A0A087YR07_POEFO Loading...

Claudin 23.1

AlphaFold DB , UniProt , Accession A0A087YR07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 276 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R41.3Very low49.6Very low264 Ų264134.5 Ų134.5100%0.99662%0.622SS**  085.60-159.5-178.3-150.4167.85.2105.7T3R1-T3 PolarHBondContact O-N 3.36Å
2N40.4Very low50.9Low160 Ų160127.8 Ų127.886%0.85660%0.598SS**  trans-82.898.8-177.8-67.5-5.8000106.5E4N2-E4 VanDerWaalsContact C-N 3.28Å; N2-E4 PolarHBondContact O-N 3.42Å
3T46.7Very low52.6Low85 Ų85122.4 Ų122.452%0.52158%0.581SS.*  trans-70.591.7170.648.10000107.2R1 W5R1-T3 PolarHBondContact O-N 3.36Å; T3-W5 PolarHBondContact O-NE1 3.02Å; T3-W5 PolarHBondContact OG1-NE1 3.2Å
4E53.9Low54.5Low147 Ų147117.4 Ų117.469%0.68758%0.578SS**  trans-68.2132163.3-82.1179.1141.600107.8N2 I201N2-E4 VanDerWaalsContact C-N 3.28Å; N2-E4 PolarHBondContact O-N 3.42Å; E4-I201 HydrophobicContact CB-CD1 3.35Å; E4-I201 VanDerWaalsContact O-CD1 3.25Å; E4-I201 WeakPolarHBondContact O-CD1 3.38Å; E4-I201 WeakPolarHBondContact O-CG1 3.3Å
5W53.4Low56.4Low143 Ų143115.7 Ų115.754%0.54257%0.571SS.*EExtended strand (participates in β ladder)trans-107.2129.6-178.6-64.292.7000108.3T3 E198 P200T3-W5 PolarHBondContact O-NE1 3.02Å; T3-W5 PolarHBondContact OG1-NE1 3.2Å; W5-E198 HydrophobicContact CE3-CB 4.01Å; W5-P200 HydrophobicContact CH2-CG 4.25Å; W5-P200 HydrophobicContact CZ3-CB 4.43Å; W5-P200 HydrophobicContact CZ3-CG 3.83Å
6V46.4Very low58Low65 Ų65109.3 Ų109.339%0.39454%0.54SS..EExtended strand (participates in β ladder)trans-100.5120.9176.1173.30000108.7T8 I201V6-T8 HydrophobicContact CG1-CG2 4.41Å; V6-T8 PolarHBondContact O-N 3.05Å; V6-T8 VanDerWaalsContact O-N 3.16Å; V6-I201 HydrophobicContact CB-CG1 4.48Å; V6-I201 HydrophobicContact CG2-CD1 3.97Å; V6-I201 HydrophobicContact CG2-CG1 3.57Å
7R50.8Low59.7Low90 Ų90108.2 Ų108.234%0.3454%0.535SS..EExtended strand (participates in β ladder)trans-75101177.4-174.9179.9-68.8-159.57.3109.4C113R7-C113 PolarHBondContact NH1-O 3.21Å
8T49.9Very low61.3Low65 Ų65108.4 Ų108.440%0.39953%0.533SS..  trans-85.5-7.7-179650000114.4V6 G197 V204V6-T8 HydrophobicContact CG1-CG2 4.41Å; V6-T8 PolarHBondContact O-N 3.05Å; V6-T8 VanDerWaalsContact O-N 3.16Å; T8-G197 WeakPolarHBondContact CB-O 3.29Å; T8-G197 WeakPolarHBondContact CG2-O 3.44Å; T8-G197 PolarHBondContact N-O 3.1Å; T8-G197 WeakPolarHBondContact OG1-CA 3.46Å; T8-G197 PolarHBondContact OG1-O 3.31Å; T8-V204 HydrophobicContact CG2-CG2 4.29Å
9T51Low62.8Low79 Ų79102.7 Ų102.749%0.48551%0.505SS..  trans-146.5120.1177-240000112.3R11T9-R11 VanDerWaalsContact C-N 3.35Å; T9-R11 HydrophobicContact CG2-CB 4.3Å
10M53.3Low64.1Low159 Ų159100.5 Ų100.578%0.78349%0.494SS*.  trans-94.424.5175.2-70.3-162.4-84.300113
11R58.8Low65.5Low222 Ų222100.1 Ų100.184%0.83850%0.497SS*.PPolyproline II helixtrans-92.8120.9-179.9-124.3177.1-168.4164.73.5110T9T9-R11 VanDerWaalsContact C-N 3.35Å; T9-R11 HydrophobicContact CG2-CB 4.3Å
12T64.8Low68Low54 Ų5488.1 Ų88.133%0.33145%0.453SS..PPolyproline II helixtrans-57.3125.1169.1-38.40000108.1G14 L16 I17 V111T12-G14 PolarHBondContact O-N 3.32Å; T12-L16 HydrophobicContact CG2-CB 4.13Å; T12-L16 HydrophobicContact CG2-CD1 4.26Å; T12-I17 HydrophobicContact CG2-CG1 4.29Å; T12-V111 HydrophobicContact CG2-CG1 4.26Å
13P72.9Confident70.6Confident58 Ų5880.6 Ų80.638%0.37741%0.413SS..PPolyproline II helixtrans-58.613317822.4-32.2000109.1I15 L16P13-I15 PolarHBondContact O-N 2.91Å; P13-L16 HydrophobicContact CG-CB 4.4Å; P13-L16 HydrophobicContact CG-CD1 3.62Å; P13-L16 HydrophobicContact CG-CG 3.88Å; P13-L16 PolarHBondContact O-N 3.08Å
14G79.8Confident72.9Confident53 Ų5379 Ų7955%0.54640%0.404SS..Hα-helixtrans-54.9-26.3-174.800000113.7T12 L16 I17 F18T12-G14 PolarHBondContact O-N 3.32Å; G14-L16 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 3.03Å; G14-I17 WeakPolarHBondContact O-CB 3.25Å; G14-I17 PolarHBondContact O-N 2.97Å; G14-F18 PolarHBondContact O-N 2.96Å
15I82.5Confident74.9Confident91 Ų9174.5 Ų74.547%0.46739%0.388SS..Hα-helixtrans-62.1-38.3175.5-126.9170.4000112.4P13 F18 G19 V182P13-I15 PolarHBondContact O-N 2.91Å; I15-F18 PolarHBondContact O-N 2.95Å; I15-G19 PolarHBondContact O-N 2.9Å; I15-G19 VanDerWaalsContact O-N 3.11Å; I15-V182 HydrophobicContact CB-CG1 4.12Å; I15-V182 HydrophobicContact CG1-CG1 3.68Å; I15-V182 HydrophobicContact CG2-CG1 4.12Å; I15-V182 WeakPolarHBondContact O-CG1 3.45Å
16L82.2Confident76.9Confident14 Ų1467.7 Ų67.77%0.07336%0.362CS..Hα-helixtrans-69.9-36.4176.2-72.3177.4000111.4T12 P13 G14 F18 G19 M20T12-L16 HydrophobicContact CG2-CB 4.13Å; T12-L16 HydrophobicContact CG2-CD1 4.26Å; P13-L16 HydrophobicContact CG-CB 4.4Å; P13-L16 HydrophobicContact CG-CD1 3.62Å; P13-L16 HydrophobicContact CG-CG 3.88Å; P13-L16 PolarHBondContact O-N 3.08Å; G14-L16 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 3.03Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-G19 PolarHBondContact O-N 2.88Å; L16-M20 WeakPolarHBondContact O-CB 3.39Å; L16-M20 WeakPolarHBondContact O-CG 3.39Å; L16-M20 PolarHBondContact O-N 2.87Å
17I86Confident79.3Confident91 Ų9167.8 Ų67.847%0.46736%0.355SS..Hα-helixtrans-64.1-44.5176.2-57.6173.3000109.6T12 G14 G19 M20 V21T12-I17 HydrophobicContact CG2-CG1 4.29Å; G14-I17 WeakPolarHBondContact O-CB 3.25Å; G14-I17 PolarHBondContact O-N 2.97Å; I17-G19 PolarHBondContact O-N 2.85Å; I17-M20 PolarHBondContact O-N 3.46Å; I17-V21 WeakPolarHBondContact O-CG2 3.4Å; I17-V21 PolarHBondContact O-N 2.82Å; I17-V21 VanDerWaalsContact O-N 3.11Å
18F90.1Very high81.5Confident112 Ų11267.9 Ų67.949%0.49136%0.362SS..Hα-helixtrans-58.3-48.1177.6-176.6-117.5000112.1G14 I15 L16 M20 V21 M22G14-F18 PolarHBondContact O-N 2.96Å; I15-F18 PolarHBondContact O-N 2.95Å; L16-F18 VanDerWaalsContact C-N 3.34Å; F18-M20 PolarHBondContact O-N 3.36Å; F18-V21 PolarHBondContact O-N 3.01Å; F18-M22 HydrophobicContact CD1-CE 3.26Å; F18-M22 HydrophobicContact CD1-SD 4.14Å; F18-M22 HydrophobicContact CD2-CE 4.45Å; F18-M22 HydrophobicContact CD2-CG 4.47Å; F18-M22 HydrophobicContact CD2-SD 4.47Å; F18-M22 HydrophobicContact CE1-CE 2.97Å; F18-M22 HydrophobicContact CE1-CG 4.49Å; F18-M22 HydrophobicContact CE1-SD 3.44Å; F18-M22 WeakPolarHBondContact CE1-SD 3.2Å; F18-M22 HydrophobicContact CE2-CE 4.21Å; F18-M22 HydrophobicContact CE2-CG 4.15Å; F18-M22 HydrophobicContact CE2-SD 3.81Å; F18-M22 HydrophobicContact CG-CE 4.02Å; F18-M22 HydrophobicContact CZ-CE 3.5Å; F18-M22 HydrophobicContact CZ-CG 4.17Å; F18-M22 HydrophobicContact CZ-SD 3.23Å; F18-M22 WeakPolarHBondContact CZ-SD 3.41Å; F18-M22 PolarHBondContact O-N 3.14Å
19G90Very high83.7Confident0 Ų066.4 Ų66.40%035%0.351CS..Hα-helixtrans-62.5-40176.100000113.6I15 L16 I17 V21 M22 A23I15-G19 PolarHBondContact O-N 2.9Å; I15-G19 VanDerWaalsContact O-N 3.11Å; L16-G19 PolarHBondContact O-N 2.88Å; I17-G19 PolarHBondContact O-N 2.85Å; G19-V21 PolarHBondContact O-N 3.24Å; G19-M22 PolarHBondContact O-N 3.35Å; G19-A23 WeakPolarHBondContact O-CB 3.49Å; G19-A23 PolarHBondContact O-N 2.87Å
20M88.1Confident85.9Confident58 Ų5862.6 Ų62.629%0.28633%0.328SS..Hα-helixtrans-64.8-24.7177.4-74.6-69.4-71.100113.9L16 I17 F18 P24 A107 V111 M183L16-M20 WeakPolarHBondContact O-CB 3.39Å; L16-M20 WeakPolarHBondContact O-CG 3.39Å; L16-M20 PolarHBondContact O-N 2.87Å; I17-M20 PolarHBondContact O-N 3.46Å; F18-M20 PolarHBondContact O-N 3.36Å; M20-P24 WeakPolarHBondContact O-CD 3.49Å; M20-P24 VanDerWaalsContact O-CG 3.28Å; M20-P24 WeakPolarHBondContact O-CG 3.5Å; M20-A107 HydrophobicContact SD-CB 3.91Å; M20-V111 HydrophobicContact CE-CB 4.4Å; M20-V111 HydrophobicContact CE-CG2 3.64Å; M20-V111 HydrophobicContact CG-CG2 3.92Å; M20-V111 HydrophobicContact SD-CG2 3.47Å; M20-V111 WeakPolarHBondContact SD-CG2 3.42Å; M20-M183 HydrophobicContact CG-CE 4.37Å; M20-M183 HydrophobicContact SD-CE 3.68Å; M20-M183 HydrophobicContact SD-SD 4.41Å
21V93.1Very high87.9Confident93 Ų9358 Ų5856%0.56431%0.306SS*.Hα-helixtrans-88.5-39.6175.6175.60000111.2I17 F18 G19 P24 C25I17-V21 WeakPolarHBondContact O-CG2 3.4Å; I17-V21 PolarHBondContact O-N 2.82Å; I17-V21 VanDerWaalsContact O-N 3.11Å; F18-V21 PolarHBondContact O-N 3.01Å; G19-V21 PolarHBondContact O-N 3.24Å; V21-P24 WeakPolarHBondContact O-CD 3.27Å; V21-P24 WeakPolarHBondContact O-CG 3.43Å; V21-C25 WeakPolarHBondContact O-CB 3.44Å; V21-C25 PolarHBondContact O-N 2.8Å
22M94.5Very high89.6Confident12 Ų1250.4 Ų50.46%0.05928%0.284CS..Hα-helixtrans-68.1-37.3179.6-74.4-164.9-59.600113.1F18 G19 C25 G26 F175 L178F18-M22 HydrophobicContact CD1-CE 3.26Å; F18-M22 HydrophobicContact CD1-SD 4.14Å; F18-M22 HydrophobicContact CD2-CE 4.45Å; F18-M22 HydrophobicContact CD2-CG 4.47Å; F18-M22 HydrophobicContact CD2-SD 4.47Å; F18-M22 HydrophobicContact CE1-CE 2.97Å; F18-M22 HydrophobicContact CE1-CG 4.49Å; F18-M22 HydrophobicContact CE1-SD 3.44Å; F18-M22 WeakPolarHBondContact CE1-SD 3.2Å; F18-M22 HydrophobicContact CE2-CE 4.21Å; F18-M22 HydrophobicContact CE2-CG 4.15Å; F18-M22 HydrophobicContact CE2-SD 3.81Å; F18-M22 HydrophobicContact CG-CE 4.02Å; F18-M22 HydrophobicContact CZ-CE 3.5Å; F18-M22 HydrophobicContact CZ-CG 4.17Å; F18-M22 HydrophobicContact CZ-SD 3.23Å; F18-M22 WeakPolarHBondContact CZ-SD 3.41Å; F18-M22 PolarHBondContact O-N 3.14Å; G19-M22 PolarHBondContact O-N 3.35Å; M22-C25 PolarHBondContact O-N 3.48Å; M22-G26 PolarHBondContact O-N 3.48Å; M22-F175 HydrophobicContact CB-CB 4.49Å; M22-L178 HydrophobicContact CE-CB 3.88Å; M22-L178 HydrophobicContact SD-CB 4.27Å
23A93.7Very high91Very high2 Ų247.9 Ų47.92%0.01727%0.268CS..Hα-helixtrans-57.8-52.6179.700000114G19 G26 W27 I104 I130G19-A23 WeakPolarHBondContact O-CB 3.49Å; G19-A23 PolarHBondContact O-N 2.87Å; A23-G26 PolarHBondContact O-N 3.36Å; A23-W27 WeakPolarHBondContact O-CB 3.41Å; A23-W27 PolarHBondContact O-N 2.91Å; A23-I104 HydrophobicContact CB-CD1 4.46Å; A23-I104 HydrophobicContact CB-CG1 4.2Å; A23-I130 HydrophobicContact CB-CD1 3.92Å; A23-I130 HydrophobicContact CB-CG2 4Å
24P94.8Very high92Very high52 Ų5245.5 Ų45.534%0.33825%0.253SS..Hα-helixtrans-70.3-32.9176.527.2-34.9000112.9M20 V21 W27 I28 I104M20-P24 WeakPolarHBondContact O-CD 3.49Å; M20-P24 VanDerWaalsContact O-CG 3.28Å; M20-P24 WeakPolarHBondContact O-CG 3.5Å; V21-P24 WeakPolarHBondContact O-CD 3.27Å; V21-P24 WeakPolarHBondContact O-CG 3.43Å; P24-W27 PolarHBondContact O-N 3.4Å; P24-I28 WeakPolarHBondContact O-CG1 3.16Å; P24-I28 PolarHBondContact O-N 2.88Å; P24-I104 HydrophobicContact CB-CD1 4.5Å
25C96.4Very high92.6Very high51 Ų5147.7 Ų47.735%0.34526%0.255SS..Hα-helixtrans-63.3-46.7174.7-1780000111.1V21 M22 W27 I28 L29 F175V21-C25 WeakPolarHBondContact O-CB 3.44Å; V21-C25 PolarHBondContact O-N 2.8Å; M22-C25 PolarHBondContact O-N 3.48Å; C25-W27 VanDerWaalsContact C-N 3.34Å; C25-W27 PolarHBondContact O-N 3.33Å; C25-I28 PolarHBondContact O-N 2.98Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 2.54Å; C25-L29 VanDerWaalsContact O-N 3.11Å; C25-F175 HydrophobicContact CB-CD2 4.38Å
26G96.5Very high92.9Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-59.3-44.1173.400000111.9M22 A23 I28 L29 S30M22-G26 PolarHBondContact O-N 3.48Å; A23-G26 PolarHBondContact O-N 3.36Å; G26-I28 PolarHBondContact O-N 3.24Å; G26-L29 WeakPolarHBondContact O-CB 3.3Å; G26-L29 PolarHBondContact O-N 3.11Å; G26-L29 VanDerWaalsContact O-N 3.13Å; G26-S30 WeakPolarHBondContact O-CB 3.48Å; G26-S30 PolarHBondContact O-N 3.28Å; G26-S30 PolarHBondContact O-OG 3.16Å; G26-S30 VanDerWaalsContact O-OG 3.07Å
27W96.9Very high93.2Very high67 Ų6744.5 Ų44.525%0.25424%0.243SC..Hα-helixtrans-58.1-44.3176.7-173.778.2000113A23 P24 C25 L29 S30 L31 L97 L101 I104 E176A23-W27 WeakPolarHBondContact O-CB 3.41Å; A23-W27 PolarHBondContact O-N 2.91Å; P24-W27 PolarHBondContact O-N 3.4Å; C25-W27 VanDerWaalsContact C-N 3.34Å; C25-W27 PolarHBondContact O-N 3.33Å; W27-L29 VanDerWaalsContact C-N 3.35Å; W27-S30 PolarHBondContact O-N 3.45Å; W27-L31 HydrophobicContact CH2-CD2 3.94Å; W27-L31 HydrophobicContact CZ3-CD2 3.96Å; W27-L31 WeakPolarHBondContact O-CB 3.44Å; W27-L31 PolarHBondContact O-N 2.9Å; W27-L97 HydrophobicContact CD2-CD2 4.49Å; W27-L97 HydrophobicContact CG-CD2 4.45Å; W27-L97 HydrophobicContact CZ2-CD2 4.48Å; W27-L97 PolarHBondContact NE1-O 3Å; W27-L97 VanDerWaalsContact NE1-O 3.1Å; W27-L101 HydrophobicContact CZ2-CD1 4.11Å; W27-I104 HydrophobicContact CB-CD1 4.43Å; W27-E176 WeakPolarHBondContact CA-OE1 3.34Å; W27-E176 PolarHBondContact N-OE1 3.36Å
28I97.1Very high93.4Very high93 Ų9341 Ų4148%0.47723%0.225SC..Hα-helixtrans-63.5-42.5177.1-66.5166.4000110.4P24 C25 G26 L31 V32P24-I28 WeakPolarHBondContact O-CG1 3.16Å; P24-I28 PolarHBondContact O-N 2.88Å; C25-I28 PolarHBondContact O-N 2.98Å; G26-I28 PolarHBondContact O-N 3.24Å; I28-L31 WeakPolarHBondContact O-CB 3.44Å; I28-L31 PolarHBondContact O-N 3.37Å; I28-V32 HydrophobicContact CG2-CG2 4.45Å; I28-V32 VanDerWaalsContact O-CG2 3.3Å; I28-V32 WeakPolarHBondContact O-CG2 3.49Å; I28-V32 PolarHBondContact O-N 3.36Å
29L96.4Very high93.4Very high33 Ų3335.7 Ų35.717%0.17320%0.202CC..Hα-helixtrans-64.4-42177.2-67.4173.6000112C25 G26 W27 L31 V32 T33 L168 I171 F175C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 2.54Å; C25-L29 VanDerWaalsContact O-N 3.11Å; G26-L29 WeakPolarHBondContact O-CB 3.3Å; G26-L29 PolarHBondContact O-N 3.11Å; G26-L29 VanDerWaalsContact O-N 3.13Å; W27-L29 VanDerWaalsContact C-N 3.35Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.45Å; L29-T33 PolarHBondContact O-N 3.42Å; L29-T33 PolarHBondContact O-OG1 2.84Å; L29-L168 HydrophobicContact CD2-CD2 4.1Å; L29-I171 HydrophobicContact CD1-CB 4.36Å; L29-I171 HydrophobicContact CD1-CG2 3.77Å; L29-F175 HydrophobicContact CD1-CD2 4.27Å
30S95.3Very high93.5Very high0 Ų035.9 Ų35.90%020%0.202CC..Hα-helixtrans-61.7-40173.5-61.90000111.5G26 W27 T33 T34 T137 E176G26-S30 WeakPolarHBondContact O-CB 3.48Å; G26-S30 PolarHBondContact O-N 3.28Å; G26-S30 PolarHBondContact O-OG 3.16Å; G26-S30 VanDerWaalsContact O-OG 3.07Å; W27-S30 PolarHBondContact O-N 3.45Å; S30-T33 PolarHBondContact O-N 3.04Å; S30-T34 WeakPolarHBondContact O-CB 3.23Å; S30-T34 PolarHBondContact O-N 3.39Å; S30-T34 PolarHBondContact O-OG1 3.27Å; S30-T137 WeakPolarHBondContact OG-CG2 3.46Å; S30-E176 PolarHBondContact OG-OE1 3.1Å
31L95.8Very high93.6Very high62 Ų6233.7 Ų33.733%0.32519%0.193SC..Hα-helixtrans-65-48.6176.7-177.470.3000111.2W27 I28 L29 T33 T34 V35 L97W27-L31 HydrophobicContact CH2-CD2 3.94Å; W27-L31 HydrophobicContact CZ3-CD2 3.96Å; W27-L31 WeakPolarHBondContact O-CB 3.44Å; W27-L31 PolarHBondContact O-N 2.9Å; I28-L31 WeakPolarHBondContact O-CB 3.44Å; I28-L31 PolarHBondContact O-N 3.37Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.37Å; L31-T33 VanDerWaalsContact C-N 3.28Å; L31-T33 PolarHBondContact O-N 3.25Å; L31-T34 WeakPolarHBondContact O-CB 3.48Å; L31-T34 PolarHBondContact O-N 3.47Å; L31-T34 VanDerWaalsContact O-N 3.1Å; L31-V35 HydrophobicContact CD1-CG2 4.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.43Å; L31-V35 PolarHBondContact O-N 2.98Å; L31-L97 HydrophobicContact CB-CD2 3.92Å; L31-L97 HydrophobicContact CD1-CD1 3.91Å; L31-L97 HydrophobicContact CD1-CD2 4.2Å
