3 4Å; W473-W539 AromaticContact CE2-CE3 3.91Å; W473-W539 AromaticContact CE3-CE3 3.83Å; W473-W539 HydrophobicContact CE3-CE3 3.83Å; W473-W539 HydrophobicContact CE3-CZ3 4.15Å; W473-W539 HydrophobicContact CG-CD2 4.25Å; W473-W539 AromaticContact CG-CE3 3.35Å; W473-W539 HydrophobicContact CG-CE3 3.35Å; W473-W539 AromaticContact CG-CZ3 3.75Å; W473-W539 HydrophobicContact CG-CZ3 3.75Å; W473-W539 HydrophobicContact CZ2-CB 4.2Å; F487-W539 HydrophobicContact CD1-CD2 4.34Å; F487-W539 AromaticContact CD1-CE2 3.87Å; F487-W539 HydrophobicContact CD1-CZ2 4.22Å; F487-W539 AromaticContact CD1-NE1 3.79Å; F487-W539 AromaticContact CE1-CD2 3.9Å; F487-W539 HydrophobicContact CE1-CD2 3.9Å; F487-W539 AromaticContact CE1-CE2 3.59Å; F487-W539 HydrophobicContact CE1-CE3 4.25Å; F487-W539 HydrophobicContact CE1-CG 4.46Å; F487-W539 HydrophobicContact CE1-CH2 4.04Å; F487-W539 AromaticContact CE1-CZ2 3.68Å; F487-W539 HydrophobicContact CE1-CZ2 3.68Å; F487-W539 HydrophobicContact CE1-CZ3 4.31Å; F487-W539 HydrophobicContact CZ-CH2 4.48Å; F487-W539 HydrophobicContact CZ-CZ2 4.4Å; P490-W539 HydrophobicContact CB-CB 3.74Å; P490-W539 HydrophobicContact CB-CG 4.03Å; P490-W539 HydrophobicContact CG-CB 3.8Å; P490-W539 HydrophobicContact CG-CG 4.03Å; W539-R541 VanDerWaalsContact C-N 3.35Å; W539-R541 PolarHBondContact O-N 3.29Å; W539-F542 AromaticContact CE3-CD1 3.99Å; W539-F542 HydrophobicContact CE3-CD1 3.99Å; W539-F542 AromaticContact CZ3-CD1 3.73Å; W539-F542 HydrophobicContact CZ3-CD1 3.73Å; W539-F542 HydrophobicContact CZ3-CE1 4.17Å; W539-F542 PolarHBondContact O-N 3.06Å; W539-C543 HydrophobicContact CD2-CB 4.5Å; W539-C543 HydrophobicContact CE3-CB 4.26Å; W539-C543 HydrophobicContact CH2-CB 3.69Å; W539-C543 HydrophobicContact CZ2-CB 3.91Å; W539-C543 HydrophobicContact CZ3-CB 3.87Å; W539-C543 PolarHBondContact O-N 3.25Å; W539-C543 VanDerWaalsContact O-N 3.09Å
540T91.3Very high85.2Confident68 Ų6867.6 Ų67.642%0.41737%0.366SS..Iπ-helixtrans-57.5-48178.5500000110.9P538 F542 K544 E545P538-T540 PolarHBondContact O-N 3.07Å; T540-F542 VanDerWaalsContact C-N 3.27Å; T540-F542 PolarHBondContact O-N 3.47Å; T540-K544 HydrophobicContact CG2-CD 4.37Å; T540-K544 CarbonylContact O-C 3.57Å; T540-K544 WeakPolarHBondContact O-CA 3.4Å; T540-K544 WeakPolarHBondContact O-CB 3.34Å; T540-K544 PolarHBondContact O-N 3.18Å; T540-E545 WeakPolarHBondContact O-CB 3.37Å; T540-E545 PolarHBondContact O-N 3.25Å
541R90.6Very high85.5Confident101 Ų10166.8 Ų66.838%0.38136%0.361SS..Iπ-helixtrans-63.7-32.4178.9-174168.4-71.1179.4-2.3113.2L526 P538 W539 E545L526-R541 HydrophobicContact CD2-CG 4.14Å; L526-R541 WeakPolarHBondContact O-CD 3.47Å; L526-R541 PolarHBondContact O-NH1 3.3Å; P538-R541 PolarHBondContact O-N 3.23Å; P538-R541 VanDerWaalsContact O-N 3.11Å; W539-R541 VanDerWaalsContact C-N 3.35Å; W539-R541 PolarHBondContact O-N 3.29Å; R541-E545 IonicContact NE-OE2 3.93Å
542F91.6Very high85.8Confident2 Ų265.4 Ų65.41%0.00935%0.348CS..Iπ-helixtrans-74.1-44.2-179-179.9-108.3000113.2A469 W473 L498 L502 P538 W539 T540 F554 W555A469-F542 HydrophobicContact CB-CE1 4.2Å; W473-F542 HydrophobicContact CE3-CB 4.29Å; W473-F542 AromaticContact CE3-CD1 3.53Å; W473-F542 HydrophobicContact CE3-CD1 3.53Å; W473-F542 AromaticContact CE3-CE1 3.91Å; W473-F542 HydrophobicContact CE3-CE1 3.91Å; W473-F542 AromaticContact CE3-CG 3.89Å; W473-F542 HydrophobicContact CE3-CG 3.89Å; W473-F542 HydrophobicContact CH2-CB 3.82Å; W473-F542 HydrophobicContact CH2-CG 4.14Å; W473-F542 HydrophobicContact CZ3-CB 3.56Å; W473-F542 AromaticContact CZ3-CD1 3.55Å; W473-F542 HydrophobicContact CZ3-CD1 3.55Å; W473-F542 AromaticContact CZ3-CD2 3.84Å; W473-F542 HydrophobicContact CZ3-CD2 3.84Å; W473-F542 HydrophobicContact CZ3-CE1 4.14Å; W473-F542 HydrophobicContact CZ3-CE2 4.39Å; W473-F542 AromaticContact CZ3-CG 3.37Å; W473-F542 HydrophobicContact CZ3-CG 3.37Å; L498-F542 HydrophobicContact CD1-CD2 4.34Å; L498-F542 HydrophobicContact CD1-CE2 3.93Å; L498-F542 HydrophobicContact CD1-CZ 4.38Å; L498-F542 HydrophobicContact CD2-CD2 4.1Å; L498-F542 HydrophobicContact CD2-CE2 4.35Å; L502-F542 HydrophobicContact CD2-CE2 4.43Å; P538-F542 PolarHBondContact O-N 2.88Å; W539-F542 AromaticContact CE3-CD1 3.99Å; W539-F542 HydrophobicContact CE3-CD1 3.99Å; W539-F542 AromaticContact CZ3-CD1 3.73Å; W539-F542 HydrophobicContact CZ3-CD1 3.73Å; W539-F542 HydrophobicContact CZ3-CE1 4.17Å; W539-F542 PolarHBondContact O-N 3.06Å; T540-F542 VanDerWaalsContact C-N 3.27Å; T540-F542 PolarHBondContact O-N 3.47Å; F542-F554 AromaticContact CD2-CD1 3.74Å; F542-F554 HydrophobicContact CD2-CD1 3.74Å; F542-F554 HydrophobicContact CD2-CE1 4.14Å; F542-F554 AromaticContact CE2-CD1 3.91Å; F542-F554 HydrophobicContact CE2-CD1 3.91Å; F542-F554 HydrophobicContact CE2-CE1 4Å; F542-W555 HydrophobicContact CD1-CB 4.28Å; F542-W555 HydrophobicContact CE1-CB 3.91Å; F542-W555 HydrophobicContact CE1-CD2 4.22Å; F542-W555 HydrophobicContact CE1-CE3 4.28Å; F542-W555 HydrophobicContact CE1-CG 4.05Å; F542-W555 HydrophobicContact CE2-CB 4.23Å; F542-W555 HydrophobicContact CE2-CE3 4.02Å; F542-W555 HydrophobicContact CZ-CB 3.89Å; F542-W555 AromaticContact CZ-CD2 3.82Å; F542-W555 HydrophobicContact CZ-CD2 3.82Å; F542-W555 AromaticContact CZ-CE3 3.43Å; F542-W555 HydrophobicContact CZ-CE3 3.43Å; F542-W555 VanDerWaalsContact CZ-CE3 3.43Å; F542-W555 HydrophobicContact CZ-CG 4.01Å; F542-W555 HydrophobicContact CZ-CZ3 4.32Å; F542-W555 WeakPolarHBondContact O-CB 3.39Å; F542-W555 PolarHBondContact O-N 3.46Å
543C89.8Confident86Confident17 Ų1763.8 Ų63.812%0.11534%0.336CS..Iπ-helixtrans-130.2-11-168.4-162.80000116.1A469 W539 P553A469-C543 HydrophobicContact CB-CB 4.34Å; A469-C543 VanDerWaalsContact CB-SG 3.53Å; W539-C543 HydrophobicContact CD2-CB 4.5Å; W539-C543 HydrophobicContact CE3-CB 4.26Å; W539-C543 HydrophobicContact CH2-CB 3.69Å; W539-C543 HydrophobicContact CZ2-CB 3.91Å; W539-C543 HydrophobicContact CZ3-CB 3.87Å; W539-C543 PolarHBondContact O-N 3.25Å; W539-C543 VanDerWaalsContact O-N 3.09Å; C543-P553 WeakPolarHBondContact O-CB 3.03Å; C543-P553 WeakPolarHBondContact O-CG 3.36Å
544K84.1Confident86.5Confident97 Ų9759.9 Ų59.942%0.42231%0.311SS..Iπ-helixtrans-112.8-46.1-178.3-62.7-169178.1-178.50113.9E428 T540E428-K544 VanDerWaalsContact CD-CE 3.46Å; E428-K544 VanDerWaalsContact CD-NZ 3.32Å; E428-K544 WeakPolarHBondContact OE1-CE 3.48Å; E428-K544 IonicContact OE1-NZ 2.86Å; E428-K544 PolarHBondContact OE1-NZ 2.91Å; E428-K544 WeakPolarHBondContact OE2-CE 3.4Å; E428-K544 IonicContact OE2-NZ 2.69Å; E428-K544 PolarHBondContact OE2-NZ 2.94Å; T540-K544 HydrophobicContact CG2-CD 4.37Å; T540-K544 CarbonylContact O-C 3.57Å; T540-K544 WeakPolarHBondContact O-CA 3.4Å; T540-K544 WeakPolarHBondContact O-CB 3.34Å; T540-K544 PolarHBondContact O-N 3.18Å
545E85.8Confident86.8Confident95 Ų9554.9 Ų54.944%0.44428%0.284SS..SBendtrans-75.2140.7-174.9-162.9-176.8170.800110T540 R541 P553T540-E545 WeakPolarHBondContact O-CB 3.37Å; T540-E545 PolarHBondContact O-N 3.25Å; R541-E545 IonicContact NE-OE2 3.93Å; E545-P553 WeakPolarHBondContact O-CA 3.32Å
546N83.5Confident86.8Confident77 Ų7756.4 Ų56.441%0.41229%0.289SS..BIsolated β-bridgetrans-72.4128.7173.5-88.6-3.5000109.9N548 K550 F552N546-N548 PolarHBondContact O-N 3.46Å; N546-K550 WeakPolarHBondContact CB-O 3.48Å; N546-K550 PolarHBondContact ND2-O 3.33Å; N546-F552 PolarHBondContact OD1-N 3.35Å
547I78Confident86.8Confident11 Ų1151.6 Ų51.66%0.05626%0.263CS..PPolyproline II helixtrans-75.8124.5-176.8-164.4152.8000110.9K525 D549 K550 F552 F554K525-I547 HydrophobicContact CD-CD1 3.67Å; K525-I547 HydrophobicContact CG-CD1 3.74Å; K525-I547 HydrophobicContact CG-CG1 4.37Å; I547-D549 PolarHBondContact O-N 2.89Å; I547-K550 HydrophobicContact CG2-CB 3.97Å; I547-K550 HydrophobicContact CG2-CG 4.04Å; I547-K550 WeakPolarHBondContact O-CB 3.5Å; I547-K550 VanDerWaalsContact O-CG 3.27Å; I547-K550 WeakPolarHBondContact O-CG 3.13Å; I547-K550 PolarHBondContact O-N 3.24Å; I547-F552 HydrophobicContact CG2-CE2 4.31Å; I547-F552 PolarHBondContact N-O 3.44Å; I547-F554 HydrophobicContact CD1-CB 4.05Å; I547-F554 HydrophobicContact CD1-CD2 3.63Å; I547-F554 HydrophobicContact CD1-CG 4.32Å
548N69.5Low86.9Confident111 Ų11151.6 Ų51.659%0.59426%0.263SS*.THydrogen-bonded Turntrans29.173.2167.9-56.7-13.4000114.5N546 K550N546-N548 PolarHBondContact O-N 3.46Å; N548-K550 VanDerWaalsContact C-N 3.32Å; N548-K550 PolarHBondContact O-N 3.31Å
549D67Low86.8Confident172 Ų17250.9 Ų50.992%0.9226%0.256SS*.THydrogen-bonded Turntrans64.419179.5-52.5-43.8000116.8I547I547-D549 PolarHBondContact O-N 2.89Å
550K76.9Confident86.8Confident63 Ų6351.1 Ų51.127%0.27426%0.258SS..  trans-103.7154175.5-54.3-61.1175.7-177.50112.6N546 I547 N548 F552 S606N546-K550 WeakPolarHBondContact CB-O 3.48Å; N546-K550 PolarHBondContact ND2-O 3.33Å; I547-K550 HydrophobicContact CG2-CB 3.97Å; I547-K550 HydrophobicContact CG2-CG 4.04Å; I547-K550 WeakPolarHBondContact O-CB 3.5Å; I547-K550 VanDerWaalsContact O-CG 3.27Å; I547-K550 WeakPolarHBondContact O-CG 3.13Å; I547-K550 PolarHBondContact O-N 3.24Å; N548-K550 VanDerWaalsContact C-N 3.32Å; N548-K550 PolarHBondContact O-N 3.31Å; K550-F552 VanDerWaalsContact C-N 3.26Å; K550-F552 HydrophobicContact CB-CD1 4.37Å; K550-F552 HydrophobicContact CB-CE1 4.09Å; K550-F552 HydrophobicContact CB-CZ 4.18Å; K550-F552 HydrophobicContact CG-CZ 4.41Å; K550-F552 PolarHBondContact O-N 2.93Å; K550-S606 PolarHBondContact NZ-OG 2.82Å
551N82.9Confident87Confident145 Ų14547.9 Ų47.978%0.77524%0.239SC*.SBendtrans-86.423.5-178.6-73.4-9.6000114.5
552F86.6Confident87.2Confident11 Ų1143.2 Ų43.25%0.04822%0.221CC..SBendtrans-148.3153.1179.354.8-95.9000113N546 I547 K550 W557 R608N546-F552 PolarHBondContact OD1-N 3.35Å; I547-F552 HydrophobicContact CG2-CE2 4.31Å; I547-F552 PolarHBondContact N-O 3.44Å; K550-F552 VanDerWaalsContact C-N 3.26Å; K550-F552 HydrophobicContact CB-CD1 4.37Å; K550-F552 HydrophobicContact CB-CE1 4.09Å; K550-F552 HydrophobicContact CB-CZ 4.18Å; K550-F552 HydrophobicContact CG-CZ 4.41Å; K550-F552 PolarHBondContact O-N 2.93Å; F552-W557 HydrophobicContact CD2-CB 3.73Å; F552-W557 HydrophobicContact CD2-CG 4.41Å; F552-W557 HydrophobicContact CE2-CB 3.51Å; F552-W557 AromaticContact CE2-CD1 3.73Å; F552-W557 AromaticContact CE2-CG 3.7Å; F552-W557 HydrophobicContact CE2-CG 3.7Å; F552-R608 HydrophobicContact CB-CG 4.16Å; F552-R608 HydrophobicContact CD1-CB 3.6Å; F552-R608 HydrophobicContact CD1-CG 4Å; F552-R608 HydrophobicContact CE1-CB 3.94Å; F552-R608 HydrophobicContact CG-CB 4.25Å; F552-R608 HydrophobicContact CG-CG 4.2Å
553P91.1Very high87.3Confident18 Ų1846.5 Ų46.512%0.11724%0.237CC..BIsolated β-bridgetrans-73.3157.8175.2-16.530.8000114.5C543 E545 W555 L556 W557C543-P553 WeakPolarHBondContact O-CB 3.03Å; C543-P553 WeakPolarHBondContact O-CG 3.36Å; E545-P553 WeakPolarHBondContact O-CA 3.32Å; P553-W555 PolarHBondContact O-N 2.95Å; P553-L556 HydrophobicContact CG-CD1 4.28Å; P553-L556 PolarHBondContact O-N 2.99Å; P553-W557 PolarHBondContact O-N 3.18Å
554F93.4Very high87.5Confident0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-54.5-50.7179175.7-97.5000113.4L502 L522 L526 F542 I547 L556 W557 I558L502-F554 HydrophobicContact CD1-CE1 4.12Å; L502-F554 HydrophobicContact CD1-CZ 4.15Å; L502-F554 HydrophobicContact CD2-CE1 4.27Å; L522-F554 HydrophobicContact CB-CZ 4.48Å; L522-F554 HydrophobicContact CD2-CE2 3.99Å; L522-F554 HydrophobicContact CD2-CZ 4.15Å; L526-F554 HydrophobicContact CD1-CD1 4.21Å; L526-F554 HydrophobicContact CD1-CD2 4.43Å; L526-F554 HydrophobicContact CD1-CE1 3.83Å; L526-F554 HydrophobicContact CD1-CE2 4.05Å; L526-F554 HydrophobicContact CD1-CG 4.5Å; L526-F554 HydrophobicContact CD1-CZ 3.74Å; L526-F554 HydrophobicContact CD2-CB 4.06Å; L526-F554 HydrophobicContact CD2-CD1 4.05Å; L526-F554 HydrophobicContact CD2-CD2 3.79Å; L526-F554 HydrophobicContact CD2-CE1 4.46Å; L526-F554 HydrophobicContact CD2-CE2 4.21Å; L526-F554 HydrophobicContact CD2-CG 3.69Å; L526-F554 HydrophobicContact CG-CD2 4.04Å; L526-F554 HydrophobicContact CG-CE1 4.46Å; L526-F554 HydrophobicContact CG-CE2 3.95Å; L526-F554 HydrophobicContact CG-CG 4.32Å; L526-F554 HydrophobicContact CG-CZ 4.17Å; F542-F554 AromaticContact CD2-CD1 3.74Å; F542-F554 HydrophobicContact CD2-CD1 3.74Å; F542-F554 HydrophobicContact CD2-CE1 4.14Å; F542-F554 AromaticContact CE2-CD1 3.91Å; F542-F554 HydrophobicContact CE2-CD1 3.91Å; F542-F554 HydrophobicContact CE2-CE1 4Å; I547-F554 HydrophobicContact CD1-CB 4.05Å; I547-F554 HydrophobicContact CD1-CD2 3.63Å; I547-F554 HydrophobicContact CD1-CG 4.32Å; F554-L556 PolarHBondContact O-N 3.32Å; F554-W557 HydrophobicContact CD2-CE3 4.11Å; F554-W557 HydrophobicContact CD2-CZ3 4.24Å; F554-W557 HydrophobicContact CE2-CE3 4.2Å; F554-W557 AromaticContact CE2-CZ3 3.96Å; F554-W557 HydrophobicContact CE2-CZ3 3.96Å; F554-W557 WeakPolarHBondContact O-CB 3.35Å; F554-W557 PolarHBondContact O-N 3.24Å; F554-I558 HydrophobicContact CD1-CG1 4.35Å; F554-I558 HydrophobicContact CE1-CG1 3.85Å; F554-I558 HydrophobicContact CE2-CD1 4.38Å; F554-I558 HydrophobicContact CE2-CG1 4.15Å; F554-I558 HydrophobicContact CZ-CD1 4.14Å; F554-I558 HydrophobicContact CZ-CG1 3.75Å; F554-I558 PolarHBondContact O-N 3.24Å; F554-I558 VanDerWaalsContact O-N 3.11Å
555W94.4Very high88Confident0 Ų041.3 Ų41.30%021%0.212CC..Hα-helixtrans-63.6-42-176.1172.7-105.9000113P465 W468 A469 L472 L502 Q505 F542 P553 W557 I558 E559P465-W555 PolarHBondContact O-NE1 3.12Å; W468-W555 AromaticContact CD1-CH2 3.97Å; W468-W555 AromaticContact CD1-CZ2 3.43Å; W468-W555 VanDerWaalsContact CD1-CZ2 3.43Å; A469-W555 HydrophobicContact CB-CD2 4.43Å; A469-W555 HydrophobicContact CB-CG 3.88Å; L472-W555 HydrophobicContact CD1-CE3 4.21Å; L472-W555 HydrophobicContact CD1-CH2 3.52Å; L472-W555 HydrophobicContact CD1-CZ2 3.93Å; L472-W555 HydrophobicContact CD1-CZ3 3.67Å; L502-W555 HydrophobicContact CD2-CE3 4.39Å; L502-W555 HydrophobicContact CD2-CZ3 4.12Å; Q505-W555 HydrophobicContact CG-CH2 3.87Å; Q505-W555 HydrophobicContact CG-CZ3 4.04Å; F542-W555 HydrophobicContact CD1-CB 4.28Å; F542-W555 HydrophobicContact CE1-CB 3.91Å; F542-W555 HydrophobicContact CE1-CD2 4.22Å; F542-W555 HydrophobicContact CE1-CE3 4.28Å; F542-W555 HydrophobicContact CE1-CG 4.05Å; F542-W555 HydrophobicContact CE2-CB 4.23Å; F542-W555 HydrophobicContact CE2-CE3 4.02Å; F542-W555 HydrophobicContact CZ-CB 3.89Å; F542-W555 AromaticContact CZ-CD2 3.82Å; F542-W555 HydrophobicContact CZ-CD2 3.82Å; F542-W555 AromaticContact CZ-CE3 3.43Å; F542-W555 HydrophobicContact CZ-CE3 3.43Å; F542-W555 VanDerWaalsContact CZ-CE3 3.43Å; F542-W555 HydrophobicContact CZ-CG 4.01Å; F542-W555 HydrophobicContact CZ-CZ3 4.32Å; F542-W555 WeakPolarHBondContact O-CB 3.39Å; F542-W555 PolarHBondContact O-N 3.46Å; P553-W555 PolarHBondContact O-N 2.95Å; W555-W557 PolarHBondContact O-N 3.47Å; W555-I558 HydrophobicContact CE3-CG2 4.45Å; W555-I558 HydrophobicContact CZ3-CG2 4.15Å; W555-I558 PolarHBondContact O-N 3.33Å; W555-E559 HydrophobicContact CZ2-CB 4.16Å; W555-E559 HydrophobicContact CZ2-CG 4.06Å; W555-E559 WeakPolarHBondContact O-CB 3.29Å; W555-E559 PolarHBondContact O-N 3.29Å
