A0A087Y214_POEFO Loading...

Solute carrier family 25 member 12

AlphaFold DB , UniProt , Accession A0A087Y214, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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
1M26.6Very low47.2Very low242 Ų242127.5 Ų127.5100%1.19267%0.669SS**  01210-88.9-178.5162.600107.8V3M1-V3 PolarHBondContact O-N 3.32Å
2A23.1Very low50.4Low105 Ų105123.8 Ų123.887%0.86865%0.651SS**  trans-69.7120.3174.900000108.7K4A2-K4 PolarHBondContact O-N 3.27Å; A2-K4 VanDerWaalsContact O-N 3.15Å
3V26.2Very low53.2Low114 Ų114119.5 Ų119.569%0.69164%0.635SS**  trans-62.5114171.3177.10000106.7M1 V5M1-V3 PolarHBondContact O-N 3.32Å; V3-V5 PolarHBondContact O-N 2.99Å
4K26.6Very low55.5Low200 Ų200119.1 Ų119.187%0.8763%0.633SS**  trans-63.8104.9169.5-107.8-179.2174.7-179.40106.7A2 Q6A2-K4 PolarHBondContact O-N 3.27Å; A2-K4 VanDerWaalsContact O-N 3.15Å; K4-Q6 PolarHBondContact O-N 2.76Å
5V36.6Very low57.6Low132 Ų132117.4 Ų117.480%0.862%0.62SS**  trans-64.3105.5170.1-178.80000106.3V3 A7V3-V5 PolarHBondContact O-N 2.99Å; V5-A7 PolarHBondContact O-N 3.21Å
6Q40.9Very low59.4Low132 Ų132110.1 Ų110.162%0.61758%0.581SS**  trans-70.499.3172-110.2173.3-12.100107.1K4K4-Q6 PolarHBondContact O-N 2.76Å
7A52Low61.2Low81 Ų81110.1 Ų110.167%0.66958%0.575SS**PPolyproline II helixtrans-60143.6169.900000109.6V5 R9V5-A7 PolarHBondContact O-N 3.21Å; A7-R9 PolarHBondContact O-N 3.14Å
8T61.5Low62.8Low42 Ų42109.7 Ų109.726%0.25858%0.578SS.*PPolyproline II helixtrans-54.8128.4177.1-15.90000109.6R10 L644T8-R10 PolarHBondContact O-N 3.18Å; T8-L644 HydrophobicContact CG2-CD1 3.59Å; T8-L644 HydrophobicContact CG2-CG 4.17Å
9R68.4Low64.2Low224 Ų224104.5 Ų104.585%0.84555%0.551SS**PPolyproline II helixtrans-68.1123-179.9-172.4177.9178.6-179.6-1.7109A7 G640A7-R9 PolarHBondContact O-N 3.14Å; R9-G640 WeakPolarHBondContact O-CA 3.34Å
10R76.1Confident65.5Low117 Ų11799.5 Ų99.544%0.44252%0.524SS..PPolyproline II helixtrans-57.5143.2174.6-63.8-65.4-63.2-94.9-1.9111.1T8 E81 S82T8-R10 PolarHBondContact O-N 3.18Å; R10-E81 IonicContact CZ-OE2 2.59Å; R10-E81 IonicContact NE-OE1 2.83Å; R10-E81 IonicContact NE-OE2 3.86Å; R10-E81 PolarHBondContact NE-OE2 3.24Å; R10-E81 IonicContact NH2-OE2 2.82Å; R10-E81 PolarHBondContact NH2-OE2 3.09Å; R10-E81 VanDerWaalsContact NH2-OE2 3.09Å; R10-S82 PolarHBondContact NH1-OG 3.35Å; R10-S82 VanDerWaalsContact NH2-CB 3.25Å; R10-S82 PolarHBondContact NH2-OG 3.29Å
11A81.7Confident66.7Low13 Ų1398.7 Ų98.711%0.10752%0.52CS..PPolyproline II helixtrans-70.5156.4172.500000112.1P13 L16 E81 V639A11-P13 WeakPolarHBondContact O-CD 3.33Å; A11-L16 HydrophobicContact CB-CD1 3.83Å; A11-L16 HydrophobicContact CB-CD2 3.81Å; A11-L16 HydrophobicContact CB-CG 3.68Å; A11-E81 HydrophobicContact CB-CG 4.39Å; A11-E81 PolarHBondContact N-OE1 3.49Å; A11-V639 HydrophobicContact CB-CB 4.24Å; A11-V639 HydrophobicContact CB-CG1 3.79Å
12D85.5Confident69.7Low84 Ų8493.3 Ų93.345%0.44949%0.49SS..PPolyproline II helixtrans-72.4124.8169-173.3-23.2000109.2N14 E15 L16D12-N14 PolarHBondContact O-N 3.05Å; D12-N14 VanDerWaalsContact O-N 3.15Å; D12-N14 PolarHBondContact OD1-N 3.06Å; D12-N14 PolarHBondContact OD1-ND2 2.82Å; D12-E15 HydrophobicContact CB-CB 4.08Å; D12-E15 WeakPolarHBondContact O-CB 3.25Å; D12-E15 PolarHBondContact O-N 3.26Å; D12-E15 VanDerWaalsContact O-N 3.11Å; D12-L16 PolarHBondContact O-N 3.4Å
13P86.3Confident72.9Confident68 Ų6890.3 Ų90.344%0.44246%0.456SS..Hα-helixtrans-54.1-31.6177.2-27.935.8000114.4A11 K17 L78A11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-K17 WeakPolarHBondContact O-CB 3.12Å; P13-K17 PolarHBondContact O-N 3.03Å; P13-L78 HydrophobicContact CB-CD1 4.04Å; P13-L78 HydrophobicContact CG-CD1 4.47Å
14N85.8Confident76Confident114 Ų11485.5 Ų85.561%0.6143%0.429SS*.Hα-helixtrans-73.1-36.4179.9-64.5-49.9000112.2D12 K17 T18D12-N14 PolarHBondContact O-N 3.05Å; D12-N14 VanDerWaalsContact O-N 3.15Å; D12-N14 PolarHBondContact OD1-N 3.06Å; D12-N14 PolarHBondContact OD1-ND2 2.82Å; N14-K17 PolarHBondContact O-N 3.12Å; N14-T18 PolarHBondContact O-N 3.19Å; N14-T18 PolarHBondContact O-OG1 3.45Å
15E86.8Confident79.1Confident93 Ų9379.5 Ų79.544%0.43541%0.412SS..Hα-helixtrans-67.5-46174.2-170.5175.6-168.700109.9D12 K17 T18 I19 V639D12-E15 HydrophobicContact CB-CB 4.08Å; D12-E15 WeakPolarHBondContact O-CB 3.25Å; D12-E15 PolarHBondContact O-N 3.26Å; D12-E15 VanDerWaalsContact O-N 3.11Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.38Å; E15-T18 WeakPolarHBondContact O-CB 3.39Å; E15-T18 PolarHBondContact O-N 3.42Å; E15-T18 VanDerWaalsContact O-N 3.14Å; E15-I19 HydrophobicContact CG-CD1 4.06Å; E15-I19 WeakPolarHBondContact O-CD1 3.45Å; E15-I19 WeakPolarHBondContact O-CG1 3.48Å; E15-I19 PolarHBondContact O-N 3.32Å; E15-V639 HydrophobicContact CG-CG2 4.42Å
16L87.2Confident81.7Confident1 Ų175 Ų751%0.00538%0.384CS..Hα-helixtrans-58.3-38.9174.1-71.6179.5000112.5A11 D12 T18 I19 F20 F74 F77 E81 Y642A11-L16 HydrophobicContact CB-CD1 3.83Å; A11-L16 HydrophobicContact CB-CD2 3.81Å; A11-L16 HydrophobicContact CB-CG 3.68Å; D12-L16 PolarHBondContact O-N 3.4Å; L16-T18 VanDerWaalsContact C-N 3.35Å; L16-I19 PolarHBondContact O-N 3.28Å; L16-F20 VanDerWaalsContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CB 3.4Å; L16-F20 PolarHBondContact O-N 3.09Å; L16-F74 HydrophobicContact CB-CE2 4.35Å; L16-F77 HydrophobicContact CB-CE1 4.37Å; L16-F77 HydrophobicContact CD2-CE1 4.02Å; L16-E81 HydrophobicContact CD1-CB 4.24Å; L16-E81 HydrophobicContact CD1-CG 4.05Å; L16-Y642 HydrophobicContact CD2-CD2 4.12Å; L16-Y642 HydrophobicContact CD2-CE2 4.37Å
17K89.1Confident84Confident110 Ų11072.8 Ų72.848%0.47838%0.38SS..Hα-helixtrans-64.6-40.8177.2-169.1171.2-178.4173.50112.1P13 N14 E15 I19 F20 L21 F74P13-K17 WeakPolarHBondContact O-CB 3.12Å; P13-K17 PolarHBondContact O-N 3.03Å; N14-K17 PolarHBondContact O-N 3.12Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.38Å; K17-I19 VanDerWaalsContact C-N 3.33Å; K17-F20 PolarHBondContact O-N 3.24Å; K17-L21 HydrophobicContact CG-CD1 4.38Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.21Å; K17-F74 HydrophobicContact CB-CE1 4.3Å; K17-F74 HydrophobicContact CB-CE2 3.71Å; K17-F74 HydrophobicContact CB-CZ 3.56Å; K17-F74 HydrophobicContact CD-CE1 4.33Å; K17-F74 HydrophobicContact CD-CZ 4.41Å; K17-F74 HydrophobicContact CG-CE1 4.31Å; K17-F74 HydrophobicContact CG-CE2 4.13Å; K17-F74 HydrophobicContact CG-CZ 4.01Å
18T89.6Confident85.8Confident102 Ų10273.9 Ų73.963%0.62637%0.371SS*.Hα-helixtrans-64.9-41.5177.4-53.80000110.8N14 E15 L16 K22N14-T18 PolarHBondContact O-N 3.19Å; N14-T18 PolarHBondContact O-OG1 3.45Å; E15-T18 WeakPolarHBondContact O-CB 3.39Å; E15-T18 PolarHBondContact O-N 3.42Å; E15-T18 VanDerWaalsContact O-N 3.14Å; L16-T18 VanDerWaalsContact C-N 3.35Å; T18-K22 PolarHBondContact O-N 3.35Å
19I89.2Confident86.9Confident12 Ų1280.1 Ų80.16%0.06240%0.403CS..Hα-helixtrans-65.5-48.7175.6-66.8159.8000110.4E15 L16 K17 L21 K22 Y23 Y43 D637 V639E15-I19 HydrophobicContact CG-CD1 4.06Å; E15-I19 WeakPolarHBondContact O-CD1 3.45Å; E15-I19 WeakPolarHBondContact O-CG1 3.48Å; E15-I19 PolarHBondContact O-N 3.32Å; L16-I19 PolarHBondContact O-N 3.28Å; K17-I19 VanDerWaalsContact C-N 3.33Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 2.92Å; I19-K22 WeakPolarHBondContact O-CB 3.41Å; I19-K22 PolarHBondContact O-N 2.93Å; I19-Y23 HydrophobicContact CG2-CD2 4.15Å; I19-Y23 HydrophobicContact CG2-CE2 4.1Å; I19-Y23 VanDerWaalsContact O-CD2 3.29Å; I19-Y23 WeakPolarHBondContact O-CD2 3.43Å; I19-Y23 PolarHBondContact O-N 3.41Å; I19-Y43 HydrophobicContact CG2-CD2 4.28Å; I19-Y43 HydrophobicContact CG2-CE2 3.54Å; I19-D637 WeakPolarHBondContact CD1-O 3.17Å; I19-D637 HydrophobicContact CG2-CB 4.33Å; I19-V639 HydrophobicContact CD1-CB 4.34Å; I19-V639 HydrophobicContact CD1-CG2 3.67Å
20F91.1Very high87.6Confident4 Ų472.6 Ų72.62%0.01840%0.395CS..Hα-helixtrans-55-48.3179.3177.6-93.9000111.9L16 K17 K22 Y23 A24 H32 M34 F74 F77L16-F20 VanDerWaalsContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CB 3.4Å; L16-F20 PolarHBondContact O-N 3.09Å; K17-F20 PolarHBondContact O-N 3.24Å; F20-K22 PolarHBondContact O-N 3.39Å; F20-Y23 PolarHBondContact O-N 3Å; F20-Y23 VanDerWaalsContact O-N 3.1Å; F20-A24 HydrophobicContact CD1-CB 4.35Å; F20-A24 HydrophobicContact CE1-CB 4.01Å; F20-A24 HydrophobicContact CZ-CB 4.29Å; F20-A24 WeakPolarHBondContact O-CB 3.26Å; F20-A24 PolarHBondContact O-N 3.42Å; F20-H32 HydrophobicContact CE1-CB 4.11Å; F20-H32 VanDerWaalsContact CE1-O 3.22Å; F20-H32 WeakPolarHBondContact CE1-O 3.3Å; F20-H32 VanDerWaalsContact CZ-O 3.29Å; F20-H32 WeakPolarHBondContact CZ-O 3.42Å; F20-M34 HydrophobicContact CD2-CG 3.96Å; F20-M34 HydrophobicContact CD2-SD 3.49Å; F20-M34 WeakPolarHBondContact CD2-SD 3.05Å; F20-M34 HydrophobicContact CE2-CB 4.43Å; F20-M34 HydrophobicContact CE2-CG 3.55Å; F20-M34 HydrophobicContact CE2-SD 3.63Å; F20-M34 HydrophobicContact CG-SD 4.46Å; F20-M34 HydrophobicContact CZ-CG 4.1Å; F20-F74 HydrophobicContact CB-CD2 3.79Å; F20-F74 HydrophobicContact CB-CE2 4.25Å; F20-F74 HydrophobicContact CD1-CB 3.95Å; F20-F74 AromaticContact CD1-CD2 3.94Å; F20-F74 HydrophobicContact CD1-CD2 3.94Å; F20-F74 HydrophobicContact CD1-CG 4.34Å; F20-F74 HydrophobicContact CD2-CD2 4.21Å; F20-F74 HydrophobicContact CE1-CB 3.8Å; F20-F74 HydrophobicContact CE2-CB 4.38Å; F20-F74 HydrophobicContact CG-CB 4.32Å; F20-F74 AromaticContact CG-CD2 3.71Å; F20-F74 HydrophobicContact CG-CD2 3.71Å; F20-F74 HydrophobicContact CG-CG 4.48Å; F20-F74 HydrophobicContact CZ-CB 4.03Å; F20-F74 VanDerWaalsContact CZ-N 3.34Å; F20-F77 HydrophobicContact CB-CD1 4.17Å; F20-F77 HydrophobicContact CB-CE1 4.28Å; F20-F77 HydrophobicContact CD2-CB 3.77Å; F20-F77 AromaticContact CD2-CD1 4Å; F20-F77 HydrophobicContact CD2-CD1 4Å; F20-F77 HydrophobicContact CD2-CD2 4.08Å; F20-F77 AromaticContact CD2-CG 3.69Å; F20-F77 HydrophobicContact CD2-CG 3.69Å; F20-F77 HydrophobicContact CE2-CB 4.03Å; F20-F77 HydrophobicContact CE2-CG 4.37Å
21L90.6Very high88.1Confident83 Ų8372.6 Ų72.644%0.43540%0.4SS..Hα-helixtrans-64.3-21.7178.1-69.1173.2000113.8K17 I19 H32K17-L21 HydrophobicContact CG-CD1 4.38Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.21Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 2.92Å; L21-H32 HydrophobicContact CD2-CB 3.87Å; L21-H32 VanDerWaalsContact CD2-CD2 3.5Å; L21-H32 WeakPolarHBondContact CD2-CD2 3.35Å
22K90.5Very high88.6Confident128 Ų12875.9 Ų75.956%0.55741%0.413SS*.Hα-helixtrans-72.5-30.5175.7-174.4-173.3176.9-169.90112.2T18 I19 F20 D637T18-K22 PolarHBondContact O-N 3.35Å; I19-K22 WeakPolarHBondContact O-CB 3.41Å; I19-K22 PolarHBondContact O-N 2.93Å; F20-K22 PolarHBondContact O-N 3.39Å; K22-D637 IonicContact NZ-OD1 2.75Å; K22-D637 PolarHBondContact NZ-OD1 3.21Å; K22-D637 IonicContact NZ-OD2 3.26Å; K22-D637 PolarHBondContact NZ-OD2 2.88Å
23Y89.8Confident88.9Confident42 Ų4273.7 Ų73.717%0.16540%0.399CS..Hα-helixtrans-109.2-17.3-175-66.3-85.6000113.9I19 F20 S25 D38 N42 Y43 D637I19-Y23 HydrophobicContact CG2-CD2 4.15Å; I19-Y23 HydrophobicContact CG2-CE2 4.1Å; I19-Y23 VanDerWaalsContact O-CD2 3.29Å; I19-Y23 WeakPolarHBondContact O-CD2 3.43Å; I19-Y23 PolarHBondContact O-N 3.41Å; F20-Y23 PolarHBondContact O-N 3Å; F20-Y23 VanDerWaalsContact O-N 3.1Å; Y23-S25 PolarHBondContact O-N 3.43Å; Y23-D38 WeakPolarHBondContact O-CB 3.38Å; Y23-N42 HydrophobicContact CD1-CB 4.2Å; Y23-Y43 AromaticContact CD2-CD2 3.75Å; Y23-Y43 HydrophobicContact CD2-CD2 3.75Å; Y23-Y43 HydrophobicContact CD2-CE2 4.44Å; Y23-Y43 HydrophobicContact CE1-CD2 4.49Å; Y23-Y43 AromaticContact CE2-CD2 3.69Å; Y23-Y43 HydrophobicContact CE2-CD2 3.69Å; Y23-Y43 HydrophobicContact CE2-CE2 4.23Å; Y23-Y43 HydrophobicContact CG-CD2 4.24Å; Y23-D637 HydrophobicContact CE2-CB 4.13Å; Y23-D637 PolarHBondContact OH-OD2 3.44Å
24A91.3Very high89.2Confident14 Ų1470.4 Ų70.412%0.11638%0.378CS..  trans-68.3114.7176.200000111.3F20 H32 Y33 M34F20-A24 HydrophobicContact CD1-CB 4.35Å; F20-A24 HydrophobicContact CE1-CB 4.01Å; F20-A24 HydrophobicContact CZ-CB 4.29Å; F20-A24 WeakPolarHBondContact O-CB 3.26Å; F20-A24 PolarHBondContact O-N 3.42Å; A24-H32 HydrophobicContact CB-CB 3.89Å; A24-Y33 WeakPolarHBondContact CA-O 3.38Å; A24-Y33 WeakPolarHBondContact CB-O 3.28Å; A24-M34 HydrophobicContact CB-CG 3.96Å
25S90.5Very high89.6Confident73 Ų7366.7 Ų66.751%0.5136%0.359SS..  trans-97.3-23-178.269.50000113.7Y23 Y33 D38Y23-S25 PolarHBondContact O-N 3.43Å; S25-Y33 PolarHBondContact N-O 3.44Å; S25-D38 WeakPolarHBondContact CB-OD2 3.16Å; S25-D38 PolarHBondContact OG-OD2 3.36Å
26V91.4Very high89.7Confident37 Ų3763.9 Ų63.922%0.22435%0.349CS..EExtended strand (participates in β ladder)trans-100.6142-174.9175.80000110.2E28 H32 Y33 T35 L71V26-E28 HydrophobicContact CG1-CG 3.99Å; V26-H32 CarbonylContact O-C 3.53Å; V26-H32 WeakPolarHBondContact O-CA 3.41Å; V26-Y33 PolarHBondContact N-O 3.47Å; V26-Y33 PolarHBondContact O-N 3.23Å; V26-T35 HydrophobicContact CG2-CG2 3.48Å; V26-T35 VanDerWaalsContact CG2-CG2 3.48Å; V26-L71 HydrophobicContact CG1-CD1 4.25Å