32V95.1Very high93.4Very high63 Ų6329.3 Ų29.338%0.38217%0.166SC..Hα-helixtrans-59.7-42.7176.3172.50000110.2I28 L29 T34 V35 A36 L168I28-V32 HydrophobicContact CG2-CG2 4.45Å; I28-V32 VanDerWaalsContact O-CG2 3.3Å; I28-V32 WeakPolarHBondContact O-CG2 3.49Å; I28-V32 PolarHBondContact O-N 3.36Å; L29-V32 PolarHBondContact O-N 3.31Å; V32-T34 VanDerWaalsContact C-N 3.26Å; V32-T34 PolarHBondContact O-N 3.4Å; V32-V35 PolarHBondContact O-N 2.89Å; V32-A36 HydrophobicContact CG1-CB 4.48Å; V32-A36 WeakPolarHBondContact O-CB 3.19Å; V32-A36 PolarHBondContact O-N 3.04Å; V32-L168 HydrophobicContact CG1-CD1 3.83Å
33T94.6Very high93Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-60.8-37.2176.4-57.40000112L29 S30 L31 W39 M93 C165 G169L29-T33 WeakPolarHBondContact O-CB 3.45Å; L29-T33 PolarHBondContact O-N 3.42Å; L29-T33 PolarHBondContact O-OG1 2.84Å; S30-T33 PolarHBondContact O-N 3.04Å; L31-T33 VanDerWaalsContact C-N 3.28Å; L31-T33 PolarHBondContact O-N 3.25Å; T33-W39 HydrophobicContact CG2-CZ2 3.72Å; T33-W39 PolarHBondContact O-NE1 3.44Å; T33-M93 HydrophobicContact CG2-CE 3.78Å; T33-C165 HydrophobicContact CG2-CB 4.31Å; T33-C165 VanDerWaalsContact CG2-O 3.24Å; T33-C165 WeakPolarHBondContact CG2-O 3.37Å; T33-C165 PolarHBondContact OG1-O 2.99Å; T33-G169 WeakPolarHBondContact OG1-CA 3.28Å; T33-G169 PolarHBondContact OG1-N 2.73Å
34T93.2Very high92.4Very high8 Ų832.5 Ų32.55%0.04919%0.185CC..Hα-helixtrans-71.7-44.9179.8-53.50000111.7S30 L31 V32 F59 M93 L94 L97S30-T34 WeakPolarHBondContact O-CB 3.23Å; S30-T34 PolarHBondContact O-N 3.39Å; S30-T34 PolarHBondContact O-OG1 3.27Å; L31-T34 WeakPolarHBondContact O-CB 3.48Å; L31-T34 PolarHBondContact O-N 3.47Å; L31-T34 VanDerWaalsContact O-N 3.1Å; V32-T34 VanDerWaalsContact C-N 3.26Å; V32-T34 PolarHBondContact O-N 3.4Å; T34-F59 HydrophobicContact CG2-CD2 4.17Å; T34-F59 HydrophobicContact CG2-CE2 3.45Å; T34-F59 VanDerWaalsContact CG2-CE2 3.45Å; T34-F59 HydrophobicContact CG2-CZ 4.27Å; T34-F59 VanDerWaalsContact O-CD2 3.29Å; T34-F59 WeakPolarHBondContact O-CD2 3.28Å; T34-M93 HydrophobicContact CG2-CB 4.15Å; T34-M93 WeakPolarHBondContact OG1-CE 3.47Å; T34-L94 HydrophobicContact CG2-CD1 4.42Å; T34-L97 HydrophobicContact CG2-CD1 4.13Å
35V91.8Very high91.9Very high99 Ų9930.3 Ų30.360%0.617%0.171SC*.Hα-helixtrans-84.8-29.1-172.6177.40000112.6L31 V32L31-V35 HydrophobicContact CD1-CG2 4.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.43Å; L31-V35 PolarHBondContact O-N 2.98Å; V32-V35 PolarHBondContact O-N 2.89Å
36A90.5Very high91.2Very high13 Ų1332.4 Ų32.411%0.10718%0.182CC..  trans-74137.4-173.900000112.3V32 N38 C165V32-A36 HydrophobicContact CG1-CB 4.48Å; V32-A36 WeakPolarHBondContact O-CB 3.19Å; V32-A36 PolarHBondContact O-N 3.04Å; A36-N38 PolarHBondContact O-N 2.97Å; A36-N38 VanDerWaalsContact O-N 3.11Å; A36-C165 WeakPolarHBondContact CB-SG 3.3Å
37P87Confident90.3Very high25 Ų2536.6 Ų36.616%0.16223%0.226CC..SBendtrans-82.119.5-174.434.3-37.1000114.1E55 Q56 G57 C62P37-E55 CarbonylContact O-C 3.37Å; P37-E55 WeakPolarHBondContact O-CB 3.22Å; P37-Q56 CarbonylContact O-C 3.59Å; P37-Q56 PolarHBondContact O-N 3.31Å; P37-G57 PolarHBondContact O-N 3.24Å; P37-C62 HydrophobicContact CB-CB 4.3Å; P37-C62 VanDerWaalsContact CB-SG 3.55Å; P37-C62 HydrophobicContact CG-CB 4.45Å
38N90.1Very high89.5Confident19 Ų1934.9 Ų34.910%0.10222%0.223CC..  trans-119.761.5-170.9-170.4-73.3000111.1A36 E55 G163 Y164 C165A36-N38 PolarHBondContact O-N 2.97Å; A36-N38 VanDerWaalsContact O-N 3.11Å; N38-E55 VanDerWaalsContact CG-OE2 3.28Å; N38-E55 VanDerWaalsContact ND2-CD 3.32Å; N38-E55 PolarHBondContact ND2-OE2 2.87Å; N38-G163 CarbonylContact O-C 3.03Å; N38-G163 VanDerWaalsContact O-CA 3.3Å; N38-G163 WeakPolarHBondContact O-CA 3.3Å; N38-G163 VanDerWaalsContact OD1-C 3.3Å; N38-G163 WeakPolarHBondContact OD1-CA 3.36Å; N38-Y164 HydrophobicContact CB-CD1 3.82Å; N38-Y164 HydrophobicContact CB-CE1 3.29Å; N38-Y164 WeakPolarHBondContact ND2-CE1 3.36Å; N38-Y164 WeakPolarHBondContact OD1-CD1 3.47Å; N38-Y164 WeakPolarHBondContact OD1-CE1 3.24Å; N38-Y164 PolarHBondContact OD1-N 2.94Å; N38-C165 WeakPolarHBondContact O-CB 3.16Å; N38-C165 PolarHBondContact O-N 2.85Å; N38-C165 PolarHBondContact O-SG 3.36Å
39W91.7Very high88.7Confident0 Ų033.9 Ų33.90%022%0.222CC..SBendtrans-82.9-35.9169.2-81.155.3000111.2T33 Q56 I58 M93 V141 Y144 G163 L166T33-W39 HydrophobicContact CG2-CZ2 3.72Å; T33-W39 PolarHBondContact O-NE1 3.44Å; W39-Q56 WeakPolarHBondContact CA-O 3.28Å; W39-Q56 VanDerWaalsContact CB-O 3.31Å; W39-Q56 WeakPolarHBondContact CB-O 2.95Å; W39-Q56 PolarHBondContact N-O 2.93Å; W39-I58 HydrophobicContact CD2-CD1 3.79Å; W39-I58 HydrophobicContact CD2-CG1 3.61Å; W39-I58 VanDerWaalsContact CE2-CD1 3.45Å; W39-I58 HydrophobicContact CE3-CD1 3.75Å; W39-I58 HydrophobicContact CE3-CG1 3.85Å; W39-I58 HydrophobicContact CG-CG1 4.15Å; W39-I58 HydrophobicContact CH2-CD1 3.19Å; W39-I58 HydrophobicContact CH2-CG1 4.15Å; W39-I58 HydrophobicContact CZ2-CD1 3.16Å; W39-I58 HydrophobicContact CZ2-CG1 3.87Å; W39-I58 HydrophobicContact CZ3-CD1 3.48Å; W39-I58 VanDerWaalsContact CZ3-CD1 3.48Å; W39-I58 HydrophobicContact CZ3-CG1 4.13Å; W39-M93 HydrophobicContact CH2-CG 4.4Å; W39-M93 HydrophobicContact CH2-SD 4.37Å; W39-M93 HydrophobicContact CZ2-CE 4.28Å; W39-M93 HydrophobicContact CZ2-CG 4.41Å; W39-M93 HydrophobicContact CZ2-SD 4.44Å; W39-V141 HydrophobicContact CH2-CG2 3.92Å; W39-Y144 HydrophobicContact CB-CE1 4.05Å; W39-Y144 AromaticContact CE3-CD1 3.79Å; W39-Y144 HydrophobicContact CE3-CD1 3.79Å; W39-Y144 AromaticContact CE3-CD2 3.77Å; W39-Y144 HydrophobicContact CE3-CD2 3.77Å; W39-Y144 AromaticContact CE3-CE1 3.99Å; W39-Y144 HydrophobicContact CE3-CE1 3.99Å; W39-Y144 AromaticContact CE3-CE2 3.96Å; W39-Y144 HydrophobicContact CE3-CE2 3.96Å; W39-Y144 AromaticContact CE3-CG 3.67Å; W39-Y144 HydrophobicContact CE3-CG 3.67Å; W39-Y144 HydrophobicContact CZ3-CD1 4.34Å; W39-Y144 HydrophobicContact CZ3-CD2 4.07Å; W39-Y144 AromaticContact CZ3-CG 3.87Å; W39-Y144 HydrophobicContact CZ3-CG 3.87Å; W39-G163 WeakPolarHBondContact O-CA 3.36Å; W39-G163 PolarHBondContact O-N 3.34Å; W39-L166 HydrophobicContact CD2-CD2 4.01Å; W39-L166 HydrophobicContact CE3-CD2 3.47Å; W39-L166 VanDerWaalsContact CE3-CD2 3.47Å; W39-L166 HydrophobicContact CH2-CD2 4.45Å; W39-L166 HydrophobicContact CZ3-CD2 3.72Å; W39-L166 WeakPolarHBondContact O-CD1 3.47Å
40R90.8Very high87.8Confident3 Ų338.9 Ų38.91%0.01125%0.254CS..EExtended strand (participates in β ladder)trans-147.5153.3171.168.1179.3179.1159-0.2111.3Q56 Y144 L148 I151 T153 T160 R161R40-Q56 HydrophobicContact CG-CB 3.85Å; R40-Q56 PolarHBondContact N-O 3.14Å; R40-Q56 PolarHBondContact O-N 3.13Å; R40-Y144 HydrophobicContact CB-CE1 4.47Å; R40-Y144 VanDerWaalsContact CD-OH 3.28Å; R40-Y144 WeakPolarHBondContact CD-OH 3.39Å; R40-Y144 WeakPolarHBondContact CG-OH 3.24Å; R40-L148 HydrophobicContact CB-CD1 3.84Å; R40-I151 PolarHBondContact NH1-O 3.32Å; R40-T153 VanDerWaalsContact CZ-CG2 3.49Å; R40-T160 HydrophobicContact CB-CG2 4.49Å; R40-R161 WeakPolarHBondContact CA-O 2.92Å
41T89.9Confident87.2Confident13 Ų1341.6 Ų41.68%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-119.8138.7-178.578.30000110.8H43 Y54 E55 R161T41-H43 PolarHBondContact OG1-NE2 3.32Å; T41-Y54 WeakPolarHBondContact CA-O 3.19Å; T41-E55 WeakPolarHBondContact CB-OE1 3.49Å; T41-E55 WeakPolarHBondContact CG2-OE1 3.47Å; T41-E55 WeakPolarHBondContact CG2-OE2 3.04Å; T41-R161 PolarHBondContact N-O 2.91Å; T41-R161 PolarHBondContact O-N 3.34Å; T41-R161 WeakPolarHBondContact OG1-CB 3.47Å
42L88.6Confident86.5Confident1 Ų143.6 Ų43.61%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-120.1107.8-176.9-63.4-169000109.8V45 V53 Y54 Q56 T153 F155 R157 T160L42-V45 HydrophobicContact CB-CG2 4.25Å; L42-V53 WeakPolarHBondContact O-CA 3.35Å; L42-Y54 PolarHBondContact N-O 3.3Å; L42-Y54 PolarHBondContact O-N 3.22Å; L42-Q56 VanDerWaalsContact CD1-OE1 3.26Å; L42-T153 HydrophobicContact CD1-CG2 4.25Å; L42-F155 HydrophobicContact CD1-CB 4.42Å; L42-F155 HydrophobicContact CD1-CD2 4.1Å; L42-R157 VanDerWaalsContact C-NE 3.27Å; L42-R157 VanDerWaalsContact CB-CD 3.41Å; L42-R157 HydrophobicContact CD2-CG 4.01Å; L42-T160 HydrophobicContact CD2-CG2 3.88Å
43H87Confident86.1Confident60 Ų6041.4 Ų41.428%0.27826%0.258SS..EExtended strand (participates in β ladder)trans-97.790-175-64.2-80.3000121.6T41 V53 R157 T158T41-H43 PolarHBondContact OG1-NE2 3.32Å; H43-V53 VanDerWaalsContact ND1-CG1 3.34Å; H43-V53 WeakPolarHBondContact ND1-CG1 3.28Å; H43-R157 PolarHBondContact O-NH1 3.34Å; H43-R157 PolarHBondContact O-NH2 3.44Å; H43-T158 PolarHBondContact O-OG1 2.94Å
44G82.1Confident85.8Confident20 Ų2042.6 Ų42.621%0.20626%0.263CS..SBendtrans95.255.9-17900000112.1R157 T158G44-R157 PolarHBondContact O-NH1 3.1Å; G44-T158 PolarHBondContact O-OG1 3.5Å
45V83.4Confident85.6Confident7 Ų743.3 Ų43.34%0.04227%0.266CS..  trans-68.9142.7171.2170.40000108.9L42 G47 V48 Y54 F155 V156L42-V45 HydrophobicContact CB-CG2 4.25Å; V45-G47 PolarHBondContact O-N 3.05Å; V45-V48 HydrophobicContact CB-CB 4.5Å; V45-V48 HydrophobicContact CG1-CG2 4.42Å; V45-V48 PolarHBondContact O-N 3.08Å; V45-Y54 HydrophobicContact CB-CD2 4.05Å; V45-Y54 HydrophobicContact CB-CE2 3.8Å; V45-Y54 HydrophobicContact CG1-CD2 4.46Å; V45-Y54 HydrophobicContact CG1-CE2 3.9Å; V45-Y54 HydrophobicContact CG2-CD2 3.57Å; V45-Y54 HydrophobicContact CG2-CE2 3.84Å; V45-F155 HydrophobicContact CG1-CB 3.82Å; V45-F155 HydrophobicContact CG1-CD1 4.08Å; V45-F155 HydrophobicContact CG1-CG 4.24Å; V45-F155 HydrophobicContact CG2-CB 4.18Å; V45-V156 VanDerWaalsContact CA-O 3.31Å; V45-V156 WeakPolarHBondContact CA-O 3.47Å
46T82Confident85.5Confident94 Ų9438.6 Ų38.658%0.57724%0.237SC*.THydrogen-bonded Turntrans-61.1131.1-179.257.20000111.3V48 V156T46-V48 VanDerWaalsContact C-N 3.34Å; T46-V156 HydrophobicContact CG2-CB 3.85Å; T46-V156 HydrophobicContact CG2-CG1 3.74Å; T46-V156 PolarHBondContact N-O 2.99Å; T46-V156 VanDerWaalsContact N-O 3.13Å
47G77.8Confident85.4Confident89 Ų8938 Ų3892%0.91823%0.232SC*.THydrogen-bonded Turntrans84.73.6179.800000114.8V45V45-G47 PolarHBondContact O-N 3.05Å
48V80Confident85.4Confident31 Ų3136.9 Ų36.919%0.18823%0.225CC..SBendtrans-118.5137.71761780000109.4V45 T46 R52 Y54 I63V45-V48 HydrophobicContact CB-CB 4.5Å; V45-V48 HydrophobicContact CG1-CG2 4.42Å; V45-V48 PolarHBondContact O-N 3.08Å; T46-V48 VanDerWaalsContact C-N 3.34Å; V48-R52 HydrophobicContact CG1-CB 3.69Å; V48-R52 HydrophobicContact CG1-CG 4.46Å; V48-Y54 HydrophobicContact CB-CE2 4.41Å; V48-Y54 HydrophobicContact CG1-CE2 4.3Å; V48-Y54 HydrophobicContact CG2-CE2 3.86Å; V48-Y54 WeakPolarHBondContact CG2-OH 3.49Å; V48-I63 HydrophobicContact CG1-CD1 4.1Å
49P80.2Confident85.2Confident71 Ų7140.2 Ų40.246%0.46124%0.239SC..  trans-65.3147.7179.928.4-35.3000111.2D51 R52P49-D51 VanDerWaalsContact C-OD1 3.32Å; P49-D51 WeakPolarHBondContact CB-OD1 3.27Å; P49-D51 WeakPolarHBondContact CG-OD1 3.3Å; P49-D51 PolarHBondContact O-N 2.95Å; P49-R52 HydrophobicContact CG-CG 4.27Å; P49-R52 PolarHBondContact O-N 3.27Å
50V77.8Confident84.9Confident138 Ų13844.5 Ų44.584%0.83626%0.262SS*.THydrogen-bonded Turntrans-62.8-15.6-170.2-64.50000114.2R52V50-R52 VanDerWaalsContact C-N 3.29Å
51D81.9Confident84.7Confident58 Ų5844.7 Ų44.731%0.3126%0.263SS..THydrogen-bonded Turntrans-76.6-14.4175.764.5-32.7000112.8P49 T66P49-D51 VanDerWaalsContact C-OD1 3.32Å; P49-D51 WeakPolarHBondContact CB-OD1 3.27Å; P49-D51 WeakPolarHBondContact CG-OD1 3.3Å; P49-D51 PolarHBondContact O-N 2.95Å; D51-T66 VanDerWaalsContact O-CB 3.3Å; D51-T66 WeakPolarHBondContact O-CB 3.37Å; D51-T66 PolarHBondContact O-N 3.19Å; D51-T66 PolarHBondContact O-OG1 3.43Å
52R82.1Confident84.6Confident104 Ų10444.1 Ų44.139%0.39226%0.26SS..EExtended strand (participates in β ladder)trans-106.1141.5179-57-168.4-170.1-171.74112.8V48 P49 V50 I63 A64 A65V48-R52 HydrophobicContact CG1-CB 3.69Å; V48-R52 HydrophobicContact CG1-CG 4.46Å; P49-R52 HydrophobicContact CG-CG 4.27Å; P49-R52 PolarHBondContact O-N 3.27Å; V50-R52 VanDerWaalsContact C-N 3.29Å; R52-I63 HydrophobicContact CB-CD1 4.19Å; R52-I63 HydrophobicContact CB-CG1 4.24Å; R52-A64 WeakPolarHBondContact CA-O 3.17Å; R52-A65 HydrophobicContact CG-CB 4.03Å
53V86.6Confident84.5Confident16 Ų1645 Ų4510%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-125.2144.5178.8-620000109.5L42 H43 E55 A64L42-V53 WeakPolarHBondContact O-CA 3.35Å; H43-V53 VanDerWaalsContact ND1-CG1 3.34Å; H43-V53 WeakPolarHBondContact ND1-CG1 3.28Å; V53-E55 HydrophobicContact CG2-CG 4.33Å; V53-E55 WeakPolarHBondContact CG2-OE1 3.19Å; V53-A64 HydrophobicContact CG2-CB 4.42Å; V53-A64 PolarHBondContact N-O 2.98Å; V53-A64 PolarHBondContact O-N 2.94Å
54Y87.5Confident84.2Confident26 Ų2643 Ų4310%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-93.2128.7169.8-68.5-100.9000109.4T41 L42 V45 V48 I63 V75 F155T41-Y54 WeakPolarHBondContact CA-O 3.19Å; L42-Y54 PolarHBondContact N-O 3.3Å; L42-Y54 PolarHBondContact O-N 3.22Å; V45-Y54 HydrophobicContact CB-CD2 4.05Å; V45-Y54 HydrophobicContact CB-CE2 3.8Å; V45-Y54 HydrophobicContact CG1-CD2 4.46Å; V45-Y54 HydrophobicContact CG1-CE2 3.9Å; V45-Y54 HydrophobicContact CG2-CD2 3.57Å; V45-Y54 HydrophobicContact CG2-CE2 3.84Å; V48-Y54 HydrophobicContact CB-CE2 4.41Å; V48-Y54 HydrophobicContact CG1-CE2 4.3Å; V48-Y54 HydrophobicContact CG2-CE2 3.86Å; V48-Y54 WeakPolarHBondContact CG2-OH 3.49Å; Y54-I63 HydrophobicContact CD1-CB 4.1Å; Y54-I63 HydrophobicContact CD1-CG1 4.37Å; Y54-I63 HydrophobicContact CD2-CD1 4.48Å; Y54-I63 HydrophobicContact CE1-CB 4.12Å; Y54-I63 HydrophobicContact CE1-CD1 3.97Å; Y54-I63 HydrophobicContact CE1-CG1 4.29Å; Y54-I63 HydrophobicContact CE2-CD1 3.95Å; Y54-V75 HydrophobicContact CD1-CG1 4.5Å; Y54-V75 HydrophobicContact CE1-CG1 4.07Å; Y54-F155 HydrophobicContact CD1-CE1 4.48Å; Y54-F155 HydrophobicContact CD1-CE2 4.02Å; Y54-F155 HydrophobicContact CD1-CZ 4Å; Y54-F155 HydrophobicContact CE1-CD1 4.44Å; Y54-F155 AromaticContact CE1-CE1 3.82Å; Y54-F155 HydrophobicContact CE1-CE1 3.82Å; Y54-F155 HydrophobicContact CE1-CE2 4.15Å; Y54-F155 AromaticContact CE1-CZ 3.66Å; Y54-F155 HydrophobicContact CE1-CZ 3.66Å; Y54-F155 AromaticContact CZ-CE1 3.92Å
55E89.1Confident83.8Confident22 Ų2242.8 Ų42.810%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-110.3109.5179.3-63.6-59.5156.600106.9P37 N38 T41 V53 C62 A64P37-E55 CarbonylContact O-C 3.37Å; P37-E55 WeakPolarHBondContact O-CB 3.22Å; N38-E55 VanDerWaalsContact CG-OE2 3.28Å; N38-E55 VanDerWaalsContact ND2-CD 3.32Å; N38-E55 PolarHBondContact ND2-OE2 2.87Å; T41-E55 WeakPolarHBondContact CB-OE1 3.49Å; T41-E55 WeakPolarHBondContact CG2-OE1 3.47Å; T41-E55 WeakPolarHBondContact CG2-OE2 3.04Å; V53-E55 HydrophobicContact CG2-CG 4.33Å; V53-E55 WeakPolarHBondContact CG2-OE1 3.19Å; E55-C62 HydrophobicContact CB-CB 4.49Å; E55-C62 PolarHBondContact N-O 2.85Å; E55-C62 PolarHBondContact O-N 3.49Å; E55-C62 VanDerWaalsContact O-O 3.14Å; E55-A64 HydrophobicContact CG-CB 4.43Å