556L92.6Very high88.3Confident46 Ų4641.5 Ų41.524%0.24121%0.212CC..Hα-helixtrans-64.1-32179-67.7-173.8000112P465 P553 F554 S560P465-L556 HydrophobicContact CB-CD2 3.67Å; P553-L556 HydrophobicContact CG-CD1 4.28Å; P553-L556 PolarHBondContact O-N 2.99Å; F554-L556 PolarHBondContact O-N 3.32Å; L556-S560 WeakPolarHBondContact O-CB 3.38Å; L556-S560 PolarHBondContact O-N 3.13Å; L556-S560 PolarHBondContact O-OG 3.43Å
557W93.3Very high88.7Confident1 Ų144 Ų440%0.00422%0.219CC..Hα-helixtrans-65.8-50.1172.417361.9000112.2L522 K525 F552 P553 F554 W555 E559 S560 I561 F581 S604 E605L522-W557 HydrophobicContact CD2-CH2 3.98Å; L522-W557 HydrophobicContact CD2-CZ3 3.7Å; K525-W557 HydrophobicContact CD-CH2 3.95Å; K525-W557 HydrophobicContact CD-CZ3 3.72Å; F552-W557 HydrophobicContact CD2-CB 3.73Å; F552-W557 HydrophobicContact CD2-CG 4.41Å; F552-W557 HydrophobicContact CE2-CB 3.51Å; F552-W557 AromaticContact CE2-CD1 3.73Å; F552-W557 AromaticContact CE2-CG 3.7Å; F552-W557 HydrophobicContact CE2-CG 3.7Å; P553-W557 PolarHBondContact O-N 3.18Å; F554-W557 HydrophobicContact CD2-CE3 4.11Å; F554-W557 HydrophobicContact CD2-CZ3 4.24Å; F554-W557 HydrophobicContact CE2-CE3 4.2Å; F554-W557 AromaticContact CE2-CZ3 3.96Å; F554-W557 HydrophobicContact CE2-CZ3 3.96Å; F554-W557 WeakPolarHBondContact O-CB 3.35Å; F554-W557 PolarHBondContact O-N 3.24Å; W555-W557 PolarHBondContact O-N 3.47Å; W557-E559 VanDerWaalsContact C-N 3.28Å; W557-E559 PolarHBondContact O-N 3.04Å; W557-S560 PolarHBondContact O-N 3.21Å; W557-S560 PolarHBondContact O-OG 3.23Å; W557-I561 HydrophobicContact CD2-CD1 4.08Å; W557-I561 VanDerWaalsContact CE2-CD1 3.49Å; W557-I561 HydrophobicContact CG-CD1 4.42Å; W557-I561 HydrophobicContact CH2-CD1 4.47Å; W557-I561 HydrophobicContact CZ2-CD1 3.72Å; W557-I561 WeakPolarHBondContact O-CG1 3.28Å; W557-I561 PolarHBondContact O-N 3.12Å; W557-I561 VanDerWaalsContact O-N 3.11Å; W557-F581 AromaticContact CH2-CD1 3.91Å; W557-F581 HydrophobicContact CH2-CD1 3.91Å; W557-F581 AromaticContact CH2-CE1 3.82Å; W557-F581 HydrophobicContact CH2-CE1 3.82Å; W557-F581 HydrophobicContact CZ2-CD1 4.47Å; W557-F581 HydrophobicContact CZ2-CE1 4.2Å; W557-F581 HydrophobicContact CZ3-CE1 4.34Å; W557-S604 PolarHBondContact NE1-O 3.11Å; W557-E605 HydrophobicContact CZ2-CB 4.43Å; W557-E605 HydrophobicContact CZ2-CG 4.03Å
558I94.8Very high89.4Confident0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-59.3-41.5176.4-67.1-63000111.4L502 F506 L522 F554 W555 I561 L562 F581L502-I558 HydrophobicContact CD2-CG2 4.41Å; F506-I558 HydrophobicContact CE2-CG2 3.95Å; F506-I558 HydrophobicContact CZ-CG2 4.23Å; L522-I558 HydrophobicContact CD1-CD1 4.33Å; L522-I558 HydrophobicContact CD2-CD1 3.79Å; F554-I558 HydrophobicContact CD1-CG1 4.35Å; F554-I558 HydrophobicContact CE1-CG1 3.85Å; F554-I558 HydrophobicContact CE2-CD1 4.38Å; F554-I558 HydrophobicContact CE2-CG1 4.15Å; F554-I558 HydrophobicContact CZ-CD1 4.14Å; F554-I558 HydrophobicContact CZ-CG1 3.75Å; F554-I558 PolarHBondContact O-N 3.24Å; F554-I558 VanDerWaalsContact O-N 3.11Å; W555-I558 HydrophobicContact CE3-CG2 4.45Å; W555-I558 HydrophobicContact CZ3-CG2 4.15Å; W555-I558 PolarHBondContact O-N 3.33Å; I558-I561 PolarHBondContact O-N 3.36Å; I558-L562 HydrophobicContact CG2-CD1 4.21Å; I558-L562 PolarHBondContact O-N 3.06Å; I558-F581 HydrophobicContact CD1-CE1 3.71Å; I558-F581 HydrophobicContact CD1-CZ 3.9Å
559E93.1Very high90.6Very high29 Ų2940.9 Ų40.914%0.13620%0.201CC..Hα-helixtrans-64.8-42.1179.9-158.2-80.1158.600111.9R331 P465 W555 W557 I561 L562 E563R331-E559 IonicContact NH2-OE1 3.24Å; P465-E559 HydrophobicContact CB-CB 4.43Å; P465-E559 HydrophobicContact CB-CG 3.9Å; P465-E559 HydrophobicContact CG-CG 4.33Å; P465-E559 WeakPolarHBondContact CG-OE2 3.43Å; W555-E559 HydrophobicContact CZ2-CB 4.16Å; W555-E559 HydrophobicContact CZ2-CG 4.06Å; W555-E559 WeakPolarHBondContact O-CB 3.29Å; W555-E559 PolarHBondContact O-N 3.29Å; W557-E559 VanDerWaalsContact C-N 3.28Å; W557-E559 PolarHBondContact O-N 3.04Å; E559-I561 VanDerWaalsContact C-N 3.29Å; E559-I561 PolarHBondContact O-N 3.24Å; E559-L562 WeakPolarHBondContact O-CB 3.47Å; E559-L562 PolarHBondContact O-N 3.13Å; E559-L562 VanDerWaalsContact O-N 3.17Å; E559-E563 PolarHBondContact O-N 3.23Å
560S93.5Very high91.8Very high9 Ų935.6 Ų35.66%0.06317%0.172CC..Hα-helixtrans-62.7-35175740000112.9L556 W557 E563 L564 R608 G610L556-S560 WeakPolarHBondContact O-CB 3.38Å; L556-S560 PolarHBondContact O-N 3.13Å; L556-S560 PolarHBondContact O-OG 3.43Å; W557-S560 PolarHBondContact O-N 3.21Å; W557-S560 PolarHBondContact O-OG 3.23Å; S560-E563 PolarHBondContact O-N 3.14Å; S560-L564 WeakPolarHBondContact O-CB 3.49Å; S560-L564 PolarHBondContact O-N 2.84Å; S560-R608 PolarHBondContact OG-O 3.12Å; S560-G610 WeakPolarHBondContact OG-CA 3.16Å; S560-G610 PolarHBondContact OG-N 2.79Å
561I94.9Very high92.4Very high0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-67.4-44.6173.8-70.6169.2000110.5F506 W557 I558 E559 E563 L564 I565 F581 F603F506-I561 HydrophobicContact CE1-CG2 4.46Å; W557-I561 HydrophobicContact CD2-CD1 4.08Å; W557-I561 VanDerWaalsContact CE2-CD1 3.49Å; W557-I561 HydrophobicContact CG-CD1 4.42Å; W557-I561 HydrophobicContact CH2-CD1 4.47Å; W557-I561 HydrophobicContact CZ2-CD1 3.72Å; W557-I561 WeakPolarHBondContact O-CG1 3.28Å; W557-I561 PolarHBondContact O-N 3.12Å; W557-I561 VanDerWaalsContact O-N 3.11Å; I558-I561 PolarHBondContact O-N 3.36Å; E559-I561 VanDerWaalsContact C-N 3.29Å; E559-I561 PolarHBondContact O-N 3.24Å; I561-E563 VanDerWaalsContact C-N 3.29Å; I561-E563 PolarHBondContact O-N 2.97Å; I561-L564 WeakPolarHBondContact O-CB 3.39Å; I561-L564 PolarHBondContact O-N 2.94Å; I561-I565 HydrophobicContact CG2-CD1 3.85Å; I561-I565 HydrophobicContact CG2-CG1 4.36Å; I561-I565 VanDerWaalsContact O-CG1 3.32Å; I561-I565 WeakPolarHBondContact O-CG1 3.33Å; I561-I565 PolarHBondContact O-N 2.99Å; I561-F581 HydrophobicContact CD1-CE1 3.78Å; I561-F581 HydrophobicContact CD1-CZ 4.11Å; I561-F581 HydrophobicContact CG2-CZ 4.09Å; I561-F603 HydrophobicContact CD1-CB 3.68Å; I561-F603 HydrophobicContact CD1-CD2 4.36Å; I561-F603 HydrophobicContact CD1-CG 4.04Å; I561-F603 HydrophobicContact CG1-CB 4.18Å; I561-F603 HydrophobicContact CG1-CD1 4.44Å; I561-F603 HydrophobicContact CG1-CG 4.2Å; I561-F603 HydrophobicContact CG2-CD1 3.84Å; I561-F603 HydrophobicContact CG2-CD2 3.58Å; I561-F603 HydrophobicContact CG2-CE1 3.89Å; I561-F603 HydrophobicContact CG2-CE2 3.62Å; I561-F603 HydrophobicContact CG2-CG 3.7Å; I561-F603 HydrophobicContact CG2-CZ 3.8Å
562L94.4Very high92.8Very high4 Ų428.7 Ų28.72%0.02114%0.141CC..Hα-helixtrans-59.8-40.2175.4-79.8167.3000111.8Q505 F506 I558 E559 I565 K566Q505-L562 HydrophobicContact CB-CD1 3.79Å; F506-L562 HydrophobicContact CB-CD2 4.26Å; F506-L562 HydrophobicContact CD1-CD2 3.43Å; F506-L562 VanDerWaalsContact CD1-CD2 3.43Å; F506-L562 HydrophobicContact CD1-CG 4.35Å; F506-L562 HydrophobicContact CD2-CD1 4.47Å; F506-L562 HydrophobicContact CD2-CD2 3.86Å; F506-L562 HydrophobicContact CD2-CG 4.39Å; F506-L562 HydrophobicContact CE1-CD2 3.56Å; F506-L562 HydrophobicContact CE1-CG 3.99Å; F506-L562 HydrophobicContact CE2-CD1 4.19Å; F506-L562 HydrophobicContact CE2-CD2 3.96Å; F506-L562 HydrophobicContact CE2-CG 4.03Å; F506-L562 HydrophobicContact CG-CD2 3.59Å; F506-L562 HydrophobicContact CZ-CD1 4.43Å; F506-L562 HydrophobicContact CZ-CD2 3.8Å; F506-L562 HydrophobicContact CZ-CG 3.8Å; I558-L562 HydrophobicContact CG2-CD1 4.21Å; I558-L562 PolarHBondContact O-N 3.06Å; E559-L562 WeakPolarHBondContact O-CB 3.47Å; E559-L562 PolarHBondContact O-N 3.13Å; E559-L562 VanDerWaalsContact O-N 3.17Å; L562-I565 PolarHBondContact O-N 2.91Å; L562-K566 VanDerWaalsContact O-CB 3.28Å; L562-K566 WeakPolarHBondContact O-CB 3.39Å; L562-K566 PolarHBondContact O-N 3.37Å
563E92.8Very high93.1Very high71 Ų7128.2 Ų28.233%0.33214%0.139SC..Hα-helixtrans-62.6-44.5174.4-171.2-179.2-171.800111.6E559 S560 I561 K566 K567E559-E563 PolarHBondContact O-N 3.23Å; S560-E563 PolarHBondContact O-N 3.14Å; I561-E563 VanDerWaalsContact C-N 3.29Å; I561-E563 PolarHBondContact O-N 2.97Å; E563-K566 PolarHBondContact O-N 2.86Å; E563-K567 HydrophobicContact CG-CD 4.08Å; E563-K567 PolarHBondContact O-N 3.39Å; E563-K567 VanDerWaalsContact O-N 3.07Å; E563-K567 WeakPolarHBondContact OE1-CE 3.5Å; E563-K567 IonicContact OE1-NZ 2.72Å; E563-K567 PolarHBondContact OE1-NZ 3.05Å
564L94.6Very high93Very high5 Ų528.7 Ų28.73%0.02614%0.141CC..Hα-helixtrans-60.1-46.6176.6-169.575.4000111.5S560 I561 K567 H568 L569 I612 K636 L639S560-L564 WeakPolarHBondContact O-CB 3.49Å; S560-L564 PolarHBondContact O-N 2.84Å; I561-L564 WeakPolarHBondContact O-CB 3.39Å; I561-L564 PolarHBondContact O-N 2.94Å; L564-K567 PolarHBondContact O-N 3.2Å; L564-H568 PolarHBondContact O-N 3.47Å; L564-L569 HydrophobicContact CD2-CD1 4.03Å; L564-L569 HydrophobicContact CG-CD1 4.16Å; L564-I612 HydrophobicContact CD2-CB 4.4Å; L564-K636 HydrophobicContact CD1-CB 4.27Å; L564-L639 HydrophobicContact CD1-CD1 3.77Å; L564-L639 HydrophobicContact CG-CD1 4.22Å
565I94.5Very high92.7Very high0 Ų032.8 Ų32.80%016%0.163CC..Iπ-helixtrans-60.5-52177.7-65.9165.2000109.9F506 T510 I561 L562 K567 H568 L569 L570 W573 F603F506-I565 HydrophobicContact CD1-CD1 4.02Å; F506-I565 HydrophobicContact CE1-CD1 3.6Å; T510-I565 HydrophobicContact CG2-CG2 3.8Å; I561-I565 HydrophobicContact CG2-CD1 3.85Å; I561-I565 HydrophobicContact CG2-CG1 4.36Å; I561-I565 VanDerWaalsContact O-CG1 3.32Å; I561-I565 WeakPolarHBondContact O-CG1 3.33Å; I561-I565 PolarHBondContact O-N 2.99Å; L562-I565 PolarHBondContact O-N 2.91Å; I565-K567 VanDerWaalsContact C-N 3.25Å; I565-K567 PolarHBondContact O-N 3.03Å; I565-H568 PolarHBondContact O-N 2.91Å; I565-L569 CarbonylContact O-C 3.56Å; I565-L569 PolarHBondContact O-N 3.38Å; I565-L570 WeakPolarHBondContact O-CA 3.47Å; I565-L570 PolarHBondContact O-N 3.3Å; I565-W573 HydrophobicContact CD1-CD2 4.02Å; I565-W573 HydrophobicContact CD1-CE3 4.02Å; I565-W573 HydrophobicContact CD1-CG 4.47Å; I565-W573 HydrophobicContact CD1-CZ3 4.39Å; I565-W573 HydrophobicContact CG2-CB 3.71Å; I565-W573 HydrophobicContact CG2-CD2 4.42Å; I565-W573 HydrophobicContact CG2-CG 3.78Å; I565-F603 HydrophobicContact CD1-CE1 4.38Å; I565-F603 HydrophobicContact CD1-CE2 3.96Å; I565-F603 HydrophobicContact CD1-CZ 3.53Å; I565-F603 HydrophobicContact CG1-CE1 4.07Å; I565-F603 HydrophobicContact CG1-CZ 3.6Å
566K92.4Very high92.4Very high98 Ų9834.6 Ų34.643%0.42618%0.181SC..Iπ-helixtrans-56.8-39.5-176.7-173.6-178.7-179.6-179.40112.6V509 L562 E563V509-K566 HydrophobicContact CG1-CB 3.87Å; V509-K566 HydrophobicContact CG1-CD 3.85Å; V509-K566 HydrophobicContact CG1-CG 3.9Å; L562-K566 VanDerWaalsContact O-CB 3.28Å; L562-K566 WeakPolarHBondContact O-CB 3.39Å; L562-K566 PolarHBondContact O-N 3.37Å; E563-K566 PolarHBondContact O-N 2.86Å
567K91.9Very high92.4Very high131 Ų13133.3 Ų33.357%0.5718%0.176SC*.Iπ-helixtrans-89.3-33.4-174.4-70.2-179.4175.7176.20114.1E563 L564 I565E563-K567 HydrophobicContact CG-CD 4.08Å; E563-K567 PolarHBondContact O-N 3.39Å; E563-K567 VanDerWaalsContact O-N 3.07Å; E563-K567 WeakPolarHBondContact OE1-CE 3.5Å; E563-K567 IonicContact OE1-NZ 2.72Å; E563-K567 PolarHBondContact OE1-NZ 3.05Å; L564-K567 PolarHBondContact O-N 3.2Å; I565-K567 VanDerWaalsContact C-N 3.25Å; I565-K567 PolarHBondContact O-N 3.03Å
568H93.1Very high92.4Very high56 Ų5633.5 Ų33.526%0.25918%0.177SC..Iπ-helixtrans-129.1-21.8-167.5-61.5-80000115.3L564 I565 L639L564-H568 PolarHBondContact O-N 3.47Å; I565-H568 PolarHBondContact O-N 2.91Å; H568-L639 HydrophobicContact CB-CB 4.08Å; H568-L639 HydrophobicContact CB-CD1 3.85Å; H568-L639 PolarHBondContact ND1-O 3Å
569L93.8Very high92.2Very high0 Ų036.3 Ų36.30%019%0.191CC..Iπ-helixtrans-126.19.4-169.5-49.8168.8000113.9L564 I565 L572 W573 I578 F603 I612 L639 F644L564-L569 HydrophobicContact CD2-CD1 4.03Å; L564-L569 HydrophobicContact CG-CD1 4.16Å; I565-L569 CarbonylContact O-C 3.56Å; I565-L569 PolarHBondContact O-N 3.38Å; L569-L572 PolarHBondContact O-N 2.91Å; L569-W573 WeakPolarHBondContact O-CB 3.35Å; L569-W573 PolarHBondContact O-N 3.24Å; L569-I578 HydrophobicContact CB-CD1 4Å; L569-I578 HydrophobicContact CD1-CD1 4.37Å; L569-F603 HydrophobicContact CD1-CE1 4.07Å; L569-I612 HydrophobicContact CD1-CB 4.09Å; L569-I612 HydrophobicContact CD1-CD1 3.67Å; L569-I612 HydrophobicContact CD1-CG1 4.49Å; L569-I612 HydrophobicContact CD1-CG2 4.09Å; L569-I612 HydrophobicContact CD2-CD1 4.41Å; L569-I612 HydrophobicContact CD2-CG2 4.49Å; L569-L639 HydrophobicContact CD2-CD1 4.25Å; L569-L639 HydrophobicContact CG-CD1 4.47Å; L569-F644 HydrophobicContact CD2-CB 3.6Å; L569-F644 HydrophobicContact CD2-CD1 3.82Å; L569-F644 HydrophobicContact CD2-CG 3.83Å
570L92.4Very high92.2Very high60 Ų6035 Ų3531%0.31419%0.185SC..Hα-helixtrans-51.3-50.6-172.3-169.467.1000114T510 I565 W573 N574T510-L570 HydrophobicContact CG2-CD1 3.79Å; I565-L570 WeakPolarHBondContact O-CA 3.47Å; I565-L570 PolarHBondContact O-N 3.3Å; L570-W573 PolarHBondContact O-N 3.38Å; L570-N574 WeakPolarHBondContact O-CB 3.15Å; L570-N574 PolarHBondContact O-N 3.09Å; L570-N574 PolarHBondContact O-ND2 3.04Å; L570-N574 VanDerWaalsContact O-ND2 3.15Å
571P89.2Confident92.3Very high60 Ų6035 Ų3539%0.3918%0.183SC..Hα-helixtrans-67.1-40.5179.823.8-31000112.8W573 N574 D575 Y680P571-W573 VanDerWaalsContact C-N 3.31Å; P571-W573 PolarHBondContact O-N 3.12Å; P571-N574 PolarHBondContact O-N 2.91Å; P571-D575 PolarHBondContact O-N 3.44Å; P571-D575 VanDerWaalsContact O-N 3.12Å; P571-Y680 HydrophobicContact CB-CD1 4.1Å; P571-Y680 HydrophobicContact CB-CE1 3.59Å; P571-Y680 HydrophobicContact CG-CD1 4.37Å; P571-Y680 HydrophobicContact CG-CE1 4.33Å; P571-Y680 PolarHBondContact O-OH 3.48Å
572L91.5Very high92.1Very high4 Ų435.3 Ų35.32%0.02119%0.185CC..Hα-helixtrans-65.1-36.7179-7369.7000111.9L569 C577 I578 F644 P645 F677 Y680L569-L572 PolarHBondContact O-N 2.91Å; L572-C577 PolarHBondContact O-N 3.15Å; L572-C577 VanDerWaalsContact O-N 3.12Å; L572-I578 HydrophobicContact CB-CD1 3.73Å; L572-I578 HydrophobicContact CB-CG1 4.11Å; L572-F644 HydrophobicContact CD2-CD1 3.78Å; L572-P645 HydrophobicContact CD1-CG 3.83Å; L572-P645 HydrophobicContact CD2-CG 4.09Å; L572-P645 HydrophobicContact CG-CG 4.4Å; L572-F677 HydrophobicContact CD2-CD1 4.13Å; L572-F677 HydrophobicContact CD2-CE1 3.89Å; L572-F677 HydrophobicContact CG-CD1 4.38Å; L572-F677 HydrophobicContact CG-CE1 4.3Å; L572-Y680 HydrophobicContact CD1-CD2 4.01Å; L572-Y680 HydrophobicContact CD1-CE2 4.24Å; L572-Y680 HydrophobicContact CD1-CG 4.2Å; L572-Y680 HydrophobicContact CG-CD2 4.2Å; L572-Y680 HydrophobicContact CG-CE2 4.19Å