27V90.3Very high89.7Confident86 Ų8664.7 Ų64.752%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-128.9114.9174.9-174.80000108.8E31 H32V27-E31 VanDerWaalsContact CA-O 3.3Å; V27-E31 WeakPolarHBondContact CA-O 3.4Å; V27-H32 WeakPolarHBondContact CG2-ND1 3.32Å
28E88.8Confident89.7Confident104 Ų10460.2 Ų60.249%0.48634%0.339SS..EExtended strand (participates in β ladder)trans-124.2133.1175.6-67.3-168.4168.700109V26 G30 E31 Y33V26-E28 HydrophobicContact CG1-CG 3.99Å; E28-G30 PolarHBondContact O-N 3Å; E28-E31 PolarHBondContact N-O 3.09Å; E28-E31 PolarHBondContact O-N 3.43Å; E28-Y33 HydrophobicContact CB-CD2 4.14Å; E28-Y33 HydrophobicContact CB-CE2 3.89Å
29D84.1Confident89.7Confident173 Ų17355.3 Ų55.393%0.92531%0.309SS*.THydrogen-bonded Turntrans51.126.8-179.1-64.4-28.8000115.7E31D29-E31 VanDerWaalsContact C-N 3.31Å
30G83.3Confident89.6Confident67 Ų6754.8 Ų54.869%0.69131%0.306SS*.THydrogen-bonded Turntrans82.53.8-178.600000114.6E28E28-G30 PolarHBondContact O-N 3Å
31E88.3Confident89.3Confident117 Ų11756.5 Ų56.555%0.54731%0.314SS..EExtended strand (participates in β ladder)trans-103.8146.3172.3-61-160.414900111.1V27 E28 D29 Y33V27-E31 VanDerWaalsContact CA-O 3.3Å; V27-E31 WeakPolarHBondContact CA-O 3.4Å; E28-E31 PolarHBondContact N-O 3.09Å; E28-E31 PolarHBondContact O-N 3.43Å; D29-E31 VanDerWaalsContact C-N 3.31Å; E31-Y33 HydrophobicContact CB-CE2 3.82Å; E31-Y33 WeakPolarHBondContact O-CD2 3.27Å; E31-Y33 PolarHBondContact OE2-OH 2.88Å
32H91Very high89.1Confident81 Ų8157.3 Ų57.338%0.37532%0.319SS..EExtended strand (participates in β ladder)trans-92137.4-179.6-74.1-88.5000110.7F20 L21 A24 V26 V27F20-H32 HydrophobicContact CE1-CB 4.11Å; F20-H32 VanDerWaalsContact CE1-O 3.22Å; F20-H32 WeakPolarHBondContact CE1-O 3.3Å; F20-H32 VanDerWaalsContact CZ-O 3.29Å; F20-H32 WeakPolarHBondContact CZ-O 3.42Å; L21-H32 HydrophobicContact CD2-CB 3.87Å; L21-H32 VanDerWaalsContact CD2-CD2 3.5Å; L21-H32 WeakPolarHBondContact CD2-CD2 3.35Å; A24-H32 HydrophobicContact CB-CB 3.89Å; V26-H32 CarbonylContact O-C 3.53Å; V26-H32 WeakPolarHBondContact O-CA 3.41Å; V27-H32 WeakPolarHBondContact CG2-ND1 3.32Å
33Y92.8Very high88.8Confident38 Ų3851.3 Ų51.315%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-129.8148.7179.6-64.8-91.1000111.4A24 S25 V26 E28 E31 L71A24-Y33 WeakPolarHBondContact CA-O 3.38Å; A24-Y33 WeakPolarHBondContact CB-O 3.28Å; S25-Y33 PolarHBondContact N-O 3.44Å; V26-Y33 PolarHBondContact N-O 3.47Å; V26-Y33 PolarHBondContact O-N 3.23Å; E28-Y33 HydrophobicContact CB-CD2 4.14Å; E28-Y33 HydrophobicContact CB-CE2 3.89Å; E31-Y33 HydrophobicContact CB-CE2 3.82Å; E31-Y33 WeakPolarHBondContact O-CD2 3.27Å; E31-Y33 PolarHBondContact OE2-OH 2.88Å; Y33-L71 HydrophobicContact CD1-CB 4.01Å; Y33-L71 HydrophobicContact CD1-CD1 4.41Å; Y33-L71 HydrophobicContact CG-CB 4.31Å; Y33-L71 HydrophobicContact CG-CD1 4.13Å
34M92Very high88.5Confident0 Ų049.5 Ų49.50%029%0.286CS..BIsolated β-bridgetrans-97.3135172-65.1-179.371.200110.3F20 A24 D38 F39 I72 F77F20-M34 HydrophobicContact CD2-CG 3.96Å; F20-M34 HydrophobicContact CD2-SD 3.49Å; F20-M34 WeakPolarHBondContact CD2-SD 3.05Å; F20-M34 HydrophobicContact CE2-CB 4.43Å; F20-M34 HydrophobicContact CE2-CG 3.55Å; F20-M34 HydrophobicContact CE2-SD 3.63Å; F20-M34 HydrophobicContact CG-SD 4.46Å; F20-M34 HydrophobicContact CZ-CG 4.1Å; A24-M34 HydrophobicContact CB-CG 3.96Å; M34-D38 HydrophobicContact CB-CB 4.17Å; M34-D38 HydrophobicContact CE-CB 4.1Å; M34-F39 HydrophobicContact CE-CB 4.12Å; M34-F39 HydrophobicContact CE-CD2 4.21Å; M34-I72 HydrophobicContact CB-CB 4.23Å; M34-I72 PolarHBondContact N-O 3.24Å; M34-I72 PolarHBondContact O-N 3.49Å; M34-F77 HydrophobicContact SD-CD2 3.98Å; M34-F77 HydrophobicContact SD-CE2 4.12Å
35T93.1Very high87.9Confident36 Ų3649.9 Ų49.922%0.22129%0.291CS..  trans-77.4164.6169.466.20000111.1V26 G37 D38 F39 L71V26-T35 HydrophobicContact CG2-CG2 3.48Å; V26-T35 VanDerWaalsContact CG2-CG2 3.48Å; T35-G37 PolarHBondContact O-N 3.02Å; T35-D38 WeakPolarHBondContact CB-OD2 3.33Å; T35-D38 PolarHBondContact N-OD2 3Å; T35-D38 PolarHBondContact O-N 3.2Å; T35-D38 PolarHBondContact OG1-N 3.11Å; T35-D38 VanDerWaalsContact OG1-N 3.15Å; T35-D38 PolarHBondContact OG1-OD2 3.16Å; T35-F39 PolarHBondContact O-N 2.92Å; T35-L71 HydrophobicContact CG2-CD2 4.35Å
36P90.3Very high87.2Confident33 Ų3347.7 Ų47.721%0.21427%0.274CS..Hα-helixtrans-53.5-37171.8-30.737.8000113.8V40 V57 A61 G70P36-V40 WeakPolarHBondContact O-CB 3.47Å; P36-V40 WeakPolarHBondContact O-CG2 3.43Å; P36-V40 PolarHBondContact O-N 3.09Å; P36-V57 HydrophobicContact CB-CG1 4.11Å; P36-A61 HydrophobicContact CB-CB 3.53Å; P36-A61 HydrophobicContact CG-CB 4.01Å; P36-G70 WeakPolarHBondContact CD-O 3.29Å
37G87.1Confident86.2Confident18 Ų1847.5 Ų47.519%0.18627%0.27CS..Hα-helixtrans-68.1-41.8175.100000112.7T35 F39 Q41 N42T35-G37 PolarHBondContact O-N 3.02Å; G37-F39 VanDerWaalsContact C-N 3.31Å; G37-F39 PolarHBondContact O-N 2.82Å; G37-Q41 WeakPolarHBondContact O-CA 3.42Å; G37-Q41 WeakPolarHBondContact O-CB 3.22Å; G37-Q41 PolarHBondContact O-N 3.35Å; G37-N42 PolarHBondContact O-N 2.95Å; G37-N42 VanDerWaalsContact O-N 3.08Å
38D89.4Confident85.2Confident16 Ų1648 Ų489%0.08627%0.274CS..Iπ-helixtrans-62.2-41.3177.7-63.5-36.4000112Y23 S25 M34 T35 N42 Y43Y23-D38 WeakPolarHBondContact O-CB 3.38Å; S25-D38 WeakPolarHBondContact CB-OD2 3.16Å; S25-D38 PolarHBondContact OG-OD2 3.36Å; M34-D38 HydrophobicContact CB-CB 4.17Å; M34-D38 HydrophobicContact CE-CB 4.1Å; T35-D38 WeakPolarHBondContact CB-OD2 3.33Å; T35-D38 PolarHBondContact N-OD2 3Å; T35-D38 PolarHBondContact O-N 3.2Å; T35-D38 PolarHBondContact OG1-N 3.11Å; T35-D38 VanDerWaalsContact OG1-N 3.15Å; T35-D38 PolarHBondContact OG1-OD2 3.16Å; D38-N42 WeakPolarHBondContact O-CB 3.45Å; D38-N42 PolarHBondContact OD1-ND2 3.02Å; D38-Y43 WeakPolarHBondContact O-CB 3.32Å; D38-Y43 PolarHBondContact O-N 3.18Å
39F89.6Confident84.4Confident0 Ų047.7 Ų47.70%027%0.272CS..Iπ-helixtrans-76.1-52.5-179-176.6-111.9000112.6M34 T35 G37 Y43 L44 A64 I72 F77 F80 Y642M34-F39 HydrophobicContact CE-CB 4.12Å; M34-F39 HydrophobicContact CE-CD2 4.21Å; T35-F39 PolarHBondContact O-N 2.92Å; G37-F39 VanDerWaalsContact C-N 3.31Å; G37-F39 PolarHBondContact O-N 2.82Å; F39-Y43 HydrophobicContact CD2-CD1 4.13Å; F39-Y43 HydrophobicContact CE2-CD1 4.14Å; F39-Y43 WeakPolarHBondContact O-CB 3.2Å; F39-L44 HydrophobicContact CD1-CD1 4.2Å; F39-L44 HydrophobicContact CE1-CD1 3.76Å; F39-L44 HydrophobicContact CZ-CD1 3.95Å; F39-L44 HydrophobicContact CZ-CG 4.47Å; F39-L44 WeakPolarHBondContact O-CB 3.36Å; F39-L44 WeakPolarHBondContact O-CG 3.42Å; F39-L44 PolarHBondContact O-N 2.99Å; F39-A64 HydrophobicContact CD1-CB 4.45Å; F39-A64 HydrophobicContact CE1-CB 3.78Å; F39-A64 HydrophobicContact CZ-CB 3.85Å; F39-I72 HydrophobicContact CB-CD1 3.58Å; F39-I72 HydrophobicContact CD1-CD1 3.61Å; F39-I72 HydrophobicContact CD2-CD1 4.12Å; F39-I72 HydrophobicContact CE1-CD1 4.3Å; F39-I72 HydrophobicContact CG-CD1 3.5Å; F39-I72 VanDerWaalsContact CG-CD1 3.5Å; F39-F77 HydrophobicContact CD2-CD2 4.24Å; F39-F77 HydrophobicContact CD2-CE2 4.23Å; F39-F77 HydrophobicContact CE2-CD2 4.01Å; F39-F77 AromaticContact CE2-CE2 4Å; F39-F77 HydrophobicContact CE2-CE2 4Å; F39-F80 HydrophobicContact CE1-CE1 4.44Å; F39-F80 AromaticContact CZ-CD1 3.78Å; F39-F80 HydrophobicContact CZ-CD1 3.78Å; F39-F80 AromaticContact CZ-CE1 3.8Å; F39-F80 HydrophobicContact CZ-CE1 3.8Å; F39-Y642 AromaticContact CE2-CE1 3.74Å; F39-Y642 HydrophobicContact CE2-CE1 3.74Å; F39-Y642 AromaticContact CZ-CE1 3.99Å; F39-Y642 HydrophobicContact CZ-CE1 3.99Å
40V86.4Confident83.3Confident0 Ų045.9 Ų45.90%027%0.27CS..Iπ-helixtrans-82.2-42.2-170.9179.90000112.1P36 L44 G45 L46 V57 I60 A61P36-V40 WeakPolarHBondContact O-CB 3.47Å; P36-V40 WeakPolarHBondContact O-CG2 3.43Å; P36-V40 PolarHBondContact O-N 3.09Å; V40-L44 WeakPolarHBondContact O-CB 3.49Å; V40-G45 PolarHBondContact O-N 3.37Å; V40-L46 HydrophobicContact CG1-CB 3.91Å; V40-L46 PolarHBondContact O-N 3.44Å; V40-V57 HydrophobicContact CB-CG1 4.03Å; V40-V57 HydrophobicContact CG1-CG1 4.39Å; V40-V57 HydrophobicContact CG2-CG1 4.33Å; V40-I60 HydrophobicContact CG1-CB 4.34Å; V40-I60 HydrophobicContact CG1-CD1 4.34Å; V40-I60 HydrophobicContact CG1-CG2 4.1Å; V40-I60 HydrophobicContact CG2-CB 3.96Å; V40-I60 HydrophobicContact CG2-CG2 3.71Å; V40-A61 HydrophobicContact CG2-CB 3.95Å
41Q85.5Confident82.6Confident41 Ų4149.4 Ų49.419%0.19227%0.268CS..Iπ-helixtrans-92.1-47.2-173.5-59.8178.6-42.900112G37 G45 L46 H47 T48 H52 V57G37-Q41 WeakPolarHBondContact O-CA 3.42Å; G37-Q41 WeakPolarHBondContact O-CB 3.22Å; G37-Q41 PolarHBondContact O-N 3.35Å; Q41-G45 VanDerWaalsContact O-CA 3.31Å; Q41-G45 WeakPolarHBondContact O-CA 3.44Å; Q41-G45 PolarHBondContact O-N 3.04Å; Q41-L46 WeakPolarHBondContact CA-O 3.3Å; Q41-H47 PolarHBondContact NE2-O 3.07Å; Q41-H47 VanDerWaalsContact NE2-O 3.12Å; Q41-T48 HydrophobicContact CB-CG2 4.48Å; Q41-T48 WeakPolarHBondContact O-CG2 3.3Å; Q41-H52 PolarHBondContact NE2-CD2 3.34Å; Q41-H52 VanDerWaalsContact NE2-CD2 3.32Å; Q41-H52 PolarHBondContact NE2-CE1 3.18Å; Q41-H52 PolarHBondContact NE2-ND1 2.89Å; Q41-H52 PolarHBondContact NE2-NE2 3.16Å; Q41-V57 HydrophobicContact CG-CG2 4.41Å
42N84.8Confident82Confident99 Ų9946.3 Ų46.353%0.52925%0.254SS..Iπ-helixtrans-82.6-44.5-175-62.6-28.1000112.4Y23 G37 D38Y23-N42 HydrophobicContact CD1-CB 4.2Å; G37-N42 PolarHBondContact O-N 2.95Å; G37-N42 VanDerWaalsContact O-N 3.08Å; D38-N42 WeakPolarHBondContact O-CB 3.45Å; D38-N42 PolarHBondContact OD1-ND2 3.02Å
43Y86Confident81.4Confident3 Ų343.1 Ų43.11%0.01224%0.24CC..Iπ-helixtrans-82-62.9-179.6-178.8-112.9000111.7I19 Y23 D38 F39 G45 F77 D637 H638 Y642I19-Y43 HydrophobicContact CG2-CD2 4.28Å; I19-Y43 HydrophobicContact CG2-CE2 3.54Å; Y23-Y43 AromaticContact CD2-CD2 3.75Å; Y23-Y43 HydrophobicContact CD2-CD2 3.75Å; Y23-Y43 HydrophobicContact CD2-CE2 4.44Å; Y23-Y43 HydrophobicContact CE1-CD2 4.49Å; Y23-Y43 AromaticContact CE2-CD2 3.69Å; Y23-Y43 HydrophobicContact CE2-CD2 3.69Å; Y23-Y43 HydrophobicContact CE2-CE2 4.23Å; Y23-Y43 HydrophobicContact CG-CD2 4.24Å; D38-Y43 WeakPolarHBondContact O-CB 3.32Å; D38-Y43 PolarHBondContact O-N 3.18Å; F39-Y43 HydrophobicContact CD2-CD1 4.13Å; F39-Y43 HydrophobicContact CE2-CD1 4.14Å; F39-Y43 WeakPolarHBondContact O-CB 3.2Å; Y43-G45 VanDerWaalsContact C-N 3.3Å; Y43-G45 PolarHBondContact O-N 3.19Å; Y43-F77 AromaticContact CD1-CE2 3.96Å; Y43-F77 HydrophobicContact CD1-CE2 3.96Å; Y43-F77 HydrophobicContact CD1-CZ 4.39Å; Y43-F77 AromaticContact CE1-CE2 3.63Å; Y43-F77 HydrophobicContact CE1-CE2 3.63Å; Y43-F77 AromaticContact CE1-CZ 3.72Å; Y43-F77 HydrophobicContact CE1-CZ 3.72Å; Y43-F77 HydrophobicContact CE2-CZ 4.29Å; Y43-F77 AromaticContact CZ-CZ 3.68Å; Y43-D637 HydrophobicContact CE2-CB 4.48Å; Y43-D637 PolarHBondContact OH-O 3.43Å; Y43-H638 AromaticContact CZ-CD2 3.91Å; Y43-H638 PolarHBondContact O-CE1 3.21Å; Y43-H638 PolarHBondContact O-NE2 3.19Å; Y43-Y642 AromaticContact CE1-CD1 3.54Å; Y43-Y642 HydrophobicContact CE1-CD1 3.54Å; Y43-Y642 HydrophobicContact CE1-CD2 4.29Å; Y43-Y642 AromaticContact CE1-CE1 3.82Å; Y43-Y642 HydrophobicContact CE1-CE1 3.82Å; Y43-Y642 AromaticContact CE1-CG 3.79Å; Y43-Y642 HydrophobicContact CE1-CG 3.79Å; Y43-Y642 WeakPolarHBondContact OH-CB 3.42Å
44L82.3Confident80.9Confident3 Ų343.8 Ų43.82%0.01625%0.248CC..SBendtrans-73.9-16-177.2-64.4179.6000114.4F39 V40 L46 P632 Y642 A645 F649F39-L44 HydrophobicContact CD1-CD1 4.2Å; F39-L44 HydrophobicContact CE1-CD1 3.76Å; F39-L44 HydrophobicContact CZ-CD1 3.95Å; F39-L44 HydrophobicContact CZ-CG 4.47Å; F39-L44 WeakPolarHBondContact O-CB 3.36Å; F39-L44 WeakPolarHBondContact O-CG 3.42Å; F39-L44 PolarHBondContact O-N 2.99Å; V40-L44 WeakPolarHBondContact O-CB 3.49Å; L44-L46 HydrophobicContact CB-CD1 4.06Å; L44-L46 HydrophobicContact CB-CG 4.03Å; L44-L46 HydrophobicContact CD1-CD1 4.15Å; L44-L46 PolarHBondContact O-N 3.25Å; L44-P632 WeakPolarHBondContact O-CG 3.2Å; L44-Y642 HydrophobicContact CD2-CD1 4.25Å; L44-A645 HydrophobicContact CD2-CB 3.47Å; L44-A645 VanDerWaalsContact CD2-CB 3.47Å; L44-F649 HydrophobicContact CD1-CD2 4.46Å; L44-F649 HydrophobicContact CD1-CE2 3.91Å
45G78.4Confident80.4Confident23 Ų2348.4 Ų48.424%0.23727%0.269CS..  trans68.320.3-179.200000114.4V40 Q41 Y43V40-G45 PolarHBondContact O-N 3.37Å; Q41-G45 VanDerWaalsContact O-CA 3.31Å; Q41-G45 WeakPolarHBondContact O-CA 3.44Å; Q41-G45 PolarHBondContact O-N 3.04Å; Y43-G45 VanDerWaalsContact C-N 3.3Å; Y43-G45 PolarHBondContact O-N 3.19Å
46L77.4Confident80Confident27 Ų2746.8 Ų46.814%0.14126%0.258CS..  trans-92.8146.6-179.3-60.8173.6000110.8V40 Q41 L44 T48 P632 A646 F649V40-L46 HydrophobicContact CG1-CB 3.91Å; V40-L46 PolarHBondContact O-N 3.44Å; Q41-L46 WeakPolarHBondContact CA-O 3.3Å; L44-L46 HydrophobicContact CB-CD1 4.06Å; L44-L46 HydrophobicContact CB-CG 4.03Å; L44-L46 HydrophobicContact CD1-CD1 4.15Å; L44-L46 PolarHBondContact O-N 3.25Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 3Å; L46-P632 HydrophobicContact CD2-CG 4Å; L46-A646 HydrophobicContact CD2-CB 4.2Å; L46-F649 HydrophobicContact CD1-CD2 4.18Å