56Q88.9Confident83.2Confident0 Ų047.9 Ų47.90%029%0.286CS..EExtended strand (participates in β ladder)trans-102.8117.1-178.3-72.3174.8-53.100109.2P37 W39 R40 L42 V61 D77 Y80P37-Q56 CarbonylContact O-C 3.59Å; P37-Q56 PolarHBondContact O-N 3.31Å; W39-Q56 WeakPolarHBondContact CA-O 3.28Å; W39-Q56 VanDerWaalsContact CB-O 3.31Å; W39-Q56 WeakPolarHBondContact CB-O 2.95Å; W39-Q56 PolarHBondContact N-O 2.93Å; R40-Q56 HydrophobicContact CG-CB 3.85Å; R40-Q56 PolarHBondContact N-O 3.14Å; R40-Q56 PolarHBondContact O-N 3.13Å; L42-Q56 VanDerWaalsContact CD1-OE1 3.26Å; Q56-V61 HydrophobicContact CB-CG2 4.38Å; Q56-V61 HydrophobicContact CG-CB 4.43Å; Q56-V61 HydrophobicContact CG-CG1 3.69Å; Q56-V61 HydrophobicContact CG-CG2 4Å; Q56-D77 PolarHBondContact NE2-OD2 3.44Å; Q56-Y80 HydrophobicContact CB-CE1 4.26Å
57G89Confident82.4Confident1 Ų147.9 Ų47.91%0.0129%0.29CS..  trans-92.1-169.6169.300000111.8P37 D60 Y80P37-G57 PolarHBondContact O-N 3.24Å; G57-D60 VanDerWaalsContact CA-O 3.27Å; G57-D60 WeakPolarHBondContact CA-O 3.45Å; G57-D60 PolarHBondContact N-O 2.9Å; G57-Y80 WeakPolarHBondContact O-CE1 3.38Å; G57-Y80 PolarHBondContact O-OH 3.29Å
58I87.3Confident81.6Confident2 Ų247.3 Ų47.31%0.0127%0.268CS..SBendtrans-84.8-37.6170.8-81.2-169.9000112W39 Q90 M93W39-I58 HydrophobicContact CD2-CD1 3.79Å; W39-I58 HydrophobicContact CD2-CG1 3.61Å; W39-I58 VanDerWaalsContact CE2-CD1 3.45Å; W39-I58 HydrophobicContact CE3-CD1 3.75Å; W39-I58 HydrophobicContact CE3-CG1 3.85Å; W39-I58 HydrophobicContact CG-CG1 4.15Å; W39-I58 HydrophobicContact CH2-CD1 3.19Å; W39-I58 HydrophobicContact CH2-CG1 4.15Å; W39-I58 HydrophobicContact CZ2-CD1 3.16Å; W39-I58 HydrophobicContact CZ2-CG1 3.87Å; W39-I58 HydrophobicContact CZ3-CD1 3.48Å; W39-I58 VanDerWaalsContact CZ3-CD1 3.48Å; W39-I58 HydrophobicContact CZ3-CG1 4.13Å; I58-Q90 HydrophobicContact CG2-CB 4.16Å; I58-Q90 HydrophobicContact CG2-CG 3.15Å; I58-Q90 PolarHBondContact O-NE2 3.32Å; I58-M93 HydrophobicContact CD1-CG 4.44Å
59F85.8Confident80.8Confident88 Ų8855.4 Ų55.439%0.38630%0.304SS..SBendtrans-99.8-39.5-177-69.2-81.8000112.6T34 Q90 L94T34-F59 HydrophobicContact CG2-CD2 4.17Å; T34-F59 HydrophobicContact CG2-CE2 3.45Å; T34-F59 VanDerWaalsContact CG2-CE2 3.45Å; T34-F59 HydrophobicContact CG2-CZ 4.27Å; T34-F59 VanDerWaalsContact O-CD2 3.29Å; T34-F59 WeakPolarHBondContact O-CD2 3.28Å; F59-Q90 HydrophobicContact CD1-CG 4.38Å; F59-Q90 HydrophobicContact CE1-CB 4.07Å; F59-Q90 HydrophobicContact CE1-CG 3.74Å; F59-Q90 HydrophobicContact CE2-CG 4.3Å; F59-Q90 HydrophobicContact CZ-CB 3.81Å; F59-Q90 HydrophobicContact CZ-CG 3.65Å; F59-L94 HydrophobicContact CE1-CD1 3.89Å; F59-L94 HydrophobicContact CE2-CD1 4.03Å; F59-L94 HydrophobicContact CZ-CD1 3.19Å
60D85.2Confident80Confident91 Ų9162 Ų6249%0.48732%0.32SS..  trans-128.5149.1-176.3-66.8-48.8000111G57G57-D60 VanDerWaalsContact CA-O 3.27Å; G57-D60 WeakPolarHBondContact CA-O 3.45Å; G57-D60 PolarHBondContact N-O 2.9Å
61V87.3Confident79.9Confident7 Ų760.2 Ų60.24%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-116.1124.1171.9176.50000108.3Q56 C73 V75 Y80Q56-V61 HydrophobicContact CB-CG2 4.38Å; Q56-V61 HydrophobicContact CG-CB 4.43Å; Q56-V61 HydrophobicContact CG-CG1 3.69Å; Q56-V61 HydrophobicContact CG-CG2 4Å; V61-C73 CarbonylContact O-C 3.59Å; V61-V75 WeakPolarHBondContact CB-O 3.4Å; V61-V75 HydrophobicContact CG1-CB 4.33Å; V61-V75 HydrophobicContact CG1-CG1 4.45Å; V61-Y80 HydrophobicContact CG2-CD1 4.15Å; V61-Y80 HydrophobicContact CG2-CE1 4.29Å
62C87.7Confident79.9Confident1 Ų162.1 Ų62.11%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-117.3148.2-177.5-55.90000111.5P37 E55 Q71 N72 C73P37-C62 HydrophobicContact CB-CB 4.3Å; P37-C62 VanDerWaalsContact CB-SG 3.55Å; P37-C62 HydrophobicContact CG-CB 4.45Å; E55-C62 HydrophobicContact CB-CB 4.49Å; E55-C62 PolarHBondContact N-O 2.85Å; E55-C62 PolarHBondContact O-N 3.49Å; E55-C62 VanDerWaalsContact O-O 3.14Å; C62-Q71 HydrophobicContact CB-CG 3.95Å; C62-N72 WeakPolarHBondContact CA-O 3.38Å; C62-C73 HydrophobicContact CB-CB 4.1Å; C62-C73 WeakPolarHBondContact CB-SG 3.43Å; C62-C73 VanDerWaalsContact SG-CA 3.56Å; C62-C73 WeakPolarHBondContact SG-CB 3.15Å; C62-C73 CovalentContact SG-SG 2.05Å; C62-C73 PolarHBondContact SG-SG 3.34Å
63I85.5Confident79.8Confident18 Ų1859.6 Ų59.69%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-108.2121.9164.7-172.5174.1000108.5V48 R52 Y54 N72 V75V48-I63 HydrophobicContact CG1-CD1 4.1Å; R52-I63 HydrophobicContact CB-CD1 4.19Å; R52-I63 HydrophobicContact CB-CG1 4.24Å; Y54-I63 HydrophobicContact CD1-CB 4.1Å; Y54-I63 HydrophobicContact CD1-CG1 4.37Å; Y54-I63 HydrophobicContact CD2-CD1 4.48Å; Y54-I63 HydrophobicContact CE1-CB 4.12Å; Y54-I63 HydrophobicContact CE1-CD1 3.97Å; Y54-I63 HydrophobicContact CE1-CG1 4.29Å; Y54-I63 HydrophobicContact CE2-CD1 3.95Å; I63-N72 HydrophobicContact CG2-CB 3.88Å; I63-N72 PolarHBondContact N-O 3.26Å; I63-N72 PolarHBondContact O-N 2.87Å; I63-N72 VanDerWaalsContact O-N 3.16Å; I63-V75 HydrophobicContact CB-CG2 4.48Å; I63-V75 HydrophobicContact CG2-CG2 4.02Å
64A80.4Confident79.3Confident19 Ų1963.6 Ų63.616%0.15735%0.345CS..EExtended strand (participates in β ladder)trans-114.5136.9179.100000109.7R52 V53 E55 Q71R52-A64 WeakPolarHBondContact CA-O 3.17Å; V53-A64 HydrophobicContact CG2-CB 4.42Å; V53-A64 PolarHBondContact N-O 2.98Å; V53-A64 PolarHBondContact O-N 2.94Å; E55-A64 HydrophobicContact CG-CB 4.43Å; A64-Q71 HydrophobicContact CB-CG 4.37Å
65A75.3Confident78.9Confident16 Ų1664.2 Ų64.213%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-91.7133.317000000109.1R52 S67 T68R52-A65 HydrophobicContact CG-CB 4.03Å; A65-S67 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact O-N 3.11Å; A65-T68 PolarHBondContact O-N 2.98Å
66T69.1Low78.3Confident114 Ų11468.7 Ų68.770%0.69938%0.381SS*.THydrogen-bonded Turntrans-59.8-24.9179.6-530000112.2D51D51-T66 VanDerWaalsContact O-CB 3.3Å; D51-T66 WeakPolarHBondContact O-CB 3.37Å; D51-T66 PolarHBondContact O-N 3.19Å; D51-T66 PolarHBondContact O-OG1 3.43Å
67S65.2Low77.9Confident94 Ų9468.7 Ų68.766%0.65738%0.381SS*.THydrogen-bonded Turntrans-113.3-10.6-174.358.70000115.1A65A65-S67 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact O-N 3.11Å
68T62.1Low77.6Confident76 Ų7673.1 Ų73.147%0.46641%0.408SS..EExtended strand (participates in β ladder)trans-125.8134.7-170.3-39.60000111.2A65 R70A65-T68 PolarHBondContact O-N 2.98Å; T68-R70 PolarHBondContact O-N 3.11Å; T68-R70 VanDerWaalsContact O-N 3.09Å
69E64Low77.4Confident202 Ų20274 Ų7494%0.94442%0.415SS*.EExtended strand (participates in β ladder)trans-68.5-5-178.6-160.3176.5179.300114.5Q71E69-Q71 PolarHBondContact O-N 3.06Å
70R62.8Low77.3Confident209 Ų20969.8 Ų69.879%0.78940%0.397SS*.EExtended strand (participates in β ladder)trans-86102178.3-71.1-176-176147.51.5110.7T68T68-R70 PolarHBondContact O-N 3.11Å; T68-R70 VanDerWaalsContact O-N 3.09Å
71Q76Confident77.2Confident100 Ų10069.5 Ų69.547%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-96125.1168.4-174.6175.6-66.100109.8C62 A64 E69 C73C62-Q71 HydrophobicContact CB-CG 3.95Å; A64-Q71 HydrophobicContact CB-CG 4.37Å; E69-Q71 PolarHBondContact O-N 3.06Å; Q71-C73 PolarHBondContact NE2-SG 3.4Å
72N80.2Confident77.2Confident98 Ų9873 Ų7352%0.52442%0.42SS..EExtended strand (participates in β ladder)trans-103.8115.9175.1-70.1-19.2000109.1C62 I63C62-N72 WeakPolarHBondContact CA-O 3.38Å; I63-N72 HydrophobicContact CG2-CB 3.88Å; I63-N72 PolarHBondContact N-O 3.26Å; I63-N72 PolarHBondContact O-N 2.87Å; I63-N72 VanDerWaalsContact O-N 3.16Å
73C81.8Confident77.2Confident51 Ų5174.8 Ų74.835%0.34543%0.429SS..  trans-103.69.4-177.1-69.80000115.2V61 C62 Q71 V75V61-C73 CarbonylContact O-C 3.59Å; C62-C73 HydrophobicContact CB-CB 4.1Å; C62-C73 WeakPolarHBondContact CB-SG 3.43Å; C62-C73 VanDerWaalsContact SG-CA 3.56Å; C62-C73 WeakPolarHBondContact SG-CB 3.15Å; C62-C73 CovalentContact SG-SG 2.05Å; C62-C73 PolarHBondContact SG-SG 3.34Å; Q71-C73 PolarHBondContact NE2-SG 3.4Å; C73-V75 VanDerWaalsContact C-N 3.34Å; C73-V75 PolarHBondContact O-N 3.2Å
74A75.8Confident77.4Confident101 Ų10179.6 Ų79.684%0.83546%0.455SS*.BIsolated β-bridgetrans-97.838.1179.200000112.3
75V78.4Confident77.8Confident39 Ų3979.6 Ų79.624%0.23645%0.452CS..  trans-96123.7179.4-177.20000108.8Y54 V61 I63 C73 F155Y54-V75 HydrophobicContact CD1-CG1 4.5Å; Y54-V75 HydrophobicContact CE1-CG1 4.07Å; V61-V75 WeakPolarHBondContact CB-O 3.4Å; V61-V75 HydrophobicContact CG1-CB 4.33Å; V61-V75 HydrophobicContact CG1-CG1 4.45Å; I63-V75 HydrophobicContact CB-CG2 4.48Å; I63-V75 HydrophobicContact CG2-CG2 4.02Å; C73-V75 VanDerWaalsContact C-N 3.34Å; C73-V75 PolarHBondContact O-N 3.2Å; V75-F155 HydrophobicContact CG1-CZ 3.87Å
76T76.4Confident78.5Confident115 Ų11578.9 Ų78.971%0.70645%0.447SS*.  trans-98.2120.617752.50000110.7
77D80.3Confident79.6Confident0 Ų080.1 Ų80.10%044%0.444CS..  trans-109.6103.9169.5-174.4-22.9000107.9Q56 A79 Y80 N81 D154 F155Q56-D77 PolarHBondContact NE2-OD2 3.44Å; D77-A79 PolarHBondContact OD1-N 3.46Å; D77-Y80 WeakPolarHBondContact OD1-CB 3.3Å; D77-Y80 PolarHBondContact OD1-N 3.26Å; D77-N81 WeakPolarHBondContact O-CB 3.47Å; D77-N81 VanDerWaalsContact O-CG 3.28Å; D77-N81 PolarHBondContact O-N 3.39Å; D77-N81 VanDerWaalsContact O-N 3.1Å; D77-N81 PolarHBondContact O-ND2 2.82Å; D77-D154 PolarHBondContact OD1-N 3.12Å; D77-F155 HydrophobicContact CB-CE2 3.9Å; D77-F155 HydrophobicContact CB-CZ 4.43Å; D77-F155 WeakPolarHBondContact OD2-CD2 3.35Å; D77-F155 WeakPolarHBondContact OD2-CE2 3.3Å
78T83.3Confident80.9Confident94 Ų9480.3 Ų80.358%0.57744%0.437SS*.Hα-helixtrans-73.8-40.4-172.557.10000111.6Y80 N81 S82 D154T78-Y80 VanDerWaalsContact C-N 3.34Å; T78-Y80 PolarHBondContact O-N 2.03Å; T78-N81 PolarHBondContact O-N 3.28Å; T78-S82 WeakPolarHBondContact O-CB 3.48Å; T78-S82 PolarHBondContact O-N 2.87Å; T78-D154 PolarHBondContact N-OD2 3.33Å; T78-D154 PolarHBondContact OG1-OD2 3.42Å
79A83.7Confident82.4Confident20 Ų2076.7 Ų76.717%0.16542%0.415CS..Hα-helixtrans-61.9-43.917400000111D77 S82 N83 D154D77-A79 PolarHBondContact OD1-N 3.46Å; A79-S82 PolarHBondContact O-N 2.96Å; A79-S82 PolarHBondContact O-OG 3.31Å; A79-N83 PolarHBondContact O-ND2 3.48Å; A79-D154 WeakPolarHBondContact CB-OD1 3.18Å; A79-D154 PolarHBondContact N-OD1 3.26Å; A79-D154 PolarHBondContact N-OD2 3.1Å
80Y83.6Confident83.8Confident0 Ų069.8 Ų69.80%038%0.382CS..Hα-helixtrans-60.9-49.8178.2179.1-116.3000112.4Q56 G57 V61 D77 T78 S82 N83 I86 Y144 I151Q56-Y80 HydrophobicContact CB-CE1 4.26Å; G57-Y80 WeakPolarHBondContact O-CE1 3.38Å; G57-Y80 PolarHBondContact O-OH 3.29Å; V61-Y80 HydrophobicContact CG2-CD1 4.15Å; V61-Y80 HydrophobicContact CG2-CE1 4.29Å; D77-Y80 WeakPolarHBondContact OD1-CB 3.3Å; D77-Y80 PolarHBondContact OD1-N 3.26Å; T78-Y80 VanDerWaalsContact C-N 3.34Å; T78-Y80 PolarHBondContact O-N 2.03Å; Y80-S82 PolarHBondContact O-N 3.47Å; Y80-N83 WeakPolarHBondContact CA-ND2 3.41Å; Y80-N83 WeakPolarHBondContact O-CB 3.17Å; Y80-N83 PolarHBondContact O-N 3.28Å; Y80-N83 VanDerWaalsContact O-N 3.15Å; Y80-N83 PolarHBondContact O-ND2 3.25Å; Y80-N83 VanDerWaalsContact O-ND2 3.08Å; Y80-I86 HydrophobicContact CD2-CD1 4.26Å; Y80-I86 HydrophobicContact CD2-CG1 4.32Å; Y80-I86 HydrophobicContact CE1-CD1 4.15Å; Y80-I86 HydrophobicContact CE1-CG1 4.37Å; Y80-I86 HydrophobicContact CE2-CD1 3.5Å; Y80-I86 HydrophobicContact CE2-CG1 4.04Å; Y80-I86 VanDerWaalsContact CZ-CD1 3.44Å; Y80-I86 WeakPolarHBondContact O-CG1 3.29Å; Y80-I86 WeakPolarHBondContact OH-CD1 3.37Å; Y80-Y144 PolarHBondContact OH-OH 2.64Å; Y80-Y144 VanDerWaalsContact OH-OH 3.08Å; Y80-I151 HydrophobicContact CD2-CG2 3.69Å; Y80-I151 HydrophobicContact CE2-CG2 3.85Å
81N83.2Confident85.3Confident86 Ų8661.9 Ų61.946%0.4637%0.366SS..Hα-helixtrans-66.2-25.3-179-71.3-10.9000113.1D77 T78 N83D77-N81 WeakPolarHBondContact O-CB 3.47Å; D77-N81 VanDerWaalsContact O-CG 3.28Å; D77-N81 PolarHBondContact O-N 3.39Å; D77-N81 VanDerWaalsContact O-N 3.1Å; D77-N81 PolarHBondContact O-ND2 2.82Å; T78-N81 PolarHBondContact O-N 3.28Å; N81-N83 PolarHBondContact O-N 2.91Å
82S87.2Confident86.2Confident81 Ų8159.1 Ų59.157%0.56636%0.355SS*.THydrogen-bonded Turntrans-73.4-12.6176.5760000114.1T78 A79 Y80 N84T78-S82 WeakPolarHBondContact O-CB 3.48Å; T78-S82 PolarHBondContact O-N 2.87Å; A79-S82 PolarHBondContact O-N 2.96Å; A79-S82 PolarHBondContact O-OG 3.31Å; Y80-S82 PolarHBondContact O-N 3.47Å; S82-N84 PolarHBondContact O-N 3Å
83N87.9Confident86.9Confident37 Ų3754.5 Ų54.520%0.19833%0.33CS..SBendtrans-72.5122.9179.9-70.7-73.4000110.6A79 Y80 N81 I85 I86 S152A79-N83 PolarHBondContact O-ND2 3.48Å; Y80-N83 WeakPolarHBondContact CA-ND2 3.41Å; Y80-N83 WeakPolarHBondContact O-CB 3.17Å; Y80-N83 PolarHBondContact O-N 3.28Å; Y80-N83 VanDerWaalsContact O-N 3.15Å; Y80-N83 PolarHBondContact O-ND2 3.25Å; Y80-N83 VanDerWaalsContact O-ND2 3.08Å; N81-N83 PolarHBondContact O-N 2.91Å; N83-I85 HydrophobicContact CB-CG2 4.03Å; N83-I85 PolarHBondContact O-N 3.43Å; N83-I86 HydrophobicContact CB-CG1 4.18Å; N83-I86 WeakPolarHBondContact O-CB 3.48Å; N83-I86 PolarHBondContact O-N 3.34Å; N83-S152 PolarHBondContact ND2-O 3.24Å; N83-S152 PolarHBondContact ND2-OG 2.85Å; N83-S152 PolarHBondContact OD1-OG 3.43Å
84N88.1Confident87.6Confident120 Ų12055.8 Ų55.864%0.64233%0.333SS*.Hα-helixtrans-51.5-31.1179.1-63.6-19.7000113.7S82 I86 I88S82-N84 PolarHBondContact O-N 3Å; N84-I86 PolarHBondContact O-N 2.93Å; N84-I88 WeakPolarHBondContact O-CB 3.25Å; N84-I88 WeakPolarHBondContact O-CD1 3.19Å; N84-I88 VanDerWaalsContact O-CG1 3.26Å; N84-I88 WeakPolarHBondContact O-CG1 3.42Å; N84-I88 PolarHBondContact O-N 2.88Å; N84-I88 VanDerWaalsContact O-N 3.1Å
85I89.4Confident88.6Confident18 Ų1852.9 Ų52.99%0.09231%0.309CS..Hα-helixtrans-61.5-34.1177.8-174.561.2000112.1N83 S89 W143 I147N83-I85 HydrophobicContact CB-CG2 4.03Å; N83-I85 PolarHBondContact O-N 3.43Å; I85-S89 WeakPolarHBondContact O-CB 3.4Å; I85-S89 PolarHBondContact O-N 3.44Å; I85-S89 PolarHBondContact O-OG 3.41Å; I85-W143 HydrophobicContact CD1-CB 4.18Å; I85-W143 HydrophobicContact CD1-CD2 4.17Å; I85-W143 HydrophobicContact CD1-CG 3.67Å; I85-I147 HydrophobicContact CB-CD1 3.96Å; I85-I147 HydrophobicContact CG1-CD1 3.91Å; I85-I147 HydrophobicContact CG2-CD1 3.97Å
86I89.8Confident89.5Confident2 Ų251 Ų511%0.0130%0.298CS..Hα-helixtrans-70-49.7-176.7-56-54.7000109.6Y80 N83 N84 I88 S89 Q90 Y144Y80-I86 HydrophobicContact CD2-CD1 4.26Å; Y80-I86 HydrophobicContact CD2-CG1 4.32Å; Y80-I86 HydrophobicContact CE1-CD1 4.15Å; Y80-I86 HydrophobicContact CE1-CG1 4.37Å; Y80-I86 HydrophobicContact CE2-CD1 3.5Å; Y80-I86 HydrophobicContact CE2-CG1 4.04Å; Y80-I86 VanDerWaalsContact CZ-CD1 3.44Å; Y80-I86 WeakPolarHBondContact O-CG1 3.29Å; Y80-I86 WeakPolarHBondContact OH-CD1 3.37Å; N83-I86 HydrophobicContact CB-CG1 4.18Å; N83-I86 WeakPolarHBondContact O-CB 3.48Å; N83-I86 PolarHBondContact O-N 3.34Å; N84-I86 PolarHBondContact O-N 2.93Å; I86-I88 PolarHBondContact O-N 2.92Å; I86-S89 PolarHBondContact O-N 3.41Å; I86-Q90 VanDerWaalsContact O-CG 3.31Å; I86-Q90 WeakPolarHBondContact O-CG 3.35Å; I86-Q90 PolarHBondContact O-N 2.99Å; I86-Y144 HydrophobicContact CD1-CD2 4.42Å; I86-Y144 HydrophobicContact CD1-CE2 3.8Å