573W93.8Very high91.9Very high0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-67.3-52.1175.2176.5-97.4000110.5F506 T510 R512 L514 I565 L569 L570 P571 D575 G576 I578 F581 F603F506-W573 HydrophobicContact CB-CZ2 4.4Å; F506-W573 AromaticContact CD1-CE2 3.94Å; F506-W573 HydrophobicContact CD1-CH2 4.03Å; F506-W573 AromaticContact CD1-CZ2 3.46Å; F506-W573 HydrophobicContact CD1-CZ2 3.46Å; F506-W573 VanDerWaalsContact CD1-CZ2 3.46Å; F506-W573 HydrophobicContact CE1-CH2 4.23Å; F506-W573 HydrophobicContact CE1-CZ2 4.11Å; F506-W573 HydrophobicContact CG-CZ2 4.2Å; T510-W573 VanDerWaalsContact OG1-CD1 3.26Å; T510-W573 PolarHBondContact OG1-NE1 2.91Å; R512-W573 WeakPolarHBondContact CD-O 3.43Å; R512-W573 HydrophobicContact CG-CG 4.43Å; R512-W573 HydrophobicContact CG-CZ2 4.48Å; R512-W573 PolarHBondContact O-NE1 3.11Å; L514-W573 HydrophobicContact CD2-CH2 3.91Å; L514-W573 HydrophobicContact CD2-CZ2 4.11Å; I565-W573 HydrophobicContact CD1-CD2 4.02Å; I565-W573 HydrophobicContact CD1-CE3 4.02Å; I565-W573 HydrophobicContact CD1-CG 4.47Å; I565-W573 HydrophobicContact CD1-CZ3 4.39Å; I565-W573 HydrophobicContact CG2-CB 3.71Å; I565-W573 HydrophobicContact CG2-CD2 4.42Å; I565-W573 HydrophobicContact CG2-CG 3.78Å; L569-W573 WeakPolarHBondContact O-CB 3.35Å; L569-W573 PolarHBondContact O-N 3.24Å; L570-W573 PolarHBondContact O-N 3.38Å; P571-W573 VanDerWaalsContact C-N 3.31Å; P571-W573 PolarHBondContact O-N 3.12Å; W573-D575 VanDerWaalsContact C-N 3.26Å; W573-D575 PolarHBondContact O-N 3.25Å; W573-G576 PolarHBondContact O-N 3.12Å; W573-I578 HydrophobicContact CB-CD1 4.39Å; W573-I578 HydrophobicContact CE3-CB 4.11Å; W573-I578 HydrophobicContact CE3-CG2 4.03Å; W573-I578 HydrophobicContact CZ3-CG2 4.23Å; W573-F581 HydrophobicContact CH2-CE2 4.47Å; W573-F603 HydrophobicContact CE3-CE2 4.25Å; W573-F603 HydrophobicContact CE3-CZ 4.21Å; W573-F603 AromaticContact CZ3-CE2 3.79Å; W573-F603 HydrophobicContact CZ3-CE2 3.79Å; W573-F603 HydrophobicContact CZ3-CZ 4.22Å
574N88.9Confident91.6Very high29 Ų2938.4 Ų38.416%0.15520%0.2CC..Hα-helixtrans-54.5-43.4-177.6-69.6-22.7000112.3T510 K511 L570 P571 G576T510-N574 WeakPolarHBondContact CB-OD1 3.44Å; K511-N574 HydrophobicContact CB-CB 4.21Å; K511-N574 PolarHBondContact N-OD1 3.35Å; L570-N574 WeakPolarHBondContact O-CB 3.15Å; L570-N574 PolarHBondContact O-N 3.09Å; L570-N574 PolarHBondContact O-ND2 3.04Å; L570-N574 VanDerWaalsContact O-ND2 3.15Å; P571-N574 PolarHBondContact O-N 2.91Å; N574-G576 PolarHBondContact O-N 3.09Å
575D86.6Confident91.3Very high86 Ų8645.7 Ų45.746%0.4623%0.234SC..THydrogen-bonded Turntrans-81.64-176.1-64.47.9000112.5P571 W573 C577 K679 Y680P571-D575 PolarHBondContact O-N 3.44Å; P571-D575 VanDerWaalsContact O-N 3.12Å; W573-D575 VanDerWaalsContact C-N 3.26Å; W573-D575 PolarHBondContact O-N 3.25Å; D575-C577 VanDerWaalsContact C-N 3.3Å; D575-C577 PolarHBondContact O-N 3.29Å; D575-K679 IonicContact OD2-NZ 2.92Å; D575-K679 PolarHBondContact OD2-NZ 2.87Å; D575-Y680 WeakPolarHBondContact CB-OH 3.4Å; D575-Y680 PolarHBondContact OD2-OH 2.94Å
576G89.3Confident91Very high37 Ų3750.2 Ų50.238%0.38125%0.251SS..THydrogen-bonded Turntrans74.315.3173.200000114.6W573 N574 I578W573-G576 PolarHBondContact O-N 3.12Å; N574-G576 PolarHBondContact O-N 3.09Å; G576-I578 PolarHBondContact O-N 2.6Å
577C90.8Very high90.8Very high19 Ų1945.9 Ų45.913%0.12823%0.232CC..  trans-70.4-16.1177.4-56.70000112.7L572 D575 L667 F677L572-C577 PolarHBondContact O-N 3.15Å; L572-C577 VanDerWaalsContact O-N 3.12Å; D575-C577 VanDerWaalsContact C-N 3.3Å; D575-C577 PolarHBondContact O-N 3.29Å; C577-L667 HydrophobicContact CB-CD2 4.09Å; C577-F677 HydrophobicContact CB-CE1 4Å; C577-F677 HydrophobicContact CB-CZ 4.25Å
578I93.9Very high90.7Very high5 Ų546.5 Ų46.53%0.02623%0.231CC..  trans-104.3119-178.1-61.7173.1000110.2L569 L572 W573 G576 L601 F603 I612L569-I578 HydrophobicContact CB-CD1 4Å; L569-I578 HydrophobicContact CD1-CD1 4.37Å; L572-I578 HydrophobicContact CB-CD1 3.73Å; L572-I578 HydrophobicContact CB-CG1 4.11Å; W573-I578 HydrophobicContact CB-CD1 4.39Å; W573-I578 HydrophobicContact CE3-CB 4.11Å; W573-I578 HydrophobicContact CE3-CG2 4.03Å; W573-I578 HydrophobicContact CZ3-CG2 4.23Å; G576-I578 PolarHBondContact O-N 2.6Å; I578-L601 HydrophobicContact CG1-CB 4.41Å; I578-L601 HydrophobicContact CG1-CD1 3.89Å; I578-L601 HydrophobicContact CG2-CB 4.38Å; I578-F603 HydrophobicContact CG2-CE2 4.3Å; I578-F603 HydrophobicContact CG2-CZ 4.03Å; I578-I612 HydrophobicContact CD1-CD1 3.96Å; I578-I612 HydrophobicContact CG1-CD1 4.33Å; I578-I612 HydrophobicContact CG2-CD1 4.38Å
579M91.1Very high90.5Very high60 Ų6046.9 Ų46.930%0.29624%0.244SC..  trans-67.2-42.2168.9-83.8-110.9-169.100111.4Q518 F581 I582 L590 L601 Y668Q518-M579 WeakPolarHBondContact CG-O 3.43Å; Q518-M579 PolarHBondContact NE2-O 3.27Å; M579-F581 PolarHBondContact O-N 2.94Å; M579-I582 HydrophobicContact SD-CD1 4.47Å; M579-L590 HydrophobicContact CE-CD1 4.02Å; M579-L590 HydrophobicContact SD-CD1 4.49Å; M579-L601 WeakPolarHBondContact CB-O 3.32Å; M579-L601 PolarHBondContact N-O 2.86Å; M579-Y668 HydrophobicContact CE-CD1 3.07Å; M579-Y668 HydrophobicContact CE-CE1 3.26Å; M579-Y668 HydrophobicContact CE-CG 3.99Å
580G93.3Very high90.3Very high1 Ų148.9 Ų48.91%0.0125%0.254CS..BIsolated β-bridgetrans76.5-80.9171.500000113.2L601 R602 F603G580-L601 PolarHBondContact N-O 3.45Å; G580-R602 CarbonylContact O-C 3.56Å; G580-R602 VanDerWaalsContact O-CA 3.3Å; G580-R602 WeakPolarHBondContact O-CA 3.47Å; G580-R602 WeakPolarHBondContact O-CB 3.17Å; G580-F603 VanDerWaalsContact CA-CD2 3.47Å; G580-F603 PolarHBondContact O-N 2.78Å
581F94.6Very high90.1Very high8 Ų846 Ų464%0.03524%0.239CC..  trans-103.9103.2-173.2-59.6-77.8000111F506 L514 Q518 M521 L522 W557 I558 I561 W573 M579 F603F506-F581 AromaticContact CE1-CE2 3.95Å; F506-F581 HydrophobicContact CE1-CE2 3.95Å; F506-F581 HydrophobicContact CE1-CZ 4.22Å; F506-F581 HydrophobicContact CE2-CE2 4.48Å; F506-F581 AromaticContact CZ-CE2 3.71Å; F506-F581 HydrophobicContact CZ-CE2 3.71Å; F506-F581 AromaticContact CZ-CZ 3.69Å; F506-F581 HydrophobicContact CZ-CZ 3.69Å; L514-F581 HydrophobicContact CD2-CD2 3.78Å; L514-F581 HydrophobicContact CD2-CE2 3.6Å; Q518-F581 HydrophobicContact CB-CB 4.02Å; Q518-F581 HydrophobicContact CB-CD2 4.14Å; Q518-F581 HydrophobicContact CG-CB 4.16Å; Q518-F581 HydrophobicContact CG-CD2 4.24Å; M521-F581 HydrophobicContact CB-CB 4.49Å; M521-F581 HydrophobicContact SD-CB 4.16Å; L522-F581 HydrophobicContact CD1-CD1 4.47Å; L522-F581 HydrophobicContact CD1-CD2 4.48Å; L522-F581 HydrophobicContact CD1-CG 4.39Å; L522-F581 HydrophobicContact CD2-CD1 3.59Å; L522-F581 HydrophobicContact CD2-CE1 3.89Å; L522-F581 HydrophobicContact CD2-CG 4.16Å; L522-F581 HydrophobicContact CG-CB 4.49Å; L522-F581 HydrophobicContact CG-CD1 4.17Å; L522-F581 HydrophobicContact CG-CG 4.23Å; W557-F581 AromaticContact CH2-CD1 3.91Å; W557-F581 HydrophobicContact CH2-CD1 3.91Å; W557-F581 AromaticContact CH2-CE1 3.82Å; W557-F581 HydrophobicContact CH2-CE1 3.82Å; W557-F581 HydrophobicContact CZ2-CD1 4.47Å; W557-F581 HydrophobicContact CZ2-CE1 4.2Å; W557-F581 HydrophobicContact CZ3-CE1 4.34Å; I558-F581 HydrophobicContact CD1-CE1 3.71Å; I558-F581 HydrophobicContact CD1-CZ 3.9Å; I561-F581 HydrophobicContact CD1-CE1 3.78Å; I561-F581 HydrophobicContact CD1-CZ 4.11Å; I561-F581 HydrophobicContact CG2-CZ 4.09Å; W573-F581 HydrophobicContact CH2-CE2 4.47Å; M579-F581 PolarHBondContact O-N 2.94Å; F581-F603 HydrophobicContact CD2-CD2 4.46Å; F581-F603 HydrophobicContact CE1-CD2 4.17Å; F581-F603 HydrophobicContact CE2-CD2 4.07Å; F581-F603 HydrophobicContact CE2-CE2 4.21Å; F581-F603 AromaticContact CZ-CD2 3.92Å; F581-F603 HydrophobicContact CZ-CD2 3.92Å; F581-F603 HydrophobicContact CZ-CE2 4.36Å
582I91.9Very high90Very high8 Ų847.2 Ų47.24%0.04124%0.239CC..  trans-145.9137.8177.7-170168.8000109.8M579 R586 E587 L590 L600 R602M579-I582 HydrophobicContact SD-CD1 4.47Å; I582-R586 HydrophobicContact CD1-CB 4.36Å; I582-R586 HydrophobicContact CD1-CG 4.19Å; I582-R586 HydrophobicContact CG1-CB 3.96Å; I582-R586 HydrophobicContact CG1-CG 4.16Å; I582-E587 HydrophobicContact CD1-CB 4.13Å; I582-E587 HydrophobicContact CG1-CB 4.26Å; I582-E587 HydrophobicContact CG2-CB 4.33Å; I582-L590 HydrophobicContact CD1-CD1 3.54Å; I582-L590 HydrophobicContact CD1-CG 4.47Å; I582-L600 HydrophobicContact CD1-CD1 4.38Å; I582-L600 HydrophobicContact CG2-CD1 3.83Å; I582-R602 HydrophobicContact CG2-CB 3.73Å; I582-R602 HydrophobicContact CG2-CG 4.36Å
583S89.6Confident89.6Confident20 Ų2053.3 Ų53.314%0.1427%0.271CS..  trans-73.1151.2175.568.90000110.3E585 R586 E587S583-E585 PolarHBondContact O-N 3.3Å; S583-R586 PolarHBondContact O-N 3.46Å; S583-R586 WeakPolarHBondContact OG-CB 3.31Å; S583-R586 PolarHBondContact OG-N 3Å; S583-E587 VanDerWaalsContact O-CB 3.26Å; S583-E587 WeakPolarHBondContact O-CB 3.5Å; S583-E587 PolarHBondContact O-N 3.39Å
584K87.1Confident89.2Confident120 Ų12055.2 Ų55.252%0.52228%0.28SS..Hα-helixtrans-57.9-31.6177.9-68.6-175.1178.6-178.50113R588K584-R588 VanDerWaalsContact O-CG 3.29Å; K584-R588 WeakPolarHBondContact O-CG 3.37Å; K584-R588 PolarHBondContact O-N 3.24Å
585E87.8Confident89Confident157 Ų15757.4 Ų57.473%0.73429%0.289SS*.Hα-helixtrans-70.1-48.6177.7-64.3179.5-174.900111.1S583 R588 A589S583-E585 PolarHBondContact O-N 3.3Å; E585-R588 PolarHBondContact O-N 3.21Å; E585-A589 PolarHBondContact O-N 3.44Å
586R88Confident89Confident96 Ų9656.4 Ų56.436%0.36229%0.287SS..Hα-helixtrans-66.9-38178.2-169.4170.1-173.8-175.5-1.6112D517 I582 S583 R588 A589 L590D517-R586 VanDerWaalsContact CG-NH2 3.31Å; D517-R586 IonicContact OD1-CZ 3.19Å; D517-R586 IonicContact OD1-NH1 2.74Å; D517-R586 PolarHBondContact OD1-NH1 2.92Å; D517-R586 IonicContact OD1-NH2 2.78Å; D517-R586 PolarHBondContact OD1-NH2 2.94Å; D517-R586 IonicContact OD2-NH2 3.21Å; I582-R586 HydrophobicContact CD1-CB 4.36Å; I582-R586 HydrophobicContact CD1-CG 4.19Å; I582-R586 HydrophobicContact CG1-CB 3.96Å; I582-R586 HydrophobicContact CG1-CG 4.16Å; S583-R586 PolarHBondContact O-N 3.46Å; S583-R586 WeakPolarHBondContact OG-CB 3.31Å; S583-R586 PolarHBondContact OG-N 3Å; R586-R588 PolarHBondContact O-N 2.97Å; R586-A589 PolarHBondContact O-N 2.88Å; R586-L590 HydrophobicContact CG-CG 4.49Å; R586-L590 WeakPolarHBondContact O-CG 3.19Å; R586-L590 PolarHBondContact O-N 3.21Å
587E89.1Confident88.7Confident6 Ų654.8 Ų54.83%0.02827%0.271CS..Hα-helixtrans-54.1-51.2172.9168.2174.1-128.200111.6I582 S583 A589 L590 L591 L600 R602 T615I582-E587 HydrophobicContact CD1-CB 4.13Å; I582-E587 HydrophobicContact CG1-CB 4.26Å; I582-E587 HydrophobicContact CG2-CB 4.33Å; S583-E587 VanDerWaalsContact O-CB 3.26Å; S583-E587 WeakPolarHBondContact O-CB 3.5Å; S583-E587 PolarHBondContact O-N 3.39Å; E587-A589 PolarHBondContact O-N 3.3Å; E587-L590 PolarHBondContact O-N 2.88Å; E587-L591 HydrophobicContact CG-CD1 4.49Å; E587-L591 PolarHBondContact O-N 2.92Å; E587-L591 VanDerWaalsContact O-N 3.13Å; E587-L600 HydrophobicContact CG-CD1 4.05Å; E587-L600 HydrophobicContact CG-CD2 4.07Å; E587-R602 VanDerWaalsContact OE1-CD 3.26Å; E587-R602 WeakPolarHBondContact OE1-CD 3.32Å; E587-R602 IonicContact OE1-CZ 2.86Å; E587-R602 IonicContact OE1-NE 2.65Å; E587-R602 PolarHBondContact OE1-NE 3.33Å; E587-R602 IonicContact OE2-CZ 2.58Å; E587-R602 IonicContact OE2-NE 3.82Å; E587-R602 PolarHBondContact OE2-NE 3.24Å; E587-R602 IonicContact OE2-NH2 2.72Å; E587-T615 HydrophobicContact CG-CG2 4.27Å; E587-T615 WeakPolarHBondContact OE1-CB 3.47Å; E587-T615 PolarHBondContact OE1-OG1 3.1Å
588R88.8Confident88.7Confident144 Ų14453.9 Ų53.954%0.54327%0.265SS..Hα-helixtrans-64.7-40.1177.8-71.1171.8-179-174.2-1.6111.9K584 E585 R586 L591 K592 F628K584-R588 VanDerWaalsContact O-CG 3.29Å; K584-R588 WeakPolarHBondContact O-CG 3.37Å; K584-R588 PolarHBondContact O-N 3.24Å; E585-R588 PolarHBondContact O-N 3.21Å; R586-R588 PolarHBondContact O-N 2.97Å; R588-L591 PolarHBondContact O-N 3.46Å; R588-K592 WeakPolarHBondContact O-CB 3.41Å; R588-K592 PolarHBondContact O-N 3.18Å; R588-F628 HydrophobicContact CB-CE1 4.36Å; R588-F628 HydrophobicContact CB-CE2 4.24Å; R588-F628 HydrophobicContact CB-CZ 4.11Å; R588-F628 HydrophobicContact CG-CD1 4.36Å; R588-F628 HydrophobicContact CG-CD2 4.03Å; R588-F628 HydrophobicContact CG-CE1 4.49Å; R588-F628 HydrophobicContact CG-CE2 4.18Å; R588-F628 HydrophobicContact CG-CG 4.12Å; R588-F628 HydrophobicContact CG-CZ 4.39Å
589A89.6Confident88.7Confident65 Ų6553.7 Ų53.754%0.53726%0.264SS..Hα-helixtrans-61.5-43.6177.100000112.1E585 R586 E587 L591E585-A589 PolarHBondContact O-N 3.44Å; R586-A589 PolarHBondContact O-N 2.88Å; E587-A589 PolarHBondContact O-N 3.3Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 2.9Å
590L89.3Confident88.7Confident42 Ų4250.9 Ų50.922%0.2225%0.25CC..Hα-helixtrans-67.3-33.2178.3-69.5-177.4000112.9M579 I582 R586 E587 Q594 Y668M579-L590 HydrophobicContact CE-CD1 4.02Å; M579-L590 HydrophobicContact SD-CD1 4.49Å; I582-L590 HydrophobicContact CD1-CD1 3.54Å; I582-L590 HydrophobicContact CD1-CG 4.47Å; R586-L590 HydrophobicContact CG-CG 4.49Å; R586-L590 WeakPolarHBondContact O-CG 3.19Å; R586-L590 PolarHBondContact O-N 3.21Å; E587-L590 PolarHBondContact O-N 2.88Å; L590-Q594 WeakPolarHBondContact O-CG 3.11Å; L590-Y668 HydrophobicContact CB-CE2 4.23Å
591L88.1Confident88.8Confident0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-86.7-21.5-178.8-78.2179.6000114.2E587 R588 A589 D593 Q594 T598 L600 T615 V617 F628E587-L591 HydrophobicContact CG-CD1 4.49Å; E587-L591 PolarHBondContact O-N 2.92Å; E587-L591 VanDerWaalsContact O-N 3.13Å; R588-L591 PolarHBondContact O-N 3.46Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 2.9Å; L591-D593 VanDerWaalsContact C-N 3.29Å; L591-D593 PolarHBondContact O-N 3.39Å; L591-Q594 PolarHBondContact O-N 2.97Å; L591-T598 HydrophobicContact CD2-CG2 4.07Å; L591-T598 WeakPolarHBondContact CD2-O 3.32Å; L591-L600 HydrophobicContact CD1-CD2 3.41Å; L591-L600 VanDerWaalsContact CD1-CD2 3.41Å; L591-L600 HydrophobicContact CD2-CD2 3.75Å; L591-L600 HydrophobicContact CG-CD2 3.38Å; L591-T615 HydrophobicContact CD1-CG2 3.93Å; L591-V617 HydrophobicContact CB-CB 4.26Å; L591-V617 HydrophobicContact CD2-CG1 4.27Å; L591-F628 HydrophobicContact CB-CD1 3.95Å; L591-F628 HydrophobicContact CB-CE1 3.54Å; L591-F628 HydrophobicContact CD1-CD1 4.1Å
592K86.6Confident88.8Confident85 Ų8551.5 Ų51.537%0.3725%0.252SS..Hα-helixtrans-55.2-42.9-173-170.1173.7-176.5164.90113R588 R619 E625 P626 F628R588-K592 WeakPolarHBondContact O-CB 3.41Å; R588-K592 PolarHBondContact O-N 3.18Å; K592-R619 PolarHBondContact O-NH2 3.46Å; K592-E625 IonicContact NZ-OE1 2.78Å; K592-E625 PolarHBondContact NZ-OE1 3.46Å; K592-E625 IonicContact NZ-OE2 3.42Å; K592-E625 PolarHBondContact NZ-OE2 3.15Å; K592-P626 HydrophobicContact CB-CG 4.49Å; K592-P626 HydrophobicContact CG-CG 3.78Å; K592-F628 HydrophobicContact CB-CZ 4.32Å