47H69.9Low79.7Confident33 Ų3345.5 Ų45.515%0.15325%0.25CS..SBendtrans52.238175.7-61.7-87.8000115.4Q41 Q49 H52 V57Q41-H47 PolarHBondContact NE2-O 3.07Å; Q41-H47 VanDerWaalsContact NE2-O 3.12Å; H47-Q49 PolarHBondContact O-N 3.49Å; H47-H52 HydrophobicContact CB-CB 4.28Å; H47-V57 HydrophobicContact CB-CG2 4.29Å
48T68.4Low79.7Confident96 Ų9650.1 Ų50.159%0.58927%0.267SS*.  trans-75.13.9179.2540000114.4Q41 L46Q41-T48 HydrophobicContact CB-CG2 4.48Å; Q41-T48 WeakPolarHBondContact O-CG2 3.3Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 3Å
49Q72.9Confident79.6Confident98 Ų9850.7 Ų50.746%0.45827%0.27SS..SBendtrans-76.2147.4-176.2-64.3175.92.600111.8H47 Q51 H52H47-Q49 PolarHBondContact O-N 3.49Å; Q49-Q51 PolarHBondContact O-N 2.94Å; Q49-Q51 VanDerWaalsContact O-N 3.13Å; Q49-H52 PolarHBondContact O-N 3.25Å; Q49-H52 PolarHBondContact O-ND1 2.9Å
50P61.5Low79.4Confident134 Ų13451 Ų5187%0.8727%0.272SS*.THydrogen-bonded Turntrans-65.9-17.7-173.923.2-32.9000114.7
51Q68.6Low79.5Confident142 Ų14251.2 Ų51.266%0.66427%0.273SS*.THydrogen-bonded Turntrans-113.333.9178-65.4-173.9-9.300112.8Q49 F663Q49-Q51 PolarHBondContact O-N 2.94Å; Q49-Q51 VanDerWaalsContact O-N 3.13Å; Q51-F663 HydrophobicContact CB-CD1 4.23Å; Q51-F663 WeakPolarHBondContact O-CA 3.5Å; Q51-F663 WeakPolarHBondContact O-CD1 3.38Å
52H74.3Confident79.6Confident52 Ų5250 Ų5024%0.24127%0.272CS..BIsolated β-bridgetrans-66.5154.5178.568-86.9000112.6Q41 H47 Q49 P54 K662Q41-H52 PolarHBondContact NE2-CD2 3.34Å; Q41-H52 VanDerWaalsContact NE2-CD2 3.32Å; Q41-H52 PolarHBondContact NE2-CE1 3.18Å; Q41-H52 PolarHBondContact NE2-ND1 2.89Å; Q41-H52 PolarHBondContact NE2-NE2 3.16Å; H47-H52 HydrophobicContact CB-CB 4.28Å; Q49-H52 PolarHBondContact O-N 3.25Å; Q49-H52 PolarHBondContact O-ND1 2.9Å; H52-P54 WeakPolarHBondContact O-CD 3.46Å; H52-K662 WeakPolarHBondContact CA-O 3.39Å
53N79.2Confident79.9Confident14 Ų1445.4 Ų45.48%0.07525%0.247CC..  trans-82116.8170.7-171.1-15.6000110.1K55 T56 P661 K662N53-K55 VanDerWaalsContact C-N 3.27Å; N53-K55 PolarHBondContact O-N 3.26Å; N53-K55 WeakPolarHBondContact OD1-CB 3.32Å; N53-K55 PolarHBondContact OD1-N 3.4Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-T56 PolarHBondContact O-N 3.46Å; N53-P661 VanDerWaalsContact CB-O 3.31Å; N53-P661 WeakPolarHBondContact CB-O 3.3Å; N53-P661 WeakPolarHBondContact ND2-CG 3.39Å; N53-K662 PolarHBondContact N-O 3.39Å
54P81.7Confident80Confident51 Ų5145.3 Ų45.333%0.33125%0.247SC..Hα-helixtrans-63-33.3-179.425.6-34.2000112.5H52 T56 V57 E58H52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-T56 PolarHBondContact O-N 2.83Å; P54-V57 WeakPolarHBondContact O-CB 3.06Å; P54-V57 PolarHBondContact O-N 2.98Å; P54-V57 VanDerWaalsContact O-N 3.11Å; P54-E58 PolarHBondContact O-N 3.46Å
55K82.7Confident80.4Confident98 Ų9845.7 Ų45.743%0.42625%0.249SC..Hα-helixtrans-61.6-34.5178-62.6-179.2-173168.10111.9N53 E58 L59 E668N53-K55 VanDerWaalsContact C-N 3.27Å; N53-K55 PolarHBondContact O-N 3.26Å; N53-K55 WeakPolarHBondContact OD1-CB 3.32Å; N53-K55 PolarHBondContact OD1-N 3.4Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; K55-E58 PolarHBondContact O-N 3.06Å; K55-L59 WeakPolarHBondContact O-CB 3.5Å; K55-L59 VanDerWaalsContact O-CG 3.25Å; K55-L59 WeakPolarHBondContact O-CG 3.39Å; K55-L59 PolarHBondContact O-N 3.48Å; K55-E668 IonicContact NZ-OE1 3.22Å; K55-E668 PolarHBondContact NZ-OE1 3.44Å
56T83Confident80.8Confident1 Ų147.9 Ų47.91%0.00626%0.258CS..Hα-helixtrans-69.7-37.2177.9-55.90000111.4N53 P54 L59 I60 L660 P661N53-T56 PolarHBondContact O-N 3.46Å; P54-T56 PolarHBondContact O-N 2.83Å; T56-L59 PolarHBondContact O-N 3.17Å; T56-I60 HydrophobicContact CG2-CD1 4.04Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.39Å; T56-I60 PolarHBondContact O-N 3.32Å; T56-L660 HydrophobicContact CG2-CB 3.66Å; T56-L660 HydrophobicContact CG2-CD1 3.99Å; T56-L660 HydrophobicContact CG2-CG 4.48Å; T56-P661 PolarHBondContact OG1-O 3.44Å
57V85.8Confident81.2Confident7 Ų750.7 Ų50.74%0.04228%0.276CS..Hα-helixtrans-64.2-45.1174.7175.40000110.2P36 V40 Q41 H47 P54 I60 A61P36-V57 HydrophobicContact CB-CG1 4.11Å; V40-V57 HydrophobicContact CB-CG1 4.03Å; V40-V57 HydrophobicContact CG1-CG1 4.39Å; V40-V57 HydrophobicContact CG2-CG1 4.33Å; Q41-V57 HydrophobicContact CG-CG2 4.41Å; H47-V57 HydrophobicContact CB-CG2 4.29Å; P54-V57 WeakPolarHBondContact O-CB 3.06Å; P54-V57 PolarHBondContact O-N 2.98Å; P54-V57 VanDerWaalsContact O-N 3.11Å; V57-I60 PolarHBondContact O-N 3.26Å; V57-A61 WeakPolarHBondContact O-CB 3.3Å; V57-A61 PolarHBondContact O-N 3.41Å
58E86.9Confident82Confident115 Ų11552.2 Ų52.254%0.53728%0.283SS..Hα-helixtrans-62.2-43.1175.4-70.3168.4-170.200112.4P54 K55 I60 A61 G62P54-E58 PolarHBondContact O-N 3.46Å; K55-E58 PolarHBondContact O-N 3.06Å; E58-I60 PolarHBondContact O-N 3.32Å; E58-A61 PolarHBondContact O-N 3.28Å; E58-G62 PolarHBondContact O-N 2.95Å
59L85.8Confident82.9Confident28 Ų2852 Ų5215%0.14728%0.277CS..Hα-helixtrans-63.6-41.4178-75.2174.5000112.8K55 T56 G62 L97 I114 L660K55-L59 WeakPolarHBondContact O-CB 3.5Å; K55-L59 VanDerWaalsContact O-CG 3.25Å; K55-L59 WeakPolarHBondContact O-CG 3.39Å; K55-L59 PolarHBondContact O-N 3.48Å; T56-L59 PolarHBondContact O-N 3.17Å; L59-G62 PolarHBondContact O-N 2.87Å; L59-L97 HydrophobicContact CB-CD1 4.12Å; L59-I114 HydrophobicContact CD2-CD1 3.53Å; L59-L660 HydrophobicContact CB-CD1 4.34Å; L59-L660 HydrophobicContact CD1-CD1 4.3Å; L59-L660 HydrophobicContact CD1-CD2 3.91Å
60I86.6Confident83.5Confident7 Ų749.1 Ų49.14%0.03627%0.274CS..Hα-helixtrans-69.3-42.9178.1-65.9169.1000110.3V40 T56 V57 E58 G62 V63 F649 L660V40-I60 HydrophobicContact CG1-CB 4.34Å; V40-I60 HydrophobicContact CG1-CD1 4.34Å; V40-I60 HydrophobicContact CG1-CG2 4.1Å; V40-I60 HydrophobicContact CG2-CB 3.96Å; V40-I60 HydrophobicContact CG2-CG2 3.71Å; T56-I60 HydrophobicContact CG2-CD1 4.04Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.39Å; T56-I60 PolarHBondContact O-N 3.32Å; V57-I60 PolarHBondContact O-N 3.26Å; E58-I60 PolarHBondContact O-N 3.32Å; I60-G62 VanDerWaalsContact C-N 3.3Å; I60-G62 PolarHBondContact O-N 3.36Å; I60-V63 WeakPolarHBondContact O-CB 3.42Å; I60-V63 PolarHBondContact O-N 3.11Å; I60-F649 HydrophobicContact CG2-CD1 4.21Å; I60-F649 HydrophobicContact CG2-CD2 4.36Å; I60-F649 HydrophobicContact CG2-CE1 3.81Å; I60-F649 HydrophobicContact CG2-CE2 3.99Å; I60-F649 HydrophobicContact CG2-CG 4.48Å; I60-F649 HydrophobicContact CG2-CZ 3.69Å; I60-L660 HydrophobicContact CG1-CD1 4.42Å
61A88.8Confident85Confident3 Ų343.9 Ų43.93%0.02524%0.239CC..Hα-helixtrans-63.5-38.4175.300000111.9P36 V40 V57 E58 V63 A64 D65 I72P36-A61 HydrophobicContact CB-CB 3.53Å; P36-A61 HydrophobicContact CG-CB 4.01Å; V40-A61 HydrophobicContact CG2-CB 3.95Å; V57-A61 WeakPolarHBondContact O-CB 3.3Å; V57-A61 PolarHBondContact O-N 3.41Å; E58-A61 PolarHBondContact O-N 3.28Å; A61-V63 PolarHBondContact O-N 2.87Å; A61-A64 PolarHBondContact O-N 3.03Å; A61-D65 PolarHBondContact O-N 3.34Å; A61-I72 HydrophobicContact CB-CD1 4.28Å
62G87.7Confident86.2Confident17 Ų1737.2 Ų37.218%0.17521%0.208CC..Hα-helixtrans-60.8-13.2176.500000114.6E58 L59 I60 K68E58-G62 PolarHBondContact O-N 2.95Å; L59-G62 PolarHBondContact O-N 2.87Å; I60-G62 VanDerWaalsContact C-N 3.3Å; I60-G62 PolarHBondContact O-N 3.36Å; G62-K68 PolarHBondContact O-NZ 2.98Å
63V89.1Confident87.1Confident2 Ų235.7 Ų35.71%0.01220%0.203CC..Hα-helixtrans-74-38.6170.9177.50000111I60 A61 F80 V93 Q96 L97 F649I60-V63 WeakPolarHBondContact O-CB 3.42Å; I60-V63 PolarHBondContact O-N 3.11Å; A61-V63 PolarHBondContact O-N 2.87Å; V63-F80 HydrophobicContact CG1-CD2 4.35Å; V63-F80 HydrophobicContact CG1-CE2 3.56Å; V63-F80 HydrophobicContact CG1-CZ 4.23Å; V63-V93 HydrophobicContact CG1-CB 4.41Å; V63-V93 HydrophobicContact CG1-CG1 4.02Å; V63-V93 HydrophobicContact CG1-CG2 4.4Å; V63-Q96 HydrophobicContact CB-CB 4.43Å; V63-Q96 HydrophobicContact CG1-CB 3.75Å; V63-Q96 PolarHBondContact O-OE1 2.92Å; V63-L97 HydrophobicContact CG2-CB 3.98Å; V63-L97 HydrophobicContact CG2-CD1 4.02Å; V63-F649 HydrophobicContact CB-CE1 4.31Å; V63-F649 HydrophobicContact CB-CZ 4.46Å; V63-F649 HydrophobicContact CG1-CE1 4.33Å; V63-F649 HydrophobicContact CG1-CZ 4.47Å; V63-F649 HydrophobicContact CG2-CE1 4.13Å
64A89.5Confident87.7Confident1 Ų137.5 Ų37.51%0.00821%0.21CC..Hα-helixtrans-83.6-34.1178.600000111.9F39 A61 T66 I72 E76 F80F39-A64 HydrophobicContact CD1-CB 4.45Å; F39-A64 HydrophobicContact CE1-CB 3.78Å; F39-A64 HydrophobicContact CZ-CB 3.85Å; A61-A64 PolarHBondContact O-N 3.03Å; A64-T66 PolarHBondContact O-N 3.47Å; A64-I72 HydrophobicContact CB-CD1 3.97Å; A64-I72 HydrophobicContact CB-CG1 4.37Å; A64-E76 WeakPolarHBondContact O-CB 3.49Å; A64-F80 HydrophobicContact CB-CB 4.18Å; A64-F80 HydrophobicContact CB-CD1 4.24Å; A64-F80 HydrophobicContact CB-CD2 4.24Å; A64-F80 HydrophobicContact CB-CG 3.95Å
65D91.3Very high88.2Confident11 Ų1142.5 Ų42.56%0.05923%0.229CC..  trans-72.7105.1172.3172.99.5000110.1A61 T67 K68 G70 I72A61-D65 PolarHBondContact O-N 3.34Å; D65-T67 PolarHBondContact OD1-N 2.95Å; D65-T67 PolarHBondContact OD1-OG1 2.98Å; D65-K68 WeakPolarHBondContact O-CD 3.47Å; D65-K68 WeakPolarHBondContact O-CE 3.31Å; D65-K68 PolarHBondContact O-NZ 3.04Å; D65-K68 VanDerWaalsContact OD1-CA 3.27Å; D65-K68 WeakPolarHBondContact OD1-CA 3.33Å; D65-K68 PolarHBondContact OD1-N 3.49Å; D65-K68 WeakPolarHBondContact OD2-CA 3.42Å; D65-G70 WeakPolarHBondContact OD2-CA 3.27Å; D65-G70 PolarHBondContact OD2-N 3.42Å; D65-I72 HydrophobicContact CB-CG1 4.1Å
66T85.8Confident88.6Confident69 Ų6938.2 Ų38.242%0.42321%0.211SC..SBendtrans-95.5-28.5179.858.70000112.4A64 K68 E76A64-T66 PolarHBondContact O-N 3.47Å; T66-K68 VanDerWaalsContact C-N 3.25Å; T66-E76 WeakPolarHBondContact CA-OE1 3.46Å; T66-E76 PolarHBondContact N-OE1 3.48Å; T66-E76 WeakPolarHBondContact OG1-CG 3.24Å; T66-E76 PolarHBondContact OG1-OE1 2.93Å
67T86.4Confident89Confident85 Ų8538.2 Ų38.252%0.52121%0.21SC..SBendtrans-73.7-19.1176.351.10000112.5D65 D69 E76D65-T67 PolarHBondContact OD1-N 2.95Å; D65-T67 PolarHBondContact OD1-OG1 2.98Å; T67-D69 WeakPolarHBondContact CB-OD2 3.3Å; T67-D69 PolarHBondContact O-N 3.34Å; T67-D69 PolarHBondContact OG1-OD1 3.48Å; T67-D69 PolarHBondContact OG1-OD2 3.24Å; T67-E76 PolarHBondContact N-OE1 3.36Å; T67-E76 PolarHBondContact OG1-OE1 3.49Å
68K86.8Confident89.3Confident66 Ų6640.4 Ų40.429%0.28722%0.222SC..  trans60.630.2-177.9-52.2-57.9-177.8-166.30113G62 D65 T66 G70 D99 K100G62-K68 PolarHBondContact O-NZ 2.98Å; D65-K68 WeakPolarHBondContact O-CD 3.47Å; D65-K68 WeakPolarHBondContact O-CE 3.31Å; D65-K68 PolarHBondContact O-NZ 3.04Å; D65-K68 VanDerWaalsContact OD1-CA 3.27Å; D65-K68 WeakPolarHBondContact OD1-CA 3.33Å; D65-K68 PolarHBondContact OD1-N 3.49Å; D65-K68 WeakPolarHBondContact OD2-CA 3.42Å; T66-K68 VanDerWaalsContact C-N 3.25Å; K68-G70 VanDerWaalsContact C-N 3.3Å; K68-D99 WeakPolarHBondContact CE-O 3.4Å; K68-D99 PolarHBondContact NZ-O 3.24Å; K68-K100 WeakPolarHBondContact CD-O 3.5Å; K68-K100 WeakPolarHBondContact CE-O 3.32Å; K68-K100 WeakPolarHBondContact CG-O 3.28Å
69D86.5Confident89.4Confident90 Ų9037.1 Ų37.148%0.48122%0.215SC..SBendtrans-85.3-5175.157.230.1000112.6T67 L71T67-D69 WeakPolarHBondContact CB-OD2 3.3Å; T67-D69 PolarHBondContact O-N 3.34Å; T67-D69 PolarHBondContact OG1-OD1 3.48Å; T67-D69 PolarHBondContact OG1-OD2 3.24Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 WeakPolarHBondContact OD1-CA 3.39Å; D69-L71 PolarHBondContact OD1-N 2.96Å
70G86.3Confident89.7Confident38 Ų3836 Ų3639%0.39221%0.208SC..SBendtrans85.32.8179.900000113.6P36 D65 K68P36-G70 WeakPolarHBondContact CD-O 3.29Å; D65-G70 WeakPolarHBondContact OD2-CA 3.27Å; D65-G70 PolarHBondContact OD2-N 3.42Å; K68-G70 VanDerWaalsContact C-N 3.3Å
71L92Very high89.8Confident25 Ų2535.7 Ų35.713%0.13121%0.207CC..SBendtrans-120.9161.3176.8-65.1178.5000109.6V26 Y33 T35 D69V26-L71 HydrophobicContact CG1-CD1 4.25Å; Y33-L71 HydrophobicContact CD1-CB 4.01Å; Y33-L71 HydrophobicContact CD1-CD1 4.41Å; Y33-L71 HydrophobicContact CG-CB 4.31Å; Y33-L71 HydrophobicContact CG-CD1 4.13Å; T35-L71 HydrophobicContact CG2-CD2 4.35Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 WeakPolarHBondContact OD1-CA 3.39Å; D69-L71 PolarHBondContact OD1-N 2.96Å
72I93.3Very high89.7Confident2 Ų237.7 Ų37.71%0.0122%0.221CC..BIsolated β-bridgetrans-117.1114176.2-61.4163.9000108.3M34 F39 A61 A64 D65 E76 F77M34-I72 HydrophobicContact CB-CB 4.23Å; M34-I72 PolarHBondContact N-O 3.24Å; M34-I72 PolarHBondContact O-N 3.49Å; F39-I72 HydrophobicContact CB-CD1 3.58Å; F39-I72 HydrophobicContact CD1-CD1 3.61Å; F39-I72 HydrophobicContact CD2-CD1 4.12Å; F39-I72 HydrophobicContact CE1-CD1 4.3Å; F39-I72 HydrophobicContact CG-CD1 3.5Å; F39-I72 VanDerWaalsContact CG-CD1 3.5Å; A61-I72 HydrophobicContact CB-CD1 4.28Å; A64-I72 HydrophobicContact CB-CD1 3.97Å; A64-I72 HydrophobicContact CB-CG1 4.37Å; D65-I72 HydrophobicContact CB-CG1 4.1Å; I72-E76 HydrophobicContact CG2-CB 4.14Å; I72-F77 HydrophobicContact CG2-CB 4.33Å