87E91.7Very high90.4Very high140 Ų14046.5 Ų46.565%0.65427%0.269SS*.Hα-helixtrans-59.8-45.4177.1-172.7-178.5175.700111.9S89 Q90 G91E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 2.96Å; E87-Q90 WeakPolarHBondContact O-CB 3.21Å; E87-Q90 PolarHBondContact O-N 3.27Å; E87-G91 PolarHBondContact O-N 3.39Å; E87-G91 VanDerWaalsContact O-N 3.11Å
88I93.1Very high91.2Very high97 Ų9751.7 Ų51.750%0.49730%0.295SS..Hα-helixtrans-63.4-41.9177.5-67.1168.6000110.6N84 I86 G91 L92N84-I88 WeakPolarHBondContact O-CB 3.25Å; N84-I88 WeakPolarHBondContact O-CD1 3.19Å; N84-I88 VanDerWaalsContact O-CG1 3.26Å; N84-I88 WeakPolarHBondContact O-CG1 3.42Å; N84-I88 PolarHBondContact O-N 2.88Å; N84-I88 VanDerWaalsContact O-N 3.1Å; I86-I88 PolarHBondContact O-N 2.92Å; I88-G91 PolarHBondContact O-N 3.05Å; I88-L92 HydrophobicContact CG2-CD1 3.67Å; I88-L92 HydrophobicContact CG2-CG 4.24Å; I88-L92 WeakPolarHBondContact O-CB 3.21Å; I88-L92 VanDerWaalsContact O-CG 3.32Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 3.06Å
89S92.9Very high91.9Very high0 Ų049 Ų490%028%0.279CS..Hα-helixtrans-67.2-37.4179.6-59.10000112I85 I86 E87 L92 M93I85-S89 WeakPolarHBondContact O-CB 3.4Å; I85-S89 PolarHBondContact O-N 3.44Å; I85-S89 PolarHBondContact O-OG 3.41Å; I86-S89 PolarHBondContact O-N 3.41Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 2.96Å; S89-L92 PolarHBondContact O-N 3.01Å; S89-M93 WeakPolarHBondContact O-CB 3.43Å; S89-M93 WeakPolarHBondContact O-CG 3.32Å; S89-M93 PolarHBondContact O-N 3.2Å
90Q93.6Very high92.5Very high57 Ų5748 Ų4827%0.26627%0.271SS..Hα-helixtrans-56.6-51.9171.9-72.3173.2-8.800110.8I58 F59 I86 E87 L92 L94I58-Q90 HydrophobicContact CG2-CB 4.16Å; I58-Q90 HydrophobicContact CG2-CG 3.15Å; I58-Q90 PolarHBondContact O-NE2 3.32Å; F59-Q90 HydrophobicContact CD1-CG 4.38Å; F59-Q90 HydrophobicContact CE1-CB 4.07Å; F59-Q90 HydrophobicContact CE1-CG 3.74Å; F59-Q90 HydrophobicContact CE2-CG 4.3Å; F59-Q90 HydrophobicContact CZ-CB 3.81Å; F59-Q90 HydrophobicContact CZ-CG 3.65Å; I86-Q90 VanDerWaalsContact O-CG 3.31Å; I86-Q90 WeakPolarHBondContact O-CG 3.35Å; I86-Q90 PolarHBondContact O-N 2.99Å; E87-Q90 WeakPolarHBondContact O-CB 3.21Å; E87-Q90 PolarHBondContact O-N 3.27Å; Q90-L92 PolarHBondContact O-N 2.74Å; Q90-L94 WeakPolarHBondContact O-CD1 2.94Å; Q90-L94 PolarHBondContact O-N 3.17Å
91G95.1Very high93Very high44 Ų4452.6 Ų52.645%0.45430%0.295SS..Hα-helixtrans-60.6-46.5179.800000112.7E87 I88 A95E87-G91 PolarHBondContact O-N 3.39Å; E87-G91 VanDerWaalsContact O-N 3.11Å; I88-G91 PolarHBondContact O-N 3.05Å; G91-A95 WeakPolarHBondContact O-CB 3.28Å; G91-A95 PolarHBondContact O-N 2.95Å
92L95.3Very high93.6Very high42 Ų4251.2 Ų51.222%0.2229%0.29CS..Hα-helixtrans-66.8-41.7-178.6-71.3172.8000112.7I88 S89 Q90 A95 S96 L136 I139 P140I88-L92 HydrophobicContact CG2-CD1 3.67Å; I88-L92 HydrophobicContact CG2-CG 4.24Å; I88-L92 WeakPolarHBondContact O-CB 3.21Å; I88-L92 VanDerWaalsContact O-CG 3.32Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 3.06Å; S89-L92 PolarHBondContact O-N 3.01Å; Q90-L92 PolarHBondContact O-N 2.74Å; L92-A95 PolarHBondContact O-N 3.37Å; L92-S96 WeakPolarHBondContact O-CB 3.36Å; L92-S96 PolarHBondContact O-N 2.94Å; L92-L136 HydrophobicContact CD2-CD2 3.86Å; L92-I139 HydrophobicContact CD1-CG2 4.15Å; L92-P140 HydrophobicContact CB-CB 4.33Å; L92-P140 HydrophobicContact CB-CG 3.9Å; L92-P140 HydrophobicContact CD1-CB 4.16Å; L92-P140 HydrophobicContact CD1-CG 4.29Å
93M95.3Very high93.9Very high0 Ų047.4 Ų47.40%026%0.263CS..Hα-helixtrans-66.9-44.2178.2-69.1-65.5-66.500111.6T33 T34 W39 I58 S89 S96 L97 T137 P140 V141T33-M93 HydrophobicContact CG2-CE 3.78Å; T34-M93 HydrophobicContact CG2-CB 4.15Å; T34-M93 WeakPolarHBondContact OG1-CE 3.47Å; W39-M93 HydrophobicContact CH2-CG 4.4Å; W39-M93 HydrophobicContact CH2-SD 4.37Å; W39-M93 HydrophobicContact CZ2-CE 4.28Å; W39-M93 HydrophobicContact CZ2-CG 4.41Å; W39-M93 HydrophobicContact CZ2-SD 4.44Å; I58-M93 HydrophobicContact CD1-CG 4.44Å; S89-M93 WeakPolarHBondContact O-CB 3.43Å; S89-M93 WeakPolarHBondContact O-CG 3.32Å; S89-M93 PolarHBondContact O-N 3.2Å; M93-S96 PolarHBondContact O-N 3.39Å; M93-L97 PolarHBondContact O-N 2.94Å; M93-L97 VanDerWaalsContact O-N 3.07Å; M93-T137 HydrophobicContact CE-CG2 4.44Å; M93-T137 HydrophobicContact SD-CG2 4.24Å; M93-P140 HydrophobicContact CG-CG 4.22Å; M93-P140 HydrophobicContact SD-CG 3.96Å; M93-V141 HydrophobicContact SD-CG2 4.4Å
94L96.2Very high94.1Very high79 Ų7947.4 Ų47.441%0.41426%0.262SS..Hα-helixtrans-63.5-44.9174.6-93.984.8000111.9T34 F59 Q90 S96 L97 I98T34-L94 HydrophobicContact CG2-CD1 4.42Å; F59-L94 HydrophobicContact CE1-CD1 3.89Å; F59-L94 HydrophobicContact CE2-CD1 4.03Å; F59-L94 HydrophobicContact CZ-CD1 3.19Å; Q90-L94 WeakPolarHBondContact O-CD1 2.94Å; Q90-L94 PolarHBondContact O-N 3.17Å; L94-S96 VanDerWaalsContact C-N 3.3Å; L94-S96 PolarHBondContact O-N 3.42Å; L94-L97 PolarHBondContact O-N 3.02Å; L94-I98 WeakPolarHBondContact O-CG1 3.3Å; L94-I98 PolarHBondContact O-N 3.3Å; L94-I98 VanDerWaalsContact O-N 3.08Å
95A96.5Very high94.2Very high40 Ų4044.2 Ų44.233%0.33125%0.253SS..Hα-helixtrans-59.5-44.2178.300000110.9G91 L92 L97 I98 V99G91-A95 WeakPolarHBondContact O-CB 3.28Å; G91-A95 PolarHBondContact O-N 2.95Å; L92-A95 PolarHBondContact O-N 3.37Å; A95-L97 PolarHBondContact O-N 3.34Å; A95-I98 PolarHBondContact O-N 3.25Å; A95-V99 WeakPolarHBondContact O-CB 3.48Å; A95-V99 WeakPolarHBondContact O-CG2 3.5Å; A95-V99 PolarHBondContact O-N 3.37Å
96S96.6Very high94.1Very high0 Ų047.1 Ų47.10%027%0.265CS..Hα-helixtrans-58.7-47.9175.7176.10000112.3L92 M93 L94 I98 V99 N100 A133 T137L92-S96 WeakPolarHBondContact O-CB 3.36Å; L92-S96 PolarHBondContact O-N 2.94Å; M93-S96 PolarHBondContact O-N 3.39Å; L94-S96 VanDerWaalsContact C-N 3.3Å; L94-S96 PolarHBondContact O-N 3.42Å; S96-I98 VanDerWaalsContact C-N 3.3Å; S96-I98 PolarHBondContact O-N 3.42Å; S96-V99 PolarHBondContact O-N 2.89Å; S96-N100 WeakPolarHBondContact O-CB 3.38Å; S96-N100 PolarHBondContact O-N 2.85Å; S96-A133 PolarHBondContact OG-O 3.29Å; S96-T137 WeakPolarHBondContact OG-CG2 3.41Å
97L96.4Very high93.8Very high20 Ų2047 Ų4711%0.10527%0.265CS..Hα-helixtrans-57.4-42.7178.6-78.5170.5000112.6W27 L31 T34 M93 L94 A95 L101W27-L97 HydrophobicContact CD2-CD2 4.49Å; W27-L97 HydrophobicContact CG-CD2 4.45Å; W27-L97 HydrophobicContact CZ2-CD2 4.48Å; W27-L97 PolarHBondContact NE1-O 3Å; W27-L97 VanDerWaalsContact NE1-O 3.1Å; L31-L97 HydrophobicContact CB-CD2 3.92Å; L31-L97 HydrophobicContact CD1-CD1 3.91Å; L31-L97 HydrophobicContact CD1-CD2 4.2Å; T34-L97 HydrophobicContact CG2-CD1 4.13Å; M93-L97 PolarHBondContact O-N 2.94Å; M93-L97 VanDerWaalsContact O-N 3.07Å; L94-L97 PolarHBondContact O-N 3.02Å; A95-L97 PolarHBondContact O-N 3.34Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 PolarHBondContact O-N 3.47Å; L97-L101 VanDerWaalsContact O-N 3.12Å
98I97.3Very high93.2Very high108 Ų10844.3 Ų44.355%0.55425%0.254SS*.Hα-helixtrans-68.5-48.4178.5-64.7167000110.2L94 A95 S96 N100 L101 V102L94-I98 WeakPolarHBondContact O-CG1 3.3Å; L94-I98 PolarHBondContact O-N 3.3Å; L94-I98 VanDerWaalsContact O-N 3.08Å; A95-I98 PolarHBondContact O-N 3.25Å; S96-I98 VanDerWaalsContact C-N 3.3Å; S96-I98 PolarHBondContact O-N 3.42Å; I98-N100 VanDerWaalsContact C-N 3.34Å; I98-N100 PolarHBondContact O-N 3.25Å; I98-L101 PolarHBondContact O-N 3.47Å; I98-V102 HydrophobicContact CG2-CG2 4.44Å; I98-V102 VanDerWaalsContact O-CG2 3.3Å; I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.38Å
99V96.8Very high92.2Very high38 Ų3842.8 Ų42.823%0.2325%0.25CC..Hα-helixtrans-61.9-41.5-178.51720000111.2A95 S96 V102 G103 L129 A133A95-V99 WeakPolarHBondContact O-CB 3.48Å; A95-V99 WeakPolarHBondContact O-CG2 3.5Å; A95-V99 PolarHBondContact O-N 3.37Å; S96-V99 PolarHBondContact O-N 2.89Å; V99-V102 PolarHBondContact O-N 3.11Å; V99-G103 PolarHBondContact O-N 3.46Å; V99-L129 HydrophobicContact CG1-CB 4.29Å; V99-L129 HydrophobicContact CG1-CD2 4.18Å; V99-L129 WeakPolarHBondContact CG1-O 3.32Å; V99-A133 HydrophobicContact CB-CB 4.27Å; V99-A133 HydrophobicContact CG1-CB 4.08Å
100N96.1Very high90.8Very high0 Ų043.6 Ų43.60%026%0.259CS..Hα-helixtrans-65.2-45.7176.4-170.2-7.6000111.1S96 I98 V102 G103 I104 A133 E176S96-N100 WeakPolarHBondContact O-CB 3.38Å; S96-N100 PolarHBondContact O-N 2.85Å; I98-N100 VanDerWaalsContact C-N 3.34Å; I98-N100 PolarHBondContact O-N 3.25Å; N100-V102 VanDerWaalsContact C-N 3.29Å; N100-V102 PolarHBondContact O-N 3.01Å; N100-G103 CarbonylContact O-C 3.06Å; N100-G103 WeakPolarHBondContact O-CA 3.4Å; N100-G103 PolarHBondContact O-N 3.12Å; N100-I104 WeakPolarHBondContact O-CG1 3.48Å; N100-I104 PolarHBondContact O-N 2.84Å; N100-I104 WeakPolarHBondContact OD1-CD1 3.37Å; N100-A133 HydrophobicContact CB-CB 3.56Å; N100-E176 WeakPolarHBondContact ND2-CG 3.47Å; N100-E176 PolarHBondContact ND2-OE1 3.39Å
101L95.4Very high89.3Confident96 Ų9643 Ų4350%0.50326%0.258SS..Hα-helixtrans-58.3-43.6177.4-168.8155.8000111.4W27 L97 I98 I104 A105W27-L101 HydrophobicContact CZ2-CD1 4.11Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 PolarHBondContact O-N 3.47Å; L97-L101 VanDerWaalsContact O-N 3.12Å; I98-L101 PolarHBondContact O-N 3.47Å; L101-I104 PolarHBondContact O-N 3.33Å; L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 2.99Å
102V95.1Very high87.7Confident57 Ų5749.7 Ų49.735%0.34527%0.27SS..Hα-helixtrans-62-44.8173.3174.30000110.6I98 V99 N100 I104 A105 F106 L129I98-V102 HydrophobicContact CG2-CG2 4.44Å; I98-V102 VanDerWaalsContact O-CG2 3.3Å; I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.38Å; V99-V102 PolarHBondContact O-N 3.11Å; N100-V102 VanDerWaalsContact C-N 3.29Å; N100-V102 PolarHBondContact O-N 3.01Å; V102-I104 PolarHBondContact O-N 3.49Å; V102-A105 WeakPolarHBondContact O-CB 3.02Å; V102-A105 PolarHBondContact O-N 3.33Å; V102-A105 VanDerWaalsContact O-N 3.14Å; V102-F106 HydrophobicContact CG1-CD2 3.7Å; V102-F106 HydrophobicContact CG1-CE2 3.48Å; V102-F106 VanDerWaalsContact CG1-CE2 3.48Å; V102-F106 WeakPolarHBondContact O-CD2 3.18Å; V102-F106 PolarHBondContact O-N 3.01Å; V102-L129 HydrophobicContact CG1-CD1 4.11Å
103G93.4Very high85.6Confident0 Ų049.8 Ų49.80%027%0.274CS..Hα-helixtrans-57.7-44.5175.700000113.5V99 N100 F106 A107V99-G103 PolarHBondContact O-N 3.46Å; N100-G103 CarbonylContact O-C 3.06Å; N100-G103 WeakPolarHBondContact O-CA 3.4Å; N100-G103 PolarHBondContact O-N 3.12Å; G103-F106 PolarHBondContact O-N 3.49Å; G103-A107 PolarHBondContact O-N 3.47Å
104I92.1Very high83.3Confident38 Ų3861.4 Ų61.420%0.19532%0.318CS..Hα-helixtrans-62.8-42.7173.9-66.2168.8000110.3A23 P24 W27 N100 L101 V102 F106 A107 I108 I130A23-I104 HydrophobicContact CB-CD1 4.46Å; A23-I104 HydrophobicContact CB-CG1 4.2Å; P24-I104 HydrophobicContact CB-CD1 4.5Å; W27-I104 HydrophobicContact CB-CD1 4.43Å; N100-I104 WeakPolarHBondContact O-CG1 3.48Å; N100-I104 PolarHBondContact O-N 2.84Å; N100-I104 WeakPolarHBondContact OD1-CD1 3.37Å; L101-I104 PolarHBondContact O-N 3.33Å; V102-I104 PolarHBondContact O-N 3.49Å; I104-F106 VanDerWaalsContact C-N 3.28Å; I104-F106 PolarHBondContact O-N 2.99Å; I104-A107 WeakPolarHBondContact O-CB 3.37Å; I104-A107 PolarHBondContact O-N 2.74Å; I104-I108 HydrophobicContact CG2-CD1 4.43Å; I104-I108 WeakPolarHBondContact O-CG1 3.17Å; I104-I108 PolarHBondContact O-N 3.47Å; I104-I130 HydrophobicContact CG1-CD1 4.38Å
105A90.1Very high81.1Confident53 Ų5365.6 Ų65.644%0.43833%0.333SS..Hα-helixtrans-60.7-36.9176.900000112.4L101 V102 P109L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 2.99Å; V102-A105 WeakPolarHBondContact O-CB 3.02Å; V102-A105 PolarHBondContact O-N 3.33Å; V102-A105 VanDerWaalsContact O-N 3.14Å; A105-P109 WeakPolarHBondContact O-CD 3.4Å
106F87.6Confident78.9Confident78 Ų7871.2 Ų71.234%0.34236%0.357SS..Hα-helixtrans-71.9-30.3172.2-80.9-73.3000113.3V102 G103 I104 P109 L122 L129V102-F106 HydrophobicContact CG1-CD2 3.7Å; V102-F106 HydrophobicContact CG1-CE2 3.48Å; V102-F106 VanDerWaalsContact CG1-CE2 3.48Å; V102-F106 WeakPolarHBondContact O-CD2 3.18Å; V102-F106 PolarHBondContact O-N 3.01Å; G103-F106 PolarHBondContact O-N 3.49Å; I104-F106 VanDerWaalsContact C-N 3.28Å; I104-F106 PolarHBondContact O-N 2.99Å; F106-P109 WeakPolarHBondContact O-CD 3.47Å; F106-P109 WeakPolarHBondContact O-CG 3.32Å; F106-L122 HydrophobicContact CD1-CB 4.41Å; F106-L122 HydrophobicContact CD1-CD2 4.26Å; F106-L122 HydrophobicContact CD1-CG 3.98Å; F106-L122 HydrophobicContact CE1-CG 4.38Å; F106-L129 HydrophobicContact CD2-CD1 3.79Å; F106-L129 HydrophobicContact CE2-CD1 4.19Å
107A83.3Confident76.7Confident1 Ų179 Ų791%0.00839%0.394CS..Hα-helixtrans-69.3-41.4177.700000113.1M20 G103 I104 G110 V111 M183M20-A107 HydrophobicContact SD-CB 3.91Å; G103-A107 PolarHBondContact O-N 3.47Å; I104-A107 WeakPolarHBondContact O-CB 3.37Å; I104-A107 PolarHBondContact O-N 2.74Å; A107-G110 WeakPolarHBondContact O-CA 3.29Å; A107-G110 PolarHBondContact O-N 2.88Å; A107-V111 VanDerWaalsContact O-CG2 3.3Å; A107-V111 WeakPolarHBondContact O-CG2 3.42Å; A107-V111 PolarHBondContact O-N 3.04Å; A107-V111 VanDerWaalsContact O-N 3.09Å; A107-M183 HydrophobicContact CB-CE 3.44Å; A107-M183 VanDerWaalsContact CB-CE 3.44Å
108I79.8Confident74.8Confident83 Ų8380 Ų8043%0.42640%0.401SS..Hα-helixtrans-50-52.5-178.3-66.3164000113.5I104 G110I104-I108 HydrophobicContact CG2-CD1 4.43Å; I104-I108 WeakPolarHBondContact O-CG1 3.17Å; I104-I108 PolarHBondContact O-N 3.47Å; I108-G110 VanDerWaalsContact C-N 3.28Å; I108-G110 PolarHBondContact O-N 3.46Å
109P70.6Confident73.3Confident64 Ų6484 Ų8442%0.41641%0.409SS..Hα-helixtrans-69.9-24.3176.227.4-33.9000113A105 F106 L122A105-P109 WeakPolarHBondContact O-CD 3.4Å; F106-P109 WeakPolarHBondContact O-CD 3.47Å; F106-P109 WeakPolarHBondContact O-CG 3.32Å; P109-L122 HydrophobicContact CG-CD2 4.49Å
110G64Low71.9Confident18 Ų1884.7 Ų84.719%0.18641%0.408CS..Hα-helixtrans-68.1-34.5176.900000113.8A107 I108A107-G110 WeakPolarHBondContact O-CA 3.29Å; A107-G110 PolarHBondContact O-N 2.88Å; I108-G110 VanDerWaalsContact C-N 3.28Å; I108-G110 PolarHBondContact O-N 3.46Å
111V62Low70.9Confident43 Ų4387 Ų8726%0.26143%0.431SS..Hα-helixtrans-87.8-13.2-179.3-156.70000112.9T12 M20 A107 C113T12-V111 HydrophobicContact CG2-CG1 4.26Å; M20-V111 HydrophobicContact CE-CB 4.4Å; M20-V111 HydrophobicContact CE-CG2 3.64Å; M20-V111 HydrophobicContact CG-CG2 3.92Å; M20-V111 HydrophobicContact SD-CG2 3.47Å; M20-V111 WeakPolarHBondContact SD-CG2 3.42Å; A107-V111 VanDerWaalsContact O-CG2 3.3Å; A107-V111 WeakPolarHBondContact O-CG2 3.42Å; A107-V111 PolarHBondContact O-N 3.04Å; A107-V111 VanDerWaalsContact O-N 3.09Å; V111-C113 PolarHBondContact O-N 3.15Å
112R60.8Low70.2Confident185 Ų18585 Ų8570%0.69842%0.421SS*.  trans-67.582.1173.4-81.8179.2170.5167.9-2.5110.5W114R112-W114 PolarHBondContact O-N 2.84Å