593D83.8Confident89Confident131 Ų13151.3 Ų51.370%0.70125%0.251SS*.THydrogen-bonded Turntrans-98.49.8-174.9-60.7-35000113.6L591L591-D593 VanDerWaalsContact C-N 3.29Å; L591-D593 PolarHBondContact O-N 3.39Å
594Q85.2Confident89Confident41 Ų4150.7 Ų50.719%0.19225%0.246CC..SBendtrans-93161.5-179-61-59.6-32.300112.6L590 L591 T598 Y668 P669L590-Q594 WeakPolarHBondContact O-CG 3.11Å; L591-Q594 PolarHBondContact O-N 2.97Å; Q594-T598 HydrophobicContact CB-CG2 4.02Å; Q594-T598 HydrophobicContact CG-CG2 4.31Å; Q594-Y668 HydrophobicContact CG-CD2 4.32Å; Q594-Y668 HydrophobicContact CG-CE2 4.37Å; Q594-P669 PolarHBondContact OE1-O 3.11Å
595Q85.1Confident89Confident75 Ų7546.6 Ų46.635%0.3523%0.229SC..PPolyproline II helixtrans-65.4148.6176.858.1-179-27.700112.1G597 T598 V617 F666 N670Q595-G597 PolarHBondContact O-N 2.72Å; Q595-T598 VanDerWaalsContact CG-OG1 3.23Å; Q595-T598 WeakPolarHBondContact CG-OG1 3.09Å; Q595-T598 WeakPolarHBondContact O-CB 3.38Å; Q595-T598 PolarHBondContact O-N 2.93Å; Q595-T598 VanDerWaalsContact O-N 3.1Å; Q595-T598 PolarHBondContact O-OG1 2.95Å; Q595-T598 VanDerWaalsContact O-OG1 3.1Å; Q595-V617 WeakPolarHBondContact O-CG1 3.35Å; Q595-F666 VanDerWaalsContact CD-CD2 3.43Å; Q595-F666 VanDerWaalsContact CD-CE2 3.41Å; Q595-F666 HydrophobicContact CG-CD2 3.83Å; Q595-F666 HydrophobicContact CG-CE2 4.13Å; Q595-F666 HydrophobicContact CG-CG 4.5Å; Q595-F666 VanDerWaalsContact OE1-CE2 3.29Å; Q595-N670 PolarHBondContact NE2-OD1 3.38Å
596P85.9Confident88.9Confident64 Ų6442.5 Ų42.542%0.41622%0.218SC..THydrogen-bonded Turntrans-56.4135.5175.9-25.234.9000112.2T598 R619P596-T598 VanDerWaalsContact C-N 3.34Å; P596-R619 HydrophobicContact CG-CB 4.05Å; P596-R619 HydrophobicContact CG-CG 4.16Å
597G83.9Confident88.8Confident4 Ų439.1 Ų39.14%0.04121%0.208CC..THydrogen-bonded Turntrans852.4-175.700000114.7Q595 V617 P663 K665 F666Q595-G597 PolarHBondContact O-N 2.72Å; G597-V617 PolarHBondContact N-O 3.32Å; G597-P663 WeakPolarHBondContact CA-O 3.49Å; G597-K665 PolarHBondContact O-N 3.32Å; G597-F666 PolarHBondContact O-N 2.67Å; G597-F666 VanDerWaalsContact O-N 3.11Å
598T90.3Very high88.6Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-69.7130.3165.4-62.70000110.2L591 Q594 Q595 P596 W616 V617 F666L591-T598 HydrophobicContact CD2-CG2 4.07Å; L591-T598 WeakPolarHBondContact CD2-O 3.32Å; Q594-T598 HydrophobicContact CB-CG2 4.02Å; Q594-T598 HydrophobicContact CG-CG2 4.31Å; Q595-T598 VanDerWaalsContact CG-OG1 3.23Å; Q595-T598 WeakPolarHBondContact CG-OG1 3.09Å; Q595-T598 WeakPolarHBondContact O-CB 3.38Å; Q595-T598 PolarHBondContact O-N 2.93Å; Q595-T598 VanDerWaalsContact O-N 3.1Å; Q595-T598 PolarHBondContact O-OG1 2.95Å; Q595-T598 VanDerWaalsContact O-OG1 3.1Å; P596-T598 VanDerWaalsContact C-N 3.34Å; T598-W616 WeakPolarHBondContact O-CA 3.23Å; T598-V617 PolarHBondContact O-N 3.22Å; T598-F666 CarbonylContact C-O 3.48Å; T598-F666 WeakPolarHBondContact CA-O 3.27Å
599F92.6Very high88.3Confident0 Ų044.3 Ų44.30%023%0.232CC..EExtended strand (participates in β ladder)trans-131.7159.4-179.171.9-84000112.8L601 F614 T615 W616 I648 L664 F666 L667 Y668 K673 F677F599-L601 HydrophobicContact CD2-CD2 4.01Å; F599-L601 HydrophobicContact CE2-CD2 3.91Å; F599-L601 HydrophobicContact CE2-CG 4.46Å; F599-F614 HydrophobicContact CD2-CB 4.37Å; F599-T615 CarbonylContact C-O 3.58Å; F599-T615 WeakPolarHBondContact CA-O 3.22Å; F599-T615 WeakPolarHBondContact CB-O 3.21Å; F599-W616 HydrophobicContact CB-CB 3.7Å; F599-I648 HydrophobicContact CE2-CG2 4.34Å; F599-I648 HydrophobicContact CZ-CG2 3.98Å; F599-L664 HydrophobicContact CB-CD2 3.79Å; F599-L664 HydrophobicContact CD1-CB 3.81Å; F599-L664 HydrophobicContact CD1-CD2 3.96Å; F599-L664 HydrophobicContact CD1-CG 4.41Å; F599-L664 HydrophobicContact CD2-CD2 4.28Å; F599-L664 HydrophobicContact CE1-CB 3.79Å; F599-L664 HydrophobicContact CG-CB 4.43Å; F599-L664 HydrophobicContact CG-CD2 3.77Å; F599-L664 HydrophobicContact CZ-CB 4.37Å; F599-F666 WeakPolarHBondContact CD1-O 3.5Å; F599-F666 WeakPolarHBondContact CE1-O 3.4Å; F599-F666 PolarHBondContact N-O 3.29Å; F599-L667 HydrophobicContact CD2-CD1 4.16Å; F599-L667 HydrophobicContact CE1-CB 4.45Å; F599-L667 HydrophobicContact CE2-CD1 3.78Å; F599-L667 HydrophobicContact CZ-CB 4.27Å; F599-L667 HydrophobicContact CZ-CD1 4.17Å; F599-Y668 PolarHBondContact O-N 3.37Å; F599-K673 HydrophobicContact CE1-CB 4.41Å; F599-K673 HydrophobicContact CE1-CG 4.46Å; F599-K673 HydrophobicContact CZ-CG 4.36Å; F599-F677 HydrophobicContact CE2-CE2 4.04Å; F599-F677 HydrophobicContact CE2-CZ 4.45Å; F599-F677 HydrophobicContact CZ-CD2 4.46Å; F599-F677 AromaticContact CZ-CE2 3.72Å; F599-F677 HydrophobicContact CZ-CE2 3.72Å
600L93.1Very high88.2Confident1 Ų141.2 Ų41.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-132.2155.6171.463.1122.9000111.9I582 E587 L591 F614 T615I582-L600 HydrophobicContact CD1-CD1 4.38Å; I582-L600 HydrophobicContact CG2-CD1 3.83Å; E587-L600 HydrophobicContact CG-CD1 4.05Å; E587-L600 HydrophobicContact CG-CD2 4.07Å; L591-L600 HydrophobicContact CD1-CD2 3.41Å; L591-L600 VanDerWaalsContact CD1-CD2 3.41Å; L591-L600 HydrophobicContact CD2-CD2 3.75Å; L591-L600 HydrophobicContact CG-CD2 3.38Å; L600-F614 WeakPolarHBondContact O-CA 3.37Å; L600-F614 WeakPolarHBondContact O-CB 3.41Å; L600-T615 PolarHBondContact N-O 3.43Å; L600-T615 PolarHBondContact O-N 3.1Å
601L94.5Very high88.4Confident1 Ų139.2 Ų39.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-106.8121.8-178.7-55.1-177.1000110.4I578 M579 G580 F599 I612 F614 F644 I648 L667 F677I578-L601 HydrophobicContact CG1-CB 4.41Å; I578-L601 HydrophobicContact CG1-CD1 3.89Å; I578-L601 HydrophobicContact CG2-CB 4.38Å; M579-L601 WeakPolarHBondContact CB-O 3.32Å; M579-L601 PolarHBondContact N-O 2.86Å; G580-L601 PolarHBondContact N-O 3.45Å; F599-L601 HydrophobicContact CD2-CD2 4.01Å; F599-L601 HydrophobicContact CE2-CD2 3.91Å; F599-L601 HydrophobicContact CE2-CG 4.46Å; L601-I612 HydrophobicContact CB-CD1 4.4Å; L601-F614 HydrophobicContact CD2-CB 3.55Å; L601-F614 HydrophobicContact CD2-CG 4.47Å; L601-F644 HydrophobicContact CD1-CE1 3.88Å; L601-F644 HydrophobicContact CD2-CE1 3.87Å; L601-F644 HydrophobicContact CD2-CZ 3.99Å; L601-F644 HydrophobicContact CG-CE1 4.41Å; L601-I648 HydrophobicContact CD1-CD1 4.25Å; L601-I648 HydrophobicContact CD2-CD1 4.12Å; L601-L667 HydrophobicContact CG-CD1 4.25Å; L601-F677 HydrophobicContact CD1-CE1 3.98Å; L601-F677 HydrophobicContact CD1-CZ 3.67Å
602R94.6Very high88.6Confident22 Ų2239.2 Ų39.28%0.08320%0.196CC..EExtended strand (participates in β ladder)trans-134.4157178.567.7171.8175.869.612.1113G580 I582 E587 T613G580-R602 CarbonylContact O-C 3.56Å; G580-R602 VanDerWaalsContact O-CA 3.3Å; G580-R602 WeakPolarHBondContact O-CA 3.47Å; G580-R602 WeakPolarHBondContact O-CB 3.17Å; I582-R602 HydrophobicContact CG2-CB 3.73Å; I582-R602 HydrophobicContact CG2-CG 4.36Å; E587-R602 VanDerWaalsContact OE1-CD 3.26Å; E587-R602 WeakPolarHBondContact OE1-CD 3.32Å; E587-R602 IonicContact OE1-CZ 2.86Å; E587-R602 IonicContact OE1-NE 2.65Å; E587-R602 PolarHBondContact OE1-NE 3.33Å; E587-R602 IonicContact OE2-CZ 2.58Å; E587-R602 IonicContact OE2-NE 3.82Å; E587-R602 PolarHBondContact OE2-NE 3.24Å; E587-R602 IonicContact OE2-NH2 2.72Å; R602-T613 HydrophobicContact CG-CG2 3.66Å; R602-T613 PolarHBondContact N-O 2.89Å; R602-T613 WeakPolarHBondContact O-CG2 3.28Å; R602-T613 PolarHBondContact O-N 2.92Å
603F95.2Very high89Confident4 Ų435.2 Ų35.22%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-80.2145.9172.9-61.8-59.9000111.1I561 I565 L569 W573 I578 G580 F581 A611 I612I561-F603 HydrophobicContact CD1-CB 3.68Å; I561-F603 HydrophobicContact CD1-CD2 4.36Å; I561-F603 HydrophobicContact CD1-CG 4.04Å; I561-F603 HydrophobicContact CG1-CB 4.18Å; I561-F603 HydrophobicContact CG1-CD1 4.44Å; I561-F603 HydrophobicContact CG1-CG 4.2Å; I561-F603 HydrophobicContact CG2-CD1 3.84Å; I561-F603 HydrophobicContact CG2-CD2 3.58Å; I561-F603 HydrophobicContact CG2-CE1 3.89Å; I561-F603 HydrophobicContact CG2-CE2 3.62Å; I561-F603 HydrophobicContact CG2-CG 3.7Å; I561-F603 HydrophobicContact CG2-CZ 3.8Å; I565-F603 HydrophobicContact CD1-CE1 4.38Å; I565-F603 HydrophobicContact CD1-CE2 3.96Å; I565-F603 HydrophobicContact CD1-CZ 3.53Å; I565-F603 HydrophobicContact CG1-CE1 4.07Å; I565-F603 HydrophobicContact CG1-CZ 3.6Å; L569-F603 HydrophobicContact CD1-CE1 4.07Å; W573-F603 HydrophobicContact CE3-CE2 4.25Å; W573-F603 HydrophobicContact CE3-CZ 4.21Å; W573-F603 AromaticContact CZ3-CE2 3.79Å; W573-F603 HydrophobicContact CZ3-CE2 3.79Å; W573-F603 HydrophobicContact CZ3-CZ 4.22Å; I578-F603 HydrophobicContact CG2-CE2 4.3Å; I578-F603 HydrophobicContact CG2-CZ 4.03Å; G580-F603 VanDerWaalsContact CA-CD2 3.47Å; G580-F603 PolarHBondContact O-N 2.78Å; F581-F603 HydrophobicContact CD2-CD2 4.46Å; F581-F603 HydrophobicContact CE1-CD2 4.17Å; F581-F603 HydrophobicContact CE2-CD2 4.07Å; F581-F603 HydrophobicContact CE2-CE2 4.21Å; F581-F603 AromaticContact CZ-CD2 3.92Å; F581-F603 HydrophobicContact CZ-CD2 3.92Å; F581-F603 HydrophobicContact CZ-CE2 4.36Å; F603-A611 CarbonylContact C-O 3.53Å; F603-A611 WeakPolarHBondContact CA-O 3.13Å; F603-I612 HydrophobicContact CD1-CB 4.33Å; F603-I612 HydrophobicContact CE1-CB 4.46Å; F603-I612 HydrophobicContact CE1-CD1 4.31Å
604S91Very high89.4Confident6 Ų629 Ų294%0.04215%0.145CC..  trans-74.4127.1176.2-178.20000110.8W557 S606 S607 A611W557-S604 PolarHBondContact NE1-O 3.11Å; S604-S606 VanDerWaalsContact C-N 3.3Å; S604-S606 PolarHBondContact OG-N 3.18Å; S604-S607 PolarHBondContact OG-N 2.8Å; S604-A611 PolarHBondContact N-O 3.11Å
605E87.5Confident89.6Confident35 Ų3527.2 Ų27.216%0.16414%0.137CC..SBendtrans-83-8.7173.4-58.6177.9-102.700112.9M521 K525 W557M521-E605 VanDerWaalsContact CE-CD 3.4Å; M521-E605 HydrophobicContact CE-CG 4.14Å; M521-E605 VanDerWaalsContact CE-OE2 3.24Å; M521-E605 WeakPolarHBondContact CE-OE2 3.3Å; K525-E605 IonicContact NZ-OE2 3.29Å; K525-E605 PolarHBondContact NZ-OE2 3.21Å; W557-E605 HydrophobicContact CZ2-CB 4.43Å; W557-E605 HydrophobicContact CZ2-CG 4.03Å
606S84.8Confident89.9Confident71 Ų7124 Ų2450%0.49712%0.121SC..SBendtrans-101.9-21.2-177.6-67.30000113.4K550 S604K550-S606 PolarHBondContact NZ-OG 2.82Å; S604-S606 VanDerWaalsContact C-N 3.3Å; S604-S606 PolarHBondContact OG-N 3.18Å
607S85.3Confident90.1Very high24 Ų2420.9 Ų20.917%0.16810%0.102CC..  trans-85.7124.9-177.9-1760000111.1S604 E609S604-S607 PolarHBondContact OG-N 2.8Å; S607-E609 VanDerWaalsContact C-N 3.33Å; S607-E609 PolarHBondContact OG-N 3.23Å
608R84.8Confident90.1Very high172 Ų17224 Ų2465%0.64912%0.115SC*.THydrogen-bonded Turntrans-69.4-31.5173.2179.8179.1166.9-179.8-2.1112.5F552 S560 G610F552-R608 HydrophobicContact CB-CG 4.16Å; F552-R608 HydrophobicContact CD1-CB 3.6Å; F552-R608 HydrophobicContact CD1-CG 4Å; F552-R608 HydrophobicContact CE1-CB 3.94Å; F552-R608 HydrophobicContact CG-CB 4.25Å; F552-R608 HydrophobicContact CG-CG 4.2Å; S560-R608 PolarHBondContact OG-O 3.12Å; R608-G610 VanDerWaalsContact C-N 3.26Å; R608-G610 PolarHBondContact O-N 3.38Å
609E83Confident89.4Confident88 Ų8830.1 Ų30.141%0.41114%0.138SC..THydrogen-bonded Turntrans-85.92.1-173.9-63-168.1-173.400113.3S607 K636S607-E609 VanDerWaalsContact C-N 3.33Å; S607-E609 PolarHBondContact OG-N 3.23Å; E609-K636 WeakPolarHBondContact OE2-CE 3.49Å; E609-K636 IonicContact OE2-NZ 2.77Å
610G88Confident88.2Confident0 Ų032.8 Ų32.80%016%0.157CC..  trans73.6126.6-170.300000110.5S560 R608S560-G610 WeakPolarHBondContact OG-CA 3.16Å; S560-G610 PolarHBondContact OG-N 2.79Å; R608-G610 VanDerWaalsContact C-N 3.26Å; R608-G610 PolarHBondContact O-N 3.38Å
611A92.2Very high86.6Confident0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-148.5152177.700000110.5F603 S604 P633 Y634 T635F603-A611 CarbonylContact C-O 3.53Å; F603-A611 WeakPolarHBondContact CA-O 3.13Å; S604-A611 PolarHBondContact N-O 3.11Å; A611-P633 HydrophobicContact CB-CB 3.46Å; A611-P633 VanDerWaalsContact CB-CB 3.46Å; A611-Y634 CarbonylContact C-O 3.52Å; A611-Y634 WeakPolarHBondContact CA-O 3.41Å; A611-Y634 VanDerWaalsContact CB-O 3.28Å; A611-Y634 WeakPolarHBondContact CB-O 3.49Å; A611-T635 HydrophobicContact CB-CG2 4.07Å
612I94Very high84.7Confident0 Ų047.9 Ų47.90%023%0.232CC..EExtended strand (participates in β ladder)trans-109.4141.2173.6-171.3161.7000109.6L564 L569 I578 L601 F603 Y634 L639 F644L564-I612 HydrophobicContact CD2-CB 4.4Å; L569-I612 HydrophobicContact CD1-CB 4.09Å; L569-I612 HydrophobicContact CD1-CD1 3.67Å; L569-I612 HydrophobicContact CD1-CG1 4.49Å; L569-I612 HydrophobicContact CD1-CG2 4.09Å; L569-I612 HydrophobicContact CD2-CD1 4.41Å; L569-I612 HydrophobicContact CD2-CG2 4.49Å; I578-I612 HydrophobicContact CD1-CD1 3.96Å; I578-I612 HydrophobicContact CG1-CD1 4.33Å; I578-I612 HydrophobicContact CG2-CD1 4.38Å; L601-I612 HydrophobicContact CB-CD1 4.4Å; F603-I612 HydrophobicContact CD1-CB 4.33Å; F603-I612 HydrophobicContact CE1-CB 4.46Å; F603-I612 HydrophobicContact CE1-CD1 4.31Å; I612-Y634 PolarHBondContact N-O 3.26Å; I612-Y634 PolarHBondContact O-N 3.1Å; I612-L639 HydrophobicContact CG2-CD1 4.17Å; I612-F644 HydrophobicContact CB-CZ 4.38Å; I612-F644 HydrophobicContact CD1-CD1 4.14Å; I612-F644 HydrophobicContact CD1-CE1 3.51Å; I612-F644 HydrophobicContact CD1-CZ 3.82Å; I612-F644 HydrophobicContact CG1-CE1 3.99Å; I612-F644 HydrophobicContact CG1-CE2 4.41Å; I612-F644 HydrophobicContact CG1-CZ 3.74Å; I612-F644 HydrophobicContact CG2-CD2 3.86Å; I612-F644 HydrophobicContact CG2-CE1 4.25Å; I612-F644 HydrophobicContact CG2-CE2 3.56Å; I612-F644 HydrophobicContact CG2-CG 4.34Å; I612-F644 HydrophobicContact CG2-CZ 3.77Å
613T93.5Very high82.9Confident1 Ų150.5 Ų50.51%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-134.3157.3175.4-175.50000109R602 V631R602-T613 HydrophobicContact CG-CG2 3.66Å; R602-T613 PolarHBondContact N-O 2.89Å; R602-T613 WeakPolarHBondContact O-CG2 3.28Å; R602-T613 PolarHBondContact O-N 2.92Å; T613-V631 WeakPolarHBondContact OG1-CG2 3.41Å; T613-V631 PolarHBondContact OG1-O 3.14Å; T613-V631 VanDerWaalsContact OG1-O 3.05Å