73S94Very high89.6Confident19 Ų1938 Ų3813%0.13322%0.219CC..  trans-76.416517569.30000111.9Q75 E76 F77S73-Q75 PolarHBondContact O-N 2.97Å; S73-E76 WeakPolarHBondContact CB-OE2 3.43Å; S73-E76 PolarHBondContact N-OE2 3.37Å; S73-E76 PolarHBondContact O-N 2.94Å; S73-E76 VanDerWaalsContact OG-CG 3.28Å; S73-E76 WeakPolarHBondContact OG-CG 3.44Å; S73-E76 PolarHBondContact OG-N 3.28Å; S73-E76 PolarHBondContact OG-OE2 3.09Å; S73-F77 WeakPolarHBondContact O-CB 3.25Å; S73-F77 PolarHBondContact O-N 3.25Å
74F92.4Very high89.4Confident53 Ų5338 Ų3823%0.23222%0.219CC..Hα-helixtrans-62.4-32.9175177.6-114.8000112.6L16 K17 F20 E76 F77 L78L16-F74 HydrophobicContact CB-CE2 4.35Å; K17-F74 HydrophobicContact CB-CE1 4.3Å; K17-F74 HydrophobicContact CB-CE2 3.71Å; K17-F74 HydrophobicContact CB-CZ 3.56Å; K17-F74 HydrophobicContact CD-CE1 4.33Å; K17-F74 HydrophobicContact CD-CZ 4.41Å; K17-F74 HydrophobicContact CG-CE1 4.31Å; K17-F74 HydrophobicContact CG-CE2 4.13Å; K17-F74 HydrophobicContact CG-CZ 4.01Å; F20-F74 HydrophobicContact CB-CD2 3.79Å; F20-F74 HydrophobicContact CB-CE2 4.25Å; F20-F74 HydrophobicContact CD1-CB 3.95Å; F20-F74 AromaticContact CD1-CD2 3.94Å; F20-F74 HydrophobicContact CD1-CD2 3.94Å; F20-F74 HydrophobicContact CD1-CG 4.34Å; F20-F74 HydrophobicContact CD2-CD2 4.21Å; F20-F74 HydrophobicContact CE1-CB 3.8Å; F20-F74 HydrophobicContact CE2-CB 4.38Å; F20-F74 HydrophobicContact CG-CB 4.32Å; F20-F74 AromaticContact CG-CD2 3.71Å; F20-F74 HydrophobicContact CG-CD2 3.71Å; F20-F74 HydrophobicContact CG-CG 4.48Å; F20-F74 HydrophobicContact CZ-CB 4.03Å; F20-F74 VanDerWaalsContact CZ-N 3.34Å; F74-E76 VanDerWaalsContact C-N 3.35Å; F74-F77 PolarHBondContact O-N 3.43Å; F74-L78 HydrophobicContact CE1-CD1 4.35Å; F74-L78 HydrophobicContact CZ-CD1 4.14Å; F74-L78 WeakPolarHBondContact O-CB 3.49Å; F74-L78 PolarHBondContact O-N 3.01Å
75Q91.6Very high88.9Confident156 Ų15638.8 Ų38.873%0.72922%0.224SC*.Hα-helixtrans-66.8-40.6179.3-62.7-175.71800111S73 L78 A79S73-Q75 PolarHBondContact O-N 2.97Å; Q75-L78 PolarHBondContact O-N 3.45Å; Q75-A79 WeakPolarHBondContact O-CB 3.47Å; Q75-A79 PolarHBondContact O-N 3.23Å
76E91.9Very high88.4Confident7 Ų739.5 Ų39.53%0.03323%0.232CC..Hα-helixtrans-70.4-39.9177.1-71.7171.4129.400112.3A64 T66 T67 I72 S73 F74 L78 A79 F80A64-E76 WeakPolarHBondContact O-CB 3.49Å; T66-E76 WeakPolarHBondContact CA-OE1 3.46Å; T66-E76 PolarHBondContact N-OE1 3.48Å; T66-E76 WeakPolarHBondContact OG1-CG 3.24Å; T66-E76 PolarHBondContact OG1-OE1 2.93Å; T67-E76 PolarHBondContact N-OE1 3.36Å; T67-E76 PolarHBondContact OG1-OE1 3.49Å; I72-E76 HydrophobicContact CG2-CB 4.14Å; S73-E76 WeakPolarHBondContact CB-OE2 3.43Å; S73-E76 PolarHBondContact N-OE2 3.37Å; S73-E76 PolarHBondContact O-N 2.94Å; S73-E76 VanDerWaalsContact OG-CG 3.28Å; S73-E76 WeakPolarHBondContact OG-CG 3.44Å; S73-E76 PolarHBondContact OG-N 3.28Å; S73-E76 PolarHBondContact OG-OE2 3.09Å; F74-E76 VanDerWaalsContact C-N 3.35Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 3.42Å; E76-A79 PolarHBondContact O-N 2.86Å; E76-F80 WeakPolarHBondContact O-CB 3.29Å; E76-F80 PolarHBondContact O-N 3.22Å
77F91.4Very high87.7Confident1 Ų143 Ų430%0.00426%0.255CS..Hα-helixtrans-57.7-44.5171.4-172.3-99.3000111.3L16 F20 M34 F39 Y43 I72 S73 F74 E81 Y642L16-F77 HydrophobicContact CB-CE1 4.37Å; L16-F77 HydrophobicContact CD2-CE1 4.02Å; F20-F77 HydrophobicContact CB-CD1 4.17Å; F20-F77 HydrophobicContact CB-CE1 4.28Å; F20-F77 HydrophobicContact CD2-CB 3.77Å; F20-F77 AromaticContact CD2-CD1 4Å; F20-F77 HydrophobicContact CD2-CD1 4Å; F20-F77 HydrophobicContact CD2-CD2 4.08Å; F20-F77 AromaticContact CD2-CG 3.69Å; F20-F77 HydrophobicContact CD2-CG 3.69Å; F20-F77 HydrophobicContact CE2-CB 4.03Å; F20-F77 HydrophobicContact CE2-CG 4.37Å; M34-F77 HydrophobicContact SD-CD2 3.98Å; M34-F77 HydrophobicContact SD-CE2 4.12Å; F39-F77 HydrophobicContact CD2-CD2 4.24Å; F39-F77 HydrophobicContact CD2-CE2 4.23Å; F39-F77 HydrophobicContact CE2-CD2 4.01Å; F39-F77 AromaticContact CE2-CE2 4Å; F39-F77 HydrophobicContact CE2-CE2 4Å; Y43-F77 AromaticContact CD1-CE2 3.96Å; Y43-F77 HydrophobicContact CD1-CE2 3.96Å; Y43-F77 HydrophobicContact CD1-CZ 4.39Å; Y43-F77 AromaticContact CE1-CE2 3.63Å; Y43-F77 HydrophobicContact CE1-CE2 3.63Å; Y43-F77 AromaticContact CE1-CZ 3.72Å; Y43-F77 HydrophobicContact CE1-CZ 3.72Å; Y43-F77 HydrophobicContact CE2-CZ 4.29Å; Y43-F77 AromaticContact CZ-CZ 3.68Å; I72-F77 HydrophobicContact CG2-CB 4.33Å; S73-F77 WeakPolarHBondContact O-CB 3.25Å; S73-F77 PolarHBondContact O-N 3.25Å; F74-F77 PolarHBondContact O-N 3.43Å; F77-E81 PolarHBondContact O-N 3.47Å; F77-E81 VanDerWaalsContact O-N 3.13Å; F77-Y642 WeakPolarHBondContact CA-OH 3.21Å; F77-Y642 HydrophobicContact CD1-CE2 4.02Å; F77-Y642 HydrophobicContact CD2-CE2 4.13Å; F77-Y642 AromaticContact CD2-CZ 3.69Å; F77-Y642 WeakPolarHBondContact CD2-OH 3.31Å; F77-Y642 HydrophobicContact CE1-CD2 4.34Å; F77-Y642 AromaticContact CE1-CE2 3.62Å; F77-Y642 HydrophobicContact CE1-CE2 3.62Å; F77-Y642 HydrophobicContact CE2-CE1 4.09Å; F77-Y642 AromaticContact CE2-CE2 3.73Å; F77-Y642 HydrophobicContact CE2-CE2 3.73Å; F77-Y642 AromaticContact CE2-CZ 3.46Å; F77-Y642 VanDerWaalsContact CE2-CZ 3.46Å; F77-Y642 WeakPolarHBondContact CE2-OH 3.46Å; F77-Y642 HydrophobicContact CG-CE2 4.25Å; F77-Y642 WeakPolarHBondContact CG-OH 3.15Å; F77-Y642 HydrophobicContact CZ-CD2 4.04Å; F77-Y642 HydrophobicContact CZ-CE1 4.5Å; F77-Y642 AromaticContact CZ-CE2 3.45Å; F77-Y642 HydrophobicContact CZ-CE2 3.45Å; F77-Y642 VanDerWaalsContact CZ-CE2 3.45Å; F77-Y642 AromaticContact CZ-CZ 3.73Å; F77-Y642 PolarHBondContact O-OH 2.64Å
78L90.9Very high87.3Confident53 Ų5341.9 Ų41.928%0.27725%0.247SC..Hα-helixtrans-68.1-39.9175.9-168.5152.2000112.3P13 F74 Q75 E76 E81 S82P13-L78 HydrophobicContact CB-CD1 4.04Å; P13-L78 HydrophobicContact CG-CD1 4.47Å; F74-L78 HydrophobicContact CE1-CD1 4.35Å; F74-L78 HydrophobicContact CZ-CD1 4.14Å; F74-L78 WeakPolarHBondContact O-CB 3.49Å; F74-L78 PolarHBondContact O-N 3.01Å; Q75-L78 PolarHBondContact O-N 3.45Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 3.42Å; L78-E81 PolarHBondContact O-N 2.92Å; L78-S82 PolarHBondContact O-N 3.19Å
79A89.9Confident87Confident47 Ų4739.1 Ų39.139%0.38824%0.236SC..Hα-helixtrans-64-41.8177.700000111.6Q75 E76 S82 V83Q75-A79 WeakPolarHBondContact O-CB 3.47Å; Q75-A79 PolarHBondContact O-N 3.23Å; E76-A79 PolarHBondContact O-N 2.86Å; A79-S82 WeakPolarHBondContact O-CA 3.42Å; A79-S82 WeakPolarHBondContact O-CB 3.3Å; A79-S82 PolarHBondContact O-N 3.19Å; A79-S82 VanDerWaalsContact O-N 3.11Å; A79-V83 PolarHBondContact O-N 3.13Å
80F90.6Very high86.7Confident4 Ų435.7 Ų35.72%0.01822%0.218CC..Hα-helixtrans-67.3-36.5178.1-170.8-110.7000112.1F39 V63 A64 E76 S82 V83 L84 V93 Y642 F649F39-F80 HydrophobicContact CE1-CE1 4.44Å; F39-F80 AromaticContact CZ-CD1 3.78Å; F39-F80 HydrophobicContact CZ-CD1 3.78Å; F39-F80 AromaticContact CZ-CE1 3.8Å; F39-F80 HydrophobicContact CZ-CE1 3.8Å; V63-F80 HydrophobicContact CG1-CD2 4.35Å; V63-F80 HydrophobicContact CG1-CE2 3.56Å; V63-F80 HydrophobicContact CG1-CZ 4.23Å; A64-F80 HydrophobicContact CB-CB 4.18Å; A64-F80 HydrophobicContact CB-CD1 4.24Å; A64-F80 HydrophobicContact CB-CD2 4.24Å; A64-F80 HydrophobicContact CB-CG 3.95Å; E76-F80 WeakPolarHBondContact O-CB 3.29Å; E76-F80 PolarHBondContact O-N 3.22Å; F80-S82 PolarHBondContact O-N 3Å; F80-V83 HydrophobicContact CD2-CB 4.49Å; F80-V83 WeakPolarHBondContact O-CB 3.34Å; F80-V83 PolarHBondContact O-N 2.95Å; F80-V83 VanDerWaalsContact O-N 3.11Å; F80-L84 HydrophobicContact CD1-CD1 3.92Å; F80-L84 HydrophobicContact CD1-CG 4.27Å; F80-L84 HydrophobicContact CE1-CD1 3.64Å; F80-L84 HydrophobicContact CE1-CD2 4.14Å; F80-L84 HydrophobicContact CE1-CG 3.95Å; F80-L84 HydrophobicContact CZ-CD1 4.29Å; F80-L84 HydrophobicContact CZ-CD2 3.93Å; F80-L84 HydrophobicContact CZ-CG 4.13Å; F80-L84 WeakPolarHBondContact O-CG 3.17Å; F80-L84 PolarHBondContact O-N 3.46Å; F80-V93 HydrophobicContact CE2-CG2 4.1Å; F80-V93 HydrophobicContact CZ-CG2 4.37Å; F80-Y642 AromaticContact CD1-CE1 3.61Å; F80-Y642 HydrophobicContact CD1-CE1 3.61Å; F80-Y642 AromaticContact CD1-CZ 3.99Å; F80-Y642 HydrophobicContact CE1-CE1 4.08Å; F80-F649 HydrophobicContact CE1-CE2 4.26Å; F80-F649 HydrophobicContact CE1-CZ 4.27Å; F80-F649 AromaticContact CZ-CE2 3.93Å; F80-F649 HydrophobicContact CZ-CE2 3.93Å; F80-F649 AromaticContact CZ-CZ 3.61Å; F80-F649 HydrophobicContact CZ-CZ 3.61Å
81E89.4Confident86.5Confident1 Ų135.9 Ų35.91%0.00521%0.207CC..Hα-helixtrans-56.3-41.8169.3-170.3-88.5166.400111.8R10 A11 L16 F77 L78 V83 L84 C85 G641 Y642R10-E81 IonicContact CZ-OE2 2.59Å; R10-E81 IonicContact NE-OE1 2.83Å; R10-E81 IonicContact NE-OE2 3.86Å; R10-E81 PolarHBondContact NE-OE2 3.24Å; R10-E81 IonicContact NH2-OE2 2.82Å; R10-E81 PolarHBondContact NH2-OE2 3.09Å; R10-E81 VanDerWaalsContact NH2-OE2 3.09Å; A11-E81 HydrophobicContact CB-CG 4.39Å; A11-E81 PolarHBondContact N-OE1 3.49Å; L16-E81 HydrophobicContact CD1-CB 4.24Å; L16-E81 HydrophobicContact CD1-CG 4.05Å; F77-E81 PolarHBondContact O-N 3.47Å; F77-E81 VanDerWaalsContact O-N 3.13Å; L78-E81 PolarHBondContact O-N 2.92Å; E81-V83 VanDerWaalsContact C-N 3.33Å; E81-V83 PolarHBondContact O-N 3.45Å; E81-L84 PolarHBondContact O-N 3.23Å; E81-C85 PolarHBondContact O-N 3.45Å; E81-C85 PolarHBondContact O-SG 3.19Å; E81-G641 PolarHBondContact OE1-N 3.35Å; E81-Y642 HydrophobicContact CB-CD2 3.96Å; E81-Y642 HydrophobicContact CB-CE2 3.64Å; E81-Y642 HydrophobicContact CG-CD2 3.94Å; E81-Y642 HydrophobicContact CG-CE2 4.14Å
82S86.8Confident86.2Confident45 Ų4536.2 Ų36.232%0.31521%0.209SC..Hα-helixtrans-62.6-40.5176.2-1660000112.2R10 L78 A79 F80 C85 A86R10-S82 PolarHBondContact NH1-OG 3.35Å; R10-S82 VanDerWaalsContact NH2-CB 3.25Å; R10-S82 PolarHBondContact NH2-OG 3.29Å; L78-S82 PolarHBondContact O-N 3.19Å; A79-S82 WeakPolarHBondContact O-CA 3.42Å; A79-S82 WeakPolarHBondContact O-CB 3.3Å; A79-S82 PolarHBondContact O-N 3.19Å; A79-S82 VanDerWaalsContact O-N 3.11Å; F80-S82 PolarHBondContact O-N 3Å; S82-C85 PolarHBondContact O-N 3.06Å; S82-A86 PolarHBondContact O-N 2.98Å
83V86.8Confident85.9Confident24 Ų2436.2 Ų36.215%0.14521%0.209CC..Hα-helixtrans-63.1-43.6177.3169.20000110.6A79 F80 E81 C85 A86 A89 I92 V93A79-V83 PolarHBondContact O-N 3.13Å; F80-V83 HydrophobicContact CD2-CB 4.49Å; F80-V83 WeakPolarHBondContact O-CB 3.34Å; F80-V83 PolarHBondContact O-N 2.95Å; F80-V83 VanDerWaalsContact O-N 3.11Å; E81-V83 VanDerWaalsContact C-N 3.33Å; E81-V83 PolarHBondContact O-N 3.45Å; V83-C85 PolarHBondContact O-N 2.96Å; V83-A86 WeakPolarHBondContact O-CB 3.04Å; V83-A86 PolarHBondContact O-N 3.07Å; V83-A89 VanDerWaalsContact O-CB 3.3Å; V83-A89 WeakPolarHBondContact O-CB 3.44Å; V83-I92 HydrophobicContact CB-CG2 4.48Å; V83-I92 HydrophobicContact CG1-CB 3.86Å; V83-I92 HydrophobicContact CG1-CD1 4.44Å; V83-I92 HydrophobicContact CG1-CG2 3.45Å; V83-I92 VanDerWaalsContact CG1-CG2 3.45Å; V83-I92 HydrophobicContact CG2-CG2 4.2Å; V83-V93 HydrophobicContact CG1-CG2 4.38Å
84L82.8Confident85.6Confident1 Ų135.3 Ų35.31%0.00520%0.203CC..Hα-helixtrans-65.7-22.5179-67.3174.6000113.5F80 E81 V93 G641 Y642 A645 T648F80-L84 HydrophobicContact CD1-CD1 3.92Å; F80-L84 HydrophobicContact CD1-CG 4.27Å; F80-L84 HydrophobicContact CE1-CD1 3.64Å; F80-L84 HydrophobicContact CE1-CD2 4.14Å; F80-L84 HydrophobicContact CE1-CG 3.95Å; F80-L84 HydrophobicContact CZ-CD1 4.29Å; F80-L84 HydrophobicContact CZ-CD2 3.93Å; F80-L84 HydrophobicContact CZ-CG 4.13Å; F80-L84 WeakPolarHBondContact O-CG 3.17Å; F80-L84 PolarHBondContact O-N 3.46Å; E81-L84 PolarHBondContact O-N 3.23Å; L84-V93 HydrophobicContact CD2-CG2 4.5Å; L84-G641 WeakPolarHBondContact CB-O 3.05Å; L84-G641 WeakPolarHBondContact CD1-O 3.48Å; L84-Y642 HydrophobicContact CD1-CD1 3.74Å; L84-Y642 HydrophobicContact CD1-CE1 4.07Å; L84-Y642 HydrophobicContact CD1-CG 4.3Å; L84-A645 HydrophobicContact CD1-CB 3.68Å; L84-A645 HydrophobicContact CD2-CB 4.44Å; L84-T648 HydrophobicContact CD2-CG2 4.13Å
85C80.3Confident85.4Confident17 Ų1733.6 Ų33.612%0.11520%0.195CC..THydrogen-bonded Turntrans-83.8-8.6173.3-68.40000113.9E81 S82 V83 G641E81-C85 PolarHBondContact O-N 3.45Å; E81-C85 PolarHBondContact O-SG 3.19Å; S82-C85 PolarHBondContact O-N 3.06Å; V83-C85 PolarHBondContact O-N 2.96Å; C85-G641 WeakPolarHBondContact SG-CA 3.44Å; C85-G641 PolarHBondContact SG-N 3.31Å
86A80.3Confident85.3Confident27 Ų2728.1 Ų28.122%0.22317%0.17CC..SBendtrans-72.4145.8179.600000111.4S82 V83 D88 A89 I92S82-A86 PolarHBondContact O-N 2.98Å; V83-A86 WeakPolarHBondContact O-CB 3.04Å; V83-A86 PolarHBondContact O-N 3.07Å; A86-D88 PolarHBondContact O-N 2.77Å; A86-A89 WeakPolarHBondContact O-CB 3.46Å; A86-A89 PolarHBondContact O-N 3.25Å; A86-I92 HydrophobicContact CB-CD1 3.87Å
87P72.1Confident85.1Confident141 Ų14128.5 Ų28.592%0.91617%0.172SC*.THydrogen-bonded Turntrans-65.8-22.6-18028.2-35.2000113.3