113C52.7Low69.5Low44 Ų4482.3 Ų82.330%0.29741%0.405SS..THydrogen-bonded Turntrans-736.9-174.2-149.20000114.6R7 V111 R196R7-C113 PolarHBondContact NH1-O 3.21Å; V111-C113 PolarHBondContact O-N 3.15Å; C113-R196 PolarHBondContact SG-NH2 3.48Å
114W46.8Very low69.1Low244 Ų24483.7 Ų83.792%0.92441%0.413SS*.THydrogen-bonded Turntrans-100.5-3.2-175.9-82.458.6000114.4R112R112-W114 PolarHBondContact O-N 2.84Å
115K49.6Very low69Low168 Ų16885.2 Ų85.273%0.7342%0.424SS*.SBendtrans-95.5131.8176-137.3170.2-175.1175.30109.7Q117K115-Q117 PolarHBondContact O-N 3.37Å
116D49.4Very low69.1Low157 Ų15782.7 Ų82.784%0.8440%0.403SS*.SBendtrans-59.7-13-174.2-65.1-49.7000115
117Q51.5Low69.3Low165 Ų16579 Ų7977%0.77139%0.387SS*.SBendtrans-126.885.2177.9-71.4-88.7-30.400109.9K115 R119K115-Q117 PolarHBondContact O-N 3.37Å; Q117-R119 PolarHBondContact O-N 3.21Å
118P56.9Low69.8Low41 Ų4182.9 Ų82.927%0.26641%0.407SS..  trans-64.9116.9174.525.8-33.8000110.2W120P118-W120 HydrophobicContact CB-CD2 4.06Å; P118-W120 HydrophobicContact CB-CG 4.48Å; P118-W120 HydrophobicContact CB-CZ2 4.02Å; P118-W120 HydrophobicContact CG-CD2 4.43Å; P118-W120 HydrophobicContact CG-CZ2 3.91Å; P118-W120 VanDerWaalsContact O-CD1 3.27Å; P118-W120 PolarHBondContact O-N 3.5Å
119R65.4Low70.6Confident191 Ų19181 Ų8172%0.72140%0.398SS*.  trans-79.273.8174.1-68.4-174.5175-178.4-2.6110.2Q117 G121 L122Q117-R119 PolarHBondContact O-N 3.21Å; R119-G121 PolarHBondContact O-N 3.09Å; R119-L122 HydrophobicContact CB-CB 4.48Å; R119-L122 HydrophobicContact CB-CD1 4.13Å; R119-L122 WeakPolarHBondContact O-CB 3.09Å; R119-L122 PolarHBondContact O-N 3.07Å
120W67.7Low71.8Confident52 Ų5278 Ų7820%0.19738%0.378CS..Hα-helixtrans-56.3-34.1-176-61.2114.4000114.7P118 L122 C123 T124 C190 C191P118-W120 HydrophobicContact CB-CD2 4.06Å; P118-W120 HydrophobicContact CB-CG 4.48Å; P118-W120 HydrophobicContact CB-CZ2 4.02Å; P118-W120 HydrophobicContact CG-CD2 4.43Å; P118-W120 HydrophobicContact CG-CZ2 3.91Å; P118-W120 VanDerWaalsContact O-CD1 3.27Å; P118-W120 PolarHBondContact O-N 3.5Å; W120-L122 PolarHBondContact O-N 3.08Å; W120-C123 WeakPolarHBondContact O-CB 3.19Å; W120-C123 PolarHBondContact O-N 3.32Å; W120-C123 VanDerWaalsContact O-N 3.08Å; W120-T124 PolarHBondContact O-N 2.74Å; W120-T124 PolarHBondContact O-OG1 2.96Å; W120-C190 HydrophobicContact CE3-CB 4.18Å; W120-C190 HydrophobicContact CH2-CB 3.37Å; W120-C190 HydrophobicContact CZ2-CB 4.05Å; W120-C190 HydrophobicContact CZ3-CB 3.47Å; W120-C190 VanDerWaalsContact CZ3-CB 3.47Å; W120-C191 WeakPolarHBondContact CB-SG 3.01Å
121G74Confident73.4Confident48 Ų4880.7 Ų80.750%0.49539%0.385SS..Hα-helixtrans-55.7-38.217500000112.6R119 T124 V125R119-G121 PolarHBondContact O-N 3.09Å; G121-T124 PolarHBondContact O-N 3.37Å; G121-V125 WeakPolarHBondContact O-CB 3.36Å; G121-V125 WeakPolarHBondContact O-CG2 3.49Å; G121-V125 PolarHBondContact O-N 3.12Å
122L81.3Confident75Confident54 Ų5481.1 Ų81.128%0.28339%0.389SS..Hα-helixtrans-67.9-37.1177.8-87.665.7000111.9F106 P109 R119 W120 G126F106-L122 HydrophobicContact CD1-CB 4.41Å; F106-L122 HydrophobicContact CD1-CD2 4.26Å; F106-L122 HydrophobicContact CD1-CG 3.98Å; F106-L122 HydrophobicContact CE1-CG 4.38Å; P109-L122 HydrophobicContact CG-CD2 4.49Å; R119-L122 HydrophobicContact CB-CB 4.48Å; R119-L122 HydrophobicContact CB-CD1 4.13Å; R119-L122 WeakPolarHBondContact O-CB 3.09Å; R119-L122 PolarHBondContact O-N 3.07Å; W120-L122 PolarHBondContact O-N 3.08Å; L122-G126 PolarHBondContact O-N 2.92Å
123C81.1Confident76.8Confident2 Ų272.3 Ų72.31%0.01436%0.356CS..Hα-helixtrans-65.2-46175.6178.30000111.4W120 G126 G127 C187W120-C123 WeakPolarHBondContact O-CB 3.19Å; W120-C123 PolarHBondContact O-N 3.32Å; W120-C123 VanDerWaalsContact O-N 3.08Å; C123-G126 PolarHBondContact O-N 2.7Å; C123-G127 PolarHBondContact O-N 3.44Å; C123-C187 HydrophobicContact CB-CB 3.87Å; C123-C187 WeakPolarHBondContact CB-SG 3.36Å; C123-C187 WeakPolarHBondContact SG-CB 3.31Å; C123-C187 CovalentContact SG-SG 2.03Å; C123-C187 PolarHBondContact SG-SG 3.04Å
124T84.2Confident78.9Confident28 Ų2870.2 Ų70.217%0.17234%0.342CS..Hα-helixtrans-64.1-43179.1-54.60000111.3W120 G121 G127 I128W120-T124 PolarHBondContact O-N 2.74Å; W120-T124 PolarHBondContact O-OG1 2.96Å; G121-T124 PolarHBondContact O-N 3.37Å; T124-G127 PolarHBondContact O-N 2.85Å; T124-I128 HydrophobicContact CG2-CD1 4.07Å; T124-I128 VanDerWaalsContact O-CG1 3.3Å; T124-I128 WeakPolarHBondContact O-CG1 3.37Å; T124-I128 PolarHBondContact O-N 2.8Å
125V90.2Very high81.3Confident70 Ų7061.2 Ų61.242%0.42431%0.313SS..Hα-helixtrans-61.3-44.6174.3170.50000110.7G121 G127 I128 L129G121-V125 WeakPolarHBondContact O-CB 3.36Å; G121-V125 WeakPolarHBondContact O-CG2 3.49Å; G121-V125 PolarHBondContact O-N 3.12Å; V125-G127 PolarHBondContact O-N 3.4Å; V125-I128 PolarHBondContact O-N 2.95Å; V125-L129 HydrophobicContact CG1-CD1 3.94Å; V125-L129 HydrophobicContact CG1-CG 4.32Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.5Å; V125-L129 PolarHBondContact O-N 3.01Å
126G91.4Very high83.5Confident0 Ų055.4 Ų55.40%029%0.29CS..Hα-helixtrans-57.5-46.3175.400000112.8L122 C123 I128 L129 I130L122-G126 PolarHBondContact O-N 2.92Å; C123-G126 PolarHBondContact O-N 2.7Å; G126-I128 PolarHBondContact O-N 3.27Å; G126-L129 PolarHBondContact O-N 3.06Å; G126-I130 VanDerWaalsContact O-CG1 3.27Å; G126-I130 WeakPolarHBondContact O-CG1 3.39Å; G126-I130 PolarHBondContact O-N 2.9Å
127G92.3Very high85.8Confident0 Ų048 Ų480%025%0.25CS..Hα-helixtrans-62.4-40.6176.200000113.4C123 T124 V125 I130 F131 G180 S184C123-G127 PolarHBondContact O-N 3.44Å; T124-G127 PolarHBondContact O-N 2.85Å; V125-G127 PolarHBondContact O-N 3.4Å; G127-I130 PolarHBondContact O-N 3.45Å; G127-F131 WeakPolarHBondContact O-CB 3Å; G127-F131 PolarHBondContact O-N 3.03Å; G127-G180 WeakPolarHBondContact O-CA 3.19Å; G127-S184 VanDerWaalsContact C-OG 3.22Å; G127-S184 WeakPolarHBondContact CA-OG 3.46Å
128I94.4Very high87.9Confident83 Ų8342 Ų4243%0.42622%0.224SC..Hα-helixtrans-65-42.8176-67.2165.4000110.7T124 V125 G126 F131 C132 S184T124-I128 HydrophobicContact CG2-CD1 4.07Å; T124-I128 VanDerWaalsContact O-CG1 3.3Å; T124-I128 WeakPolarHBondContact O-CG1 3.37Å; T124-I128 PolarHBondContact O-N 2.8Å; V125-I128 PolarHBondContact O-N 2.95Å; G126-I128 PolarHBondContact O-N 3.27Å; I128-F131 WeakPolarHBondContact O-CB 3.38Å; I128-F131 PolarHBondContact O-N 3.35Å; I128-C132 WeakPolarHBondContact O-CB 3.28Å; I128-C132 PolarHBondContact O-N 3.38Å; I128-C132 PolarHBondContact O-SG 3.21Å; I128-S184 PolarHBondContact N-OG 2.67Å
129L96.2Very high89.8Confident45 Ų4543.5 Ų43.524%0.23623%0.229CC..Hα-helixtrans-62.2-44.5177.3-70.7171.6000111.7V99 V102 F106 V125 G126 F131 C132 A133V99-L129 HydrophobicContact CG1-CB 4.29Å; V99-L129 HydrophobicContact CG1-CD2 4.18Å; V99-L129 WeakPolarHBondContact CG1-O 3.32Å; V102-L129 HydrophobicContact CG1-CD1 4.11Å; F106-L129 HydrophobicContact CD2-CD1 3.79Å; F106-L129 HydrophobicContact CE2-CD1 4.19Å; V125-L129 HydrophobicContact CG1-CD1 3.94Å; V125-L129 HydrophobicContact CG1-CG 4.32Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.5Å; V125-L129 PolarHBondContact O-N 3.01Å; G126-L129 PolarHBondContact O-N 3.06Å; L129-F131 VanDerWaalsContact C-N 3.33Å; L129-F131 PolarHBondContact O-N 2.97Å; L129-C132 PolarHBondContact O-N 3.11Å; L129-A133 PolarHBondContact O-N 2.99Å
130I95.9Very high91.2Very high1 Ų134.5 Ų34.51%0.00520%0.195CC..Hα-helixtrans-61.9-41.9176.2-65.2164.3000110.6A23 I104 G126 G127 A133 G134 E176 M183A23-I130 HydrophobicContact CB-CD1 3.92Å; A23-I130 HydrophobicContact CB-CG2 4Å; I104-I130 HydrophobicContact CG1-CD1 4.38Å; G126-I130 VanDerWaalsContact O-CG1 3.27Å; G126-I130 WeakPolarHBondContact O-CG1 3.39Å; G126-I130 PolarHBondContact O-N 2.9Å; G127-I130 PolarHBondContact O-N 3.45Å; I130-A133 PolarHBondContact O-N 2.9Å; I130-G134 PolarHBondContact O-N 3.4Å; I130-G134 VanDerWaalsContact O-N 3.08Å; I130-E176 HydrophobicContact CG2-CB 4.48Å; I130-E176 WeakPolarHBondContact CG2-O 3.34Å; I130-M183 HydrophobicContact CD1-CE 4.17Å; I130-M183 HydrophobicContact CD1-SD 3.99Å
131F96.9Very high92.5Very high73 Ų7332 Ų3232%0.3219%0.186SC..Hα-helixtrans-61.4-47.5174.9170.7-98.6000112.1G127 I128 L129 A133 G134 V135 V177 I181G127-F131 WeakPolarHBondContact O-CB 3Å; G127-F131 PolarHBondContact O-N 3.03Å; I128-F131 WeakPolarHBondContact O-CB 3.38Å; I128-F131 PolarHBondContact O-N 3.35Å; L129-F131 VanDerWaalsContact C-N 3.33Å; L129-F131 PolarHBondContact O-N 2.97Å; F131-A133 VanDerWaalsContact C-N 3.28Å; F131-A133 PolarHBondContact O-N 3.44Å; F131-G134 PolarHBondContact O-N 3.15Å; F131-V135 HydrophobicContact CE1-CG2 4.03Å; F131-V135 HydrophobicContact CE2-CG2 4.22Å; F131-V135 HydrophobicContact CZ-CG2 3.87Å; F131-V135 PolarHBondContact O-N 2.97Å; F131-V177 HydrophobicContact CD2-CB 4.36Å; F131-V177 HydrophobicContact CD2-CG1 3.94Å; F131-V177 HydrophobicContact CD2-CG2 4.34Å; F131-V177 HydrophobicContact CE2-CG1 3.81Å; F131-V177 HydrophobicContact CE2-CG2 4.42Å; F131-I181 HydrophobicContact CD2-CD1 4.02Å; F131-I181 HydrophobicContact CD2-CG1 3.63Å; F131-I181 HydrophobicContact CE2-CD1 3.86Å; F131-I181 HydrophobicContact CE2-CG1 3.91Å
132C97.3Very high93.5Very high52 Ų5232.3 Ų32.335%0.35118%0.18SC..Hα-helixtrans-60.2-39.6177-70.70000111.6I128 L129 G134 V135 L136I128-C132 WeakPolarHBondContact O-CB 3.28Å; I128-C132 PolarHBondContact O-N 3.38Å; I128-C132 PolarHBondContact O-SG 3.21Å; L129-C132 PolarHBondContact O-N 3.11Å; C132-G134 PolarHBondContact O-N 2.98Å; C132-V135 PolarHBondContact O-N 3.27Å; C132-L136 WeakPolarHBondContact O-CB 3.45Å; C132-L136 VanDerWaalsContact O-CG 3.28Å; C132-L136 WeakPolarHBondContact O-CG 3.45Å; C132-L136 PolarHBondContact O-N 3.03Å
133A97.4Very high94.1Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-61-43.6175.500000112.4S96 V99 N100 L129 I130 F131 V135 L136 T137S96-A133 PolarHBondContact OG-O 3.29Å; V99-A133 HydrophobicContact CB-CB 4.27Å; V99-A133 HydrophobicContact CG1-CB 4.08Å; N100-A133 HydrophobicContact CB-CB 3.56Å; L129-A133 PolarHBondContact O-N 2.99Å; I130-A133 PolarHBondContact O-N 2.9Å; F131-A133 VanDerWaalsContact C-N 3.28Å; F131-A133 PolarHBondContact O-N 3.44Å; A133-V135 VanDerWaalsContact C-N 3.31Å; A133-V135 PolarHBondContact O-N 3.41Å; A133-L136 CarbonylContact O-C 3.51Å; A133-L136 WeakPolarHBondContact O-CB 3.18Å; A133-L136 PolarHBondContact O-N 2.81Å; A133-L136 VanDerWaalsContact O-N 3.12Å; A133-T137 PolarHBondContact O-N 2.79Å; A133-T137 PolarHBondContact O-OG1 2.84Å
134G97Very high94.6Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-63.2-35175.500000113.5I130 F131 C132 T137 L138 E176I130-G134 PolarHBondContact O-N 3.4Å; I130-G134 VanDerWaalsContact O-N 3.08Å; F131-G134 PolarHBondContact O-N 3.15Å; C132-G134 PolarHBondContact O-N 2.98Å; G134-T137 WeakPolarHBondContact CA-OG1 3.16Å; G134-T137 PolarHBondContact O-OG1 3.07Å; G134-L138 VanDerWaalsContact O-CG 3.25Å; G134-L138 WeakPolarHBondContact O-CG 3.47Å; G134-L138 PolarHBondContact O-N 3.37Å; G134-L138 VanDerWaalsContact O-N 3.15Å; G134-E176 WeakPolarHBondContact CA-OE2 3.02Å; G134-E176 PolarHBondContact N-OE2 3.4Å
135V97.6Very high95Very high55 Ų5538 Ų3833%0.33320%0.201SC..Hα-helixtrans-68.5-41.9172.5175.80000110.8F131 C132 A133 T137 L138 I139 V177F131-V135 HydrophobicContact CE1-CG2 4.03Å; F131-V135 HydrophobicContact CE2-CG2 4.22Å; F131-V135 HydrophobicContact CZ-CG2 3.87Å; F131-V135 PolarHBondContact O-N 2.97Å; C132-V135 PolarHBondContact O-N 3.27Å; A133-V135 VanDerWaalsContact C-N 3.31Å; A133-V135 PolarHBondContact O-N 3.41Å; V135-T137 VanDerWaalsContact C-N 3.28Å; V135-T137 PolarHBondContact O-N 3.13Å; V135-L138 PolarHBondContact O-N 2.79Å; V135-I139 HydrophobicContact CG1-CD1 3.81Å; V135-I139 HydrophobicContact CG1-CG1 4.27Å; V135-I139 VanDerWaalsContact O-CG1 3.28Å; V135-I139 WeakPolarHBondContact O-CG1 3.2Å; V135-I139 PolarHBondContact O-N 3.5Å; V135-V177 HydrophobicContact CG2-CG2 4.24Å
136L96.4Very high95.1Very high46 Ų4642.3 Ų42.324%0.24122%0.216CC..Hα-helixtrans-65.2-26.4177.9-71.4170.1000113.5L92 C132 A133 P140L92-L136 HydrophobicContact CD2-CD2 3.86Å; C132-L136 WeakPolarHBondContact O-CB 3.45Å; C132-L136 VanDerWaalsContact O-CG 3.28Å; C132-L136 WeakPolarHBondContact O-CG 3.45Å; C132-L136 PolarHBondContact O-N 3.03Å; A133-L136 CarbonylContact O-C 3.51Å; A133-L136 WeakPolarHBondContact O-CB 3.18Å; A133-L136 PolarHBondContact O-N 2.81Å; A133-L136 VanDerWaalsContact O-N 3.12Å; L136-P140 WeakPolarHBondContact O-CD 3.34Å; L136-P140 WeakPolarHBondContact O-CG 3.02Å
137T96.3Very high95.1Very high1 Ų144.2 Ų44.21%0.00623%0.225CC..Hα-helixtrans-78.1-39.8170.245.70000112.3S30 M93 S96 A133 G134 V135 P140 V141 G173S30-T137 WeakPolarHBondContact OG-CG2 3.46Å; M93-T137 HydrophobicContact CE-CG2 4.44Å; M93-T137 HydrophobicContact SD-CG2 4.24Å; S96-T137 WeakPolarHBondContact OG-CG2 3.41Å; A133-T137 PolarHBondContact O-N 2.79Å; A133-T137 PolarHBondContact O-OG1 2.84Å; G134-T137 WeakPolarHBondContact CA-OG1 3.16Å; G134-T137 PolarHBondContact O-OG1 3.07Å; V135-T137 VanDerWaalsContact C-N 3.28Å; V135-T137 PolarHBondContact O-N 3.13Å; T137-P140 VanDerWaalsContact O-CD 3.32Å; T137-P140 WeakPolarHBondContact O-CD 3.46Å; T137-P140 WeakPolarHBondContact O-CG 3.19Å; T137-V141 WeakPolarHBondContact O-CG2 3.4Å; T137-V141 PolarHBondContact O-N 3.32Å; T137-G173 VanDerWaalsContact OG1-CA 3.29Å; T137-G173 WeakPolarHBondContact OG1-CA 3.47Å
138L96.9Very high94.9Very high40 Ų4045.3 Ų45.321%0.20923%0.231CC..Hα-helixtrans-69.8-33.5-178.3-71173.6000113.6G134 V135 S142 F170 V177G134-L138 VanDerWaalsContact O-CG 3.25Å; G134-L138 WeakPolarHBondContact O-CG 3.47Å; G134-L138 PolarHBondContact O-N 3.37Å; G134-L138 VanDerWaalsContact O-N 3.15Å; V135-L138 PolarHBondContact O-N 2.79Å; L138-S142 WeakPolarHBondContact O-CB 3.39Å; L138-S142 PolarHBondContact O-N 3.35Å; L138-S142 PolarHBondContact O-OG 3.39Å; L138-F170 HydrophobicContact CD2-CD1 3.69Å; L138-F170 HydrophobicContact CD2-CE1 4.35Å; L138-V177 HydrophobicContact CD1-CG2 4.1Å
139I95.9Very high94.4Very high73 Ų7350.4 Ų50.437%0.37425%0.25SS..Hα-helixtrans-57.3-59.3178.8-69.1162.6000112.3L92 V135 V141 S142 W143L92-I139 HydrophobicContact CD1-CG2 4.15Å; V135-I139 HydrophobicContact CG1-CD1 3.81Å; V135-I139 HydrophobicContact CG1-CG1 4.27Å; V135-I139 VanDerWaalsContact O-CG1 3.28Å; V135-I139 WeakPolarHBondContact O-CG1 3.2Å; V135-I139 PolarHBondContact O-N 3.5Å; I139-V141 PolarHBondContact O-N 3.49Å; I139-S142 PolarHBondContact O-OG 3.39Å; I139-W143 WeakPolarHBondContact O-CB 3.4Å; I139-W143 PolarHBondContact O-N 2.88Å
140P94.2Very high93.9Very high1 Ų154.7 Ų54.71%0.00627%0.273CS..Hα-helixtrans-66.8-37.3-178.326.4-34.4000112L92 M93 L136 T137 W143 Y144L92-P140 HydrophobicContact CB-CB 4.33Å; L92-P140 HydrophobicContact CB-CG 3.9Å; L92-P140 HydrophobicContact CD1-CB 4.16Å; L92-P140 HydrophobicContact CD1-CG 4.29Å; M93-P140 HydrophobicContact CG-CG 4.22Å; M93-P140 HydrophobicContact SD-CG 3.96Å; L136-P140 WeakPolarHBondContact O-CD 3.34Å; L136-P140 WeakPolarHBondContact O-CG 3.02Å; T137-P140 VanDerWaalsContact O-CD 3.32Å; T137-P140 WeakPolarHBondContact O-CD 3.46Å; T137-P140 WeakPolarHBondContact O-CG 3.19Å; P140-W143 PolarHBondContact O-N 3.03Å; P140-Y144 WeakPolarHBondContact O-CB 3.48Å; P140-Y144 PolarHBondContact O-N 2.79Å