614F92.3Very high81.3Confident0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-119.3148.7168.552.6-100.4000110.8F599 L600 L601 W616 V631 Y634 F644 I647 Y651 L664F599-F614 HydrophobicContact CD2-CB 4.37Å; L600-F614 WeakPolarHBondContact O-CA 3.37Å; L600-F614 WeakPolarHBondContact O-CB 3.41Å; L601-F614 HydrophobicContact CD2-CB 3.55Å; L601-F614 HydrophobicContact CD2-CG 4.47Å; F614-W616 AromaticContact CD2-CE3 3.96Å; F614-W616 HydrophobicContact CD2-CE3 3.96Å; F614-W616 HydrophobicContact CD2-CZ3 4.08Å; F614-W616 HydrophobicContact CE2-CE3 4.18Å; F614-W616 AromaticContact CE2-CZ3 3.97Å; F614-W616 HydrophobicContact CE2-CZ3 3.97Å; F614-V631 HydrophobicContact CD1-CG2 3.96Å; F614-V631 HydrophobicContact CD2-CG1 4.03Å; F614-V631 HydrophobicContact CD2-CG2 3.95Å; F614-V631 HydrophobicContact CE1-CG1 4.42Å; F614-V631 HydrophobicContact CE1-CG2 3.91Å; F614-V631 HydrophobicContact CE2-CB 4.27Å; F614-V631 HydrophobicContact CE2-CG1 3.33Å; F614-V631 HydrophobicContact CE2-CG2 3.9Å; F614-V631 HydrophobicContact CG-CG2 3.98Å; F614-V631 HydrophobicContact CZ-CB 4.32Å; F614-V631 HydrophobicContact CZ-CG1 3.56Å; F614-V631 HydrophobicContact CZ-CG2 3.88Å; F614-V631 PolarHBondContact O-N 3.02Å; F614-Y634 HydrophobicContact CD1-CE2 4.43Å; F614-Y634 HydrophobicContact CE1-CD2 4.41Å; F614-Y634 AromaticContact CE1-CE2 3.65Å; F614-Y634 HydrophobicContact CE1-CE2 3.65Å; F614-Y634 HydrophobicContact CZ-CE2 4.21Å; F614-F644 HydrophobicContact CD1-CE2 4.17Å; F614-F644 AromaticContact CD1-CZ 3.98Å; F614-F644 HydrophobicContact CD1-CZ 3.98Å; F614-F644 HydrophobicContact CE1-CE2 4.42Å; F614-I647 HydrophobicContact CE1-CG2 4.3Å; F614-Y651 AromaticContact CE2-CD1 3.85Å; F614-Y651 HydrophobicContact CE2-CD1 3.85Å; F614-Y651 AromaticContact CE2-CE1 3.72Å; F614-Y651 HydrophobicContact CE2-CE1 3.72Å; F614-Y651 HydrophobicContact CE2-CG 4.3Å; F614-Y651 AromaticContact CZ-CD1 3.89Å; F614-Y651 HydrophobicContact CZ-CD1 3.89Å; F614-Y651 AromaticContact CZ-CD2 3.94Å; F614-Y651 HydrophobicContact CZ-CD2 3.94Å; F614-Y651 HydrophobicContact CZ-CE1 4.02Å; F614-Y651 HydrophobicContact CZ-CE2 4.09Å; F614-Y651 AromaticContact CZ-CG 3.86Å; F614-Y651 HydrophobicContact CZ-CG 3.86Å; F614-L664 HydrophobicContact CD2-CD1 4.07Å; F614-L664 HydrophobicContact CD2-CD2 3.86Å; F614-L664 HydrophobicContact CE2-CD1 3.77Å; F614-L664 HydrophobicContact CE2-CD2 4.01Å; F614-L664 HydrophobicContact CE2-CG 4.36Å; F614-L664 HydrophobicContact CZ-CD1 4.02Å
615T91Very high80.4Confident4 Ų458.4 Ų58.43%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-128135.6177.9-54.50000108E587 L591 F599 L600 H629 A630E587-T615 HydrophobicContact CG-CG2 4.27Å; E587-T615 WeakPolarHBondContact OE1-CB 3.47Å; E587-T615 PolarHBondContact OE1-OG1 3.1Å; L591-T615 HydrophobicContact CD1-CG2 3.93Å; F599-T615 CarbonylContact C-O 3.58Å; F599-T615 WeakPolarHBondContact CA-O 3.22Å; F599-T615 WeakPolarHBondContact CB-O 3.21Å; L600-T615 PolarHBondContact N-O 3.43Å; L600-T615 PolarHBondContact O-N 3.1Å; T615-H629 CarbonylContact C-O 3.54Å; T615-H629 WeakPolarHBondContact CA-O 3.34Å; T615-H629 VanDerWaalsContact CG2-O 3.26Å; T615-H629 WeakPolarHBondContact CG2-O 3.23Å; T615-A630 HydrophobicContact CG2-CB 4.32Å
616W90.8Very high80Confident6 Ų657.5 Ų57.52%0.02331%0.311CS..EExtended strand (participates in β ladder)trans-130.9160179.871.998.4000111.5T598 F599 F614 E618 H629 V631 Y651 V653 P663 L664T598-W616 WeakPolarHBondContact O-CA 3.23Å; F599-W616 HydrophobicContact CB-CB 3.7Å; F614-W616 AromaticContact CD2-CE3 3.96Å; F614-W616 HydrophobicContact CD2-CE3 3.96Å; F614-W616 HydrophobicContact CD2-CZ3 4.08Å; F614-W616 HydrophobicContact CE2-CE3 4.18Å; F614-W616 AromaticContact CE2-CZ3 3.97Å; F614-W616 HydrophobicContact CE2-CZ3 3.97Å; W616-E618 PolarHBondContact NE1-OE1 3.09Å; W616-H629 HydrophobicContact CD2-CB 3.72Å; W616-H629 HydrophobicContact CE3-CB 3.97Å; W616-H629 VanDerWaalsContact CE3-O 3.26Å; W616-H629 HydrophobicContact CG-CB 4.46Å; W616-H629 HydrophobicContact CH2-CB 3.53Å; W616-H629 HydrophobicContact CZ2-CB 3.27Å; W616-H629 AromaticContact CZ2-CG 3.91Å; W616-H629 HydrophobicContact CZ3-CB 3.85Å; W616-H629 PolarHBondContact N-O 3.12Å; W616-H629 PolarHBondContact O-N 3.07Å; W616-V631 HydrophobicContact CH2-CG1 4.15Å; W616-V631 HydrophobicContact CZ3-CG1 3.75Å; W616-Y651 AromaticContact CH2-CE1 3.98Å; W616-Y651 HydrophobicContact CH2-CE1 3.98Å; W616-Y651 HydrophobicContact CZ2-CE1 4.44Å; W616-Y651 HydrophobicContact CZ3-CE1 4.31Å; W616-V653 HydrophobicContact CH2-CG2 4.32Å; W616-V653 HydrophobicContact CZ2-CG2 4.08Å; W616-P663 HydrophobicContact CD2-CG 4.31Å; W616-P663 HydrophobicContact CG-CB 4.45Å; W616-P663 HydrophobicContact CZ2-CB 4.4Å; W616-P663 HydrophobicContact CZ2-CG 3.85Å; W616-L664 HydrophobicContact CB-CD2 4.08Å; W616-L664 HydrophobicContact CD2-CD2 4.27Å; W616-L664 HydrophobicContact CE3-CD2 4.26Å; W616-L664 HydrophobicContact CG-CD2 4.24Å
617V89.4Confident79.8Confident0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans-106.3135.7177.7660000111.3L591 Q595 G597 T598 P626 Y627 F628L591-V617 HydrophobicContact CB-CB 4.26Å; L591-V617 HydrophobicContact CD2-CG1 4.27Å; Q595-V617 WeakPolarHBondContact O-CG1 3.35Å; G597-V617 PolarHBondContact N-O 3.32Å; T598-V617 PolarHBondContact O-N 3.22Å; V617-P626 HydrophobicContact CG2-CB 3.5Å; V617-P626 VanDerWaalsContact CG2-CB 3.5Å; V617-Y627 WeakPolarHBondContact CA-O 3.21Å; V617-F628 HydrophobicContact CB-CD1 4.42Å; V617-F628 HydrophobicContact CB-CE1 4.47Å; V617-F628 HydrophobicContact CG2-CD1 4.35Å; V617-F628 HydrophobicContact CG2-CE1 4.13Å
618E84.3Confident79.8Confident69 Ų6962 Ų6232%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-123.3144.1171.1-70.5-179.9-172.600109.7W616 Y627 H629W616-E618 PolarHBondContact NE1-OE1 3.09Å; E618-Y627 PolarHBondContact N-O 3.29Å; E618-Y627 PolarHBondContact O-N 2.88Å; E618-H629 IonicContact OE2-CD2 2.89Å; E618-H629 IonicContact OE2-NE2 2.95Å
619R76.5Confident79.9Confident129 Ų12956 Ų5649%0.48730%0.296SS..  trans-114.5130.4171.2-69.3-170.7178.5-163.9-2.3108.8K592 P596K592-R619 PolarHBondContact O-NH2 3.46Å; P596-R619 HydrophobicContact CG-CB 4.05Å; P596-R619 HydrophobicContact CG-CG 4.16Å
620S65.8Low80.1Confident56 Ų5654.6 Ų54.639%0.39230%0.298SS..  trans-69.1145.2170.1178.50000109.6N622 G623S620-N622 PolarHBondContact O-N 3.06Å; S620-G623 PolarHBondContact O-N 3.45Å
621Q60.9Low80.1Confident171 Ų17155.1 Ų55.180%0.79930%0.302SS*.THydrogen-bonded Turntrans-56.7-16.3179.9-67.4176.97.400113.3
622N54Low79.9Confident148 Ų14863.2 Ų63.279%0.79134%0.34SS*.THydrogen-bonded Turntrans-93.315.3-175-62.6-10.5000115.1S620 G624S620-N622 PolarHBondContact O-N 3.06Å; N622-G624 PolarHBondContact O-N 2.82Å
623G56.2Low79.8Confident77 Ų7765.3 Ų65.379%0.79435%0.353SS*.  trans72.724.9171.900000116S620S620-G623 PolarHBondContact O-N 3.45Å
624G63.1Low79.7Confident43 Ų4366.3 Ų66.344%0.44336%0.357SS..  trans-83.1175.817800000115.2N622N622-G624 PolarHBondContact O-N 2.82Å
625E71.3Confident79.7Confident132 Ų13267.4 Ų67.462%0.61736%0.363SS*.PPolyproline II helixtrans-53.8142.4171.9-81.2-90.6157.400111.1K592K592-E625 IonicContact NZ-OE1 2.78Å; K592-E625 PolarHBondContact NZ-OE1 3.46Å; K592-E625 IonicContact NZ-OE2 3.42Å; K592-E625 PolarHBondContact NZ-OE2 3.15Å
626P78.3Confident79.6Confident16 Ų1671.5 Ų71.510%0.10438%0.381CS..PPolyproline II helixtrans-63.1135.5-179.621.5-29.1000112.3K592 V617 F628K592-P626 HydrophobicContact CB-CG 4.49Å; K592-P626 HydrophobicContact CG-CG 3.78Å; V617-P626 HydrophobicContact CG2-CB 3.5Å; V617-P626 VanDerWaalsContact CG2-CB 3.5Å; P626-F628 HydrophobicContact CB-CZ 4.25Å; P626-F628 HydrophobicContact CG-CE2 4.36Å; P626-F628 HydrophobicContact CG-CZ 4.01Å; P626-F628 WeakPolarHBondContact O-CE2 3.47Å
627Y82.1Confident79.5Confident125 Ų12577.5 Ų77.549%0.4941%0.407SS..EExtended strand (participates in β ladder)trans-89.9132.6173.5-66.3-77.4000110.1V617 E618V617-Y627 WeakPolarHBondContact CA-O 3.21Å; E618-Y627 PolarHBondContact N-O 3.29Å; E618-Y627 PolarHBondContact O-N 2.88Å
628F85.3Confident79.5Confident64 Ų6481.2 Ų81.228%0.28143%0.425SS..EExtended strand (participates in β ladder)trans-107.1121.3177.2-54.4-81.2000109.6R588 L591 K592 V617 P626R588-F628 HydrophobicContact CB-CE1 4.36Å; R588-F628 HydrophobicContact CB-CE2 4.24Å; R588-F628 HydrophobicContact CB-CZ 4.11Å; R588-F628 HydrophobicContact CG-CD1 4.36Å; R588-F628 HydrophobicContact CG-CD2 4.03Å; R588-F628 HydrophobicContact CG-CE1 4.49Å; R588-F628 HydrophobicContact CG-CE2 4.18Å; R588-F628 HydrophobicContact CG-CG 4.12Å; R588-F628 HydrophobicContact CG-CZ 4.39Å; L591-F628 HydrophobicContact CB-CD1 3.95Å; L591-F628 HydrophobicContact CB-CE1 3.54Å; L591-F628 HydrophobicContact CD1-CD1 4.1Å; K592-F628 HydrophobicContact CB-CZ 4.32Å; V617-F628 HydrophobicContact CB-CD1 4.42Å; V617-F628 HydrophobicContact CB-CE1 4.47Å; V617-F628 HydrophobicContact CG2-CD1 4.35Å; V617-F628 HydrophobicContact CG2-CE1 4.13Å; P626-F628 HydrophobicContact CB-CZ 4.25Å; P626-F628 HydrophobicContact CG-CE2 4.36Å; P626-F628 HydrophobicContact CG-CZ 4.01Å; P626-F628 WeakPolarHBondContact O-CE2 3.47Å
629H86Confident79.7Confident48 Ų4878.4 Ų78.422%0.22241%0.412CS..EExtended strand (participates in β ladder)trans-111137.2177.2-66.4-96.3000109.4T615 W616 E618T615-H629 CarbonylContact C-O 3.54Å; T615-H629 WeakPolarHBondContact CA-O 3.34Å; T615-H629 VanDerWaalsContact CG2-O 3.26Å; T615-H629 WeakPolarHBondContact CG2-O 3.23Å; W616-H629 HydrophobicContact CD2-CB 3.72Å; W616-H629 HydrophobicContact CE3-CB 3.97Å; W616-H629 VanDerWaalsContact CE3-O 3.26Å; W616-H629 HydrophobicContact CG-CB 4.46Å; W616-H629 HydrophobicContact CH2-CB 3.53Å; W616-H629 HydrophobicContact CZ2-CB 3.27Å; W616-H629 AromaticContact CZ2-CG 3.91Å; W616-H629 HydrophobicContact CZ3-CB 3.85Å; W616-H629 PolarHBondContact N-O 3.12Å; W616-H629 PolarHBondContact O-N 3.07Å; E618-H629 IonicContact OE2-CD2 2.89Å; E618-H629 IonicContact OE2-NE2 2.95Å
630A87.8Confident80.3Confident57 Ų5776.5 Ų76.547%0.47142%0.418SS..EExtended strand (participates in β ladder)trans-132.2136.7175.500000109T615T615-A630 HydrophobicContact CG2-CB 4.32Å
631V88.2Confident81.3Confident11 Ų1177.3 Ų77.37%0.06743%0.428CS..PPolyproline II helixtrans-76.1161.9175.8-68.10000112.2T613 F614 W616 Y634 Y651T613-V631 WeakPolarHBondContact OG1-CG2 3.41Å; T613-V631 PolarHBondContact OG1-O 3.14Å; T613-V631 VanDerWaalsContact OG1-O 3.05Å; F614-V631 HydrophobicContact CD1-CG2 3.96Å; F614-V631 HydrophobicContact CD2-CG1 4.03Å; F614-V631 HydrophobicContact CD2-CG2 3.95Å; F614-V631 HydrophobicContact CE1-CG1 4.42Å; F614-V631 HydrophobicContact CE1-CG2 3.91Å; F614-V631 HydrophobicContact CE2-CB 4.27Å; F614-V631 HydrophobicContact CE2-CG1 3.33Å; F614-V631 HydrophobicContact CE2-CG2 3.9Å; F614-V631 HydrophobicContact CG-CG2 3.98Å; F614-V631 HydrophobicContact CZ-CB 4.32Å; F614-V631 HydrophobicContact CZ-CG1 3.56Å; F614-V631 HydrophobicContact CZ-CG2 3.88Å; F614-V631 PolarHBondContact O-N 3.02Å; W616-V631 HydrophobicContact CH2-CG1 4.15Å; W616-V631 HydrophobicContact CZ3-CG1 3.75Å; V631-Y634 HydrophobicContact CB-CE2 4.37Å; V631-Y634 HydrophobicContact CG2-CD2 4.4Å; V631-Y634 HydrophobicContact CG2-CE2 3.84Å; V631-Y651 HydrophobicContact CG1-CE1 4.15Å; V631-Y651 HydrophobicContact CG1-CE2 3.9Å; V631-Y651 VanDerWaalsContact CG1-CZ 3.48Å; V631-Y651 WeakPolarHBondContact CG1-OH 3.37Å
632E87.4Confident82.5Confident171 Ų17170.7 Ų70.780%0.79940%0.399SS*.PPolyproline II helixtrans-61.4134.6163.7-168.7171.7-172.800109.5Y634E632-Y634 PolarHBondContact O-N 3.05Å
633P90.8Very high84.2Confident43 Ų4366.3 Ų66.328%0.27938%0.378SS..PPolyproline II helixtrans-63.4129.3-176-24.834.7000113.9A611A611-P633 HydrophobicContact CB-CB 3.46Å; A611-P633 VanDerWaalsContact CB-CB 3.46Å
634Y91.4Very high85.9Confident23 Ų2362.8 Ų62.89%0.0934%0.341CS..EExtended strand (participates in β ladder)trans-78.6123.6175.1-63.4-81.2000111A611 I612 F614 V631 E632 E638 F644 I647A611-Y634 CarbonylContact C-O 3.52Å; A611-Y634 WeakPolarHBondContact CA-O 3.41Å; A611-Y634 VanDerWaalsContact CB-O 3.28Å; A611-Y634 WeakPolarHBondContact CB-O 3.49Å; I612-Y634 PolarHBondContact N-O 3.26Å; I612-Y634 PolarHBondContact O-N 3.1Å; F614-Y634 HydrophobicContact CD1-CE2 4.43Å; F614-Y634 HydrophobicContact CE1-CD2 4.41Å; F614-Y634 AromaticContact CE1-CE2 3.65Å; F614-Y634 HydrophobicContact CE1-CE2 3.65Å; F614-Y634 HydrophobicContact CZ-CE2 4.21Å; V631-Y634 HydrophobicContact CB-CE2 4.37Å; V631-Y634 HydrophobicContact CG2-CD2 4.4Å; V631-Y634 HydrophobicContact CG2-CE2 3.84Å; E632-Y634 PolarHBondContact O-N 3.05Å; Y634-E638 HydrophobicContact CD1-CB 3.81Å; Y634-E638 HydrophobicContact CD1-CG 4.09Å; Y634-F644 HydrophobicContact CD2-CE2 4.03Å; Y634-I647 HydrophobicContact CD1-CD1 4Å; Y634-I647 HydrophobicContact CE1-CD1 4.11Å; Y634-I647 HydrophobicContact CE1-CG2 4.15Å; Y634-I647 HydrophobicContact CE2-CG2 3.98Å; Y634-I647 HydrophobicContact CG-CD1 4.41Å
635T92.8Very high87.3Confident22 Ų2261 Ų6114%0.13532%0.322CS..EExtended strand (participates in β ladder)trans-96.5178.9176.876.70000110.7A611 K637 E638 L639A611-T635 HydrophobicContact CB-CG2 4.07Å; T635-K637 PolarHBondContact O-N 2.63Å; T635-K637 PolarHBondContact OG1-N 3.12Å; T635-K637 VanDerWaalsContact OG1-N 3.15Å; T635-E638 WeakPolarHBondContact CA-OE2 3.43Å; T635-E638 WeakPolarHBondContact CB-OE2 3.44Å; T635-E638 PolarHBondContact N-OE2 3.49Å; T635-E638 PolarHBondContact O-N 3.25Å; T635-E638 PolarHBondContact OG1-OE2 3.29Å; T635-L639 VanDerWaalsContact O-CG 3.3Å; T635-L639 WeakPolarHBondContact O-CG 3.44Å; T635-L639 PolarHBondContact O-N 3.05Å
636K89.9Confident88Confident90 Ų9055.5 Ų55.539%0.39130%0.297SS..Hα-helixtrans-52.6-26.2170.667.2-175.3175.3-168.90114L564 E609 S640L564-K636 HydrophobicContact CD1-CB 4.27Å; E609-K636 WeakPolarHBondContact OE2-CE 3.49Å; E609-K636 IonicContact OE2-NZ 2.77Å; K636-S640 WeakPolarHBondContact O-CB 3.02Å; K636-S640 PolarHBondContact O-N 2.68Å; K636-S640 PolarHBondContact O-OG 3.26Å
637K88.9Confident88.5Confident132 Ų13255 Ų5557%0.57429%0.293SS*.Hα-helixtrans-66.2-51.8-179.6-66.7-179.3-176.5173.70110.2T635 S640T635-K637 PolarHBondContact O-N 2.63Å; T635-K637 PolarHBondContact OG1-N 3.12Å; T635-K637 VanDerWaalsContact OG1-N 3.15Å; K637-S640 PolarHBondContact O-N 3.06Å; K637-S640 PolarHBondContact O-OG 3.45Å
638E88.2Confident88.8Confident79 Ų7949 Ų4937%0.36927%0.269SS..Hα-helixtrans-69.7-43.5179.8-60.770.6-140.200110.8Y634 T635 S640 A641 V642Y634-E638 HydrophobicContact CD1-CB 3.81Å; Y634-E638 HydrophobicContact CD1-CG 4.09Å; T635-E638 WeakPolarHBondContact CA-OE2 3.43Å; T635-E638 WeakPolarHBondContact CB-OE2 3.44Å; T635-E638 PolarHBondContact N-OE2 3.49Å; T635-E638 PolarHBondContact O-N 3.25Å; T635-E638 PolarHBondContact OG1-OE2 3.29Å; E638-S640 PolarHBondContact O-N 3.48Å; E638-A641 PolarHBondContact O-N 3.3Å; E638-V642 PolarHBondContact O-N 3.38Å; E638-V642 VanDerWaalsContact O-N 3.09Å
639L89.3Confident88.9Confident9 Ų951.2 Ų51.25%0.04728%0.276CS..Hα-helixtrans-67.5-15.6-180-63.3-176.3000114.2L564 H568 L569 I612 T635 V642 F644 I647L564-L639 HydrophobicContact CD1-CD1 3.77Å; L564-L639 HydrophobicContact CG-CD1 4.22Å; H568-L639 HydrophobicContact CB-CB 4.08Å; H568-L639 HydrophobicContact CB-CD1 3.85Å; H568-L639 PolarHBondContact ND1-O 3Å; L569-L639 HydrophobicContact CD2-CD1 4.25Å; L569-L639 HydrophobicContact CG-CD1 4.47Å; I612-L639 HydrophobicContact CG2-CD1 4.17Å; T635-L639 VanDerWaalsContact O-CG 3.3Å; T635-L639 WeakPolarHBondContact O-CG 3.44Å; T635-L639 PolarHBondContact O-N 3.05Å; L639-V642 CarbonylContact C-O 3.54Å; L639-V642 WeakPolarHBondContact CA-O 3.48Å; L639-F644 HydrophobicContact CD2-CB 3.74Å; L639-F644 HydrophobicContact CD2-CD2 3.73Å; L639-F644 HydrophobicContact CD2-CG 4.12Å; L639-I647 HydrophobicContact CD2-CD1 4.07Å