88D76.2Confident84.9Confident63 Ų6328.4 Ų28.434%0.33717%0.172SC..THydrogen-bonded Turntrans-107.521179.257-22.5000112.6A86 L90 F91 I92 Y147A86-D88 PolarHBondContact O-N 2.77Å; D88-L90 PolarHBondContact O-N 2.97Å; D88-F91 PolarHBondContact O-N 3.29Å; D88-I92 PolarHBondContact O-N 3.34Å; D88-I92 VanDerWaalsContact O-N 3.14Å; D88-Y147 PolarHBondContact OD2-OH 3.19Å
89A80.6Confident84.9Confident8 Ų826.4 Ų26.47%0.06616%0.161CC..Hα-helixtrans-47.3-39.2-178.500000113.6V83 A86 F91 I92 V93 T648V83-A89 VanDerWaalsContact O-CB 3.3Å; V83-A89 WeakPolarHBondContact O-CB 3.44Å; A86-A89 WeakPolarHBondContact O-CB 3.46Å; A86-A89 PolarHBondContact O-N 3.25Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.35Å; A89-I92 PolarHBondContact O-N 3.21Å; A89-V93 WeakPolarHBondContact O-CB 3.28Å; A89-V93 VanDerWaalsContact O-CG2 3.28Å; A89-V93 WeakPolarHBondContact O-CG2 3.12Å; A89-V93 PolarHBondContact O-N 3.38Å; A89-T648 HydrophobicContact CB-CG2 4.22Å
90L80.7Confident84.5Confident18 Ų1827.9 Ų27.99%0.09416%0.159CC..Hα-helixtrans-56.7-44.9176.2-69.4173.5000112.8D88 A94 A299 T648 V652 K655 F656D88-L90 PolarHBondContact O-N 2.97Å; L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.47Å; L90-A299 HydrophobicContact CD1-CB 4.19Å; L90-T648 HydrophobicContact CD2-CG2 3.88Å; L90-T648 VanDerWaalsContact CD2-O 3.24Å; L90-T648 WeakPolarHBondContact CD2-O 3.43Å; L90-V652 HydrophobicContact CB-CG2 4.5Å; L90-V652 HydrophobicContact CD2-CG2 4.06Å; L90-V652 VanDerWaalsContact O-CG2 3.28Å; L90-V652 WeakPolarHBondContact O-CG2 3.28Å; L90-K655 HydrophobicContact CD1-CD 4.18Å; L90-F656 HydrophobicContact CB-CE2 4.37Å
91F82.8Confident84.1Confident41 Ų4131.2 Ų31.218%0.1818%0.18CC..Hα-helixtrans-74.3-35.4-179.7-71.7-82.1000111.5D88 A89 A94 F95 Y147 T151 F656D88-F91 PolarHBondContact O-N 3.29Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.35Å; F91-A94 PolarHBondContact O-N 3.32Å; F91-F95 WeakPolarHBondContact O-CB 3.37Å; F91-F95 PolarHBondContact O-N 3.25Å; F91-Y147 HydrophobicContact CB-CE2 4.36Å; F91-Y147 VanDerWaalsContact CB-OH 3.29Å; F91-Y147 WeakPolarHBondContact CB-OH 3.35Å; F91-T151 HydrophobicContact CB-CG2 3.84Å; F91-T151 HydrophobicContact CD1-CG2 3.65Å; F91-T151 HydrophobicContact CG-CG2 4.05Å; F91-F656 AromaticContact CD1-CE1 3.94Å; F91-F656 HydrophobicContact CD1-CE1 3.94Å; F91-F656 HydrophobicContact CD1-CE2 4.46Å; F91-F656 AromaticContact CD1-CZ 3.45Å; F91-F656 HydrophobicContact CD1-CZ 3.45Å; F91-F656 VanDerWaalsContact CD1-CZ 3.45Å; F91-F656 HydrophobicContact CD2-CZ 4.46Å; F91-F656 AromaticContact CE1-CE1 3.51Å; F91-F656 HydrophobicContact CE1-CE1 3.51Å; F91-F656 AromaticContact CE1-CZ 3.39Å; F91-F656 HydrophobicContact CE1-CZ 3.39Å; F91-F656 HydrophobicContact CE2-CZ 4.41Å; F91-F656 HydrophobicContact CG-CZ 4.02Å; F91-F656 HydrophobicContact CZ-CE1 4.12Å; F91-F656 AromaticContact CZ-CZ 3.9Å; F91-F656 HydrophobicContact CZ-CZ 3.9Å
92I85.5Confident83.7Confident33 Ų3333 Ų3317%0.16920%0.198CC..Hα-helixtrans-66-46.5176.2-57.2172.3000110.5V83 A86 D88 A89 A94 F95 Q96 Y147V83-I92 HydrophobicContact CB-CG2 4.48Å; V83-I92 HydrophobicContact CG1-CB 3.86Å; V83-I92 HydrophobicContact CG1-CD1 4.44Å; V83-I92 HydrophobicContact CG1-CG2 3.45Å; V83-I92 VanDerWaalsContact CG1-CG2 3.45Å; V83-I92 HydrophobicContact CG2-CG2 4.2Å; A86-I92 HydrophobicContact CB-CD1 3.87Å; D88-I92 PolarHBondContact O-N 3.34Å; D88-I92 VanDerWaalsContact O-N 3.14Å; A89-I92 PolarHBondContact O-N 3.21Å; I92-A94 VanDerWaalsContact C-N 3.34Å; I92-A94 PolarHBondContact O-N 3.02Å; I92-F95 WeakPolarHBondContact O-CB 3.4Å; I92-F95 PolarHBondContact O-N 3.41Å; I92-F95 VanDerWaalsContact O-N 3.16Å; I92-Q96 HydrophobicContact CG2-CG 4.43Å; I92-Q96 WeakPolarHBondContact O-CB 3.26Å; I92-Q96 WeakPolarHBondContact O-CG 3.36Å; I92-Q96 PolarHBondContact O-N 3.27Å; I92-Y147 HydrophobicContact CB-CE2 4.48Å; I92-Y147 HydrophobicContact CG1-CE2 3.98Å; I92-Y147 WeakPolarHBondContact CG1-OH 3.33Å
93V87.1Confident83.5Confident1 Ų135.1 Ų35.11%0.00621%0.209CC..Hα-helixtrans-61.2-43.6175.7169.80000110.8V63 F80 V83 L84 A89 F95 Q96 L97 T648 F649 V652V63-V93 HydrophobicContact CG1-CB 4.41Å; V63-V93 HydrophobicContact CG1-CG1 4.02Å; V63-V93 HydrophobicContact CG1-CG2 4.4Å; F80-V93 HydrophobicContact CE2-CG2 4.1Å; F80-V93 HydrophobicContact CZ-CG2 4.37Å; V83-V93 HydrophobicContact CG1-CG2 4.38Å; L84-V93 HydrophobicContact CD2-CG2 4.5Å; A89-V93 WeakPolarHBondContact O-CB 3.28Å; A89-V93 VanDerWaalsContact O-CG2 3.28Å; A89-V93 WeakPolarHBondContact O-CG2 3.12Å; A89-V93 PolarHBondContact O-N 3.38Å; V93-F95 VanDerWaalsContact C-N 3.33Å; V93-F95 PolarHBondContact O-N 3.4Å; V93-Q96 PolarHBondContact O-N 3.47Å; V93-L97 WeakPolarHBondContact O-CB 3.27Å; V93-L97 PolarHBondContact O-N 3.27Å; V93-T648 HydrophobicContact CB-CG2 4.32Å; V93-T648 HydrophobicContact CG2-CG2 3.82Å; V93-F649 HydrophobicContact CG1-CD1 3.79Å; V93-F649 HydrophobicContact CG1-CE1 3.61Å; V93-F649 HydrophobicContact CG1-CZ 4.45Å; V93-V652 HydrophobicContact CB-CG2 4.1Å; V93-V652 HydrophobicContact CG1-CG2 3.86Å
94A86.5Confident83.4Confident0 Ų035.8 Ų35.80%022%0.221CC..Hα-helixtrans-62.1-39.6174.600000112.1L90 F91 I92 L97 F98 L154 V652 F656L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.47Å; F91-A94 PolarHBondContact O-N 3.32Å; I92-A94 VanDerWaalsContact C-N 3.34Å; I92-A94 PolarHBondContact O-N 3.02Å; A94-L97 PolarHBondContact O-N 3.48Å; A94-F98 WeakPolarHBondContact O-CD2 3.26Å; A94-F98 PolarHBondContact O-N 3.4Å; A94-L154 HydrophobicContact CB-CD2 4.1Å; A94-V652 HydrophobicContact CB-CG1 4.08Å; A94-V652 HydrophobicContact CB-CG2 4.45Å; A94-F656 HydrophobicContact CB-CD2 3.92Å; A94-F656 HydrophobicContact CB-CE2 3.86Å
95F89.7Confident83.7Confident18 Ų1838.9 Ų38.98%0.07924%0.237CC..Hα-helixtrans-64.9-48.2176.3178.5-93.3000111.9F91 I92 V93 L97 F98 D99 G104 I106 Y147 F150F91-F95 WeakPolarHBondContact O-CB 3.37Å; F91-F95 PolarHBondContact O-N 3.25Å; I92-F95 WeakPolarHBondContact O-CB 3.4Å; I92-F95 PolarHBondContact O-N 3.41Å; I92-F95 VanDerWaalsContact O-N 3.16Å; V93-F95 VanDerWaalsContact C-N 3.33Å; V93-F95 PolarHBondContact O-N 3.4Å; F95-L97 VanDerWaalsContact C-N 3.27Å; F95-L97 PolarHBondContact O-N 3.24Å; F95-F98 CarbonylContact O-C 3.17Å; F95-F98 PolarHBondContact O-N 3.32Å; F95-D99 HydrophobicContact CE1-CB 4.32Å; F95-D99 PolarHBondContact O-N 3.29Å; F95-G104 WeakPolarHBondContact CZ-O 3.16Å; F95-I106 HydrophobicContact CD2-CD1 3.27Å; F95-I106 HydrophobicContact CD2-CG1 4.13Å; F95-I106 HydrophobicContact CE2-CD1 3.36Å; F95-I106 HydrophobicContact CE2-CG1 3.71Å; F95-I106 HydrophobicContact CG-CD1 4.03Å; F95-I106 HydrophobicContact CZ-CD1 4.18Å; F95-I106 HydrophobicContact CZ-CG1 4.16Å; F95-Y147 HydrophobicContact CB-CD2 3.71Å; F95-Y147 HydrophobicContact CB-CE2 3.95Å; F95-Y147 HydrophobicContact CD1-CD2 4.14Å; F95-Y147 AromaticContact CD2-CD2 3.79Å; F95-Y147 HydrophobicContact CD2-CD2 3.79Å; F95-Y147 HydrophobicContact CD2-CG 4.48Å; F95-Y147 VanDerWaalsContact CE2-CA 3.44Å; F95-Y147 HydrophobicContact CE2-CD2 4.48Å; F95-Y147 AromaticContact CG-CD2 3.61Å; F95-Y147 HydrophobicContact CG-CD2 3.61Å; F95-Y147 HydrophobicContact CG-CE2 4.35Å; F95-F150 HydrophobicContact CB-CD1 4.08Å; F95-F150 HydrophobicContact CB-CE1 4.27Å; F95-F150 HydrophobicContact CD2-CB 3.91Å; F95-F150 AromaticContact CD2-CD1 3.7Å; F95-F150 HydrophobicContact CD2-CD1 3.7Å; F95-F150 HydrophobicContact CD2-CE1 4.49Å; F95-F150 AromaticContact CD2-CG 3.95Å; F95-F150 HydrophobicContact CD2-CG 3.95Å; F95-F150 HydrophobicContact CE2-CB 4.19Å; F95-F150 HydrophobicContact CG-CD1 4.38Å
96Q89.1Confident84.3Confident40 Ų4038 Ų3819%0.18723%0.232CC..Hα-helixtrans-63.5-32.4178.6-75176.9-28.300112.5V63 I92 V93 F98 D99V63-Q96 HydrophobicContact CB-CB 4.43Å; V63-Q96 HydrophobicContact CG1-CB 3.75Å; V63-Q96 PolarHBondContact O-OE1 2.92Å; I92-Q96 HydrophobicContact CG2-CG 4.43Å; I92-Q96 WeakPolarHBondContact O-CB 3.26Å; I92-Q96 WeakPolarHBondContact O-CG 3.36Å; I92-Q96 PolarHBondContact O-N 3.27Å; V93-Q96 PolarHBondContact O-N 3.47Å; Q96-F98 VanDerWaalsContact C-N 3.26Å; Q96-F98 PolarHBondContact O-N 3.22Å; Q96-D99 PolarHBondContact O-N 3.11Å
97L87.9Confident84.8Confident15 Ų1538.1 Ų38.18%0.07923%0.231CC..Hα-helixtrans-62.8-33.5172.7-177.767.1000112.2L59 V63 V93 A94 F95 I114 L658L59-L97 HydrophobicContact CB-CD1 4.12Å; V63-L97 HydrophobicContact CG2-CB 3.98Å; V63-L97 HydrophobicContact CG2-CD1 4.02Å; V93-L97 WeakPolarHBondContact O-CB 3.27Å; V93-L97 PolarHBondContact O-N 3.27Å; A94-L97 PolarHBondContact O-N 3.48Å; F95-L97 VanDerWaalsContact C-N 3.27Å; F95-L97 PolarHBondContact O-N 3.24Å; L97-I114 HydrophobicContact CG-CG2 4.44Å; L97-L658 HydrophobicContact CD2-CD1 4.45Å
98F87.9Confident85.7Confident0 Ų032.1 Ų32.10%019%0.19CC..Hα-helixtrans-90.3-24.4178.8-80.2-109.6000112.8A94 F95 Q96 K100 I106 N110 V111 I114 F150 L154 L658A94-F98 WeakPolarHBondContact O-CD2 3.26Å; A94-F98 PolarHBondContact O-N 3.4Å; F95-F98 CarbonylContact O-C 3.17Å; F95-F98 PolarHBondContact O-N 3.32Å; Q96-F98 VanDerWaalsContact C-N 3.26Å; Q96-F98 PolarHBondContact O-N 3.22Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 3.39Å; F98-I106 HydrophobicContact CB-CD1 3.61Å; F98-I106 HydrophobicContact CB-CG1 4.19Å; F98-I106 HydrophobicContact CB-CG2 4.32Å; F98-N110 VanDerWaalsContact O-CB 3.23Å; F98-N110 WeakPolarHBondContact O-CB 3.4Å; F98-N110 PolarHBondContact O-ND2 3.12Å; F98-V111 HydrophobicContact CD1-CB 4.36Å; F98-V111 HydrophobicContact CD1-CG2 4.07Å; F98-V111 HydrophobicContact CE1-CB 4.42Å; F98-V111 HydrophobicContact CE1-CG1 4.25Å; F98-V111 HydrophobicContact CE1-CG2 4.46Å; F98-I114 HydrophobicContact CD1-CB 4.03Å; F98-I114 HydrophobicContact CD1-CG1 4.41Å; F98-I114 HydrophobicContact CD1-CG2 4.25Å; F98-I114 HydrophobicContact CD2-CG2 3.96Å; F98-I114 HydrophobicContact CE1-CB 3.86Å; F98-I114 HydrophobicContact CE1-CG2 3.88Å; F98-I114 HydrophobicContact CE2-CB 4.39Å; F98-I114 HydrophobicContact CE2-CG2 3.58Å; F98-I114 HydrophobicContact CG-CB 4.38Å; F98-I114 HydrophobicContact CG-CG1 4.47Å; F98-I114 HydrophobicContact CG-CG2 4.3Å; F98-I114 HydrophobicContact CZ-CB 4.07Å; F98-I114 HydrophobicContact CZ-CG2 3.55Å; F98-F150 HydrophobicContact CB-CE2 3.99Å; F98-F150 HydrophobicContact CB-CZ 3.79Å; F98-F150 AromaticContact CD1-CE2 3.79Å; F98-F150 HydrophobicContact CD1-CE2 3.79Å; F98-F150 AromaticContact CD1-CZ 3.89Å; F98-F150 HydrophobicContact CD1-CZ 3.89Å; F98-F150 HydrophobicContact CD2-CE2 4.38Å; F98-F150 AromaticContact CD2-CZ 3.64Å; F98-F150 HydrophobicContact CD2-CZ 3.64Å; F98-F150 HydrophobicContact CE1-CE2 4.34Å; F98-F150 HydrophobicContact CE1-CZ 4.36Å; F98-F150 HydrophobicContact CE2-CZ 4.11Å; F98-F150 AromaticContact CG-CE2 3.8Å; F98-F150 HydrophobicContact CG-CE2 3.8Å; F98-F150 AromaticContact CG-CZ 3.49Å; F98-F150 HydrophobicContact CG-CZ 3.49Å; F98-F150 VanDerWaalsContact CG-CZ 3.49Å; F98-F150 HydrophobicContact CZ-CZ 4.45Å; F98-L154 HydrophobicContact CZ-CD1 4.45Å; F98-L658 HydrophobicContact CE2-CD1 3.61Å; F98-L658 HydrophobicContact CE2-CD2 3.96Å; F98-L658 HydrophobicContact CE2-CG 4.44Å; F98-L658 HydrophobicContact CZ-CD1 4.22Å; F98-L658 HydrophobicContact CZ-CD2 3.71Å
99D89.4Confident86.4Confident11 Ų1134.8 Ų34.86%0.05920%0.201CC..  trans-80.680.6173.3-173.17.8000111.7K68 F95 Q96 T101 G102 T103 G104 I106K68-D99 WeakPolarHBondContact CE-O 3.4Å; K68-D99 PolarHBondContact NZ-O 3.24Å; F95-D99 HydrophobicContact CE1-CB 4.32Å; F95-D99 PolarHBondContact O-N 3.29Å; Q96-D99 PolarHBondContact O-N 3.11Å; D99-T101 PolarHBondContact O-N 3.31Å; D99-T101 PolarHBondContact OD1-N 3.14Å; D99-T101 PolarHBondContact OD1-OG1 3.46Å; D99-G102 PolarHBondContact OD1-N 3.36Å; D99-G102 WeakPolarHBondContact OD2-CA 3.04Å; D99-T103 PolarHBondContact OD1-N 3.41Å; D99-T103 PolarHBondContact OD2-N 2.85Å; D99-G104 WeakPolarHBondContact OD2-CA 3.23Å; D99-G104 PolarHBondContact OD2-N 2.89Å; D99-I106 HydrophobicContact CB-CG1 4.3Å
100K82.2Confident86.8Confident78 Ų7834.9 Ų34.934%0.33920%0.2SC..THydrogen-bonded Turntrans-63.4-21.6173.2-68.8-171.7177.3-178.20113.6K68 F98 D113K68-K100 WeakPolarHBondContact CD-O 3.5Å; K68-K100 WeakPolarHBondContact CE-O 3.32Å; K68-K100 WeakPolarHBondContact CG-O 3.28Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 3.39Å; K100-D113 IonicContact NZ-OD2 3.43Å; K100-D113 PolarHBondContact NZ-OD2 3.47Å; K100-D113 VanDerWaalsContact NZ-OD2 3.13Å
101T81.6Confident87.1Confident74 Ų7434 Ų3445%0.45420%0.196SC..THydrogen-bonded Turntrans-96.1-15-171.558.50000113.7D99 T103D99-T101 PolarHBondContact O-N 3.31Å; D99-T101 PolarHBondContact OD1-N 3.14Å; D99-T101 PolarHBondContact OD1-OG1 3.46Å; T101-T103 PolarHBondContact O-N 3.05Å; T101-T103 PolarHBondContact OG1-OG1 3.09Å
102G81.1Confident87.4Confident38 Ų3836.4 Ų36.439%0.39220%0.203SC..SBendtrans66.414.9-174.600000113.7D99 G104D99-G102 PolarHBondContact OD1-N 3.36Å; D99-G102 WeakPolarHBondContact OD2-CA 3.04Å; G102-G104 VanDerWaalsContact C-N 3.29Å; G102-G104 PolarHBondContact O-N 3.49Å
103T82.8Confident87.4Confident90 Ų9037 Ų3755%0.55221%0.207SC*.SBendtrans-83.8-5.5-175.660.40000113.2D99 T101 N105D99-T103 PolarHBondContact OD1-N 3.41Å; D99-T103 PolarHBondContact OD2-N 2.85Å; T101-T103 PolarHBondContact O-N 3.05Å; T101-T103 PolarHBondContact OG1-OG1 3.09Å; T103-N105 VanDerWaalsContact C-N 3.27Å