141V94.7Very high93.5Very high0 Ų055.2 Ų55.20%028%0.276CS..Hα-helixtrans-64.3-47.2179175.30000111W39 M93 T137 I139 Y144 T145 L166 F170W39-V141 HydrophobicContact CH2-CG2 3.92Å; M93-V141 HydrophobicContact SD-CG2 4.4Å; T137-V141 WeakPolarHBondContact O-CG2 3.4Å; T137-V141 PolarHBondContact O-N 3.32Å; I139-V141 PolarHBondContact O-N 3.49Å; V141-Y144 PolarHBondContact O-N 3.36Å; V141-T145 WeakPolarHBondContact O-CG2 3.39Å; V141-T145 PolarHBondContact O-N 3.11Å; V141-T145 PolarHBondContact O-OG1 3.34Å; V141-L166 HydrophobicContact CG1-CB 4.47Å; V141-L166 HydrophobicContact CG1-CD2 4.11Å; V141-F170 HydrophobicContact CG1-CD1 4.25Å; V141-F170 HydrophobicContact CG1-CD2 3.73Å; V141-F170 HydrophobicContact CG1-CE1 4.11Å; V141-F170 HydrophobicContact CG1-CE2 3.59Å; V141-F170 HydrophobicContact CG1-CG 4.06Å; V141-F170 HydrophobicContact CG1-CZ 3.78Å
142S95.1Very high92.9Very high54 Ų5454.1 Ų54.138%0.37828%0.277SS..Hα-helixtrans-65.3-44.7177.8610000111.9L138 I139 Y144 T145 H146L138-S142 WeakPolarHBondContact O-CB 3.39Å; L138-S142 PolarHBondContact O-N 3.35Å; L138-S142 PolarHBondContact O-OG 3.39Å; I139-S142 PolarHBondContact O-OG 3.39Å; S142-Y144 PolarHBondContact O-N 2.95Å; S142-T145 PolarHBondContact O-N 3.3Å; S142-T145 PolarHBondContact O-OG1 2.88Å; S142-H146 PolarHBondContact O-N 2.88Å
143W94.3Very high92.2Very high152 Ų15253.5 Ų53.558%0.57627%0.272SS*.Hα-helixtrans-58.6-50.9175.8-167.7-49.7000110.9I85 I139 P140 T145 H146 I147I85-W143 HydrophobicContact CD1-CB 4.18Å; I85-W143 HydrophobicContact CD1-CD2 4.17Å; I85-W143 HydrophobicContact CD1-CG 3.67Å; I139-W143 WeakPolarHBondContact O-CB 3.4Å; I139-W143 PolarHBondContact O-N 2.88Å; P140-W143 PolarHBondContact O-N 3.03Å; W143-T145 VanDerWaalsContact C-N 3.3Å; W143-T145 PolarHBondContact O-N 2.81Å; W143-H146 WeakPolarHBondContact O-CB 3.26Å; W143-H146 PolarHBondContact O-N 3.45Å; W143-I147 WeakPolarHBondContact O-CG1 3.36Å; W143-I147 PolarHBondContact O-N 3.06Å; W143-I147 VanDerWaalsContact O-N 3.12Å
144Y92.1Very high91.5Very high0 Ų057.3 Ų57.30%029%0.292CS..Hα-helixtrans-57.4-43.7-179.8-170.6-84.8000111.7W39 R40 Y80 I86 P140 V141 S142 H146 I147 L148 I151 L166W39-Y144 HydrophobicContact CB-CE1 4.05Å; W39-Y144 AromaticContact CE3-CD1 3.79Å; W39-Y144 HydrophobicContact CE3-CD1 3.79Å; W39-Y144 AromaticContact CE3-CD2 3.77Å; W39-Y144 HydrophobicContact CE3-CD2 3.77Å; W39-Y144 AromaticContact CE3-CE1 3.99Å; W39-Y144 HydrophobicContact CE3-CE1 3.99Å; W39-Y144 AromaticContact CE3-CE2 3.96Å; W39-Y144 HydrophobicContact CE3-CE2 3.96Å; W39-Y144 AromaticContact CE3-CG 3.67Å; W39-Y144 HydrophobicContact CE3-CG 3.67Å; W39-Y144 HydrophobicContact CZ3-CD1 4.34Å; W39-Y144 HydrophobicContact CZ3-CD2 4.07Å; W39-Y144 AromaticContact CZ3-CG 3.87Å; W39-Y144 HydrophobicContact CZ3-CG 3.87Å; R40-Y144 HydrophobicContact CB-CE1 4.47Å; R40-Y144 VanDerWaalsContact CD-OH 3.28Å; R40-Y144 WeakPolarHBondContact CD-OH 3.39Å; R40-Y144 WeakPolarHBondContact CG-OH 3.24Å; Y80-Y144 PolarHBondContact OH-OH 2.64Å; Y80-Y144 VanDerWaalsContact OH-OH 3.08Å; I86-Y144 HydrophobicContact CD1-CD2 4.42Å; I86-Y144 HydrophobicContact CD1-CE2 3.8Å; P140-Y144 WeakPolarHBondContact O-CB 3.48Å; P140-Y144 PolarHBondContact O-N 2.79Å; V141-Y144 PolarHBondContact O-N 3.36Å; S142-Y144 PolarHBondContact O-N 2.95Å; Y144-H146 VanDerWaalsContact C-N 3.29Å; Y144-H146 PolarHBondContact O-N 2.95Å; Y144-I147 PolarHBondContact O-N 3.07Å; Y144-L148 HydrophobicContact CD1-CD1 3.98Å; Y144-L148 HydrophobicContact CE1-CD1 3.44Å; Y144-L148 VanDerWaalsContact CE1-CD1 3.44Å; Y144-L148 WeakPolarHBondContact O-CA 3.47Å; Y144-L148 PolarHBondContact O-N 3.4Å; Y144-I151 HydrophobicContact CD2-CD1 3.99Å; Y144-I151 HydrophobicContact CE1-CD1 4.34Å; Y144-I151 HydrophobicContact CE2-CD1 3.66Å; Y144-I151 HydrophobicContact CG-CD1 4.47Å; Y144-L166 HydrophobicContact CD1-CD1 4.02Å; Y144-L166 HydrophobicContact CD1-CD2 3.77Å; Y144-L166 HydrophobicContact CD1-CG 4.49Å; Y144-L166 HydrophobicContact CE1-CD1 4.24Å; Y144-L166 HydrophobicContact CE1-CD2 4.38Å; Y144-L166 HydrophobicContact CG-CD2 4.41Å
145T92.3Very high90.9Very high53 Ų5359 Ų5933%0.32530%0.3SS..Hα-helixtrans-64.3-34177.863.90000112.7V141 S142 W143 L166 F170V141-T145 WeakPolarHBondContact O-CG2 3.39Å; V141-T145 PolarHBondContact O-N 3.11Å; V141-T145 PolarHBondContact O-OG1 3.34Å; S142-T145 PolarHBondContact O-N 3.3Å; S142-T145 PolarHBondContact O-OG1 2.88Å; W143-T145 VanDerWaalsContact C-N 3.3Å; W143-T145 PolarHBondContact O-N 2.81Å; T145-L166 HydrophobicContact CG2-CB 4.28Å; T145-L166 HydrophobicContact CG2-CD1 3.83Å; T145-L166 HydrophobicContact CG2-CD2 4.12Å; T145-L166 HydrophobicContact CG2-CG 4.31Å; T145-F170 HydrophobicContact CG2-CE2 3.77Å; T145-F170 HydrophobicContact CG2-CZ 4.11Å
146H92.6Very high90.2Very high160 Ų16060.9 Ų60.974%0.74131%0.311SS*.Hα-helixtrans-67.6-45178.2-176.1-15.9000111.3S142 W143 Y144S142-H146 PolarHBondContact O-N 2.88Å; W143-H146 WeakPolarHBondContact O-CB 3.26Å; W143-H146 PolarHBondContact O-N 3.45Å; Y144-H146 VanDerWaalsContact C-N 3.29Å; Y144-H146 PolarHBondContact O-N 2.95Å
147I91.3Very high89.7Confident40 Ų4060.8 Ų60.821%0.20531%0.308CS..SBendtrans-95.411.9-175.666.7169.1000113.5I85 W143 Y144 K149 D150 I151I85-I147 HydrophobicContact CB-CD1 3.96Å; I85-I147 HydrophobicContact CG1-CD1 3.91Å; I85-I147 HydrophobicContact CG2-CD1 3.97Å; W143-I147 WeakPolarHBondContact O-CG1 3.36Å; W143-I147 PolarHBondContact O-N 3.06Å; W143-I147 VanDerWaalsContact O-N 3.12Å; Y144-I147 PolarHBondContact O-N 3.07Å; I147-K149 PolarHBondContact O-N 3.47Å; I147-D150 PolarHBondContact O-N 2.91Å; I147-I151 HydrophobicContact CD1-CG1 4.27Å; I147-I151 HydrophobicContact CG1-CD1 4.29Å; I147-I151 HydrophobicContact CG1-CG1 4.18Å; I147-I151 WeakPolarHBondContact O-CG1 3.46Å; I147-I151 PolarHBondContact O-N 3.27Å
148L88.5Confident89.1Confident22 Ų2266.1 Ų66.112%0.11534%0.341CS..THydrogen-bonded Turntrans-50.4-35.5-170.6-175.466.2000114.3R40 Y144 A162R40-L148 HydrophobicContact CB-CD1 3.84Å; Y144-L148 HydrophobicContact CD1-CD1 3.98Å; Y144-L148 HydrophobicContact CE1-CD1 3.44Å; Y144-L148 VanDerWaalsContact CE1-CD1 3.44Å; Y144-L148 WeakPolarHBondContact O-CA 3.47Å; Y144-L148 PolarHBondContact O-N 3.4Å; L148-A162 HydrophobicContact CD2-CB 3.83Å
149K83.9Confident88.5Confident191 Ų19167.4 Ų67.483%0.8335%0.348SS*.THydrogen-bonded Turntrans-83.3-21.1-178.8-65.6-1771791780113.9I147I147-K149 PolarHBondContact O-N 3.47Å
150D86.2Confident88.2Confident135 Ų13566.2 Ų66.272%0.72234%0.344SS*.THydrogen-bonded Turntrans-94.6-5.9-174.3-58.8-31.1000112.2I147 S152I147-D150 PolarHBondContact O-N 2.91Å; D150-S152 PolarHBondContact O-N 3.5Å
151I85.8Confident88Confident11 Ų1172.7 Ų72.76%0.05637%0.368CS..  trans-74118.8178.8-61.1165.2000110.3R40 Y80 Y144 I147R40-I151 PolarHBondContact NH1-O 3.32Å; Y80-I151 HydrophobicContact CD2-CG2 3.69Å; Y80-I151 HydrophobicContact CE2-CG2 3.85Å; Y144-I151 HydrophobicContact CD2-CD1 3.99Å; Y144-I151 HydrophobicContact CE1-CD1 4.34Å; Y144-I151 HydrophobicContact CE2-CD1 3.66Å; Y144-I151 HydrophobicContact CG-CD1 4.47Å; I147-I151 HydrophobicContact CD1-CG1 4.27Å; I147-I151 HydrophobicContact CG1-CD1 4.29Å; I147-I151 HydrophobicContact CG1-CG1 4.18Å; I147-I151 WeakPolarHBondContact O-CG1 3.46Å; I147-I151 PolarHBondContact O-N 3.27Å
152S84.2Confident87.8Confident51 Ų5175.8 Ų75.836%0.35739%0.393SS..  trans-65.8151178.460.10000113.2N83 D150N83-S152 PolarHBondContact ND2-O 3.24Å; N83-S152 PolarHBondContact ND2-OG 2.85Å; N83-S152 PolarHBondContact OD1-OG 3.43Å; D150-S152 PolarHBondContact O-N 3.5Å
153T83.8Confident87.6Confident38 Ų3873.3 Ų73.323%0.23338%0.377CS..  trans-143.2148.4175.949.10000110.7R40 L42 F155R40-T153 VanDerWaalsContact CZ-CG2 3.49Å; L42-T153 HydrophobicContact CD1-CG2 4.25Å; T153-F155 PolarHBondContact O-N 2.94Å; T153-F155 PolarHBondContact OG1-O 3.14Å
154D83.1Confident87.5Confident81 Ų8172.1 Ų72.143%0.43337%0.373SS..SBendtrans-68.7-16.5169.1-71.2-28.4000112.2D77 T78 A79D77-D154 PolarHBondContact OD1-N 3.12Å; T78-D154 PolarHBondContact N-OD2 3.33Å; T78-D154 PolarHBondContact OG1-OD2 3.42Å; A79-D154 WeakPolarHBondContact CB-OD1 3.18Å; A79-D154 PolarHBondContact N-OD1 3.26Å; A79-D154 PolarHBondContact N-OD2 3.1Å
155F83.6Confident87.5Confident34 Ų3472.1 Ų72.115%0.14937%0.373CS..SBendtrans-88.5129.6-178.7-54.9-59.9000112.9L42 V45 Y54 V75 D77 T153L42-F155 HydrophobicContact CD1-CB 4.42Å; L42-F155 HydrophobicContact CD1-CD2 4.1Å; V45-F155 HydrophobicContact CG1-CB 3.82Å; V45-F155 HydrophobicContact CG1-CD1 4.08Å; V45-F155 HydrophobicContact CG1-CG 4.24Å; V45-F155 HydrophobicContact CG2-CB 4.18Å; Y54-F155 HydrophobicContact CD1-CE1 4.48Å; Y54-F155 HydrophobicContact CD1-CE2 4.02Å; Y54-F155 HydrophobicContact CD1-CZ 4Å; Y54-F155 HydrophobicContact CE1-CD1 4.44Å; Y54-F155 AromaticContact CE1-CE1 3.82Å; Y54-F155 HydrophobicContact CE1-CE1 3.82Å; Y54-F155 HydrophobicContact CE1-CE2 4.15Å; Y54-F155 AromaticContact CE1-CZ 3.66Å; Y54-F155 HydrophobicContact CE1-CZ 3.66Å; Y54-F155 AromaticContact CZ-CE1 3.92Å; V75-F155 HydrophobicContact CG1-CZ 3.87Å; D77-F155 HydrophobicContact CB-CE2 3.9Å; D77-F155 HydrophobicContact CB-CZ 4.43Å; D77-F155 WeakPolarHBondContact OD2-CD2 3.35Å; D77-F155 WeakPolarHBondContact OD2-CE2 3.3Å; T153-F155 PolarHBondContact O-N 2.94Å; T153-F155 PolarHBondContact OG1-O 3.14Å
156V83Confident87.6Confident95 Ų9569.8 Ų69.858%0.57636%0.358SS*.  trans-78.4124.7168.6-177.50000109.3V45 T46V45-V156 VanDerWaalsContact CA-O 3.31Å; V45-V156 WeakPolarHBondContact CA-O 3.47Å; T46-V156 HydrophobicContact CG2-CB 3.85Å; T46-V156 HydrophobicContact CG2-CG1 3.74Å; T46-V156 PolarHBondContact N-O 2.99Å; T46-V156 VanDerWaalsContact N-O 3.13Å
157R86.3Confident87.7Confident44 Ų4466.2 Ų66.217%0.16635%0.348CS..  trans-129.9147.1-159.5-17971.2-14398.422.8111.6L42 H43 G44 D159L42-R157 VanDerWaalsContact C-NE 3.27Å; L42-R157 VanDerWaalsContact CB-CD 3.41Å; L42-R157 HydrophobicContact CD2-CG 4.01Å; H43-R157 PolarHBondContact O-NH1 3.34Å; H43-R157 PolarHBondContact O-NH2 3.44Å; G44-R157 PolarHBondContact O-NH1 3.1Å; R157-D159 VanDerWaalsContact CZ-N 3.26Å; R157-D159 PolarHBondContact NE-O 3.33Å; R157-D159 VanDerWaalsContact NH2-C 3.33Å; R157-D159 VanDerWaalsContact NH2-CA 3.28Å; R157-D159 PolarHBondContact NH2-O 3.11Å
158T82.7Confident87.9Confident114 Ų11466.5 Ų66.570%0.69935%0.35SS*.SBendtrans-97.5-31.9175.945.40000115H43 G44H43-T158 PolarHBondContact O-OG1 2.94Å; G44-T158 PolarHBondContact O-OG1 3.5Å
159D85.7Confident88.3Confident67 Ų6765.5 Ų65.536%0.35834%0.344SS..  trans-159.7124.7-171.4-178.832.2000112.1R157 R161R157-D159 VanDerWaalsContact CZ-N 3.26Å; R157-D159 PolarHBondContact NE-O 3.33Å; R157-D159 VanDerWaalsContact NH2-C 3.33Å; R157-D159 VanDerWaalsContact NH2-CA 3.28Å; R157-D159 PolarHBondContact NH2-O 3.11Å; D159-R161 IonicContact OD2-CZ 3.51Å; D159-R161 IonicContact OD2-NE 2.85Å; D159-R161 PolarHBondContact OD2-NE 3.44Å; D159-R161 IonicContact OD2-NH2 3.25Å; D159-R161 PolarHBondContact OD2-NH2 3.2Å
160T87.9Confident88.9Confident48 Ų4859.6 Ų59.629%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-110.1127.1179.7-59.10000109.2R40 L42R40-T160 HydrophobicContact CB-CG2 4.49Å; L42-T160 HydrophobicContact CD2-CG2 3.88Å
161R90.4Very high89.4Confident137 Ų13756.4 Ų56.452%0.51730%0.301SS..EExtended strand (participates in β ladder)trans-116.4150.1178.5-54.3-176.8-177.1-179.3-1.5111.5R40 T41 D159R40-R161 WeakPolarHBondContact CA-O 2.92Å; T41-R161 PolarHBondContact N-O 2.91Å; T41-R161 PolarHBondContact O-N 3.34Å; T41-R161 WeakPolarHBondContact OG1-CB 3.47Å; D159-R161 IonicContact OD2-CZ 3.51Å; D159-R161 IonicContact OD2-NE 2.85Å; D159-R161 PolarHBondContact OD2-NE 3.44Å; D159-R161 IonicContact OD2-NH2 3.25Å; D159-R161 PolarHBondContact OD2-NH2 3.2Å
162A90.8Very high90Very high64 Ų6455.9 Ų55.953%0.52930%0.298SS..EExtended strand (participates in β ladder)trans-69.6137.3174.300000110.1L148 L166L148-A162 HydrophobicContact CD2-CB 3.83Å; A162-L166 HydrophobicContact CB-CD1 4.13Å
163G91.4Very high90.6Very high3 Ų353.4 Ų53.43%0.03128%0.281CS..  trans-82.6161.1178.200000113.7N38 W39 C165 L166N38-G163 CarbonylContact O-C 3.03Å; N38-G163 VanDerWaalsContact O-CA 3.3Å; N38-G163 WeakPolarHBondContact O-CA 3.3Å; N38-G163 VanDerWaalsContact OD1-C 3.3Å; N38-G163 WeakPolarHBondContact OD1-CA 3.36Å; W39-G163 WeakPolarHBondContact O-CA 3.36Å; W39-G163 PolarHBondContact O-N 3.34Å; G163-C165 PolarHBondContact O-N 3.08Å; G163-L166 PolarHBondContact O-N 2.89Å
164Y91.9Very high91.2Very high126 Ų12655.5 Ų55.549%0.49429%0.29SS..Hα-helixtrans-67.5-25.1179.866.6-99.3000112.3N38 L166 V167 L168N38-Y164 HydrophobicContact CB-CD1 3.82Å; N38-Y164 HydrophobicContact CB-CE1 3.29Å; N38-Y164 WeakPolarHBondContact ND2-CE1 3.36Å; N38-Y164 WeakPolarHBondContact OD1-CD1 3.47Å; N38-Y164 WeakPolarHBondContact OD1-CE1 3.24Å; N38-Y164 PolarHBondContact OD1-N 2.94Å; Y164-L166 VanDerWaalsContact C-N 3.26Å; Y164-L166 PolarHBondContact O-N 3.25Å; Y164-V167 WeakPolarHBondContact O-CB 3.32Å; Y164-V167 PolarHBondContact O-N 3.41Å; Y164-V167 VanDerWaalsContact O-N 3.15Å; Y164-L168 HydrophobicContact CD2-CD1 3.87Å; Y164-L168 HydrophobicContact CE2-CD1 4.19Å; Y164-L168 PolarHBondContact O-N 3.27Å; Y164-L168 VanDerWaalsContact O-N 3.11Å
165C92.8Very high91.9Very high0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-62.3-35179.4-59.60000111.9T33 A36 N38 G163 V167 L168 G169T33-C165 HydrophobicContact CG2-CB 4.31Å; T33-C165 VanDerWaalsContact CG2-O 3.24Å; T33-C165 WeakPolarHBondContact CG2-O 3.37Å; T33-C165 PolarHBondContact OG1-O 2.99Å; A36-C165 WeakPolarHBondContact CB-SG 3.3Å; N38-C165 WeakPolarHBondContact O-CB 3.16Å; N38-C165 PolarHBondContact O-N 2.85Å; N38-C165 PolarHBondContact O-SG 3.36Å; G163-C165 PolarHBondContact O-N 3.08Å; C165-V167 VanDerWaalsContact C-N 3.28Å; C165-V167 PolarHBondContact O-N 3.35Å; C165-L168 PolarHBondContact O-N 3.27Å; C165-G169 PolarHBondContact O-N 3.42Å
166L93.8Very high92.5Very high4 Ų453.4 Ų53.42%0.02128%0.277CS..Hα-helixtrans-61.1-40.8176.8-65.3172.1000111.3W39 V141 Y144 T145 A162 G163 Y164 G169 F170W39-L166 HydrophobicContact CD2-CD2 4.01Å; W39-L166 HydrophobicContact CE3-CD2 3.47Å; W39-L166 VanDerWaalsContact CE3-CD2 3.47Å; W39-L166 HydrophobicContact CH2-CD2 4.45Å; W39-L166 HydrophobicContact CZ3-CD2 3.72Å; W39-L166 WeakPolarHBondContact O-CD1 3.47Å; V141-L166 HydrophobicContact CG1-CB 4.47Å; V141-L166 HydrophobicContact CG1-CD2 4.11Å; Y144-L166 HydrophobicContact CD1-CD1 4.02Å; Y144-L166 HydrophobicContact CD1-CD2 3.77Å; Y144-L166 HydrophobicContact CD1-CG 4.49Å; Y144-L166 HydrophobicContact CE1-CD1 4.24Å; Y144-L166 HydrophobicContact CE1-CD2 4.38Å; Y144-L166 HydrophobicContact CG-CD2 4.41Å; T145-L166 HydrophobicContact CG2-CB 4.28Å; T145-L166 HydrophobicContact CG2-CD1 3.83Å; T145-L166 HydrophobicContact CG2-CD2 4.12Å; T145-L166 HydrophobicContact CG2-CG 4.31Å; A162-L166 HydrophobicContact CB-CD1 4.13Å; G163-L166 PolarHBondContact O-N 2.89Å; Y164-L166 VanDerWaalsContact C-N 3.26Å; Y164-L166 PolarHBondContact O-N 3.25Å; L166-G169 PolarHBondContact O-N 3.34Å; L166-F170 WeakPolarHBondContact O-CD2 3.31Å; L166-F170 PolarHBondContact O-N 2.81Å