640S88.6Confident88.9Confident90 Ų9051.5 Ų51.563%0.62928%0.279SS*.Hα-helixtrans-80.8-23.4172.371.70000112.9K636 K637 E638K636-S640 WeakPolarHBondContact O-CB 3.02Å; K636-S640 PolarHBondContact O-N 2.68Å; K636-S640 PolarHBondContact O-OG 3.26Å; K637-S640 PolarHBondContact O-N 3.06Å; K637-S640 PolarHBondContact O-OG 3.45Å; E638-S640 PolarHBondContact O-N 3.48Å
641A86.9Confident88.8Confident73 Ų7348.8 Ų48.860%0.60326%0.257SS*.Hα-helixtrans-90.6-43.1179.300000112E638E638-A641 PolarHBondContact O-N 3.3Å
642V86.9Confident88.4Confident31 Ų3152.3 Ų52.319%0.18827%0.271CS..SBendtrans-133.5136.7-179.8-173.40000109.2E638 L639 D646 I647 L706E638-V642 PolarHBondContact O-N 3.38Å; E638-V642 VanDerWaalsContact O-N 3.09Å; L639-V642 CarbonylContact C-O 3.54Å; L639-V642 WeakPolarHBondContact CA-O 3.48Å; V642-D646 HydrophobicContact CG1-CB 3.87Å; V642-I647 HydrophobicContact CB-CD1 4.4Å; V642-I647 HydrophobicContact CB-CG1 4.05Å; V642-I647 HydrophobicContact CG1-CG1 3.79Å; V642-L706 HydrophobicContact CG2-CB 4.01Å; V642-L706 HydrophobicContact CG2-CD1 4.43Å
643T89Confident87.9Confident57 Ų5745 Ų4535%0.3524%0.238SC..  trans-67147178.880.40000110.6D646 I647T643-D646 PolarHBondContact O-N 3.47Å; T643-D646 VanDerWaalsContact O-N 3.09Å; T643-D646 WeakPolarHBondContact OG1-CB 3.4Å; T643-D646 PolarHBondContact OG1-N 3.02Å; T643-D646 PolarHBondContact OG1-OD2 3.25Å; T643-I647 WeakPolarHBondContact O-CG1 3.41Å; T643-I647 PolarHBondContact O-N 2.91Å
644F91.6Very high86.9Confident2 Ų246.2 Ų46.21%0.00924%0.241CC..Hα-helixtrans-59.7-40.3-179.7-165.4-120.4000113.9L569 L572 L601 I612 F614 Y634 L639 D646 I647 I648L569-F644 HydrophobicContact CD2-CB 3.6Å; L569-F644 HydrophobicContact CD2-CD1 3.82Å; L569-F644 HydrophobicContact CD2-CG 3.83Å; L572-F644 HydrophobicContact CD2-CD1 3.78Å; L601-F644 HydrophobicContact CD1-CE1 3.88Å; L601-F644 HydrophobicContact CD2-CE1 3.87Å; L601-F644 HydrophobicContact CD2-CZ 3.99Å; L601-F644 HydrophobicContact CG-CE1 4.41Å; I612-F644 HydrophobicContact CB-CZ 4.38Å; I612-F644 HydrophobicContact CD1-CD1 4.14Å; I612-F644 HydrophobicContact CD1-CE1 3.51Å; I612-F644 HydrophobicContact CD1-CZ 3.82Å; I612-F644 HydrophobicContact CG1-CE1 3.99Å; I612-F644 HydrophobicContact CG1-CE2 4.41Å; I612-F644 HydrophobicContact CG1-CZ 3.74Å; I612-F644 HydrophobicContact CG2-CD2 3.86Å; I612-F644 HydrophobicContact CG2-CE1 4.25Å; I612-F644 HydrophobicContact CG2-CE2 3.56Å; I612-F644 HydrophobicContact CG2-CG 4.34Å; I612-F644 HydrophobicContact CG2-CZ 3.77Å; F614-F644 HydrophobicContact CD1-CE2 4.17Å; F614-F644 AromaticContact CD1-CZ 3.98Å; F614-F644 HydrophobicContact CD1-CZ 3.98Å; F614-F644 HydrophobicContact CE1-CE2 4.42Å; Y634-F644 HydrophobicContact CD2-CE2 4.03Å; L639-F644 HydrophobicContact CD2-CB 3.74Å; L639-F644 HydrophobicContact CD2-CD2 3.73Å; L639-F644 HydrophobicContact CD2-CG 4.12Å; F644-D646 VanDerWaalsContact C-N 3.32Å; F644-D646 PolarHBondContact O-N 3Å; F644-I647 HydrophobicContact CD2-CD1 4.44Å; F644-I647 WeakPolarHBondContact O-CB 3.31Å; F644-I647 PolarHBondContact O-N 2.99Å; F644-I648 HydrophobicContact CD1-CD1 3.83Å; F644-I648 HydrophobicContact CE1-CD1 3.62Å; F644-I648 HydrophobicContact CE1-CG1 4.34Å; F644-I648 HydrophobicContact CZ-CD1 4.16Å; F644-I648 HydrophobicContact CZ-CG1 4.43Å; F644-I648 WeakPolarHBondContact O-CG1 3.49Å; F644-I648 PolarHBondContact O-N 3.36Å
645P91.9Very high85.5Confident6 Ų646.8 Ų46.84%0.03925%0.25CS..Hα-helixtrans-57.7-40.5171.2-2736.1000113.8L572 I648 R649 Y680 Y681L572-P645 HydrophobicContact CD1-CG 3.83Å; L572-P645 HydrophobicContact CD2-CG 4.09Å; L572-P645 HydrophobicContact CG-CG 4.4Å; P645-I648 PolarHBondContact O-N 3.12Å; P645-R649 WeakPolarHBondContact O-CB 3.45Å; P645-R649 PolarHBondContact O-N 3.17Å; P645-Y680 HydrophobicContact CG-CG 4.43Å; P645-Y681 HydrophobicContact CB-CD1 4Å; P645-Y681 HydrophobicContact CB-CE1 4.33Å
646D87.5Confident83.9Confident17 Ų1751.2 Ų51.29%0.09129%0.289CS..Hα-helixtrans-70.6-34.2179-63.6-36.4000111.5V642 T643 F644 R649 N650 S682V642-D646 HydrophobicContact CG1-CB 3.87Å; T643-D646 PolarHBondContact O-N 3.47Å; T643-D646 VanDerWaalsContact O-N 3.09Å; T643-D646 WeakPolarHBondContact OG1-CB 3.4Å; T643-D646 PolarHBondContact OG1-N 3.02Å; T643-D646 PolarHBondContact OG1-OD2 3.25Å; F644-D646 VanDerWaalsContact C-N 3.32Å; F644-D646 PolarHBondContact O-N 3Å; D646-R649 PolarHBondContact O-N 3.26Å; D646-N650 WeakPolarHBondContact O-CB 3.42Å; D646-N650 PolarHBondContact O-N 3.49Å; D646-S682 PolarHBondContact OD1-N 3.34Å; D646-S682 WeakPolarHBondContact OD2-CB 3.39Å; D646-S682 PolarHBondContact OD2-OG 2.97Å
647I88.6Confident82.3Confident4 Ų452.9 Ų52.92%0.02130%0.298CS..Hα-helixtrans-58.7-51.7169.3-64.9171000109.1F614 Y634 L639 V642 T643 F644 R649 N650 Y651F614-I647 HydrophobicContact CE1-CG2 4.3Å; Y634-I647 HydrophobicContact CD1-CD1 4Å; Y634-I647 HydrophobicContact CE1-CD1 4.11Å; Y634-I647 HydrophobicContact CE1-CG2 4.15Å; Y634-I647 HydrophobicContact CE2-CG2 3.98Å; Y634-I647 HydrophobicContact CG-CD1 4.41Å; L639-I647 HydrophobicContact CD2-CD1 4.07Å; V642-I647 HydrophobicContact CB-CD1 4.4Å; V642-I647 HydrophobicContact CB-CG1 4.05Å; V642-I647 HydrophobicContact CG1-CG1 3.79Å; T643-I647 WeakPolarHBondContact O-CG1 3.41Å; T643-I647 PolarHBondContact O-N 2.91Å; F644-I647 HydrophobicContact CD2-CD1 4.44Å; F644-I647 WeakPolarHBondContact O-CB 3.31Å; F644-I647 PolarHBondContact O-N 2.99Å; I647-R649 VanDerWaalsContact C-N 3.29Å; I647-R649 PolarHBondContact O-N 3.36Å; I647-N650 PolarHBondContact O-N 2.94Å; I647-Y651 WeakPolarHBondContact O-CA 3.34Å; I647-Y651 WeakPolarHBondContact O-CB 3.49Å; I647-Y651 PolarHBondContact O-N 3.08Å
648I88.8Confident81.1Confident0 Ų051.7 Ų51.70%030%0.298CS..Hα-helixtrans-58.7-40.5178.7-69.3168.4000111.7F599 L601 F644 P645 N662 L664 K673 F677F599-I648 HydrophobicContact CE2-CG2 4.34Å; F599-I648 HydrophobicContact CZ-CG2 3.98Å; L601-I648 HydrophobicContact CD1-CD1 4.25Å; L601-I648 HydrophobicContact CD2-CD1 4.12Å; F644-I648 HydrophobicContact CD1-CD1 3.83Å; F644-I648 HydrophobicContact CE1-CD1 3.62Å; F644-I648 HydrophobicContact CE1-CG1 4.34Å; F644-I648 HydrophobicContact CZ-CD1 4.16Å; F644-I648 HydrophobicContact CZ-CG1 4.43Å; F644-I648 WeakPolarHBondContact O-CG1 3.49Å; F644-I648 PolarHBondContact O-N 3.36Å; P645-I648 PolarHBondContact O-N 3.12Å; I648-N662 PolarHBondContact O-ND2 3.37Å; I648-L664 HydrophobicContact CG2-CD1 4.14Å; I648-K673 HydrophobicContact CG2-CD 3.81Å; I648-K673 HydrophobicContact CG2-CG 3.81Å; I648-F677 HydrophobicContact CD1-CD1 4.26Å; I648-F677 HydrophobicContact CD1-CD2 4.48Å; I648-F677 HydrophobicContact CD1-CE1 3.92Å; I648-F677 HydrophobicContact CD1-CE2 4.19Å; I648-F677 HydrophobicContact CD1-CZ 3.9Å; I648-F677 HydrophobicContact CG2-CD2 4.05Å; I648-F677 HydrophobicContact CG2-CE2 4.3Å
649R87.3Confident80.1Confident110 Ų11052 Ų5242%0.41530%0.301SS..Hα-helixtrans-64.8-49.4179.7-171.4-176.7179.5-175.2-1.3112.2P645 D646 I647 N662 Y681P645-R649 WeakPolarHBondContact O-CB 3.45Å; P645-R649 PolarHBondContact O-N 3.17Å; D646-R649 PolarHBondContact O-N 3.26Å; I647-R649 VanDerWaalsContact C-N 3.29Å; I647-R649 PolarHBondContact O-N 3.36Å; R649-N662 PolarHBondContact O-ND2 2.91Å; R649-Y681 HydrophobicContact CB-CD1 4.1Å; R649-Y681 HydrophobicContact CB-CE1 3.68Å; R649-Y681 HydrophobicContact CG-CD1 4.4Å; R649-Y681 HydrophobicContact CG-CD2 4.48Å; R649-Y681 HydrophobicContact CG-CE1 4.1Å; R649-Y681 HydrophobicContact CG-CE2 4.16Å
650N84.9Confident79.3Confident54 Ų5454.7 Ų54.729%0.28932%0.319SS..Hα-helixtrans-98.5-2.5-168.2-63.4-16.9000113.5D646 I647 K652 I707D646-N650 WeakPolarHBondContact O-CB 3.42Å; D646-N650 PolarHBondContact O-N 3.49Å; I647-N650 PolarHBondContact O-N 2.94Å; N650-K652 PolarHBondContact O-N 2.96Å; N650-I707 VanDerWaalsContact O-CG2 3.28Å; N650-I707 WeakPolarHBondContact O-CG2 3.44Å
651Y84.9Confident78.7Confident1 Ų155 Ų550%0.00431%0.311CS..  trans-55.8133.1179.5-172.6-115.7000111.3F614 W616 V631 I647 V653 N662 P663 L664 S708 S710F614-Y651 AromaticContact CE2-CD1 3.85Å; F614-Y651 HydrophobicContact CE2-CD1 3.85Å; F614-Y651 AromaticContact CE2-CE1 3.72Å; F614-Y651 HydrophobicContact CE2-CE1 3.72Å; F614-Y651 HydrophobicContact CE2-CG 4.3Å; F614-Y651 AromaticContact CZ-CD1 3.89Å; F614-Y651 HydrophobicContact CZ-CD1 3.89Å; F614-Y651 AromaticContact CZ-CD2 3.94Å; F614-Y651 HydrophobicContact CZ-CD2 3.94Å; F614-Y651 HydrophobicContact CZ-CE1 4.02Å; F614-Y651 HydrophobicContact CZ-CE2 4.09Å; F614-Y651 AromaticContact CZ-CG 3.86Å; F614-Y651 HydrophobicContact CZ-CG 3.86Å; W616-Y651 AromaticContact CH2-CE1 3.98Å; W616-Y651 HydrophobicContact CH2-CE1 3.98Å; W616-Y651 HydrophobicContact CZ2-CE1 4.44Å; W616-Y651 HydrophobicContact CZ3-CE1 4.31Å; V631-Y651 HydrophobicContact CG1-CE1 4.15Å; V631-Y651 HydrophobicContact CG1-CE2 3.9Å; V631-Y651 VanDerWaalsContact CG1-CZ 3.48Å; V631-Y651 WeakPolarHBondContact CG1-OH 3.37Å; I647-Y651 WeakPolarHBondContact O-CA 3.34Å; I647-Y651 WeakPolarHBondContact O-CB 3.49Å; I647-Y651 PolarHBondContact O-N 3.08Å; Y651-V653 HydrophobicContact CD1-CG2 4.09Å; Y651-V653 HydrophobicContact CE1-CG2 3.22Å; Y651-V653 VanDerWaalsContact CZ-CG2 3.46Å; Y651-V653 VanDerWaalsContact OH-CG2 3.31Å; Y651-V653 WeakPolarHBondContact OH-CG2 3.36Å; Y651-N662 WeakPolarHBondContact O-CA 3.13Å; Y651-N662 WeakPolarHBondContact O-CB 3.3Å; Y651-N662 PolarHBondContact O-ND2 3.5Å; Y651-N662 PolarHBondContact O-OD1 3.21Å; Y651-P663 HydrophobicContact CD1-CG 4.11Å; Y651-P663 HydrophobicContact CE1-CG 3.98Å; Y651-L664 HydrophobicContact CD1-CD1 4.13Å; Y651-L664 HydrophobicContact CD1-CG 4.25Å; Y651-S708 WeakPolarHBondContact CD2-O 3.32Å; Y651-S710 WeakPolarHBondContact OH-CB 3.41Å; Y651-S710 PolarHBondContact OH-OG 3.38Å
652K80.7Confident78.3Confident85 Ų8553.2 Ų53.237%0.3729%0.291SS..EExtended strand (participates in β ladder)trans-132.8142.6176.3-65.6-175.9-177.6-1720110.3N650 P660 E661 S708 V709 S710N650-K652 PolarHBondContact O-N 2.96Å; K652-P660 HydrophobicContact CB-CB 4.44Å; K652-P660 HydrophobicContact CD-CB 4.25Å; K652-E661 WeakPolarHBondContact CA-O 3.38Å; K652-S708 PolarHBondContact N-O 2.96Å; K652-V709 HydrophobicContact CB-CG2 4.45Å; K652-V709 WeakPolarHBondContact O-CA 3.36Å; K652-S710 PolarHBondContact O-N 3.14Å
653V77.5Confident78.1Confident16 Ų1652.6 Ų52.610%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-126.9145.9171.9-172.20000107.6W616 Y651 A655 E661 P663 V712W616-V653 HydrophobicContact CH2-CG2 4.32Å; W616-V653 HydrophobicContact CZ2-CG2 4.08Å; Y651-V653 HydrophobicContact CD1-CG2 4.09Å; Y651-V653 HydrophobicContact CE1-CG2 3.22Å; Y651-V653 VanDerWaalsContact CZ-CG2 3.46Å; Y651-V653 VanDerWaalsContact OH-CG2 3.31Å; Y651-V653 WeakPolarHBondContact OH-CG2 3.36Å; V653-A655 PolarHBondContact O-N 3.39Å; V653-A655 VanDerWaalsContact O-N 3.11Å; V653-E661 PolarHBondContact N-O 3.15Å; V653-E661 PolarHBondContact O-N 3.47Å; V653-E661 VanDerWaalsContact O-N 3.12Å; V653-P663 HydrophobicContact CB-CG 4.41Å; V653-P663 HydrophobicContact CG2-CG 3.81Å; V653-V712 HydrophobicContact CG1-CG2 4.19Å
654M68.7Low78Confident70 Ų7050 Ų5035%0.34527%0.271SS..EExtended strand (participates in β ladder)trans-68108.1170.4-62.7-64.6-83.200108.1N658 P660 V712M654-N658 HydrophobicContact CE-CB 4.49Å; M654-P660 HydrophobicContact SD-CB 4.21Å; M654-V712 HydrophobicContact CB-CG2 4.45Å; M654-V712 WeakPolarHBondContact O-CG2 3.33Å
655A62.5Low77.8Confident35 Ų3555.4 Ų55.429%0.28930%0.295SS..  trans-66167.7175.300000110.5V653 E657 N658 I659V653-A655 PolarHBondContact O-N 3.39Å; V653-A655 VanDerWaalsContact O-N 3.11Å; A655-E657 PolarHBondContact O-N 3.03Å; A655-N658 PolarHBondContact O-N 3.49Å; A655-I659 WeakPolarHBondContact CB-O 3.24Å; A655-I659 PolarHBondContact N-O 2.94Å; A655-I659 VanDerWaalsContact N-O 3.09Å
656A59.4Low77.7Confident115 Ų11557.2 Ų57.295%0.9530%0.302SS*.THydrogen-bonded Turntrans-55.5-16176.900000113.9
657E56.5Low77.9Confident124 Ų12456.8 Ų56.858%0.57930%0.3SS*.THydrogen-bonded Turntrans-97.810179.4-59.7175-175.300113.3A655 I659A655-E657 PolarHBondContact O-N 3.03Å; E657-I659 HydrophobicContact CB-CD1 4.42Å; E657-I659 HydrophobicContact CB-CG1 4.49Å; E657-I659 PolarHBondContact O-N 2.78Å; E657-I659 VanDerWaalsContact O-N 3.17Å
658N63.2Low77.8Confident108 Ų10859.4 Ų59.458%0.57831%0.31SS*.SBendtrans58.618.3-174.6-74-35.1000115.2M654 A655M654-N658 HydrophobicContact CE-CB 4.49Å; A655-N658 PolarHBondContact O-N 3.49Å
659I67.5Low77.6Confident84 Ų8462.9 Ų62.943%0.43133%0.333SS..  trans-96.6128.1173.7-58.7171.3000108.4A655 E657 E661A655-I659 WeakPolarHBondContact CB-O 3.24Å; A655-I659 PolarHBondContact N-O 2.94Å; A655-I659 VanDerWaalsContact N-O 3.09Å; E657-I659 HydrophobicContact CB-CD1 4.42Å; E657-I659 HydrophobicContact CB-CG1 4.49Å; E657-I659 PolarHBondContact O-N 2.78Å; E657-I659 VanDerWaalsContact O-N 3.17Å; I659-E661 HydrophobicContact CB-CG 4.48Å; I659-E661 HydrophobicContact CG2-CG 3.96Å; I659-E661 PolarHBondContact O-N 3.25Å; I659-E661 VanDerWaalsContact O-N 3.12Å
660P71.4Confident77.5Confident66 Ų6662 Ų6243%0.42934%0.336SS..EExtended strand (participates in β ladder)trans-76.4100.1179.329.5-33.2000110.4K652 M654K652-P660 HydrophobicContact CB-CB 4.44Å; K652-P660 HydrophobicContact CD-CB 4.25Å; M654-P660 HydrophobicContact SD-CB 4.21Å
661E76.7Confident77.6Confident98 Ų9862.6 Ų62.646%0.45834%0.339SS..EExtended strand (participates in β ladder)trans-112.5154.3179.8-62.6-164.4166.100111.6K652 V653 I659 P663K652-E661 WeakPolarHBondContact CA-O 3.38Å; V653-E661 PolarHBondContact N-O 3.15Å; V653-E661 PolarHBondContact O-N 3.47Å; V653-E661 VanDerWaalsContact O-N 3.12Å; I659-E661 HydrophobicContact CB-CG 4.48Å; I659-E661 HydrophobicContact CG2-CG 3.96Å; I659-E661 PolarHBondContact O-N 3.25Å; I659-E661 VanDerWaalsContact O-N 3.12Å; E661-P663 VanDerWaalsContact O-CD 3.27Å; E661-P663 WeakPolarHBondContact O-CD 3.43Å
662N79.6Confident77.8Confident34 Ų3467.1 Ų67.118%0.18236%0.363CS..  trans-85.6111.5169.9-171.8-20.7000108.5I648 R649 Y651 L664 K673I648-N662 PolarHBondContact O-ND2 3.37Å; R649-N662 PolarHBondContact O-ND2 2.91Å; Y651-N662 WeakPolarHBondContact O-CA 3.13Å; Y651-N662 WeakPolarHBondContact O-CB 3.3Å; Y651-N662 PolarHBondContact O-ND2 3.5Å; Y651-N662 PolarHBondContact O-OD1 3.21Å; N662-L664 PolarHBondContact O-N 2.93Å; N662-L664 WeakPolarHBondContact OD1-CA 3.43Å; N662-L664 WeakPolarHBondContact OD1-CB 3.24Å; N662-L664 WeakPolarHBondContact OD1-CG 3.45Å; N662-L664 PolarHBondContact OD1-N 2.95Å; N662-K673 PolarHBondContact ND2-NZ 3.2Å