104G84.8Confident87.2Confident38 Ų3837 Ų3739%0.39221%0.207SC..SBendtrans75.216.2-174.400000113.3F95 D99 G102F95-G104 WeakPolarHBondContact CZ-O 3.16Å; D99-G104 WeakPolarHBondContact OD2-CA 3.23Å; D99-G104 PolarHBondContact OD2-N 2.89Å; G102-G104 VanDerWaalsContact C-N 3.29Å; G102-G104 PolarHBondContact O-N 3.49Å
105N89.8Confident87.1Confident65 Ų6537.7 Ų37.735%0.34821%0.21SC..  trans-140.2144.9177.8-68.5-62.4000110.8T103 N144T103-N105 VanDerWaalsContact C-N 3.27Å; N105-N144 HydrophobicContact CB-CB 3.96Å
106I91.4Very high86.7Confident0 Ų038.6 Ų38.60%022%0.219CC..BIsolated β-bridgetrans-107.7121.8-178.2-66.4169.6000110.4F95 F98 D99 N110 V111 N144 L145 F150F95-I106 HydrophobicContact CD2-CD1 3.27Å; F95-I106 HydrophobicContact CD2-CG1 4.13Å; F95-I106 HydrophobicContact CE2-CD1 3.36Å; F95-I106 HydrophobicContact CE2-CG1 3.71Å; F95-I106 HydrophobicContact CG-CD1 4.03Å; F95-I106 HydrophobicContact CZ-CD1 4.18Å; F95-I106 HydrophobicContact CZ-CG1 4.16Å; F98-I106 HydrophobicContact CB-CD1 3.61Å; F98-I106 HydrophobicContact CB-CG1 4.19Å; F98-I106 HydrophobicContact CB-CG2 4.32Å; D99-I106 HydrophobicContact CB-CG1 4.3Å; I106-N110 HydrophobicContact CG2-CB 4.07Å; I106-V111 HydrophobicContact CG2-CG2 3.51Å; I106-N144 CarbonylContact O-C 3.55Å; I106-N144 WeakPolarHBondContact O-CA 3.39Å; I106-L145 PolarHBondContact N-O 3.27Å; I106-L145 PolarHBondContact O-N 3.08Å; I106-F150 HydrophobicContact CB-CD2 4.4Å; I106-F150 HydrophobicContact CD1-CB 3.98Å; I106-F150 HydrophobicContact CD1-CD1 3.77Å; I106-F150 HydrophobicContact CD1-CD2 3.29Å; I106-F150 HydrophobicContact CD1-CE1 4.03Å; I106-F150 HydrophobicContact CD1-CE2 3.59Å; I106-F150 HydrophobicContact CD1-CG 3.38Å; I106-F150 HydrophobicContact CD1-CZ 3.94Å; I106-F150 HydrophobicContact CG1-CD2 4.43Å; I106-F150 HydrophobicContact CG2-CD2 4.21Å; I106-F150 HydrophobicContact CG2-CE2 4.37Å
107S92.6Very high86.2Confident28 Ų2839.2 Ų39.220%0.19622%0.222CC..  trans-83.8164.9174.671.30000112.1E109 N110 V111S107-E109 VanDerWaalsContact C-N 3.27Å; S107-E109 PolarHBondContact O-N 3.33Å; S107-N110 WeakPolarHBondContact O-CB 3.44Å; S107-N110 PolarHBondContact O-N 2.86Å; S107-N110 VanDerWaalsContact OG-CG 3.23Å; S107-N110 PolarHBondContact OG-N 3.02Å; S107-N110 PolarHBondContact OG-OD1 3.21Å; S107-V111 PolarHBondContact O-N 3.29Å
108F91.1Very high85.7Confident16 Ų1638.5 Ų38.57%0.0722%0.218CC..Hα-helixtrans-57.8-40.2173169.4-102.7000112.4V111 R112 W128 I133 F137 R141F108-V111 PolarHBondContact O-N 2.83Å; F108-R112 PolarHBondContact O-N 3.42Å; F108-W128 HydrophobicContact CE2-CD2 4.49Å; F108-W128 AromaticContact CE2-CE3 3.77Å; F108-W128 HydrophobicContact CE2-CE3 3.77Å; F108-W128 HydrophobicContact CE2-CZ3 4.47Å; F108-W128 HydrophobicContact CZ-CB 4.16Å; F108-W128 HydrophobicContact CZ-CE3 4.21Å; F108-I133 HydrophobicContact CD2-CG2 3.85Å; F108-I133 HydrophobicContact CE2-CG2 3.54Å; F108-F137 HydrophobicContact CB-CB 4.49Å; F108-F137 HydrophobicContact CB-CD1 3.67Å; F108-F137 HydrophobicContact CB-CE1 4.06Å; F108-F137 HydrophobicContact CB-CG 4.03Å; F108-F137 HydrophobicContact CD2-CD2 4.18Å; F108-F137 HydrophobicContact CD2-CE2 4.47Å; F108-F137 HydrophobicContact CD2-CG 4.26Å; F108-R141 HydrophobicContact CB-CB 4.12Å; F108-R141 HydrophobicContact CD1-CB 4.21Å; F108-R141 HydrophobicContact CD1-CG 4.5Å; F108-R141 HydrophobicContact CG-CB 4.05Å; F108-R141 HydrophobicContact CG-CG 4.36Å
109E89.6Confident84.9Confident118 Ų11840.9 Ų40.955%0.55123%0.232SC*.Hα-helixtrans-65-41.3-178.8-62.2-172.815900111.5S107 V111 R112 D113S107-E109 VanDerWaalsContact C-N 3.27Å; S107-E109 PolarHBondContact O-N 3.33Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-V111 PolarHBondContact O-N 2.72Å; E109-R112 PolarHBondContact O-N 2.65Å; E109-D113 VanDerWaalsContact O-CB 3.31Å; E109-D113 WeakPolarHBondContact O-CB 3.45Å; E109-D113 PolarHBondContact O-N 2.83Å
110N88.6Confident83.8Confident11 Ų1140.7 Ų40.76%0.05923%0.232CC..Hα-helixtrans-56.4-48.2174.9-75.15.4000111.7F98 I106 S107 D113 I114F98-N110 VanDerWaalsContact O-CB 3.23Å; F98-N110 WeakPolarHBondContact O-CB 3.4Å; F98-N110 PolarHBondContact O-ND2 3.12Å; I106-N110 HydrophobicContact CG2-CB 4.07Å; S107-N110 WeakPolarHBondContact O-CB 3.44Å; S107-N110 PolarHBondContact O-N 2.86Å; S107-N110 VanDerWaalsContact OG-CG 3.23Å; S107-N110 PolarHBondContact OG-N 3.02Å; S107-N110 PolarHBondContact OG-OD1 3.21Å; N110-D113 PolarHBondContact O-N 3.3Å; N110-I114 WeakPolarHBondContact O-CG1 3.27Å; N110-I114 PolarHBondContact O-N 3.07Å; N110-I114 VanDerWaalsContact O-N 3.09Å
111V88.6Confident83.1Confident0 Ų038.4 Ų38.40%022%0.222CC..Hα-helixtrans-62-49.5177.5176.90000111.4F98 I106 S107 F108 E109 D113 F115 W128 F137 F150 F153 L157F98-V111 HydrophobicContact CD1-CB 4.36Å; F98-V111 HydrophobicContact CD1-CG2 4.07Å; F98-V111 HydrophobicContact CE1-CB 4.42Å; F98-V111 HydrophobicContact CE1-CG1 4.25Å; F98-V111 HydrophobicContact CE1-CG2 4.46Å; I106-V111 HydrophobicContact CG2-CG2 3.51Å; S107-V111 PolarHBondContact O-N 3.29Å; F108-V111 PolarHBondContact O-N 2.83Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-V111 PolarHBondContact O-N 2.72Å; V111-D113 VanDerWaalsContact C-N 3.31Å; V111-D113 PolarHBondContact O-N 2.85Å; V111-F115 WeakPolarHBondContact O-CB 3.44Å; V111-F115 PolarHBondContact O-N 2.83Å; V111-W128 HydrophobicContact CG1-CH2 4.04Å; V111-W128 HydrophobicContact CG1-CZ3 3.93Å; V111-F137 HydrophobicContact CG2-CZ 3.9Å; V111-F150 HydrophobicContact CG2-CE2 4.47Å; V111-F153 HydrophobicContact CB-CE1 4.48Å; V111-F153 HydrophobicContact CG1-CE1 3.67Å; V111-F153 HydrophobicContact CG1-CZ 3.91Å; V111-F153 HydrophobicContact CG2-CE1 3.99Å; V111-L157 HydrophobicContact CG1-CD2 4.38Å
112R87.4Confident82.3Confident90 Ų9041.1 Ų41.134%0.3423%0.23SC..Hα-helixtrans-58.6-45.5-179.4-175.7-165.466-162.2-7.9111.2F108 E109 S116 W128F108-R112 PolarHBondContact O-N 3.42Å; E109-R112 PolarHBondContact O-N 2.65Å; R112-S116 WeakPolarHBondContact O-CB 3.42Å; R112-S116 PolarHBondContact O-N 2.92Å; R112-S116 PolarHBondContact O-OG 3.39Å; R112-W128 HydrophobicContact CB-CD2 4.45Å; R112-W128 HydrophobicContact CB-CE3 4.48Å; R112-W128 HydrophobicContact CB-CH2 4.3Å; R112-W128 HydrophobicContact CB-CZ2 4.26Å; R112-W128 HydrophobicContact CB-CZ3 4.41Å; R112-W128 HydrophobicContact CG-CD2 4.1Å; R112-W128 HydrophobicContact CG-CZ2 4.09Å
113D85.8Confident81.8Confident47 Ų4746 Ų4625%0.25124%0.242SC..Hα-helixtrans-70.2-41.6-174.7-70.53000112.5K100 E109 N110 V111 S116 Q117K100-D113 IonicContact NZ-OD2 3.43Å; K100-D113 PolarHBondContact NZ-OD2 3.47Å; K100-D113 VanDerWaalsContact NZ-OD2 3.13Å; E109-D113 VanDerWaalsContact O-CB 3.31Å; E109-D113 WeakPolarHBondContact O-CB 3.45Å; E109-D113 PolarHBondContact O-N 2.83Å; N110-D113 PolarHBondContact O-N 3.3Å; V111-D113 VanDerWaalsContact C-N 3.31Å; V111-D113 PolarHBondContact O-N 2.85Å; D113-S116 PolarHBondContact O-OG 3.04Å; D113-S116 VanDerWaalsContact O-OG 3.11Å; D113-Q117 VanDerWaalsContact O-CG 3.27Å; D113-Q117 WeakPolarHBondContact O-CG 3.21Å; D113-Q117 PolarHBondContact O-N 3.48Å; D113-Q117 PolarHBondContact O-NE2 2.55Å
114I84.1Confident81.6Confident1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-71.7-45.2177.9-63.4-62000110.3L59 L97 F98 N110 S116 Q117L59-I114 HydrophobicContact CD2-CD1 3.53Å; L97-I114 HydrophobicContact CG-CG2 4.44Å; F98-I114 HydrophobicContact CD1-CB 4.03Å; F98-I114 HydrophobicContact CD1-CG1 4.41Å; F98-I114 HydrophobicContact CD1-CG2 4.25Å; F98-I114 HydrophobicContact CD2-CG2 3.96Å; F98-I114 HydrophobicContact CE1-CB 3.86Å; F98-I114 HydrophobicContact CE1-CG2 3.88Å; F98-I114 HydrophobicContact CE2-CB 4.39Å; F98-I114 HydrophobicContact CE2-CG2 3.58Å; F98-I114 HydrophobicContact CG-CB 4.38Å; F98-I114 HydrophobicContact CG-CG1 4.47Å; F98-I114 HydrophobicContact CG-CG2 4.3Å; F98-I114 HydrophobicContact CZ-CB 4.07Å; F98-I114 HydrophobicContact CZ-CG2 3.55Å; N110-I114 WeakPolarHBondContact O-CG1 3.27Å; N110-I114 PolarHBondContact O-N 3.07Å; N110-I114 VanDerWaalsContact O-N 3.09Å; I114-S116 VanDerWaalsContact C-N 3.34Å; I114-S116 PolarHBondContact O-N 3.28Å; I114-Q117 PolarHBondContact O-N 3.26Å
115F82.8Confident81.4Confident13 Ų1344 Ų446%0.05722%0.223CC..Hα-helixtrans-66.1-37.2-178.9-162.5-95.6000112.2V111 Q117 T118 H121 F126 W128 L157 H161 L658V111-F115 WeakPolarHBondContact O-CB 3.44Å; V111-F115 PolarHBondContact O-N 2.83Å; F115-Q117 PolarHBondContact O-N 3.05Å; F115-T118 WeakPolarHBondContact O-CB 3.23Å; F115-T118 PolarHBondContact O-N 2.97Å; F115-T118 VanDerWaalsContact O-N 3.12Å; F115-T118 PolarHBondContact O-OG1 2.83Å; F115-H121 HydrophobicContact CD1-CB 4.32Å; F115-H121 AromaticContact CD1-CD2 3.86Å; F115-H121 HydrophobicContact CE1-CB 4.34Å; F115-H121 AromaticContact CE1-CD2 3.95Å; F115-H121 WeakPolarHBondContact O-CB 2.76Å; F115-F126 HydrophobicContact CD1-CB 4.46Å; F115-F126 HydrophobicContact CE1-CB 4.02Å; F115-F126 HydrophobicContact CE1-CG 4.38Å; F115-W128 HydrophobicContact CB-CH2 3.79Å; F115-W128 HydrophobicContact CB-CZ2 4.02Å; F115-W128 HydrophobicContact CD1-CH2 4.01Å; F115-W128 AromaticContact CD1-CZ2 3.85Å; F115-W128 HydrophobicContact CD1-CZ2 3.85Å; F115-W128 HydrophobicContact CG-CH2 4.11Å; F115-W128 HydrophobicContact CG-CZ2 4.3Å; F115-L157 HydrophobicContact CD2-CD2 3.75Å; F115-L157 HydrophobicContact CE2-CD2 3.8Å; F115-L157 HydrophobicContact CE2-CG 4.28Å; F115-L157 HydrophobicContact CG-CD2 4.4Å; F115-L157 HydrophobicContact CZ-CD2 4.48Å; F115-H161 AromaticContact CZ-ND1 3.67Å; F115-L658 HydrophobicContact CD2-CD2 4.38Å
116S81.3Confident81.3Confident38 Ų3841.3 Ų41.327%0.26621%0.208SC..Hα-helixtrans-68.7-19.6177.160.60000114.2R112 D113 I114 T118R112-S116 WeakPolarHBondContact O-CB 3.42Å; R112-S116 PolarHBondContact O-N 2.92Å; R112-S116 PolarHBondContact O-OG 3.39Å; D113-S116 PolarHBondContact O-OG 3.04Å; D113-S116 VanDerWaalsContact O-OG 3.11Å; I114-S116 VanDerWaalsContact C-N 3.34Å; I114-S116 PolarHBondContact O-N 3.28Å; S116-T118 VanDerWaalsContact C-N 3.33Å
117Q78.8Confident81.2Confident52 Ų5245 Ų4524%0.24323%0.228CC..THydrogen-bonded Turntrans-82.1-11.2173.5-72.9174.768.500113D113 I114 F115 P661D113-Q117 VanDerWaalsContact O-CG 3.27Å; D113-Q117 WeakPolarHBondContact O-CG 3.21Å; D113-Q117 PolarHBondContact O-N 3.48Å; D113-Q117 PolarHBondContact O-NE2 2.55Å; I114-Q117 PolarHBondContact O-N 3.26Å; F115-Q117 PolarHBondContact O-N 3.05Å; Q117-P661 VanDerWaalsContact O-CD 3.23Å; Q117-P661 WeakPolarHBondContact O-CD 3.37Å
118T78.4Confident81Confident1 Ų145.2 Ų45.21%0.00622%0.224CC..SBendtrans-74.6145.6179.567.40000112F115 S116 V120 H121 H122 L658 H659F115-T118 WeakPolarHBondContact O-CB 3.23Å; F115-T118 PolarHBondContact O-N 2.97Å; F115-T118 VanDerWaalsContact O-N 3.12Å; F115-T118 PolarHBondContact O-OG1 2.83Å; S116-T118 VanDerWaalsContact C-N 3.33Å; T118-V120 PolarHBondContact O-N 2.97Å; T118-H121 PolarHBondContact O-N 2.87Å; T118-H122 PolarHBondContact O-CD2 3.32Å; T118-H122 VanDerWaalsContact O-CD2 3.27Å; T118-L658 HydrophobicContact CG2-CD2 4.15Å; T118-H659 WeakPolarHBondContact CA-O 3.43Å
119T70.4Confident80.9Confident49 Ų4949.3 Ų49.330%0.30125%0.247SC..Hα-helixtrans-61.7-28.2178.957.30000113.1H122 H123 H659T119-H122 PolarHBondContact O-N 3.28Å; T119-H123 PolarHBondContact O-ND1 3.13Å; T119-H659 PolarHBondContact N-O 3.38Å; T119-H659 WeakPolarHBondContact OG1-CB 3.18Å; T119-H659 PolarHBondContact OG1-O 3.2Å
120V67.8Low81Confident8 Ų844.4 Ų44.45%0.04823%0.225CC..Hα-helixtrans-66.5-42.1-179.5176.50000111.4T118 H122 H123 I189T118-V120 PolarHBondContact O-N 2.97Å; V120-H122 VanDerWaalsContact C-N 3.32Å; V120-H122 PolarHBondContact O-N 3.48Å; V120-H123 PolarHBondContact O-N 3.49Å; V120-I189 HydrophobicContact CG1-CB 4.25Å; V120-I189 HydrophobicContact CG1-CG1 4.18Å; V120-I189 HydrophobicContact CG1-CG2 4.19Å
121H65.5Low81.2Confident29 Ų2950.9 Ų50.913%0.13426%0.255CS..Hα-helixtrans-67.9-30.1179.5-176-90.8000113.1F115 T118 H123 I124 F126 W128F115-H121 HydrophobicContact CD1-CB 4.32Å; F115-H121 AromaticContact CD1-CD2 3.86Å; F115-H121 HydrophobicContact CE1-CB 4.34Å; F115-H121 AromaticContact CE1-CD2 3.95Å; F115-H121 WeakPolarHBondContact O-CB 2.76Å; T118-H121 PolarHBondContact O-N 2.87Å; H121-H123 VanDerWaalsContact C-N 3.26Å; H121-H123 PolarHBondContact O-N 3.32Å; H121-I124 CarbonylContact O-C 3.42Å; H121-F126 PolarHBondContact CD2-N 3.49Å; H121-F126 VanDerWaalsContact CD2-N 3.33Å; H121-F126 PolarHBondContact NE2-N 2.84Å; H121-F126 VanDerWaalsContact NE2-N 3.12Å; H121-W128 AromaticContact NE2-NE1 3.87Å
122H65.8Low81.4Confident132 Ų13252 Ų5261%0.61126%0.26SS*.Hα-helixtrans-65.9-26.2-179.5-74.4-62000113.8T118 T119 V120T118-H122 PolarHBondContact O-CD2 3.32Å; T118-H122 VanDerWaalsContact O-CD2 3.27Å; T119-H122 PolarHBondContact O-N 3.28Å; V120-H122 VanDerWaalsContact C-N 3.32Å; V120-H122 PolarHBondContact O-N 3.48Å