167V95.6Very high93.2Very high86 Ų8650 Ų5052%0.52126%0.257SS..Hα-helixtrans-65.6-44.4176.9-176.90000110.5Y164 C165 G169 F170 I171Y164-V167 WeakPolarHBondContact O-CB 3.32Å; Y164-V167 PolarHBondContact O-N 3.41Å; Y164-V167 VanDerWaalsContact O-N 3.15Å; C165-V167 VanDerWaalsContact C-N 3.28Å; C165-V167 PolarHBondContact O-N 3.35Å; V167-G169 VanDerWaalsContact C-N 3.27Å; V167-G169 PolarHBondContact O-N 2.9Å; V167-F170 PolarHBondContact O-N 2.91Å; V167-I171 HydrophobicContact CG1-CD1 3.93Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.5Å; V167-I171 PolarHBondContact O-N 3.18Å
168L95.6Very high93.6Very high46 Ų4651.8 Ų51.824%0.24127%0.269CS..Hα-helixtrans-61.6-37.1174.9-63178.9000111.8L29 V32 Y164 C165 I171 G172L29-L168 HydrophobicContact CD2-CD2 4.1Å; V32-L168 HydrophobicContact CG1-CD1 3.83Å; Y164-L168 HydrophobicContact CD2-CD1 3.87Å; Y164-L168 HydrophobicContact CE2-CD1 4.19Å; Y164-L168 PolarHBondContact O-N 3.27Å; Y164-L168 VanDerWaalsContact O-N 3.11Å; C165-L168 PolarHBondContact O-N 3.27Å; L168-I171 PolarHBondContact O-N 2.89Å; L168-G172 PolarHBondContact O-N 3.16Å
169G95.8Very high94.2Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-64.3-43.6175.900000112.5T33 C165 L166 V167 G173T33-G169 WeakPolarHBondContact OG1-CA 3.28Å; T33-G169 PolarHBondContact OG1-N 2.73Å; C165-G169 PolarHBondContact O-N 3.42Å; L166-G169 PolarHBondContact O-N 3.34Å; V167-G169 VanDerWaalsContact C-N 3.27Å; V167-G169 PolarHBondContact O-N 2.9Å; G169-G173 PolarHBondContact O-N 2.9Å
170F97.2Very high94.5Very high68 Ų6843.1 Ų43.130%0.29822%0.218SC..Hα-helixtrans-62-47.9173.3-80.1-64.6000112L138 V141 T145 L166 V167 I174L138-F170 HydrophobicContact CD2-CD1 3.69Å; L138-F170 HydrophobicContact CD2-CE1 4.35Å; V141-F170 HydrophobicContact CG1-CD1 4.25Å; V141-F170 HydrophobicContact CG1-CD2 3.73Å; V141-F170 HydrophobicContact CG1-CE1 4.11Å; V141-F170 HydrophobicContact CG1-CE2 3.59Å; V141-F170 HydrophobicContact CG1-CG 4.06Å; V141-F170 HydrophobicContact CG1-CZ 3.78Å; T145-F170 HydrophobicContact CG2-CE2 3.77Å; T145-F170 HydrophobicContact CG2-CZ 4.11Å; L166-F170 WeakPolarHBondContact O-CD2 3.31Å; L166-F170 PolarHBondContact O-N 2.81Å; V167-F170 PolarHBondContact O-N 2.91Å; F170-I174 WeakPolarHBondContact O-CB 3.46Å; F170-I174 WeakPolarHBondContact O-CD1 3.48Å; F170-I174 WeakPolarHBondContact O-CG1 3.49Å; F170-I174 PolarHBondContact O-N 3.49Å
171I97.3Very high94.8Very high67 Ų6744 Ų4434%0.34422%0.221SC..Hα-helixtrans-62.8-45.9179.7-63166.5000110L29 V167 L168 I174 F175L29-I171 HydrophobicContact CD1-CB 4.36Å; L29-I171 HydrophobicContact CD1-CG2 3.77Å; V167-I171 HydrophobicContact CG1-CD1 3.93Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.5Å; V167-I171 PolarHBondContact O-N 3.18Å; L168-I171 PolarHBondContact O-N 2.89Å; I171-I174 PolarHBondContact O-N 3.02Å; I171-F175 HydrophobicContact CG2-CD1 4.32Å; I171-F175 HydrophobicContact CG2-CE1 4.02Å; I171-F175 HydrophobicContact CG2-CE2 4.32Å; I171-F175 HydrophobicContact CG2-CZ 4.02Å; I171-F175 WeakPolarHBondContact O-CB 3.37Å; I171-F175 WeakPolarHBondContact O-CD1 3.2Å; I171-F175 WeakPolarHBondContact O-CG 3.31Å; I171-F175 PolarHBondContact O-N 3.08Å
172G96.7Very high94.9Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-59.8-51.4177.800000112.4L168 I174 F175 E176L168-G172 PolarHBondContact O-N 3.16Å; G172-I174 PolarHBondContact O-N 3.36Å; G172-F175 PolarHBondContact O-N 2.79Å; G172-F175 VanDerWaalsContact O-N 3.17Å; G172-E176 WeakPolarHBondContact O-CG 3.36Å; G172-E176 PolarHBondContact O-N 2.77Å
173G96.8Very high94.8Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-61.8-39.7177.800000113.2T137 G169 E176 V177T137-G173 VanDerWaalsContact OG1-CA 3.29Å; T137-G173 WeakPolarHBondContact OG1-CA 3.47Å; G169-G173 PolarHBondContact O-N 2.9Å; G173-E176 PolarHBondContact O-N 2.96Å; G173-V177 WeakPolarHBondContact O-CB 3.39Å; G173-V177 VanDerWaalsContact O-CG2 3.3Å; G173-V177 WeakPolarHBondContact O-CG2 3.41Å; G173-V177 PolarHBondContact O-N 3.27Å
174I97.4Very high94.6Very high82 Ų8236.5 Ų36.542%0.42118%0.183SC..Hα-helixtrans-64.3-42174.4-69.5165.5000111F170 I171 G172 E176 V177 L178F170-I174 WeakPolarHBondContact O-CB 3.46Å; F170-I174 WeakPolarHBondContact O-CD1 3.48Å; F170-I174 WeakPolarHBondContact O-CG1 3.49Å; F170-I174 PolarHBondContact O-N 3.49Å; I171-I174 PolarHBondContact O-N 3.02Å; G172-I174 PolarHBondContact O-N 3.36Å; I174-E176 VanDerWaalsContact C-N 3.35Å; I174-V177 PolarHBondContact O-N 3.2Å; I174-L178 HydrophobicContact CG2-CD1 3.73Å; I174-L178 HydrophobicContact CG2-CG 4.17Å; I174-L178 WeakPolarHBondContact O-CB 3.03Å; I174-L178 VanDerWaalsContact O-CG 3.28Å; I174-L178 WeakPolarHBondContact O-CG 3.26Å; I174-L178 PolarHBondContact O-N 3.37Å
175F96.9Very high94.3Very high70 Ų7034.7 Ų34.731%0.30718%0.182SC..Hα-helixtrans-64-40.6177.6-80.417.4000111.8M22 C25 L29 I171 G172 G179M22-F175 HydrophobicContact CB-CB 4.49Å; C25-F175 HydrophobicContact CB-CD2 4.38Å; L29-F175 HydrophobicContact CD1-CD2 4.27Å; I171-F175 HydrophobicContact CG2-CD1 4.32Å; I171-F175 HydrophobicContact CG2-CE1 4.02Å; I171-F175 HydrophobicContact CG2-CE2 4.32Å; I171-F175 HydrophobicContact CG2-CZ 4.02Å; I171-F175 WeakPolarHBondContact O-CB 3.37Å; I171-F175 WeakPolarHBondContact O-CD1 3.2Å; I171-F175 WeakPolarHBondContact O-CG 3.31Å; I171-F175 PolarHBondContact O-N 3.08Å; G172-F175 PolarHBondContact O-N 2.79Å; G172-F175 VanDerWaalsContact O-N 3.17Å; F175-G179 PolarHBondContact O-N 3.15Å
176E96.6Very high93.7Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-64.3-46.8174-69175.9177.700111.5W27 S30 N100 I130 G134 G172 G173 I174 G179 G180W27-E176 WeakPolarHBondContact CA-OE1 3.34Å; W27-E176 PolarHBondContact N-OE1 3.36Å; S30-E176 PolarHBondContact OG-OE1 3.1Å; N100-E176 WeakPolarHBondContact ND2-CG 3.47Å; N100-E176 PolarHBondContact ND2-OE1 3.39Å; I130-E176 HydrophobicContact CG2-CB 4.48Å; I130-E176 WeakPolarHBondContact CG2-O 3.34Å; G134-E176 WeakPolarHBondContact CA-OE2 3.02Å; G134-E176 PolarHBondContact N-OE2 3.4Å; G172-E176 WeakPolarHBondContact O-CG 3.36Å; G172-E176 PolarHBondContact O-N 2.77Å; G173-E176 PolarHBondContact O-N 2.96Å; I174-E176 VanDerWaalsContact C-N 3.35Å; E176-G179 PolarHBondContact O-N 2.98Å; E176-G180 PolarHBondContact O-N 2.95Å
177V97.3Very high92.7Very high25 Ų2534.8 Ų34.815%0.15218%0.183CC..Hα-helixtrans-59.7-50.9177.3164.50000111.4F131 V135 L138 G173 I174 G179 G180 I181F131-V177 HydrophobicContact CD2-CB 4.36Å; F131-V177 HydrophobicContact CD2-CG1 3.94Å; F131-V177 HydrophobicContact CD2-CG2 4.34Å; F131-V177 HydrophobicContact CE2-CG1 3.81Å; F131-V177 HydrophobicContact CE2-CG2 4.42Å; V135-V177 HydrophobicContact CG2-CG2 4.24Å; L138-V177 HydrophobicContact CD1-CG2 4.1Å; G173-V177 WeakPolarHBondContact O-CB 3.39Å; G173-V177 VanDerWaalsContact O-CG2 3.3Å; G173-V177 WeakPolarHBondContact O-CG2 3.41Å; G173-V177 PolarHBondContact O-N 3.27Å; I174-V177 PolarHBondContact O-N 3.2Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 3.47Å; V177-G180 PolarHBondContact O-N 2.72Å; V177-I181 HydrophobicContact CG1-CD1 3.74Å; V177-I181 WeakPolarHBondContact O-CB 3.45Å; V177-I181 VanDerWaalsContact O-CG1 3.28Å; V177-I181 WeakPolarHBondContact O-CG1 3.45Å; V177-I181 PolarHBondContact O-N 2.86Å
178L95.9Very high91.5Very high80 Ų8034.2 Ų34.242%0.41918%0.182SC..Hα-helixtrans-63.9-41.8179-70.1176000111.2M22 I174 V182M22-L178 HydrophobicContact CE-CB 3.88Å; M22-L178 HydrophobicContact SD-CB 4.27Å; I174-L178 HydrophobicContact CG2-CD1 3.73Å; I174-L178 HydrophobicContact CG2-CG 4.17Å; I174-L178 WeakPolarHBondContact O-CB 3.03Å; I174-L178 VanDerWaalsContact O-CG 3.28Å; I174-L178 WeakPolarHBondContact O-CG 3.26Å; I174-L178 PolarHBondContact O-N 3.37Å; L178-V182 WeakPolarHBondContact O-CB 3.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 3.3Å
179G93.8Very high90.1Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-61-4817700000112.2F175 E176 V177 V182 M183F175-G179 PolarHBondContact O-N 3.15Å; E176-G179 PolarHBondContact O-N 2.98Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 3.47Å; G179-V182 PolarHBondContact O-N 2.71Å; G179-M183 WeakPolarHBondContact O-CB 3.05Å; G179-M183 VanDerWaalsContact O-CG 3.24Å; G179-M183 WeakPolarHBondContact O-CG 3.27Å; G179-M183 PolarHBondContact O-N 3.08Å
180G93.7Very high88.4Confident0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-60.6-51.5177.200000112.5G127 E176 V177 V182 M183 S184G127-G180 WeakPolarHBondContact O-CA 3.19Å; E176-G180 PolarHBondContact O-N 2.95Å; V177-G180 PolarHBondContact O-N 2.72Å; G180-V182 VanDerWaalsContact C-N 3.35Å; G180-V182 PolarHBondContact O-N 3.32Å; G180-M183 PolarHBondContact O-N 3.4Å; G180-S184 WeakPolarHBondContact O-CB 3.43Å; G180-S184 PolarHBondContact O-N 2.88Å; G180-S184 PolarHBondContact O-OG 2.53Å
181I93.9Very high86.4Confident67 Ų6740.4 Ų40.434%0.34421%0.212SC..Hα-helixtrans-57.5-48.8178.3-70167.5000110.9F131 V177 M183 S184 I185F131-I181 HydrophobicContact CD2-CD1 4.02Å; F131-I181 HydrophobicContact CD2-CG1 3.63Å; F131-I181 HydrophobicContact CE2-CD1 3.86Å; F131-I181 HydrophobicContact CE2-CG1 3.91Å; V177-I181 HydrophobicContact CG1-CD1 3.74Å; V177-I181 WeakPolarHBondContact O-CB 3.45Å; V177-I181 VanDerWaalsContact O-CG1 3.28Å; V177-I181 WeakPolarHBondContact O-CG1 3.45Å; V177-I181 PolarHBondContact O-N 2.86Å; I181-M183 VanDerWaalsContact C-N 3.33Å; I181-M183 PolarHBondContact O-N 3.15Å; I181-S184 PolarHBondContact O-N 3.3Å; I181-I185 HydrophobicContact CG2-CD1 3.54Å; I181-I185 HydrophobicContact CG2-CG1 4.31Å; I181-I185 WeakPolarHBondContact O-CB 3.42Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.45Å; I181-I185 PolarHBondContact O-N 2.76Å
182V91.5Very high84.2Confident24 Ų2439.9 Ų39.915%0.14522%0.223CC..Hα-helixtrans-62.3-41.8-178.6162.40000111.4I15 L178 G179 G180 G186I15-V182 HydrophobicContact CB-CG1 4.12Å; I15-V182 HydrophobicContact CG1-CG1 3.68Å; I15-V182 HydrophobicContact CG2-CG1 4.12Å; I15-V182 WeakPolarHBondContact O-CG1 3.45Å; L178-V182 WeakPolarHBondContact O-CB 3.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 3.3Å; G179-V182 PolarHBondContact O-N 2.71Å; G180-V182 VanDerWaalsContact C-N 3.35Å; G180-V182 PolarHBondContact O-N 3.32Å; V182-G186 WeakPolarHBondContact O-CA 3.29Å; V182-G186 PolarHBondContact O-N 2.61Å
183M88.4Confident81.9Confident1 Ų141.5 Ų41.51%0.00524%0.24CC..Hα-helixtrans-68.5-43.1177.6-72.717667.700112.1M20 A107 I130 G179 G180 I181 G186 C187M20-M183 HydrophobicContact CG-CE 4.37Å; M20-M183 HydrophobicContact SD-CE 3.68Å; M20-M183 HydrophobicContact SD-SD 4.41Å; A107-M183 HydrophobicContact CB-CE 3.44Å; A107-M183 VanDerWaalsContact CB-CE 3.44Å; I130-M183 HydrophobicContact CD1-CE 4.17Å; I130-M183 HydrophobicContact CD1-SD 3.99Å; G179-M183 WeakPolarHBondContact O-CB 3.05Å; G179-M183 VanDerWaalsContact O-CG 3.24Å; G179-M183 WeakPolarHBondContact O-CG 3.27Å; G179-M183 PolarHBondContact O-N 3.08Å; G180-M183 PolarHBondContact O-N 3.4Å; I181-M183 VanDerWaalsContact C-N 3.33Å; I181-M183 PolarHBondContact O-N 3.15Å; M183-G186 PolarHBondContact O-N 2.83Å; M183-C187 WeakPolarHBondContact O-CB 3.05Å; M183-C187 PolarHBondContact O-N 3.02Å
184S88.1Confident79.5Confident20 Ų2052.3 Ų52.314%0.1428%0.28CS..Hα-helixtrans-60.8-47.3176-63.50000111.6G127 I128 G180 I181 C188G127-S184 VanDerWaalsContact C-OG 3.22Å; G127-S184 WeakPolarHBondContact CA-OG 3.46Å; I128-S184 PolarHBondContact N-OG 2.67Å; G180-S184 WeakPolarHBondContact O-CB 3.43Å; G180-S184 PolarHBondContact O-N 2.88Å; G180-S184 PolarHBondContact O-OG 2.53Å; I181-S184 PolarHBondContact O-N 3.3Å; S184-C188 WeakPolarHBondContact O-CB 3.13Å; S184-C188 PolarHBondContact O-N 3.03Å; S184-C188 PolarHBondContact O-SG 2.64Å
185I85.6Confident77.2Confident89 Ų8952.9 Ų52.946%0.45628%0.284SS..Hα-helixtrans-66.8-44.1177.6-65.6171.2000110.8I181 C187 C188 R189I181-I185 HydrophobicContact CG2-CD1 3.54Å; I181-I185 HydrophobicContact CG2-CG1 4.31Å; I181-I185 WeakPolarHBondContact O-CB 3.42Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.45Å; I181-I185 PolarHBondContact O-N 2.76Å; I185-C187 VanDerWaalsContact C-N 3.33Å; I185-C187 PolarHBondContact O-N 2.87Å; I185-C188 PolarHBondContact O-N 2.91Å; I185-R189 HydrophobicContact CG2-CG 4.32Å; I185-R189 WeakPolarHBondContact O-CG 3.35Å; I185-R189 PolarHBondContact O-N 3Å
186G79.3Confident75Confident4 Ų451.3 Ų51.34%0.04128%0.277CS..Hα-helixtrans-57.4-44.8178.800000112.2V182 M183 C190V182-G186 WeakPolarHBondContact O-CA 3.29Å; V182-G186 PolarHBondContact O-N 2.61Å; M183-G186 PolarHBondContact O-N 2.83Å; G186-C190 PolarHBondContact O-N 2.84Å; G186-C190 PolarHBondContact O-SG 2.98Å
187C74.2Confident72.8Confident2 Ų252.5 Ų52.51%0.01429%0.288CS..Hα-helixtrans-73-39.5177-850000112.6C123 M183 I185 R189 C190 C191C123-C187 HydrophobicContact CB-CB 3.87Å; C123-C187 WeakPolarHBondContact CB-SG 3.36Å; C123-C187 WeakPolarHBondContact SG-CB 3.31Å; C123-C187 CovalentContact SG-SG 2.03Å; C123-C187 PolarHBondContact SG-SG 3.04Å; M183-C187 WeakPolarHBondContact O-CB 3.05Å; M183-C187 PolarHBondContact O-N 3.02Å; I185-C187 VanDerWaalsContact C-N 3.33Å; I185-C187 PolarHBondContact O-N 2.87Å; C187-R189 VanDerWaalsContact C-N 3.34Å; C187-R189 PolarHBondContact O-N 3.31Å; C187-C190 CarbonylContact O-C 3.53Å; C187-C190 WeakPolarHBondContact O-CA 3.49Å; C187-C190 WeakPolarHBondContact O-CB 3.32Å; C187-C190 PolarHBondContact O-N 2.92Å; C187-C191 PolarHBondContact O-N 2.88Å; C187-C191 PolarHBondContact O-SG 2.92Å
188C69.6Low70.6Confident73 Ų7353.8 Ų53.849%0.49329%0.293SS..Hα-helixtrans-59.1-40.8172.4-73.80000113.1S184 I185 C190 C191S184-C188 WeakPolarHBondContact O-CB 3.13Å; S184-C188 PolarHBondContact O-N 3.03Å; S184-C188 PolarHBondContact O-SG 2.64Å; I185-C188 PolarHBondContact O-N 2.91Å; C188-C190 PolarHBondContact O-N 3.22Å; C188-C191 PolarHBondContact O-N 3.11Å
189R67Low68.4Low160 Ų16057.1 Ų57.160%0.60430%0.3SS*.Hα-helixtrans-69.5-21.5176-69.5-171.786.895.4-2.5113.2I185 C187 N195I185-R189 HydrophobicContact CG2-CG 4.32Å; I185-R189 WeakPolarHBondContact O-CG 3.35Å; I185-R189 PolarHBondContact O-N 3Å; C187-R189 VanDerWaalsContact C-N 3.34Å; C187-R189 PolarHBondContact O-N 3.31Å; R189-N195 PolarHBondContact O-ND2 3.5Å
190C60.1Low66.4Low16 Ų1659 Ų5911%0.10831%0.312CS..Hα-helixtrans-85.9-31.3174.2-66.50000112.8W120 G186 C187 C188 G192 G193W120-C190 HydrophobicContact CE3-CB 4.18Å; W120-C190 HydrophobicContact CH2-CB 3.37Å; W120-C190 HydrophobicContact CZ2-CB 4.05Å; W120-C190 HydrophobicContact CZ3-CB 3.47Å; W120-C190 VanDerWaalsContact CZ3-CB 3.47Å; G186-C190 PolarHBondContact O-N 2.84Å; G186-C190 PolarHBondContact O-SG 2.98Å; C187-C190 CarbonylContact O-C 3.53Å; C187-C190 WeakPolarHBondContact O-CA 3.49Å; C187-C190 WeakPolarHBondContact O-CB 3.32Å; C187-C190 PolarHBondContact O-N 2.92Å; C188-C190 PolarHBondContact O-N 3.22Å; C190-G192 PolarHBondContact O-N 3.4Å; C190-G193 PolarHBondContact O-N 2.96Å