663P82.9Confident78.2Confident18 Ų1864.4 Ų64.412%0.11735%0.351CS..  trans-71.8-14.3-179.730.9-36.5000112.9G597 W616 Y651 V653 E661 K665G597-P663 WeakPolarHBondContact CA-O 3.49Å; W616-P663 HydrophobicContact CD2-CG 4.31Å; W616-P663 HydrophobicContact CG-CB 4.45Å; W616-P663 HydrophobicContact CZ2-CB 4.4Å; W616-P663 HydrophobicContact CZ2-CG 3.85Å; Y651-P663 HydrophobicContact CD1-CG 4.11Å; Y651-P663 HydrophobicContact CE1-CG 3.98Å; V653-P663 HydrophobicContact CB-CG 4.41Å; V653-P663 HydrophobicContact CG2-CG 3.81Å; E661-P663 VanDerWaalsContact O-CD 3.27Å; E661-P663 WeakPolarHBondContact O-CD 3.43Å; P663-K665 PolarHBondContact O-N 2.81Å
664L86.6Confident78.7Confident2 Ų268 Ų681%0.0137%0.37CS..  trans-83.6109.2-176.6-49.4178.5000110.3F599 F614 W616 I648 Y651 N662 K673F599-L664 HydrophobicContact CB-CD2 3.79Å; F599-L664 HydrophobicContact CD1-CB 3.81Å; F599-L664 HydrophobicContact CD1-CD2 3.96Å; F599-L664 HydrophobicContact CD1-CG 4.41Å; F599-L664 HydrophobicContact CD2-CD2 4.28Å; F599-L664 HydrophobicContact CE1-CB 3.79Å; F599-L664 HydrophobicContact CG-CB 4.43Å; F599-L664 HydrophobicContact CG-CD2 3.77Å; F599-L664 HydrophobicContact CZ-CB 4.37Å; F614-L664 HydrophobicContact CD2-CD1 4.07Å; F614-L664 HydrophobicContact CD2-CD2 3.86Å; F614-L664 HydrophobicContact CE2-CD1 3.77Å; F614-L664 HydrophobicContact CE2-CD2 4.01Å; F614-L664 HydrophobicContact CE2-CG 4.36Å; F614-L664 HydrophobicContact CZ-CD1 4.02Å; W616-L664 HydrophobicContact CB-CD2 4.08Å; W616-L664 HydrophobicContact CD2-CD2 4.27Å; W616-L664 HydrophobicContact CE3-CD2 4.26Å; W616-L664 HydrophobicContact CG-CD2 4.24Å; I648-L664 HydrophobicContact CG2-CD1 4.14Å; Y651-L664 HydrophobicContact CD1-CD1 4.13Å; Y651-L664 HydrophobicContact CD1-CG 4.25Å; N662-L664 PolarHBondContact O-N 2.93Å; N662-L664 WeakPolarHBondContact OD1-CA 3.43Å; N662-L664 WeakPolarHBondContact OD1-CB 3.24Å; N662-L664 WeakPolarHBondContact OD1-CG 3.45Å; N662-L664 PolarHBondContact OD1-N 2.95Å; L664-K673 HydrophobicContact CB-CD 4.34Å
665K86.4Confident79.6Confident117 Ų11772 Ų7251%0.50939%0.387SS..  trans-114.1-50.2-179.7-61.9-171.6179.5-1790112.2G597 P663 K673G597-K665 PolarHBondContact O-N 3.32Å; P663-K665 PolarHBondContact O-N 2.81Å; K665-K673 WeakPolarHBondContact O-CB 3.23Å; K665-K673 PolarHBondContact O-N 3.14Å
666F89.9Confident80.6Confident43 Ų4370.7 Ų70.719%0.18938%0.377CS..EExtended strand (participates in β ladder)trans-125.1130.3-173.8-52.2-81000111.5Q595 G597 T598 F599 I671 D672Q595-F666 VanDerWaalsContact CD-CD2 3.43Å; Q595-F666 VanDerWaalsContact CD-CE2 3.41Å; Q595-F666 HydrophobicContact CG-CD2 3.83Å; Q595-F666 HydrophobicContact CG-CE2 4.13Å; Q595-F666 HydrophobicContact CG-CG 4.5Å; Q595-F666 VanDerWaalsContact OE1-CE2 3.29Å; G597-F666 PolarHBondContact O-N 2.67Å; G597-F666 VanDerWaalsContact O-N 3.11Å; T598-F666 CarbonylContact C-O 3.48Å; T598-F666 WeakPolarHBondContact CA-O 3.27Å; F599-F666 WeakPolarHBondContact CD1-O 3.5Å; F599-F666 WeakPolarHBondContact CE1-O 3.4Å; F599-F666 PolarHBondContact N-O 3.29Å; F666-I671 CarbonylContact C-O 3.43Å; F666-I671 VanDerWaalsContact CA-O 3.28Å; F666-I671 WeakPolarHBondContact CA-O 3.49Å; F666-D672 WeakPolarHBondContact CD1-OD1 3.38Å; F666-D672 WeakPolarHBondContact CE1-OD1 3.42Å
667L91.7Very high82.1Confident8 Ų865.2 Ų65.24%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-78.4133.4166-176.268.5000109.2C577 F599 L601 N670 I671 A676 F677C577-L667 HydrophobicContact CB-CD2 4.09Å; F599-L667 HydrophobicContact CD2-CD1 4.16Å; F599-L667 HydrophobicContact CE1-CB 4.45Å; F599-L667 HydrophobicContact CE2-CD1 3.78Å; F599-L667 HydrophobicContact CZ-CB 4.27Å; F599-L667 HydrophobicContact CZ-CD1 4.17Å; L601-L667 HydrophobicContact CG-CD1 4.25Å; L667-N670 PolarHBondContact O-N 3.35Å; L667-N670 VanDerWaalsContact O-N 3.14Å; L667-I671 HydrophobicContact CB-CB 4.4Å; L667-I671 PolarHBondContact N-O 2.96Å; L667-I671 PolarHBondContact O-N 3.25Å; L667-A676 HydrophobicContact CB-CB 4.37Å; L667-A676 HydrophobicContact CD2-CB 3.78Å; L667-F677 HydrophobicContact CB-CE2 4.36Å; L667-F677 HydrophobicContact CD1-CE2 4.19Å; L667-F677 HydrophobicContact CD1-CZ 4.07Å; L667-F677 HydrophobicContact CD2-CE2 3.97Å; L667-F677 HydrophobicContact CD2-CZ 3.85Å; L667-F677 HydrophobicContact CG-CE2 4.41Å; L667-F677 HydrophobicContact CG-CZ 4.5Å
668Y86.6Confident83.5Confident60 Ų6060.8 Ų60.824%0.23532%0.319CS..THydrogen-bonded Turntrans-55.1135.9174.7-177.8-83.9000111.5M579 L590 Q594 F599M579-Y668 HydrophobicContact CE-CD1 3.07Å; M579-Y668 HydrophobicContact CE-CE1 3.26Å; M579-Y668 HydrophobicContact CE-CG 3.99Å; L590-Y668 HydrophobicContact CB-CE2 4.23Å; Q594-Y668 HydrophobicContact CG-CD2 4.32Å; Q594-Y668 HydrophobicContact CG-CE2 4.37Å; F599-Y668 PolarHBondContact O-N 3.37Å
669P83.8Confident84.5Confident72 Ų7262 Ų6247%0.46832%0.319SS..THydrogen-bonded Turncis-82.1-25.99.5-16.631.9000117.2Q594Q594-P669 PolarHBondContact OE1-O 3.11Å
670N86Confident85.5Confident91 Ų9160 Ų6049%0.48731%0.307SS..THydrogen-bonded Turntrans179.554.8176-85.7-37.5000109.8Q595 L667Q595-N670 PolarHBondContact NE2-OD1 3.38Å; L667-N670 PolarHBondContact O-N 3.35Å; L667-N670 VanDerWaalsContact O-N 3.14Å
671I87.3Confident86.3Confident67 Ų6758.3 Ų58.334%0.34429%0.292SS..EExtended strand (participates in β ladder)trans-106.5129.2-178.7-56.5171.6000108F666 L667 K673 H675 A676F666-I671 CarbonylContact C-O 3.43Å; F666-I671 VanDerWaalsContact CA-O 3.28Å; F666-I671 WeakPolarHBondContact CA-O 3.49Å; L667-I671 HydrophobicContact CB-CB 4.4Å; L667-I671 PolarHBondContact N-O 2.96Å; L667-I671 PolarHBondContact O-N 3.25Å; I671-K673 PolarHBondContact O-N 3.09Å; I671-H675 HydrophobicContact CG2-CB 4.3Å; I671-A676 HydrophobicContact CG2-CB 3.92Å
672D89.7Confident86.4Confident96 Ų9656.4 Ų56.451%0.51329%0.289SS..EExtended strand (participates in β ladder)trans-56136.4175.7-70.6-51000111.3F666 D674 H675 A676F666-D672 WeakPolarHBondContact CD1-OD1 3.38Å; F666-D672 WeakPolarHBondContact CE1-OD1 3.42Å; D672-D674 VanDerWaalsContact C-N 3.27Å; D672-D674 PolarHBondContact O-N 3.29Å; D672-H675 HydrophobicContact CB-CB 3.91Å; D672-H675 WeakPolarHBondContact O-CA 3.5Å; D672-H675 WeakPolarHBondContact O-CB 3.38Å; D672-H675 PolarHBondContact O-N 3.28Å; D672-A676 PolarHBondContact O-N 2.87Å
673K89.5Confident86Confident28 Ų2865.7 Ų65.712%0.12232%0.322CS..Hα-helixtrans-50.4-48.5-179.6178.7-170.568.5-171.30112F599 I648 N662 L664 K665 I671 H675 A676 F677F599-K673 HydrophobicContact CE1-CB 4.41Å; F599-K673 HydrophobicContact CE1-CG 4.46Å; F599-K673 HydrophobicContact CZ-CG 4.36Å; I648-K673 HydrophobicContact CG2-CD 3.81Å; I648-K673 HydrophobicContact CG2-CG 3.81Å; N662-K673 PolarHBondContact ND2-NZ 3.2Å; L664-K673 HydrophobicContact CB-CD 4.34Å; K665-K673 WeakPolarHBondContact O-CB 3.23Å; K665-K673 PolarHBondContact O-N 3.14Å; I671-K673 PolarHBondContact O-N 3.09Å; K673-H675 VanDerWaalsContact C-N 3.31Å; K673-H675 PolarHBondContact O-N 3.44Å; K673-A676 PolarHBondContact O-N 3.42Å; K673-F677 HydrophobicContact CG-CD2 4.2Å; K673-F677 WeakPolarHBondContact O-CD2 3.34Å; K673-F677 PolarHBondContact O-N 3.38Å
674D87.8Confident84.7Confident93 Ų9369.6 Ų69.650%0.49735%0.347SS..Hα-helixtrans-73.3-25.2-177.6-60.5-38.1000112.3D672 G678 Y681D672-D674 VanDerWaalsContact C-N 3.27Å; D672-D674 PolarHBondContact O-N 3.29Å; D674-G678 WeakPolarHBondContact O-CA 3.22Å; D674-G678 PolarHBondContact O-N 3.23Å; D674-Y681 HydrophobicContact CB-CE2 4.34Å; D674-Y681 WeakPolarHBondContact OD1-CE2 3.33Å; D674-Y681 VanDerWaalsContact OD1-CZ 3.31Å; D674-Y681 PolarHBondContact OD1-OH 3.17Å
675H86.4Confident82.5Confident152 Ų15279.2 Ų79.270%0.70439%0.389SS*.Hα-helixtrans-69.9-40.9170.8-172.382.1000111.5I671 D672 K673I671-H675 HydrophobicContact CG2-CB 4.3Å; D672-H675 HydrophobicContact CB-CB 3.91Å; D672-H675 WeakPolarHBondContact O-CA 3.5Å; D672-H675 WeakPolarHBondContact O-CB 3.38Å; D672-H675 PolarHBondContact O-N 3.28Å; K673-H675 VanDerWaalsContact C-N 3.31Å; K673-H675 PolarHBondContact O-N 3.44Å
676A84.9Confident80Confident8 Ų882.7 Ų82.77%0.06641%0.407CS..Hα-helixtrans-73.8-46.2179.700000113.1L667 I671 D672 K673L667-A676 HydrophobicContact CB-CB 4.37Å; L667-A676 HydrophobicContact CD2-CB 3.78Å; I671-A676 HydrophobicContact CG2-CB 3.92Å; D672-A676 PolarHBondContact O-N 2.87Å; K673-A676 PolarHBondContact O-N 3.42Å
677F90.3Very high77.4Confident0 Ų084.6 Ų84.60%043%0.431CS..Hα-helixtrans-106.7-8.4-170.3-60-74.6000114.4L572 C577 F599 L601 I648 L667 K673 K679 Y680 Y681L572-F677 HydrophobicContact CD2-CD1 4.13Å; L572-F677 HydrophobicContact CD2-CE1 3.89Å; L572-F677 HydrophobicContact CG-CD1 4.38Å; L572-F677 HydrophobicContact CG-CE1 4.3Å; C577-F677 HydrophobicContact CB-CE1 4Å; C577-F677 HydrophobicContact CB-CZ 4.25Å; F599-F677 HydrophobicContact CE2-CE2 4.04Å; F599-F677 HydrophobicContact CE2-CZ 4.45Å; F599-F677 HydrophobicContact CZ-CD2 4.46Å; F599-F677 AromaticContact CZ-CE2 3.72Å; F599-F677 HydrophobicContact CZ-CE2 3.72Å; L601-F677 HydrophobicContact CD1-CE1 3.98Å; L601-F677 HydrophobicContact CD1-CZ 3.67Å; I648-F677 HydrophobicContact CD1-CD1 4.26Å; I648-F677 HydrophobicContact CD1-CD2 4.48Å; I648-F677 HydrophobicContact CD1-CE1 3.92Å; I648-F677 HydrophobicContact CD1-CE2 4.19Å; I648-F677 HydrophobicContact CD1-CZ 3.9Å; I648-F677 HydrophobicContact CG2-CD2 4.05Å; I648-F677 HydrophobicContact CG2-CE2 4.3Å; L667-F677 HydrophobicContact CB-CE2 4.36Å; L667-F677 HydrophobicContact CD1-CE2 4.19Å; L667-F677 HydrophobicContact CD1-CZ 4.07Å; L667-F677 HydrophobicContact CD2-CE2 3.97Å; L667-F677 HydrophobicContact CD2-CZ 3.85Å; L667-F677 HydrophobicContact CG-CE2 4.41Å; L667-F677 HydrophobicContact CG-CZ 4.5Å; K673-F677 HydrophobicContact CG-CD2 4.2Å; K673-F677 WeakPolarHBondContact O-CD2 3.34Å; K673-F677 PolarHBondContact O-N 3.38Å; F677-K679 VanDerWaalsContact C-N 3.25Å; F677-K679 PolarHBondContact O-N 3.32Å; F677-K679 VanDerWaalsContact O-N 3.14Å; F677-Y680 HydrophobicContact CD1-CD2 4.41Å; F677-Y680 PolarHBondContact O-N 3.46Å; F677-Y681 HydrophobicContact CB-CD1 4.4Å; F677-Y681 HydrophobicContact CB-CE1 3.58Å; F677-Y681 WeakPolarHBondContact O-CD1 3.32Å; F677-Y681 PolarHBondContact O-N 3.49Å
678G85.6Confident74.8Confident32 Ų3290 Ų9033%0.3347%0.467SS..G310 helixtrans-54.5-37.7-173.400000114.7D674 Y680 Y681D674-G678 WeakPolarHBondContact O-CA 3.22Å; D674-G678 PolarHBondContact O-N 3.23Å; G678-Y680 PolarHBondContact O-N 2.94Å; G678-Y681 PolarHBondContact O-N 3.24Å
679K85.2Confident72.4Confident132 Ų13295.8 Ų95.857%0.57450%0.496SS*.G310 helixtrans-63.4-18.4175.953.9176.3161179.50114.5D575 F677D575-K679 IonicContact OD2-NZ 2.92Å; D575-K679 PolarHBondContact OD2-NZ 2.87Å; F677-K679 VanDerWaalsContact C-N 3.25Å; F677-K679 PolarHBondContact O-N 3.32Å; F677-K679 VanDerWaalsContact O-N 3.14Å
680Y87.8Confident70.2Confident43 Ų4398 Ų9817%0.16951%0.511CS..G310 helixtrans-1110.2-177.8-43.7-61.2000113.8P571 L572 D575 P645 F677 G678 S682P571-Y680 HydrophobicContact CB-CD1 4.1Å; P571-Y680 HydrophobicContact CB-CE1 3.59Å; P571-Y680 HydrophobicContact CG-CD1 4.37Å; P571-Y680 HydrophobicContact CG-CE1 4.33Å; P571-Y680 PolarHBondContact O-OH 3.48Å; L572-Y680 HydrophobicContact CD1-CD2 4.01Å; L572-Y680 HydrophobicContact CD1-CE2 4.24Å; L572-Y680 HydrophobicContact CD1-CG 4.2Å; L572-Y680 HydrophobicContact CG-CD2 4.2Å; L572-Y680 HydrophobicContact CG-CE2 4.19Å; D575-Y680 WeakPolarHBondContact CB-OH 3.4Å; D575-Y680 PolarHBondContact OD2-OH 2.94Å; P645-Y680 HydrophobicContact CG-CG 4.43Å; F677-Y680 HydrophobicContact CD1-CD2 4.41Å; F677-Y680 PolarHBondContact O-N 3.46Å; G678-Y680 PolarHBondContact O-N 2.94Å; Y680-S682 PolarHBondContact O-N 2.91Å
681Y87.1Confident68.1Low30 Ų30102.1 Ų102.112%0.11853%0.529CS..SBendtrans-65.6135.4176.1-66-24.6000110.4P645 R649 D674 F677 G678 R683P645-Y681 HydrophobicContact CB-CD1 4Å; P645-Y681 HydrophobicContact CB-CE1 4.33Å; R649-Y681 HydrophobicContact CB-CD1 4.1Å; R649-Y681 HydrophobicContact CB-CE1 3.68Å; R649-Y681 HydrophobicContact CG-CD1 4.4Å; R649-Y681 HydrophobicContact CG-CD2 4.48Å; R649-Y681 HydrophobicContact CG-CE1 4.1Å; R649-Y681 HydrophobicContact CG-CE2 4.16Å; D674-Y681 HydrophobicContact CB-CE2 4.34Å; D674-Y681 WeakPolarHBondContact OD1-CE2 3.33Å; D674-Y681 VanDerWaalsContact OD1-CZ 3.31Å; D674-Y681 PolarHBondContact OD1-OH 3.17Å; F677-Y681 HydrophobicContact CB-CD1 4.4Å; F677-Y681 HydrophobicContact CB-CE1 3.58Å; F677-Y681 WeakPolarHBondContact O-CD1 3.32Å; F677-Y681 PolarHBondContact O-N 3.49Å; G678-Y681 PolarHBondContact O-N 3.24Å; Y681-R683 PolarHBondContact O-N 3.11Å; Y681-R683 VanDerWaalsContact O-N 3.14Å
682S79.9Confident66.1Low58 Ų58108.3 Ų108.341%0.40656%0.556SS.*PPolyproline II helixtrans-63119.6173.1-65.60000108.6D646 Y680D646-S682 PolarHBondContact OD1-N 3.34Å; D646-S682 WeakPolarHBondContact OD2-CB 3.39Å; D646-S682 PolarHBondContact OD2-OG 2.97Å; Y680-S682 PolarHBondContact O-N 2.91Å
683R70.2Confident63.9Low229 Ų229111.3 Ų111.386%0.86457%0.572SS**PPolyproline II helixtrans-70.6141.8169.8-64.6-175.8-175.2-1790.9108.3Y681 K685Y681-R683 PolarHBondContact O-N 3.11Å; Y681-R683 VanDerWaalsContact O-N 3.14Å; R683-K685 PolarHBondContact O-N 2.94Å
684P55.9Low61.7Low100 Ų100118.8 Ų118.865%0.64961%0.613SS**PPolyproline II helixtrans-55.7128169.5-14.326.3000108E686P684-E686 PolarHBondContact O-N 3.09Å
685K40.8Very low59.4Low205 Ų205117 Ų11789%0.89162%0.617SS**  trans-58.6115.2166.4-76.8-177.1177.21800106.8R683 A687R683-K685 PolarHBondContact O-N 2.94Å; K685-A687 PolarHBondContact O-N 2.91Å
686E34.1Very low57.4Low189 Ų189116.2 Ų116.288%0.88363%0.625SS**PPolyproline II helixtrans-53.5131.1165.2-76.4175.3166.300107.5P684P684-E686 PolarHBondContact O-N 3.09Å
687A36.2Very low55.6Low84 Ų84126 Ų12669%0.69467%0.666SS**PPolyproline II helixtrans-58.8142173.400000107.9K685 E689K685-A687 PolarHBondContact O-N 2.91Å; A687-E689 PolarHBondContact O-N 3.34Å; A687-E689 VanDerWaalsContact O-N 3.14Å
688P36.5Very low53.3Low122 Ų122129.3 Ų129.379%0.79270%0.699SS**PPolyproline II helixtrans-52.8127166.8-1324.7000107.2P690P688-P690 VanDerWaalsContact O-N 3.15Å
689E35.2Very low51.4Low180 Ų180134.3 Ų134.384%0.84172%0.724SS**PPolyproline II helixtrans-49.6125.5173.3-74.2-170.8155.500108.3A687 M691A687-E689 PolarHBondContact O-N 3.34Å; A687-E689 VanDerWaalsContact O-N 3.14Å; E689-M691 PolarHBondContact O-N 3.48Å
690P38.6Very low49.5Very low120 Ų120131.3 Ų131.378%0.77973%0.731SS**  trans-65.1113.3175.924.1-28.6000107.5P688 E692P688-P690 VanDerWaalsContact O-N 3.15Å; P690-E692 PolarHBondContact O-N 3.12Å; P690-E692 VanDerWaalsContact O-N 3.12Å
691M40.8Very low47.7Very low177 Ų177140.4 Ų140.487%0.87277%0.766SS**  trans-53.7119.6159.5-87.5-176.5142.700107.2E689 L693E689-M691 PolarHBondContact O-N 3.48Å; M691-L693 PolarHBondContact O-N 2.92Å