123H70.5Confident81.7Confident140 Ų14047.8 Ų47.865%0.64824%0.244SC*.Hα-helixtrans-91.3-39.8-179.1-67.383.3000112.4T119 V120 H121 T188T119-H123 PolarHBondContact O-ND1 3.13Å; V120-H123 PolarHBondContact O-N 3.49Å; H121-H123 VanDerWaalsContact C-N 3.26Å; H121-H123 PolarHBondContact O-N 3.32Å; H123-T188 HydrophobicContact CB-CG2 3.36Å
124I77.7Confident82Confident13 Ų1350.9 Ų50.97%0.06725%0.252CS..SBendtrans-131.1106.3176.5-62.2176.2000108.6H121 H161 A165 T188 I189H121-I124 CarbonylContact O-C 3.42Å; I124-H161 PolarHBondContact O-NE2 3.23Å; I124-A165 HydrophobicContact CD1-CB 4.25Å; I124-A165 HydrophobicContact CG2-CB 4Å; I124-T188 HydrophobicContact CD1-CG2 3.97Å; I124-T188 HydrophobicContact CG1-CG2 4.06Å; I124-I189 HydrophobicContact CB-CD1 4.16Å; I124-I189 HydrophobicContact CB-CG1 4.45Å; I124-I189 HydrophobicContact CD1-CD1 3.77Å; I124-I189 HydrophobicContact CD1-CG1 4.03Å; I124-I189 HydrophobicContact CG2-CD1 4.12Å
125P82.1Confident82.5Confident73 Ų7357 Ų5747%0.47428%0.284SS..  trans-68.4141.6-174.528.1-34.3000111.2Q168P125-Q168 PolarHBondContact O-NE2 3.07Å
126F86.3Confident82.9Confident8 Ų858.1 Ų58.14%0.03529%0.29CS..  trans-86.9131.4174.2-176.3-93.5000110.1F115 H121 W128 F132 I133 L157 E160 H161F115-F126 HydrophobicContact CD1-CB 4.46Å; F115-F126 HydrophobicContact CE1-CB 4.02Å; F115-F126 HydrophobicContact CE1-CG 4.38Å; H121-F126 PolarHBondContact CD2-N 3.49Å; H121-F126 VanDerWaalsContact CD2-N 3.33Å; H121-F126 PolarHBondContact NE2-N 2.84Å; H121-F126 VanDerWaalsContact NE2-N 3.12Å; F126-W128 AromaticContact CD1-CD2 3.61Å; F126-W128 HydrophobicContact CD1-CD2 3.61Å; F126-W128 AromaticContact CD1-CE2 3.74Å; F126-W128 AromaticContact CD1-CE3 3.73Å; F126-W128 HydrophobicContact CD1-CE3 3.73Å; F126-W128 HydrophobicContact CD1-CG 4.1Å; F126-W128 HydrophobicContact CD1-CH2 4.13Å; F126-W128 HydrophobicContact CD1-CZ2 4.02Å; F126-W128 HydrophobicContact CD1-CZ3 4Å; F126-W128 HydrophobicContact CE1-CD2 4.05Å; F126-W128 AromaticContact CE1-CE3 3.72Å; F126-W128 HydrophobicContact CE1-CE3 3.72Å; F126-W128 HydrophobicContact CE1-CH2 4.49Å; F126-W128 AromaticContact CE1-CZ3 3.98Å; F126-W128 HydrophobicContact CE1-CZ3 3.98Å; F126-W128 PolarHBondContact O-N 3.42Å; F126-F132 HydrophobicContact CZ-CD1 4.27Å; F126-I133 HydrophobicContact CE1-CD1 4.05Å; F126-I133 HydrophobicContact CE1-CG1 3.98Å; F126-I133 HydrophobicContact CZ-CD1 4.38Å; F126-I133 HydrophobicContact CZ-CG1 4.39Å; F126-L157 HydrophobicContact CD2-CD1 4.38Å; F126-L157 HydrophobicContact CE1-CD1 4.03Å; F126-L157 HydrophobicContact CE2-CD1 3.66Å; F126-L157 HydrophobicContact CZ-CD1 3.46Å; F126-L157 VanDerWaalsContact CZ-CD1 3.46Å; F126-E160 HydrophobicContact CE2-CB 4.5Å; F126-E160 HydrophobicContact CE2-CG 4.3Å; F126-E160 HydrophobicContact CZ-CG 4.47Å; F126-H161 HydrophobicContact CD2-CB 3.84Å; F126-H161 AromaticContact CD2-CD2 3.91Å; F126-H161 AromaticContact CD2-CG 3.99Å; F126-H161 HydrophobicContact CE2-CB 4.17Å
127N90Very high83.5Confident78 Ų7856.3 Ų56.342%0.41728%0.277SS..  trans-81.3104.5174.5-178.615.7000110.3D129 C130 Q164N127-D129 VanDerWaalsContact C-N 3.3Å; N127-D129 PolarHBondContact O-N 3.12Å; N127-D129 PolarHBondContact OD1-N 3.47Å; N127-C130 PolarHBondContact O-SG 2.85Å; N127-Q164 PolarHBondContact O-NE2 2.94Å
128W88.9Confident84Confident33 Ų3355.3 Ų55.313%0.12528%0.28CS..SBendtrans-73-20.1176.7-60.9100000113.6F108 V111 R112 F115 H121 F126 C130 I133 R141F108-W128 HydrophobicContact CE2-CD2 4.49Å; F108-W128 AromaticContact CE2-CE3 3.77Å; F108-W128 HydrophobicContact CE2-CE3 3.77Å; F108-W128 HydrophobicContact CE2-CZ3 4.47Å; F108-W128 HydrophobicContact CZ-CB 4.16Å; F108-W128 HydrophobicContact CZ-CE3 4.21Å; V111-W128 HydrophobicContact CG1-CH2 4.04Å; V111-W128 HydrophobicContact CG1-CZ3 3.93Å; R112-W128 HydrophobicContact CB-CD2 4.45Å; R112-W128 HydrophobicContact CB-CE3 4.48Å; R112-W128 HydrophobicContact CB-CH2 4.3Å; R112-W128 HydrophobicContact CB-CZ2 4.26Å; R112-W128 HydrophobicContact CB-CZ3 4.41Å; R112-W128 HydrophobicContact CG-CD2 4.1Å; R112-W128 HydrophobicContact CG-CZ2 4.09Å; F115-W128 HydrophobicContact CB-CH2 3.79Å; F115-W128 HydrophobicContact CB-CZ2 4.02Å; F115-W128 HydrophobicContact CD1-CH2 4.01Å; F115-W128 AromaticContact CD1-CZ2 3.85Å; F115-W128 HydrophobicContact CD1-CZ2 3.85Å; F115-W128 HydrophobicContact CG-CH2 4.11Å; F115-W128 HydrophobicContact CG-CZ2 4.3Å; H121-W128 AromaticContact NE2-NE1 3.87Å; F126-W128 AromaticContact CD1-CD2 3.61Å; F126-W128 HydrophobicContact CD1-CD2 3.61Å; F126-W128 AromaticContact CD1-CE2 3.74Å; F126-W128 AromaticContact CD1-CE3 3.73Å; F126-W128 HydrophobicContact CD1-CE3 3.73Å; F126-W128 HydrophobicContact CD1-CG 4.1Å; F126-W128 HydrophobicContact CD1-CH2 4.13Å; F126-W128 HydrophobicContact CD1-CZ2 4.02Å; F126-W128 HydrophobicContact CD1-CZ3 4Å; F126-W128 HydrophobicContact CE1-CD2 4.05Å; F126-W128 AromaticContact CE1-CE3 3.72Å; F126-W128 HydrophobicContact CE1-CE3 3.72Å; F126-W128 HydrophobicContact CE1-CH2 4.49Å; F126-W128 AromaticContact CE1-CZ3 3.98Å; F126-W128 HydrophobicContact CE1-CZ3 3.98Å; F126-W128 PolarHBondContact O-N 3.42Å; W128-C130 VanDerWaalsContact C-N 3.26Å; W128-C130 PolarHBondContact O-N 3.28Å; W128-I133 HydrophobicContact CE3-CD1 4Å; W128-I133 HydrophobicContact CE3-CG1 4.32Å; W128-I133 HydrophobicContact CZ3-CD1 4.13Å; W128-I133 WeakPolarHBondContact O-CB 3.4Å; W128-R141 PolarHBondContact O-NH2 2.68Å
129D89.3Confident84.5Confident102 Ų10262.4 Ų62.455%0.54531%0.313SS..SBendtrans-90.252.2176.3-64.9-47000111.3N127 R141N127-D129 VanDerWaalsContact C-N 3.3Å; N127-D129 PolarHBondContact O-N 3.12Å; N127-D129 PolarHBondContact OD1-N 3.47Å; D129-R141 IonicContact OD1-CZ 2.74Å; D129-R141 IonicContact OD1-NH1 3.51Å; D129-R141 PolarHBondContact OD1-NH1 3.09Å; D129-R141 IonicContact OD1-NH2 3.58Å; D129-R141 PolarHBondContact OD1-NH2 3.2Å
130C90.9Very high85.3Confident14 Ų1467.3 Ų67.310%0.09533%0.333CS..SBendtrans-115160.6177.863.80000112.4N127 W128 F132 I133 R134N127-C130 PolarHBondContact O-SG 2.85Å; W128-C130 VanDerWaalsContact C-N 3.26Å; W128-C130 PolarHBondContact O-N 3.28Å; C130-F132 PolarHBondContact O-N 2.95Å; C130-I133 PolarHBondContact O-N 3.44Å; C130-R134 PolarHBondContact O-N 2.87Å
131E92.9Very high86.4Confident148 Ų14870.1 Ų70.169%0.69234%0.342SS*.Hα-helixtrans-58.8-38177.1-173.9174-172.300111.7I133 R134 L135E131-I133 PolarHBondContact O-N 3.42Å; E131-R134 PolarHBondContact O-N 3.34Å; E131-R134 VanDerWaalsContact O-N 3.08Å; E131-L135 HydrophobicContact CG-CD1 4.15Å; E131-L135 HydrophobicContact CG-CG 4.29Å; E131-L135 WeakPolarHBondContact O-CG 3.18Å; E131-L135 PolarHBondContact O-N 3.44Å
132F93.4Very high87.5Confident24 Ų2474.3 Ų74.311%0.10537%0.366CS..Hα-helixtrans-53.1-50175.8171.8-102.1000112.8F126 C130 R134 L135 H136 F153 E156 L157 E160F126-F132 HydrophobicContact CZ-CD1 4.27Å; C130-F132 PolarHBondContact O-N 2.95Å; F132-R134 VanDerWaalsContact C-N 3.32Å; F132-R134 PolarHBondContact O-N 3.5Å; F132-L135 PolarHBondContact O-N 2.95Å; F132-H136 AromaticContact CD2-CD2 3.81Å; F132-H136 AromaticContact CE2-CD2 3.38Å; F132-H136 WeakPolarHBondContact CE2-CD2 3.21Å; F132-H136 AromaticContact CE2-NE2 3.36Å; F132-H136 WeakPolarHBondContact CE2-NE2 3.29Å; F132-H136 AromaticContact CZ-CD2 3.67Å; F132-H136 AromaticContact CZ-NE2 3.85Å; F132-H136 PolarHBondContact O-CD2 2.83Å; F132-H136 PolarHBondContact O-N 2.98Å; F132-F153 HydrophobicContact CE1-CD2 4.16Å; F132-F153 AromaticContact CE1-CE2 3.5Å; F132-F153 HydrophobicContact CE1-CE2 3.5Å; F132-F153 HydrophobicContact CE1-CZ 4.24Å; F132-F153 AromaticContact CZ-CD2 3.79Å; F132-F153 HydrophobicContact CZ-CD2 3.79Å; F132-F153 AromaticContact CZ-CE2 3.64Å; F132-F153 HydrophobicContact CZ-CE2 3.64Å; F132-E156 HydrophobicContact CE2-CB 3.59Å; F132-E156 HydrophobicContact CZ-CB 3.83Å; F132-L157 HydrophobicContact CE1-CB 4.27Å; F132-L157 HydrophobicContact CE1-CD1 3.87Å; F132-L157 HydrophobicContact CZ-CB 4.31Å; F132-E160 HydrophobicContact CB-CG 3.83Å; F132-E160 HydrophobicContact CD1-CB 4.15Å; F132-E160 HydrophobicContact CD1-CG 3.91Å; F132-E160 HydrophobicContact CD2-CB 4.38Å; F132-E160 HydrophobicContact CD2-CG 4.41Å; F132-E160 HydrophobicContact CE1-CB 4.4Å; F132-E160 HydrophobicContact CG-CB 4.14Å; F132-E160 HydrophobicContact CG-CG 3.78Å
133I93.1Very high88.8Confident0 Ų072.5 Ų72.50%036%0.356CS..Hα-helixtrans-65-37.6177.8-68.5-62.2000111.4F108 F126 W128 C130 E131 L135 H136 F137 F153F108-I133 HydrophobicContact CD2-CG2 3.85Å; F108-I133 HydrophobicContact CE2-CG2 3.54Å; F126-I133 HydrophobicContact CE1-CD1 4.05Å; F126-I133 HydrophobicContact CE1-CG1 3.98Å; F126-I133 HydrophobicContact CZ-CD1 4.38Å; F126-I133 HydrophobicContact CZ-CG1 4.39Å; W128-I133 HydrophobicContact CE3-CD1 4Å; W128-I133 HydrophobicContact CE3-CG1 4.32Å; W128-I133 HydrophobicContact CZ3-CD1 4.13Å; W128-I133 WeakPolarHBondContact O-CB 3.4Å; C130-I133 PolarHBondContact O-N 3.44Å; E131-I133 PolarHBondContact O-N 3.42Å; I133-L135 VanDerWaalsContact C-N 3.34Å; I133-L135 PolarHBondContact O-N 2.97Å; I133-H136 PolarHBondContact O-N 3.3Å; I133-F137 HydrophobicContact CD1-CD2 4.46Å; I133-F137 HydrophobicContact CD1-CE2 4.39Å; I133-F137 HydrophobicContact CG2-CD2 4.17Å; I133-F137 WeakPolarHBondContact O-CB 3.35Å; I133-F137 PolarHBondContact O-N 3.1Å; I133-F153 HydrophobicContact CD1-CE2 4.25Å; I133-F153 HydrophobicContact CD1-CZ 4.26Å
134R92.9Very high89.9Confident112 Ų11269.6 Ų69.642%0.42335%0.346SS..Hα-helixtrans-68.5-32.3178.3-66.2177.7-176.21692.2112.6C130 E131 F132 G138C130-R134 PolarHBondContact O-N 2.87Å; E131-R134 PolarHBondContact O-N 3.34Å; E131-R134 VanDerWaalsContact O-N 3.08Å; F132-R134 VanDerWaalsContact C-N 3.32Å; F132-R134 PolarHBondContact O-N 3.5Å; R134-G138 CarbonylContact O-C 3.35Å; R134-G138 WeakPolarHBondContact O-CA 3.42Å; R134-G138 PolarHBondContact O-N 3.12Å
135L93.9Very high90.6Very high130 Ų13069 Ų6968%0.68134%0.343SS*.Hα-helixtrans-69.3-37.3175.9-72172.3000111.8E131 F132 I133E131-L135 HydrophobicContact CG-CD1 4.15Å; E131-L135 HydrophobicContact CG-CG 4.29Å; E131-L135 WeakPolarHBondContact O-CG 3.18Å; E131-L135 PolarHBondContact O-N 3.44Å; F132-L135 PolarHBondContact O-N 2.95Å; I133-L135 VanDerWaalsContact C-N 3.34Å; I133-L135 PolarHBondContact O-N 2.97Å
136H92.1Very high91.1Very high36 Ų3667.6 Ų67.617%0.16733%0.334CS..Hα-helixtrans-82.4-42.6-179.8-80.2-72.4000113.8F132 I133 K143 F153 E156F132-H136 AromaticContact CD2-CD2 3.81Å; F132-H136 AromaticContact CE2-CD2 3.38Å; F132-H136 WeakPolarHBondContact CE2-CD2 3.21Å; F132-H136 AromaticContact CE2-NE2 3.36Å; F132-H136 WeakPolarHBondContact CE2-NE2 3.29Å; F132-H136 AromaticContact CZ-CD2 3.67Å; F132-H136 AromaticContact CZ-NE2 3.85Å; F132-H136 PolarHBondContact O-CD2 2.83Å; F132-H136 PolarHBondContact O-N 2.98Å; I133-H136 PolarHBondContact O-N 3.3Å; H136-K143 WeakPolarHBondContact O-CD 3.26Å; H136-F153 HydrophobicContact CB-CD2 3.98Å; H136-F153 HydrophobicContact CB-CE2 4.2Å; H136-F153 AromaticContact CD2-CD2 3.72Å; H136-F153 AromaticContact CG-CD2 3.6Å; H136-F153 AromaticContact ND1-CD2 3.89Å; H136-E156 IonicContact CE1-OE2 2.72Å; H136-E156 PolarHBondContact CE1-OE2 3.3Å; H136-E156 VanDerWaalsContact CE1-OE2 3.26Å; H136-E156 IonicContact NE2-OE2 3.47Å; H136-E156 PolarHBondContact NE2-OE2 2.97Å
137F92.3Very high91.2Very high1 Ų170.6 Ų70.60%0.00435%0.346CS..Hα-helixtrans-105.5-4.9-173.9-66.1-86.4000114.3F108 V111 I133 R141 N142 K143 L145 F153F108-F137 HydrophobicContact CB-CB 4.49Å; F108-F137 HydrophobicContact CB-CD1 3.67Å; F108-F137 HydrophobicContact CB-CE1 4.06Å; F108-F137 HydrophobicContact CB-CG 4.03Å; F108-F137 HydrophobicContact CD2-CD2 4.18Å; F108-F137 HydrophobicContact CD2-CE2 4.47Å; F108-F137 HydrophobicContact CD2-CG 4.26Å; V111-F137 HydrophobicContact CG2-CZ 3.9Å; I133-F137 HydrophobicContact CD1-CD2 4.46Å; I133-F137 HydrophobicContact CD1-CE2 4.39Å; I133-F137 HydrophobicContact CG2-CD2 4.17Å; I133-F137 WeakPolarHBondContact O-CB 3.35Å; I133-F137 PolarHBondContact O-N 3.1Å; F137-R141 HydrophobicContact CB-CB 4.29Å; F137-R141 HydrophobicContact CB-CG 4.49Å; F137-R141 CarbonylContact O-C 3.56Å; F137-R141 WeakPolarHBondContact O-CA 3.44Å; F137-N142 PolarHBondContact O-N 2.91Å; F137-K143 WeakPolarHBondContact CD1-O 3.19Å; F137-K143 WeakPolarHBondContact O-CB 3.39Å; F137-K143 PolarHBondContact O-N 3.43Å; F137-K143 VanDerWaalsContact O-N 3.11Å; F137-L145 HydrophobicContact CE1-CD1 3.88Å; F137-L145 HydrophobicContact CE1-CG 3.79Å; F137-L145 HydrophobicContact CE2-CD1 4.12Å; F137-L145 HydrophobicContact CZ-CD1 3.43Å; F137-L145 VanDerWaalsContact CZ-CD1 3.43Å; F137-L145 HydrophobicContact CZ-CG 3.89Å; F137-F153 HydrophobicContact CE2-CD2 4.35Å; F137-F153 HydrophobicContact CE2-CE1 4.39Å; F137-F153 AromaticContact CE2-CE2 3.69Å; F137-F153 HydrophobicContact CE2-CE2 3.69Å; F137-F153 AromaticContact CE2-CZ 3.72Å; F137-F153 HydrophobicContact CE2-CZ 3.72Å; F137-F153 HydrophobicContact CZ-CE1 4.45Å; F137-F153 HydrophobicContact CZ-CE2 4.43Å; F137-F153 HydrophobicContact CZ-CZ 4.21Å