191C54.4Low64.5Low69 Ų6961.4 Ų61.447%0.46632%0.324SS..Hα-helixtrans-61.5-25.5174.6-65.80000113.6W120 C187 C188W120-C191 WeakPolarHBondContact CB-SG 3.01Å; C187-C191 PolarHBondContact O-N 2.88Å; C187-C191 PolarHBondContact O-SG 2.92Å; C188-C191 PolarHBondContact O-N 3.11Å
192G51.4Low62.8Low56 Ų5664.6 Ų64.658%0.57734%0.338SS*.THydrogen-bonded Turntrans-89.89.9-177.100000116.1C190 R194C190-G192 PolarHBondContact O-N 3.4Å; G192-R194 PolarHBondContact O-N 3.48Å
193G48Very low61.3Low33 Ų3368.6 Ų68.634%0.3436%0.358SS..SBendtrans65.9-14.1179.800000116.1C190 N195C190-G193 PolarHBondContact O-N 2.96Å; G193-N195 VanDerWaalsContact C-N 3.34Å; G193-N195 PolarHBondContact O-N 3.06Å
194R45.9Very low59.7Low227 Ų22771.9 Ų71.986%0.85738%0.378SS*.THydrogen-bonded Turntrans-73.7-13.4-166.9-112.3165.885.4152.22.2116.3G192G192-R194 PolarHBondContact O-N 3.48Å
195N49.3Very low58.4Low94 Ų9477 Ų7750%0.50340%0.403SS..THydrogen-bonded Turntrans-130.26.7-173.1-63.5-65.3000115.1R189 G193 G197R189-N195 PolarHBondContact O-ND2 3.5Å; G193-N195 VanDerWaalsContact C-N 3.34Å; G193-N195 PolarHBondContact O-N 3.06Å; N195-G197 PolarHBondContact O-N 2.95Å
196R51.8Low56.9Low38 Ų3874.1 Ų74.114%0.14340%0.396CS..SBendtrans-849.2178.1-107.5-170.7173.7172.72.2114.8C113 E198C113-R196 PolarHBondContact SG-NH2 3.48Å; R196-E198 HydrophobicContact CB-CB 4.49Å; R196-E198 HydrophobicContact CB-CG 3.96Å; R196-E198 PolarHBondContact O-N 3.44Å; R196-E198 VanDerWaalsContact O-N 3.11Å
197G50.3Low56Low24 Ų2480.2 Ų80.225%0.24744%0.435CS..  trans59.417.8-167.700000111.6T8 N195 R199T8-G197 WeakPolarHBondContact CB-O 3.29Å; T8-G197 WeakPolarHBondContact CG2-O 3.44Å; T8-G197 PolarHBondContact N-O 3.1Å; T8-G197 WeakPolarHBondContact OG1-CA 3.46Å; T8-G197 PolarHBondContact OG1-O 3.31Å; N195-G197 PolarHBondContact O-N 2.95Å; G197-R199 PolarHBondContact O-N 2.84Å
198E50.5Low54.9Low53 Ų5391 Ų9125%0.24848%0.475CS..EExtended strand (participates in β ladder)trans-73.885.2170.5-75.7165.3-174.800106W5 R196W5-E198 HydrophobicContact CE3-CB 4.01Å; R196-E198 HydrophobicContact CB-CB 4.49Å; R196-E198 HydrophobicContact CB-CG 3.96Å; R196-E198 PolarHBondContact O-N 3.44Å; R196-E198 VanDerWaalsContact O-N 3.11Å
199R49.2Very low54Low150 Ų15092.6 Ų92.657%0.56649%0.487SS*.EExtended strand (participates in β ladder)trans-78.9136.8166.4-66.6-170.5-171.8-146.11.7106.5G197 I201 D203 V204G197-R199 PolarHBondContact O-N 2.84Å; R199-I201 PolarHBondContact O-N 3.47Å; R199-D203 HydrophobicContact CB-CB 4.13Å; R199-V204 HydrophobicContact CB-CG2 3.53Å; R199-V204 HydrophobicContact CG-CG2 4.49Å
200P52.2Low53.2Low38 Ų3893.2 Ų93.225%0.24750%0.497CS..EExtended strand (participates in β ladder)trans-48140165.5-22.130.8000108.7W5 E202 D203 V204W5-P200 HydrophobicContact CH2-CG 4.25Å; W5-P200 HydrophobicContact CZ3-CB 4.43Å; W5-P200 HydrophobicContact CZ3-CG 3.83Å; P200-E202 HydrophobicContact CB-CB 4.5Å; P200-E202 PolarHBondContact O-N 2.91Å; P200-D203 WeakPolarHBondContact CD-OD2 3.22Å; P200-D203 WeakPolarHBondContact O-CB 3.45Å; P200-D203 PolarHBondContact O-N 3.13Å; P200-V204 PolarHBondContact O-N 3.38Å
201I54.8Low52.5Low51 Ų5198.2 Ų98.226%0.26253%0.529SS..Hα-helixtrans-49.6-33.3175.7-79177.9000111.5E4 V6 R199 D203 V204 L205E4-I201 HydrophobicContact CB-CD1 3.35Å; E4-I201 VanDerWaalsContact O-CD1 3.25Å; E4-I201 WeakPolarHBondContact O-CD1 3.38Å; E4-I201 WeakPolarHBondContact O-CG1 3.3Å; V6-I201 HydrophobicContact CB-CG1 4.48Å; V6-I201 HydrophobicContact CG2-CD1 3.97Å; V6-I201 HydrophobicContact CG2-CG1 3.57Å; R199-I201 PolarHBondContact O-N 3.47Å; I201-D203 VanDerWaalsContact C-N 3.29Å; I201-D203 PolarHBondContact O-N 3.22Å; I201-V204 PolarHBondContact O-N 3.04Å; I201-V204 VanDerWaalsContact O-N 3.14Å; I201-L205 HydrophobicContact CB-CD1 4.43Å; I201-L205 HydrophobicContact CG2-CD1 3.31Å; I201-L205 PolarHBondContact O-N 2.99Å
202E57.8Low51.9Low135 Ų135104.5 Ų104.563%0.63155%0.549SS*.Hα-helixtrans-58.5-34.9175.2-69.9168.3143.400113.4P200P200-E202 HydrophobicContact CB-CB 4.5Å; P200-E202 PolarHBondContact O-N 2.91Å
203D58.6Low51.8Low108 Ų108113.4 Ų113.458%0.57857%0.565SS**Hα-helixtrans-81.2-23.7176.6-77.5-19.9000112.8R199 P200 I201R199-D203 HydrophobicContact CB-CB 4.13Å; P200-D203 WeakPolarHBondContact CD-OD2 3.22Å; P200-D203 WeakPolarHBondContact O-CB 3.45Å; P200-D203 PolarHBondContact O-N 3.13Å; I201-D203 VanDerWaalsContact C-N 3.29Å; I201-D203 PolarHBondContact O-N 3.22Å
204V56.1Low52.3Low70 Ų70120.5 Ų120.542%0.42459%0.589SS.*Hα-helixtrans-89.5-40.4-178.2-176.40000111.8T8 R199 P200 I201 G206T8-V204 HydrophobicContact CG2-CG2 4.29Å; R199-V204 HydrophobicContact CB-CG2 3.53Å; R199-V204 HydrophobicContact CG-CG2 4.49Å; P200-V204 PolarHBondContact O-N 3.38Å; I201-V204 PolarHBondContact O-N 3.04Å; I201-V204 VanDerWaalsContact O-N 3.14Å; V204-G206 PolarHBondContact O-N 2.79Å
205L61.2Low52.6Low126 Ų126115.3 Ų115.366%0.6659%0.585SS**SBendtrans-78.5-8.6176.2-87.6105.1000113.3I201I201-L205 HydrophobicContact CB-CD1 4.43Å; I201-L205 HydrophobicContact CG2-CD1 3.31Å; I201-L205 PolarHBondContact O-N 2.99Å
206G53.8Low53Low30 Ų30122.1 Ų122.131%0.30960%0.604SS.*  trans60.5174-169.400000111.6V204 R208V204-G206 PolarHBondContact O-N 2.79Å; G206-R208 PolarHBondContact O-N 2.82Å
207P59.7Low53.2Low132 Ų132130.4 Ų130.486%0.85764%0.635SS**SBendtrans-60.8108.6168.96.21000107.2S209P207-S209 PolarHBondContact O-N 2.05Å
208R51.2Low53.8Low228 Ų228134.9 Ų134.986%0.8666%0.657SS**  trans-48.9109.4166.4-160.2178.8-166.2177.54.2105G206 Q210G206-R208 PolarHBondContact O-N 2.82Å; R208-Q210 PolarHBondContact O-N 2.73Å
209S51.6Low54.1Low106 Ų106139.9 Ų139.974%0.74168%0.68SS**  trans-43.4112.5179.651.40000107P207P207-S209 PolarHBondContact O-N 2.05Å
210Q48.9Very low54.5Low173 Ų173138.6 Ų138.681%0.80869%0.689SS**  trans-51137.4173.2-72.8-154.82.700106.8R208 K212R208-Q210 PolarHBondContact O-N 2.73Å; Q210-K212 PolarHBondContact O-N 2.79Å
211P45.9Very low54.3Low121 Ų121142.5 Ų142.579%0.78671%0.714SS**  trans-52121.2172.722.4-30.8000106.4R213P211-R213 PolarHBondContact O-N 3.19Å
212K42Very low54Low202 Ų202145.4 Ų145.488%0.87874%0.739SS**  trans-46.6111.9179.6-150.4178.6-170.4-1790105.8Q210 E214Q210-K212 PolarHBondContact O-N 2.79Å; K212-E214 PolarHBondContact O-N 3.04Å
213R48.6Very low53.6Low242 Ų242147.1 Ų147.191%0.91375%0.751SS**  trans-50115.2177.7-116.3-178.1178.3-173.6-0106.1P211P211-R213 PolarHBondContact O-N 3.19Å
214E58.3Low52.9Low182 Ų182147.2 Ų147.285%0.8576%0.761SS**  trans-52.9127.1178.3-152.1169.6174.900107K212 R216K212-E214 PolarHBondContact O-N 3.04Å; E214-R216 PolarHBondContact O-N 2.8Å
215P53.1Low52.3Low118 Ų118155 Ų15577%0.76678%0.782SS**  trans-58.6117.3-179.822.2-30.1000107.3R217P215-R217 PolarHBondContact O-N 2.97Å
216R58.1Low51.3Low238 Ų238154.5 Ų154.590%0.89879%0.787SS**  trans-49.6113177.4-169.3-178.4-144.5171.34.8107.7E214 V218E214-R216 PolarHBondContact O-N 2.8Å; R216-V218 PolarHBondContact O-N 3.11Å
217R54.7Low50.4Low211 Ų211164.9 Ų164.980%0.79682%0.817SS**  trans-55.4115172.9-178.7-178.3-89.3-160.7-4.3106.8P215 E219P215-R217 PolarHBondContact O-N 2.97Å; R217-E219 PolarHBondContact O-N 3.44Å
218V63.9Low49.3Very low118 Ų118164.2 Ų164.272%0.71582%0.815SS**  trans-76.2109.6169.4177.90000105.7R216 V220R216-V218 PolarHBondContact O-N 3.11Å; V218-V220 PolarHBondContact O-N 2.79Å; V218-V220 VanDerWaalsContact O-N 3.08Å
219E56.3Low48.6Very low159 Ų159158.8 Ų158.874%0.74381%0.812SS**  trans-61.9107.6165.2-123.492-143.400107.4R217R217-E219 PolarHBondContact O-N 3.44Å
220V57.5Low47.7Very low122 Ų122158.4 Ų158.474%0.73982%0.816SS**  trans-79.8128.5167.3-91.10000108.4V218 S222V218-V220 PolarHBondContact O-N 2.79Å; V218-V220 VanDerWaalsContact O-N 3.08Å; V220-S222 PolarHBondContact O-N 3.16Å
221P47.4Very low46.7Very low121 Ų121154.7 Ų154.779%0.78682%0.815SS**  trans-59128.4176.1-21.231.4000110.7L223P221-L223 PolarHBondContact O-N 2.9Å
222S48.5Very low46.3Very low111 Ų111154.2 Ų154.278%0.77681%0.814SS**  trans-71.2108.8171.549.50000109.4V220 S224V220-S222 PolarHBondContact O-N 3.16Å; S222-S224 VanDerWaalsContact C-N 3.34Å; S222-S224 PolarHBondContact O-N 3.17Å
223L49.8Very low45.9Very low171 Ų171150 Ų15090%0.89581%0.81SS**  trans-73.792.4163.9-84.3160.2000108.1P221 R225P221-L223 PolarHBondContact O-N 2.9Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-R225 PolarHBondContact O-N 3.47Å
224S44Very low45.1Very low110 Ų110148.9 Ų148.977%0.76981%0.807SS**  trans-68.592.9164.642.70000109S222 P226S222-S224 VanDerWaalsContact C-N 3.34Å; S222-S224 PolarHBondContact O-N 3.17Å; S224-P226 VanDerWaalsContact O-CD 3.29Å; S224-P226 WeakPolarHBondContact O-CD 3.1Å
225R44.2Very low44.1Very low234 Ų234146.4 Ų146.488%0.88381%0.807SS**  trans-87.4110.8168.3-165176.5-156.9173.85.9108.5L223 R227L223-R225 VanDerWaalsContact C-N 3.35Å; L223-R225 PolarHBondContact O-N 3.47Å; R225-R227 PolarHBondContact O-N 3.3Å
226P39.8Very low43Very low116 Ų116145.2 Ų145.275%0.75381%0.807SS**  trans-68.6127.4171.625.9-29.7000109.3S224 S228S224-P226 VanDerWaalsContact O-CD 3.29Å; S224-P226 WeakPolarHBondContact O-CD 3.1Å; P226-S228 PolarHBondContact O-N 3.09Å
227R35Very low41.6Very low247 Ų247139 Ų13993%0.93280%0.801SS**  trans-85.697.8175.2-172176.9-172.1165.11107.8R225R225-R227 PolarHBondContact O-N 3.3Å
228S36.2Very low40.5Very low119 Ų119136.1 Ų136.183%0.83280%0.801SS**  trans-83.9120164.7400000109.5P226P226-S228 PolarHBondContact O-N 3.09Å
229S36.9Very low38.8Very low113 Ų113140.4 Ų140.479%0.7980%0.804SS**  trans-88.4121.8168.146.90000109.6
230A32.2Very low37.5Very low99 Ų99141.2 Ų141.282%0.81881%0.808SS**  trans-177.9125.4144.700000112.3
231A29.3Very low36.2Very low95 Ų95140.3 Ų140.379%0.78581%0.807SS**  trans45.6112.4136.800000121.4
232S36.2Very low35.7Very low110 Ų110140.4 Ų140.477%0.76981%0.805SS**  33.4117.1119.2175.80000118.7
233S33.7Very low34.9Very low115 Ų115141.4 Ų141.480%0.80480%0.802SS**  -165.7126.3126.735.90000110.4
234Y31.2Very low34.1Very low217 Ų217140.1 Ų140.185%0.85180%0.796SS**  trans-68.7163.2162.8-67.7-92000109.5
235P37.6Very low33.6Very low131 Ų131142.3 Ų142.385%0.85180%0.799SS**  -134.4150.4105.934.6-23.6000113.9
236A30Very low33.2Very low93 Ų93138.6 Ų138.677%0.76979%0.793SS**  trans-98.2145.4173.800000110.9
237S29.4Very low33.1Very low108 Ų108140.6 Ų140.676%0.75580%0.798SS**  trans-170.9105.3146.455.60000108.3
238N30.7Very low33.1Very low150 Ų150134.1 Ų134.180%0.80279%0.785SS**  66.213089.7-83.6-3.1000112.7
239R28.3Very low33Very low208 Ų208134.1 Ų134.179%0.78579%0.785SS**  cis-155.41566.7-82.1152.779.691.5-1.4105.3
240E28.8Very low32.7Very low175 Ų175138 Ų13882%0.81879%0.788SS**  -178.2111.386.9-92.5168.499.100106.7
241S30.9Very low33.3Very low104 Ų104139.2 Ų139.273%0.72779%0.788SS**  83.9119.5105.668.80000116.2
242V36.6Very low33.5Very low122 Ų122146.3 Ų146.374%0.73979%0.794SS**  trans132.294.9138-177.60000112.7
243D32.3Very low33.5Very low133 Ų133145.4 Ų145.471%0.71179%0.794SS**  trans38.2109.1133.7-47.8-32.3000118.6
244D32.1Very low33.5Very low143 Ų143150.1 Ų150.177%0.76580%0.8SS**  83.8103.299.8-84-54.1000112.9
245D35.3Very low33.8Very low157 Ų157145 Ų14584%0.8480%0.795SS**  -179.2147.4103-110.9-48.7000112.1
246M35.8Very low34Very low155 Ų155144.9 Ų144.976%0.76480%0.795SS**  trans-62.9140.8-172-68.9-87.6-162.800114.5
247D36.1Very low34.3Very low158 Ų158144.6 Ų144.685%0.84580%0.801SS**  176.8138.998.7-98.4-38.7000112.9
248V35.2Very low34.5Very low111 Ų111143.8 Ų143.867%0.67380%0.8SS**  trans-96.3137-169.2-173.50000110
249S33.6Very low34.6Very low119 Ų119148.4 Ų148.483%0.83281%0.807SS**  172.2137.8129.2-80.90000115.1
250F31.8Very low34.8Very low194 Ų194144.7 Ų144.785%0.85181%0.813SS**  trans-77.4172.4-173.5-81.4-84.8000114.6
251P43.8Very low34.9Very low125 Ų125139.2 Ų139.281%0.81280%0.803SS**  trans-93156.1-149.336.7-34.9000114.7
252R34.2Very low34.9Very low244 Ų244138.5 Ų138.592%0.92180%0.803SS**  trans-113.7127.3172.2-165.8168.1-17592.9-1.1111.8
253A35.7Very low34.7Very low91 Ų91140.3 Ų140.375%0.75281%0.809SS**PPolyproline II helixtrans-58.7141.6175.500000112.7
254K35Very low34.9Very low215 Ų215141.6 Ų141.694%0.93582%0.816SS**PPolyproline II helixtrans-75.8122.9175.2-100.7174.7175.7173.30111.1
255S37.5Very low35.8Very low108 Ų108140.1 Ų140.176%0.75581%0.814SS**PPolyproline II helixtrans-81.8153.6161.1-45.90000110.5
256P40.2Very low35.6Very low130 Ų130138.4 Ų138.484%0.84482%0.815SS**PPolyproline II helixtrans-77.2134.3176.119.5-10.5000111.2
257G36.7Very low35.7Very low86 Ų86140.1 Ų140.189%0.88782%0.818SS**PPolyproline II helixtrans-75.2146.3178.600000113
258A33.6Very low35.7Very low91 Ų91139.4 Ų139.475%0.75282%0.82SS**  trans-108.9147.9176.900000112
259R33.8Very low35.7Very low247 Ų247136.2 Ų136.293%0.93281%0.81SS**  trans72.3124.1147.9-74.8177.6175.6176.3-1121.6
260S31.3Very low36.1Very low130 Ų130142.3 Ų142.391%0.90981%0.814SS**  176.9141.6107-171.30000108
261G30.8Very low36.8Very low60 Ų60138 Ų13862%0.61981%0.806SS**  cis-162.5150.26.400000108.9
262A32.4Very low36.8Very low89 Ų89142.9 Ų142.974%0.73681%0.809SS**  81.297.1116.200000115.4
263N31.3Very low36.9Very low161 Ų161139.5 Ų139.586%0.86181%0.81SS**  176.1116.7109.9-80.1-15.2000110.1
264N37.3Very low37.2Very low160 Ų160138.9 Ų138.986%0.85681%0.805SS**  trans-124.3173.2166.1-115.7-0.1000105
265P50.6Low37.3Very low111 Ų111135.9 Ų135.972%0.72180%0.799SS**  cis-140.2177.2-6.933.7-13000113.4
266S31.3Very low37.4Very low122 Ų122142.8 Ų142.885%0.85383%0.826SS**  trans-163.793.7130.560.50000110.3
267F38Very low37.2Very low190 Ų190143.4 Ų143.483%0.83383%0.825SS**  trans-101120.7162.7-168.6-88.8000106.7
268T34.8Very low37.3Very low143 Ų143146.4 Ų146.488%0.87782%0.822SS**  trans-134.189.4158.846.90000107.8
269G37Very low37.5Very low45 Ų45149.5 Ų149.546%0.46483%0.825SS.*  trans-95144.4148.800000108.6
270R41.6Very low37.7Very low247 Ų247143.8 Ų143.893%0.93282%0.819SS**  trans-172.3164.1144.5-106.2-168.2-169.1-155.64111.4
271P46Very low38.1Very low103 Ų103144.6 Ų144.667%0.66981%0.814SS**  -121-177.1-128.117.99.3000113.4
272Y44.4Very low38.6Very low227 Ų227150.3 Ų150.389%0.8983%0.827SS**  trans-0.2138.1162.8-67-87.6000120.2
273D36.3Very low39Very low174 Ų174154.6 Ų154.693%0.9383%0.833SS**  trans-155.7152.7133.2-107.2-29.8000113.2
274A41.2Very low39.6Very low78 Ų78154.2 Ų154.265%0.64583%0.831SS**  trans-91.3177.9-171.400000113.8
275D38Very low39.8Very low152 Ų152153.7 Ų153.781%0.81383%0.829SS**  trans70.8102158.9-57.3-22.5000119.4
276L38.3Very low38.8Very low252 Ų252157.5 Ų157.5100%1.31984%0.839SS**  -162.30116.8-134.188.1000111.4

Retrieved 276 of 276 residues in 47.4 ms (Link to these results)

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