692E45.2Very low45.6Very low196 Ų196146 Ų14692%0.91680%0.797SS**  trans-57.599.1175.5-69.5-172.9159.600109.9P690P690-E692 PolarHBondContact O-N 3.12Å; P690-E692 VanDerWaalsContact O-N 3.12Å
693L43.3Very low43.9Very low160 Ų160150.5 Ų150.584%0.83881%0.809SS**  trans-133.5111.6160-74.2172.7000107.5M691 G695M691-L693 PolarHBondContact O-N 2.92Å; L693-G695 PolarHBondContact O-N 3.24Å; L693-G695 VanDerWaalsContact O-N 3.15Å
694D43.9Very low42.9Very low185 Ų185145.6 Ų145.699%0.98981%0.805SS**  trans-50.1112.4175-87.8-39.6000111.5
695G39.9Very low42.9Very low56 Ų56146.8 Ų146.858%0.57780%0.801SS**  trans-160.6149.9173.700000111L693 K697L693-G695 PolarHBondContact O-N 3.24Å; L693-G695 VanDerWaalsContact O-N 3.15Å; G695-K697 PolarHBondContact O-N 3.37Å
696P44.3Very low43.9Very low134 Ų134143.3 Ų143.387%0.8779%0.792SS**  trans-66.8135-164.127.3-32.4000111.5G698P696-G698 PolarHBondContact O-N 3.37Å
697K47.1Very low45.3Very low215 Ų215138.4 Ų138.494%0.93577%0.771SS**  trans-51.592.7-179.4-68.3179.9177.4179.70111.8G695G695-K697 PolarHBondContact O-N 3.37Å
698G41.1Very low46.7Very low68 Ų68136.1 Ų136.170%0.70175%0.75SS**  trans-71.8128.8165.800000109.7P696 G700P696-G698 PolarHBondContact O-N 3.37Å; G698-G700 PolarHBondContact O-N 3.26Å
699T45.9Very low47.9Very low137 Ų137134.3 Ų134.384%0.8474%0.736SS**  trans-47.5108.9175.548.70000111.5
700G46Very low49.3Very low70 Ų70127.7 Ų127.772%0.72271%0.71SS**PPolyproline II helixtrans-64.7135.4171.500000110.5G698 I702G698-G700 PolarHBondContact O-N 3.26Å; G700-I702 PolarHBondContact O-N 3.27Å
701Y50.1Low49.8Very low233 Ų233130.8 Ų130.891%0.91471%0.714SS**PPolyproline II helixtrans-55.8135.9172.8-66.5-86.5000110K703Y701-K703 PolarHBondContact O-N 2.76Å
702I42.6Very low50.3Low149 Ų149125.7 Ų125.776%0.76469%0.693SS**PPolyproline II helixtrans-58.3125.5176.7-63.5172.9000108.3G700 T704G700-I702 PolarHBondContact O-N 3.27Å; I702-T704 PolarHBondContact O-N 2.72Å; I702-T704 VanDerWaalsContact O-N 3.11Å
703K45.1Very low49.7Very low152 Ų152123 Ų12366%0.66168%0.68SS**  trans-67.2109.2174.2-170.6-178.5175.4-165.10108.5Y701 E705Y701-K703 PolarHBondContact O-N 2.76Å; K703-E705 VanDerWaalsContact CE-OE1 3.29Å; K703-E705 WeakPolarHBondContact CE-OE1 3.4Å; K703-E705 IonicContact NZ-OE1 2.71Å; K703-E705 PolarHBondContact NZ-OE1 3.5Å
704T47.5Very low49.2Very low125 Ų125119.8 Ų119.877%0.76767%0.669SS**  trans-99.9129.1177.754.10000110.2I702I702-T704 PolarHBondContact O-N 2.72Å; I702-T704 VanDerWaalsContact O-N 3.11Å
705E56.8Low48.9Very low125 Ų125115.8 Ų115.858%0.58466%0.655SS**  trans-117.7134.3172.1-70.4-179.1-174.800109.2K703K703-E705 VanDerWaalsContact CE-OE1 3.29Å; K703-E705 WeakPolarHBondContact CE-OE1 3.4Å; K703-E705 IonicContact NZ-OE1 2.71Å; K703-E705 PolarHBondContact NZ-OE1 3.5Å
706L60.9Low49.1Very low132 Ų132121.3 Ų121.369%0.69166%0.658SS**  trans-80.7126.6177.6-72.6167.2000109.5V642V642-L706 HydrophobicContact CG2-CB 4.01Å; V642-L706 HydrophobicContact CG2-CD1 4.43Å
707I64.6Low48.7Very low86 Ų86120.3 Ų120.344%0.44165%0.645SS.*  trans-121.9129.1179.3-56175.5000108.4N650 V709N650-I707 VanDerWaalsContact O-CG2 3.28Å; N650-I707 WeakPolarHBondContact O-CG2 3.44Å; I707-V709 HydrophobicContact CG2-CG2 4.05Å
708S65.1Low48.2Very low37 Ų37118.5 Ų118.526%0.25964%0.64SS.*  trans-82.4120.4174.3-59.90000109.8Y651 K652Y651-S708 WeakPolarHBondContact CD2-O 3.32Å; K652-S708 PolarHBondContact N-O 2.96Å
709V62.3Low47.8Very low83 Ų83120.2 Ų120.250%0.50364%0.637SS.*EExtended strand (participates in β ladder)trans-127129.1179.6-174.70000109.3K652 I707K652-V709 HydrophobicContact CB-CG2 4.45Å; K652-V709 WeakPolarHBondContact O-CA 3.36Å; I707-V709 HydrophobicContact CG2-CG2 4.05Å
710S65Low47.5Very low41 Ų41119.2 Ų119.229%0.28763%0.631SS.*EExtended strand (participates in β ladder)trans-100127.9173.7-620000110.5Y651 K652Y651-S710 WeakPolarHBondContact OH-CB 3.41Å; Y651-S710 PolarHBondContact OH-OG 3.38Å; K652-S710 PolarHBondContact O-N 3.14Å
711E49.5Very low47.2Very low185 Ų185121.9 Ų121.986%0.86463%0.629SS**PPolyproline II helixtrans-80.8135.1172.2-68.4-178175.600110.7
712V50.7Low46.7Very low71 Ų71117.7 Ų117.743%0.4362%0.622SS.*PPolyproline II helixtrans-78.6128.4173.8-175.10000108.6V653 M654 R716V653-V712 HydrophobicContact CG1-CG2 4.19Å; M654-V712 HydrophobicContact CB-CG2 4.45Å; M654-V712 WeakPolarHBondContact O-CG2 3.33Å; V712-R716 HydrophobicContact CG1-CB 4.32Å
713H32.4Very low46.5Very low140 Ų140117.6 Ų117.665%0.64862%0.623SS**PPolyproline II helixtrans-56.6131.1-177.5-147.8-47.7000111.1S715 R716H713-S715 PolarHBondContact O-N 3.44Å; H713-R716 PolarHBondContact O-N 3.48Å
714P32.7Very low46.4Very low92 Ų92118 Ų11860%0.59763%0.631SS**G310 helixtrans-60.7-11-172.915.6-30.5000116R716 L717P714-R716 PolarHBondContact O-N 3.34Å; P714-L717 HydrophobicContact CB-CD1 4.22Å; P714-L717 PolarHBondContact O-N 3.32Å
715S37.7Very low46.4Very low100 Ų100117.8 Ų117.870%0.69963%0.632SS**G310 helixtrans-72.7-1.7172.552.70000114.3H713H713-S715 PolarHBondContact O-N 3.44Å
716R43.8Very low45.9Very low172 Ų172117.4 Ų117.465%0.64963%0.631SS**G310 helixtrans-114.52.1175.1-65.7-172.5-179.9-172.60.9114V712 H713 P714V712-R716 HydrophobicContact CG1-CB 4.32Å; H713-R716 PolarHBondContact O-N 3.48Å; P714-R716 PolarHBondContact O-N 3.34Å
717L36.6Very low45.8Very low114 Ų114113.2 Ų113.260%0.59761%0.613SS**SBendtrans-68.8130.2162.5-68.7165.6000106.7P714 T719P714-L717 HydrophobicContact CB-CD1 4.22Å; P714-L717 PolarHBondContact O-N 3.32Å; L717-T719 PolarHBondContact O-N 3.17Å; L717-T719 VanDerWaalsContact O-N 3.11Å
718Q35.8Very low45.4Very low177 Ų177114.1 Ų114.183%0.82763%0.625SS**PPolyproline II helixtrans-48.2122.7175.6-70.9175.2-8.500108.7T720Q718-T720 PolarHBondContact O-N 2.87Å
719T32.3Very low45.1Very low104 Ų104120.1 Ų120.164%0.63865%0.648SS**PPolyproline II helixtrans-51.3139.5165.924.60000108.4L717 D721L717-T719 PolarHBondContact O-N 3.17Å; L717-T719 VanDerWaalsContact O-N 3.11Å; T719-D721 PolarHBondContact O-N 2.99Å
720T40.5Very low44.9Very low115 Ų115121.1 Ų121.171%0.70665%0.648SS**G310 helixtrans-61.314.7178.342.60000114.6Q718 N722Q718-T720 PolarHBondContact O-N 2.87Å; T720-N722 VanDerWaalsContact C-N 3.27Å; T720-N722 PolarHBondContact O-N 2.85Å
721D39.3Very low44.7Very low127 Ų127123.8 Ų123.868%0.67965%0.654SS**G310 helixtrans-81.50.7-172.5-65.6-30.9000113.8T719T719-D721 PolarHBondContact O-N 2.99Å
722N39.5Very low45.1Very low145 Ų145119.6 Ų119.678%0.77564%0.638SS**G310 helixtrans-106.514.1176.3-78.3-21.5000114.4T720 L724T720-N722 VanDerWaalsContact C-N 3.27Å; T720-N722 PolarHBondContact O-N 2.85Å; N722-L724 PolarHBondContact O-N 2.66Å
723L37.8Very low45.7Very low147 Ų147122.2 Ų122.277%0.7765%0.645SS**  trans-80.7100.5167.7-71.5168.4000109
724L43.2Very low46.8Very low159 Ų159118.3 Ų118.383%0.83263%0.631SS**PPolyproline II helixtrans-59.2137.3164-71.9164000108.7N722 M726N722-L724 PolarHBondContact O-N 2.66Å; L724-M726 PolarHBondContact O-N 2.84Å
725P48.2Very low47.9Very low121 Ų121116 Ų11679%0.78662%0.617SS**PPolyproline II helixtrans-63.6131.4175.625-30.9000109.8
726M46.1Very low49Very low118 Ų118120.9 Ų120.958%0.58162%0.62SS**PPolyproline II helixtrans-52.5145.1175.1-77.2-172.1-72.500111.1L724L724-M726 PolarHBondContact O-N 2.84Å
727S57.5Low49.8Very low44 Ų44119.1 Ų119.131%0.30862%0.622SS.*PPolyproline II helixtrans-67.4151.7175.765.30000110.9E729 E730 F731S727-E729 PolarHBondContact O-N 3.06Å; S727-E729 VanDerWaalsContact O-N 3.1Å; S727-E730 PolarHBondContact N-OE2 3.18Å; S727-E730 PolarHBondContact O-N 3.11Å; S727-E730 VanDerWaalsContact O-N 3.09Å; S727-E730 VanDerWaalsContact OG-CG 3.3Å; S727-E730 WeakPolarHBondContact OG-CG 3.49Å; S727-E730 PolarHBondContact OG-OE2 3.45Å; S727-F731 PolarHBondContact O-N 3.43Å; S727-F731 VanDerWaalsContact O-N 3.09Å
728P56.4Low50.7Low105 Ų105115.7 Ų115.768%0.68261%0.606SS**Hα-helixtrans-56.7-27.8-179.7-2634.6000114D732P728-D732 PolarHBondContact O-N 3.06Å
729E60.1Low51.4Low162 Ų162109.6 Ų109.676%0.75759%0.591SS**Hα-helixtrans-73.4-38.3179.4-65.9171.7173.800111.6S727 E733S727-E729 PolarHBondContact O-N 3.06Å; S727-E729 VanDerWaalsContact O-N 3.1Å; E729-E733 PolarHBondContact O-N 3.04Å
730E57.8Low52.3Low104 Ų104110 Ų11049%0.48660%0.598SS.*Hα-helixtrans-72.3-34.2175-68.5164.5145.800111.7S727 E733 V734S727-E730 PolarHBondContact N-OE2 3.18Å; S727-E730 PolarHBondContact O-N 3.11Å; S727-E730 VanDerWaalsContact O-N 3.09Å; S727-E730 VanDerWaalsContact OG-CG 3.3Å; S727-E730 WeakPolarHBondContact OG-CG 3.49Å; S727-E730 PolarHBondContact OG-OE2 3.45Å; E730-E733 PolarHBondContact O-N 3.17Å; E730-V734 VanDerWaalsContact O-CG2 3.32Å; E730-V734 WeakPolarHBondContact O-CG2 3.43Å; E730-V734 PolarHBondContact O-N 3.32Å; E730-V734 VanDerWaalsContact O-N 3.09Å
731F61.7Low53Low97 Ų97110.4 Ų110.443%0.42560%0.6SS.*Hα-helixtrans-65.8-42.5175.9-174.3-95000112.1S727 E733 V734 S735 F743S727-F731 PolarHBondContact O-N 3.43Å; S727-F731 VanDerWaalsContact O-N 3.09Å; F731-E733 VanDerWaalsContact C-N 3.29Å; F731-E733 PolarHBondContact O-N 3.28Å; F731-V734 PolarHBondContact O-N 2.99Å; F731-S735 VanDerWaalsContact O-CB 3.3Å; F731-S735 WeakPolarHBondContact O-CB 3.31Å; F731-S735 PolarHBondContact O-N 3.28Å; F731-S735 PolarHBondContact O-OG 3.27Å; F731-F743 HydrophobicContact CE2-CE1 4.36Å; F731-F743 HydrophobicContact CE2-CZ 4.44Å; F731-F743 HydrophobicContact CZ-CE1 4.4Å
732D57.1Low53.5Low97 Ų97110.7 Ų110.752%0.51960%0.597SS.*Hα-helixtrans-67.4-30178.3-982.9000112.6P728 R736P728-D732 PolarHBondContact O-N 3.06Å; D732-R736 WeakPolarHBondContact O-CG 3.3Å; D732-R736 PolarHBondContact O-N 2.85Å
733E62.1Low54Low127 Ų127106.9 Ų106.959%0.59357%0.574SS**Hα-helixtrans-76.5-40.2177.8-162.4145.9-155.800111.7E729 E730 F731 R736 I737E729-E733 PolarHBondContact O-N 3.04Å; E730-E733 PolarHBondContact O-N 3.17Å; F731-E733 VanDerWaalsContact C-N 3.29Å; F731-E733 PolarHBondContact O-N 3.28Å; E733-R736 PolarHBondContact O-N 3.18Å; E733-I737 HydrophobicContact CG-CD1 4.48Å; E733-I737 WeakPolarHBondContact O-CD1 3.46Å; E733-I737 VanDerWaalsContact O-CG1 3.31Å; E733-I737 WeakPolarHBondContact O-CG1 3.3Å; E733-I737 PolarHBondContact O-N 2.93Å
734V56.3Low54.4Low57 Ų57105.6 Ų105.635%0.34557%0.568SS.*Hα-helixtrans-65.7-38.3172.1173.90000111.6E730 F731 R736 I737 V738 F743E730-V734 VanDerWaalsContact O-CG2 3.32Å; E730-V734 WeakPolarHBondContact O-CG2 3.43Å; E730-V734 PolarHBondContact O-N 3.32Å; E730-V734 VanDerWaalsContact O-N 3.09Å; F731-V734 PolarHBondContact O-N 2.99Å; V734-R736 PolarHBondContact O-N 2.63Å; V734-I737 PolarHBondContact O-N 3.43Å; V734-I737 VanDerWaalsContact O-N 3.17Å; V734-V738 HydrophobicContact CG1-CG2 4.39Å; V734-V738 PolarHBondContact O-N 3.33Å; V734-F743 HydrophobicContact CG1-CE2 4.42Å
735S56.5Low54.6Low44 Ų44102.3 Ų102.331%0.30856%0.558SS.*Hα-helixtrans-66.6-22.5176.9-56.70000113.6F731F731-S735 VanDerWaalsContact O-CB 3.3Å; F731-S735 WeakPolarHBondContact O-CB 3.31Å; F731-S735 PolarHBondContact O-N 3.28Å; F731-S735 PolarHBondContact O-OG 3.27Å
736R59.6Low54.5Low202 Ų202104.1 Ų104.176%0.76256%0.558SS**Hα-helixtrans-83.7-28.5172.6-77.3-176.1-141.3159.48.8113.3D732 E733 V734D732-R736 WeakPolarHBondContact O-CG 3.3Å; D732-R736 PolarHBondContact O-N 2.85Å; E733-R736 PolarHBondContact O-N 3.18Å; V734-R736 PolarHBondContact O-N 2.63Å
737I61.3Low54.4Low135 Ų135105.4 Ų105.469%0.69257%0.565SS**Hα-helixtrans-81.7-35-177.7-66164.6000110.8E733 V734E733-I737 HydrophobicContact CG-CD1 4.48Å; E733-I737 WeakPolarHBondContact O-CD1 3.46Å; E733-I737 VanDerWaalsContact O-CG1 3.31Å; E733-I737 WeakPolarHBondContact O-CG1 3.3Å; E733-I737 PolarHBondContact O-N 2.93Å; V734-I737 PolarHBondContact O-N 3.43Å; V734-I737 VanDerWaalsContact O-N 3.17Å
738V54.7Low53.6Low42 Ų42110.3 Ų110.326%0.25559%0.587SS.*SBendtrans-95.9108.9178.6-175.50000108.8V734 E742 F743V734-V738 HydrophobicContact CG1-CG2 4.39Å; V734-V738 PolarHBondContact O-N 3.33Å; V738-E742 HydrophobicContact CG1-CB 3.76Å; V738-F743 HydrophobicContact CB-CD2 4.01Å; V738-F743 HydrophobicContact CB-CE2 4.06Å; V738-F743 HydrophobicContact CG1-CD2 3.85Å; V738-F743 HydrophobicContact CG1-CE2 4.3Å
739G50.6Low52.9Low50 Ų50109.3 Ų109.352%0.51559%0.588SS.*  trans-55.2148177.400000112.2V741 E742G739-V741 PolarHBondContact O-N 3.43Å; G739-E742 PolarHBondContact O-N 3.46Å; G739-E742 VanDerWaalsContact O-N 3.14Å
740S53.1Low51.9Low111 Ų111111.1 Ų111.178%0.77661%0.609SS**THydrogen-bonded Turntrans-56.7-1.9-169.855.10000117.3
741V53.5Low51.6Low124 Ų124111.5 Ų111.575%0.75262%0.616SS**THydrogen-bonded Turntrans-96.9-22-178.4-178.50000112G739G739-V741 PolarHBondContact O-N 3.43Å
742E50.9Low51Low134 Ų134112.2 Ų112.263%0.62663%0.626SS**THydrogen-bonded Turntrans-91.3-21-178-73.7-176.6164.100113.8V738 G739 S745V738-E742 HydrophobicContact CG1-CB 3.76Å; G739-E742 PolarHBondContact O-N 3.46Å; G739-E742 VanDerWaalsContact O-N 3.14Å; E742-S745 PolarHBondContact O-N 3.09Å
743F48.6Very low50.7Low64 Ų64113.1 Ų113.128%0.28163%0.632SS.*Hα-helixtrans-70.5-39.1-179.8-116-85.2000113.2F731 V734 V738 S745 M746 M747F731-F743 HydrophobicContact CE2-CE1 4.36Å; F731-F743 HydrophobicContact CE2-CZ 4.44Å; F731-F743 HydrophobicContact CZ-CE1 4.4Å; V734-F743 HydrophobicContact CG1-CE2 4.42Å; V738-F743 HydrophobicContact CB-CD2 4.01Å; V738-F743 HydrophobicContact CB-CE2 4.06Å; V738-F743 HydrophobicContact CG1-CD2 3.85Å; V738-F743 HydrophobicContact CG1-CE2 4.3Å; F743-S745 VanDerWaalsContact C-N 3.27Å; F743-S745 PolarHBondContact O-N 3.18Å; F743-M746 PolarHBondContact O-N 3.09Å; F743-M747 PolarHBondContact O-N 3.09Å
744D48.3Very low50Low120 Ų120112.2 Ų112.264%0.64263%0.634SS**Hα-helixtrans-70.4-22.7178.7-91.5-10.8000113.1N748D744-N748 PolarHBondContact O-ND2 3.1Å
745S47.3Very low49.6Very low91 Ų91115.7 Ų115.764%0.63665%0.652SS**Hα-helixtrans-78.9-24.1175.4-168.90000112.7E742 F743E742-S745 PolarHBondContact O-N 3.09Å; F743-S745 VanDerWaalsContact C-N 3.27Å; F743-S745 PolarHBondContact O-N 3.18Å
746M45.7Very low49.2Very low158 Ų158120.5 Ų120.578%0.77868%0.675SS**Hα-helixtrans-85.9-29.3179.1-79.8-170.9166.500113.2F743F743-M746 PolarHBondContact O-N 3.09Å
747M43.7Very low48.4Very low146 Ų146114.6 Ų114.672%0.71967%0.669SS**Hα-helixtrans-75.4-21.5177.5-81.5-117.4-146.900114.3F743 A749F743-M747 PolarHBondContact O-N 3.09Å; M747-A749 VanDerWaalsContact C-N 3.32Å; M747-A749 PolarHBondContact O-N 2.72Å
748N40.8Very low47.4Very low146 Ų146113.1 Ų113.178%0.78167%0.667SS**THydrogen-bonded Turntrans-87.15.4-178.3-78.5-49.7000114.4D744D744-N748 PolarHBondContact O-ND2 3.1Å
749A41.8Very low46.8Very low84 Ų84119 Ų11969%0.69470%0.701SS**THydrogen-bonded Turntrans-120.231.7-176.700000113.9M747M747-A749 VanDerWaalsContact C-N 3.32Å; M747-A749 PolarHBondContact O-N 2.72Å
750V37.8Very low46.5Very low200 Ų200125.3 Ų125.3100%1.21272%0.718SS**  trans-116.80168.4-179.40000110.3

Retrieved 750 of 750 residues in 5773.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).