138G90.2Very high91.2Very high30 Ų3070 Ų7031%0.30935%0.351SS..  trans81.5166.6-17200000112.9R134 E140 R141R134-G138 CarbonylContact O-C 3.35Å; R134-G138 WeakPolarHBondContact O-CA 3.42Å; R134-G138 PolarHBondContact O-N 3.12Å; G138-E140 VanDerWaalsContact C-N 3.26Å; G138-E140 PolarHBondContact O-N 3.01Å; G138-R141 PolarHBondContact O-N 3.22Å; G138-R141 VanDerWaalsContact O-N 3.07Å
139H88.7Confident91.4Very high150 Ų15071.8 Ų71.869%0.69436%0.361SS*.THydrogen-bonded Turntrans-61.9-34.8-178.7-167.9-74.2000112.6
140E87.5Confident91.5Very high152 Ų15267 Ų6771%0.7134%0.336SS*.THydrogen-bonded Turntrans-88.5-4.5177-61.7-178172.300113.5G138 N142G138-E140 VanDerWaalsContact C-N 3.26Å; G138-E140 PolarHBondContact O-N 3.01Å; E140-N142 VanDerWaalsContact C-N 3.26Å; E140-N142 PolarHBondContact O-N 3.29Å; E140-N142 PolarHBondContact O-OD1 3.26Å; E140-N142 PolarHBondContact OE2-ND2 3.02Å
141R90.6Very high91.2Very high67 Ų6767.7 Ų67.725%0.25334%0.34SS..SBendtrans62.123.4-178.9-56.4175.9169.9145-1.1116F108 W128 D129 F137 G138F108-R141 HydrophobicContact CB-CB 4.12Å; F108-R141 HydrophobicContact CD1-CB 4.21Å; F108-R141 HydrophobicContact CD1-CG 4.5Å; F108-R141 HydrophobicContact CG-CB 4.05Å; F108-R141 HydrophobicContact CG-CG 4.36Å; W128-R141 PolarHBondContact O-NH2 2.68Å; D129-R141 IonicContact OD1-CZ 2.74Å; D129-R141 IonicContact OD1-NH1 3.51Å; D129-R141 PolarHBondContact OD1-NH1 3.09Å; D129-R141 IonicContact OD1-NH2 3.58Å; D129-R141 PolarHBondContact OD1-NH2 3.2Å; F137-R141 HydrophobicContact CB-CB 4.29Å; F137-R141 HydrophobicContact CB-CG 4.49Å; F137-R141 CarbonylContact O-C 3.56Å; F137-R141 WeakPolarHBondContact O-CA 3.44Å; G138-R141 PolarHBondContact O-N 3.22Å; G138-R141 VanDerWaalsContact O-N 3.07Å
142N89.6Confident91Very high118 Ų11865.2 Ų65.263%0.63133%0.328SS*.  trans-90.2-9.3-176.9-66.8-25.2000114.2F137 E140F137-N142 PolarHBondContact O-N 2.91Å; E140-N142 VanDerWaalsContact C-N 3.26Å; E140-N142 PolarHBondContact O-N 3.29Å; E140-N142 PolarHBondContact O-OD1 3.26Å; E140-N142 PolarHBondContact OE2-ND2 3.02Å
143K92.4Very high90.9Very high94 Ų9464.1 Ų64.141%0.40932%0.323SS..PPolyproline II helixtrans-74.5132.7177.9178.9178.7171.1-160.50109.5H136 F137 E149H136-K143 WeakPolarHBondContact O-CD 3.26Å; F137-K143 WeakPolarHBondContact CD1-O 3.19Å; F137-K143 WeakPolarHBondContact O-CB 3.39Å; F137-K143 PolarHBondContact O-N 3.43Å; F137-K143 VanDerWaalsContact O-N 3.11Å; K143-E149 WeakPolarHBondContact CE-OE1 3.35Å; K143-E149 IonicContact NZ-OE1 3.47Å; K143-E149 PolarHBondContact NZ-OE1 3.29Å
144N92.6Very high90.5Very high79 Ų7964.2 Ų64.242%0.42232%0.324SS..PPolyproline II helixtrans-94.8150.2170.2-60.7-30.9000110.7N105 I106N105-N144 HydrophobicContact CB-CB 3.96Å; I106-N144 CarbonylContact O-C 3.55Å; I106-N144 WeakPolarHBondContact O-CA 3.39Å
145L92.3Very high90Very high1 Ų162.9 Ų62.91%0.00532%0.322CS..BIsolated β-bridgetrans-97.2128.7177.7-57.4-178.4000110.4I106 F137 E149 F150 F153I106-L145 PolarHBondContact N-O 3.27Å; I106-L145 PolarHBondContact O-N 3.08Å; F137-L145 HydrophobicContact CE1-CD1 3.88Å; F137-L145 HydrophobicContact CE1-CG 3.79Å; F137-L145 HydrophobicContact CE2-CD1 4.12Å; F137-L145 HydrophobicContact CZ-CD1 3.43Å; F137-L145 VanDerWaalsContact CZ-CD1 3.43Å; F137-L145 HydrophobicContact CZ-CG 3.89Å; L145-E149 HydrophobicContact CB-CB 4.32Å; L145-E149 HydrophobicContact CD2-CB 4.28Å; L145-F150 HydrophobicContact CB-CB 4.34Å; L145-F153 HydrophobicContact CD1-CB 3.88Å; L145-F153 HydrophobicContact CD1-CD1 3.84Å; L145-F153 HydrophobicContact CD1-CD2 4.17Å; L145-F153 HydrophobicContact CD1-CE1 4.48Å; L145-F153 HydrophobicContact CD1-CG 3.67Å
146S93.8Very high89.7Confident42 Ų4259.6 Ų59.629%0.29430%0.304SS..PPolyproline II helixtrans-71.1168.5167.362.20000111.5A148 E149 F150S146-A148 PolarHBondContact O-N 2.84Å; S146-E149 PolarHBondContact N-OE2 2.84Å; S146-E149 PolarHBondContact O-N 3.3Å; S146-E149 WeakPolarHBondContact OG-CG 3.38Å; S146-E149 PolarHBondContact OG-OE2 2.89Å; S146-F150 WeakPolarHBondContact O-CB 3.45Å; S146-F150 PolarHBondContact O-N 3.14Å
147Y88.9Confident89.5Confident71 Ų7158 Ų5828%0.27830%0.296SS..Hα-helixtrans-49.9-52.3177.1173.8-104.7000113.1D88 F91 I92 F95 E149 F150 T151D88-Y147 PolarHBondContact OD2-OH 3.19Å; F91-Y147 HydrophobicContact CB-CE2 4.36Å; F91-Y147 VanDerWaalsContact CB-OH 3.29Å; F91-Y147 WeakPolarHBondContact CB-OH 3.35Å; I92-Y147 HydrophobicContact CB-CE2 4.48Å; I92-Y147 HydrophobicContact CG1-CE2 3.98Å; I92-Y147 WeakPolarHBondContact CG1-OH 3.33Å; F95-Y147 HydrophobicContact CB-CD2 3.71Å; F95-Y147 HydrophobicContact CB-CE2 3.95Å; F95-Y147 HydrophobicContact CD1-CD2 4.14Å; F95-Y147 AromaticContact CD2-CD2 3.79Å; F95-Y147 HydrophobicContact CD2-CD2 3.79Å; F95-Y147 HydrophobicContact CD2-CG 4.48Å; F95-Y147 VanDerWaalsContact CE2-CA 3.44Å; F95-Y147 HydrophobicContact CE2-CD2 4.48Å; F95-Y147 AromaticContact CG-CD2 3.61Å; F95-Y147 HydrophobicContact CG-CD2 3.61Å; F95-Y147 HydrophobicContact CG-CE2 4.35Å; Y147-E149 PolarHBondContact O-N 2.81Å; Y147-F150 PolarHBondContact O-N 3.03Å; Y147-T151 HydrophobicContact CD2-CG2 4.42Å; Y147-T151 HydrophobicContact CE1-CG2 4.32Å; Y147-T151 HydrophobicContact CE2-CG2 3.97Å; Y147-T151 WeakPolarHBondContact O-CG2 3.5Å; Y147-T151 PolarHBondContact O-N 2.65Å
148A89.7Confident89Confident65 Ų6559.3 Ų59.354%0.53730%0.302SS..Hα-helixtrans-63-45.3-178.200000112S146 F150 T151 Q152S146-A148 PolarHBondContact O-N 2.84Å; A148-F150 VanDerWaalsContact C-N 3.33Å; A148-F150 PolarHBondContact O-N 2.95Å; A148-T151 PolarHBondContact O-N 3.18Å; A148-T151 PolarHBondContact O-OG1 2.91Å; A148-Q152 PolarHBondContact O-N 2.91Å
149E92.3Very high88.8Confident72 Ų7262 Ų6234%0.33631%0.309SS..Hα-helixtrans-63.1-39.7176.8-69.6172.2123.500111.8K143 L145 S146 Y147 Q152 F153K143-E149 WeakPolarHBondContact CE-OE1 3.35Å; K143-E149 IonicContact NZ-OE1 3.47Å; K143-E149 PolarHBondContact NZ-OE1 3.29Å; L145-E149 HydrophobicContact CB-CB 4.32Å; L145-E149 HydrophobicContact CD2-CB 4.28Å; S146-E149 PolarHBondContact N-OE2 2.84Å; S146-E149 PolarHBondContact O-N 3.3Å; S146-E149 WeakPolarHBondContact OG-CG 3.38Å; S146-E149 PolarHBondContact OG-OE2 2.89Å; Y147-E149 PolarHBondContact O-N 2.81Å; E149-Q152 PolarHBondContact O-N 2.77Å; E149-F153 VanDerWaalsContact O-CB 3.29Å; E149-F153 WeakPolarHBondContact O-CB 3.43Å; E149-F153 PolarHBondContact O-N 3.42Å
150F90.6Very high88.8Confident1 Ų156.2 Ų56.20%0.00428%0.282CS..Hα-helixtrans-64-42.6178.6175.9-101.8000112.3F95 F98 I106 V111 L145 S146 Y147 A148 Q152 F153 L154F95-F150 HydrophobicContact CB-CD1 4.08Å; F95-F150 HydrophobicContact CB-CE1 4.27Å; F95-F150 HydrophobicContact CD2-CB 3.91Å; F95-F150 AromaticContact CD2-CD1 3.7Å; F95-F150 HydrophobicContact CD2-CD1 3.7Å; F95-F150 HydrophobicContact CD2-CE1 4.49Å; F95-F150 AromaticContact CD2-CG 3.95Å; F95-F150 HydrophobicContact CD2-CG 3.95Å; F95-F150 HydrophobicContact CE2-CB 4.19Å; F95-F150 HydrophobicContact CG-CD1 4.38Å; F98-F150 HydrophobicContact CB-CE2 3.99Å; F98-F150 HydrophobicContact CB-CZ 3.79Å; F98-F150 AromaticContact CD1-CE2 3.79Å; F98-F150 HydrophobicContact CD1-CE2 3.79Å; F98-F150 AromaticContact CD1-CZ 3.89Å; F98-F150 HydrophobicContact CD1-CZ 3.89Å; F98-F150 HydrophobicContact CD2-CE2 4.38Å; F98-F150 AromaticContact CD2-CZ 3.64Å; F98-F150 HydrophobicContact CD2-CZ 3.64Å; F98-F150 HydrophobicContact CE1-CE2 4.34Å; F98-F150 HydrophobicContact CE1-CZ 4.36Å; F98-F150 HydrophobicContact CE2-CZ 4.11Å; F98-F150 AromaticContact CG-CE2 3.8Å; F98-F150 HydrophobicContact CG-CE2 3.8Å; F98-F150 AromaticContact CG-CZ 3.49Å; F98-F150 HydrophobicContact CG-CZ 3.49Å; F98-F150 VanDerWaalsContact CG-CZ 3.49Å; F98-F150 HydrophobicContact CZ-CZ 4.45Å; I106-F150 HydrophobicContact CB-CD2 4.4Å; I106-F150 HydrophobicContact CD1-CB 3.98Å; I106-F150 HydrophobicContact CD1-CD1 3.77Å; I106-F150 HydrophobicContact CD1-CD2 3.29Å; I106-F150 HydrophobicContact CD1-CE1 4.03Å; I106-F150 HydrophobicContact CD1-CE2 3.59Å; I106-F150 HydrophobicContact CD1-CG 3.38Å; I106-F150 HydrophobicContact CD1-CZ 3.94Å; I106-F150 HydrophobicContact CG1-CD2 4.43Å; I106-F150 HydrophobicContact CG2-CD2 4.21Å; I106-F150 HydrophobicContact CG2-CE2 4.37Å; V111-F150 HydrophobicContact CG2-CE2 4.47Å; L145-F150 HydrophobicContact CB-CB 4.34Å; S146-F150 WeakPolarHBondContact O-CB 3.45Å; S146-F150 PolarHBondContact O-N 3.14Å; Y147-F150 PolarHBondContact O-N 3.03Å; A148-F150 VanDerWaalsContact C-N 3.33Å; A148-F150 PolarHBondContact O-N 2.95Å; F150-Q152 VanDerWaalsContact C-N 3.26Å; F150-Q152 PolarHBondContact O-N 2.93Å; F150-F153 HydrophobicContact CD2-CD1 4.17Å; F150-F153 HydrophobicContact CE2-CD1 4.37Å; F150-F153 PolarHBondContact O-N 2.99Å; F150-L154 HydrophobicContact CE1-CD2 4.06Å; F150-L154 HydrophobicContact CZ-CB 4.47Å; F150-L154 HydrophobicContact CZ-CD1 4.3Å; F150-L154 HydrophobicContact CZ-CD2 4.21Å; F150-L154 WeakPolarHBondContact O-CB 3.3Å; F150-L154 PolarHBondContact O-N 2.9Å
151T85.4Confident88.8Confident29 Ų2949.1 Ų49.118%0.17825%0.249CC..Hα-helixtrans-60.2-38.817960.10000112.4F91 Y147 A148F91-T151 HydrophobicContact CB-CG2 3.84Å; F91-T151 HydrophobicContact CD1-CG2 3.65Å; F91-T151 HydrophobicContact CG-CG2 4.05Å; Y147-T151 HydrophobicContact CD2-CG2 4.42Å; Y147-T151 HydrophobicContact CE1-CG2 4.32Å; Y147-T151 HydrophobicContact CE2-CG2 3.97Å; Y147-T151 WeakPolarHBondContact O-CG2 3.5Å; Y147-T151 PolarHBondContact O-N 2.65Å; A148-T151 PolarHBondContact O-N 3.18Å; A148-T151 PolarHBondContact O-OG1 2.91Å
152Q88.9Confident88.7Confident96 Ų9646 Ų4645%0.44924%0.238SC..Hα-helixtrans-69.9-47.6175-176.862.628.600110.9A148 E149 F150 L154 Q155 E156A148-Q152 PolarHBondContact O-N 2.91Å; E149-Q152 PolarHBondContact O-N 2.77Å; F150-Q152 VanDerWaalsContact C-N 3.26Å; F150-Q152 PolarHBondContact O-N 2.93Å; Q152-L154 VanDerWaalsContact C-N 3.29Å; Q152-L154 PolarHBondContact O-N 2.68Å; Q152-Q155 PolarHBondContact O-N 3Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.35Å; Q152-E156 PolarHBondContact NE2-OE1 3.41Å; Q152-E156 WeakPolarHBondContact O-CG 3.42Å; Q152-E156 PolarHBondContact O-N 2.96Å; Q152-E156 VanDerWaalsContact O-N 3.14Å
153F90.5Very high88.7Confident0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-55.6-42177.2168.6-98.2000112.4V111 F132 I133 H136 F137 L145 E149 F150 Q155 E156 L157V111-F153 HydrophobicContact CB-CE1 4.48Å; V111-F153 HydrophobicContact CG1-CE1 3.67Å; V111-F153 HydrophobicContact CG1-CZ 3.91Å; V111-F153 HydrophobicContact CG2-CE1 3.99Å; F132-F153 HydrophobicContact CE1-CD2 4.16Å; F132-F153 AromaticContact CE1-CE2 3.5Å; F132-F153 HydrophobicContact CE1-CE2 3.5Å; F132-F153 HydrophobicContact CE1-CZ 4.24Å; F132-F153 AromaticContact CZ-CD2 3.79Å; F132-F153 HydrophobicContact CZ-CD2 3.79Å; F132-F153 AromaticContact CZ-CE2 3.64Å; F132-F153 HydrophobicContact CZ-CE2 3.64Å; I133-F153 HydrophobicContact CD1-CE2 4.25Å; I133-F153 HydrophobicContact CD1-CZ 4.26Å; H136-F153 HydrophobicContact CB-CD2 3.98Å; H136-F153 HydrophobicContact CB-CE2 4.2Å; H136-F153 AromaticContact CD2-CD2 3.72Å; H136-F153 AromaticContact CG-CD2 3.6Å; H136-F153 AromaticContact ND1-CD2 3.89Å; F137-F153 HydrophobicContact CE2-CD2 4.35Å; F137-F153 HydrophobicContact CE2-CE1 4.39Å; F137-F153 AromaticContact CE2-CE2 3.69Å; F137-F153 HydrophobicContact CE2-CE2 3.69Å; F137-F153 AromaticContact CE2-CZ 3.72Å; F137-F153 HydrophobicContact CE2-CZ 3.72Å; F137-F153 HydrophobicContact CZ-CE1 4.45Å; F137-F153 HydrophobicContact CZ-CE2 4.43Å; F137-F153 HydrophobicContact CZ-CZ 4.21Å; L145-F153 HydrophobicContact CD1-CB 3.88Å; L145-F153 HydrophobicContact CD1-CD1 3.84Å; L145-F153 HydrophobicContact CD1-CD2 4.17Å; L145-F153 HydrophobicContact CD1-CE1 4.48Å; L145-F153 HydrophobicContact CD1-CG 3.67Å; E149-F153 VanDerWaalsContact O-CB 3.29Å; E149-F153 WeakPolarHBondContact O-CB 3.43Å; E149-F153 PolarHBondContact O-N 3.42Å; F150-F153 HydrophobicContact CD2-CD1 4.17Å; F150-F153 HydrophobicContact CE2-CD1 4.37Å; F150-F153 PolarHBondContact O-N 2.99Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.24Å; F153-E156 PolarHBondContact O-N 3.03Å; F153-L157 HydrophobicContact CE1-CB 4.4Å; F153-L157 HydrophobicContact CE1-CD2 4.01Å; F153-L157 HydrophobicContact CZ-CB 4.31Å; F153-L157 HydrophobicContact CZ-CD1 4.12Å; F153-L157 HydrophobicContact CZ-CD2 4.18Å; F153-L157 HydrophobicContact CZ-CG 4.44Å; F153-L157 VanDerWaalsContact O-CB 3.31Å; F153-L157 WeakPolarHBondContact O-CB 3.21Å; F153-L157 PolarHBondContact O-N 2.78Å
154L85.1Confident88.7Confident2 Ų243.4 Ų43.41%0.0122%0.218CC..Hα-helixtrans-62.8-38-178.4-17361.6000112.2A94 F98 F150 Q152 F656A94-L154 HydrophobicContact CB-CD2 4.1Å; F98-L154 HydrophobicContact CZ-CD1 4.45Å; F150-L154 HydrophobicContact CE1-CD2 4.06Å; F150-L154 HydrophobicContact CZ-CB 4.47Å; F150-L154 HydrophobicContact CZ-CD1 4.3Å; F150-L154 HydrophobicContact CZ-CD2 4.21Å; F150-L154 WeakPolarHBondContact O-CB 3.3Å; F150-L154 PolarHBondContact O-N 2.9Å; Q152-L154 VanDerWaalsContact C-N 3.29Å; Q152-L154 PolarHBondContact O-N 2.68Å; L154-F656 HydrophobicContact CD2-CB 4.04Å; L154-F656 HydrophobicContact CD2-CD1 3.43Å; L154-F656 VanDerWaalsContact CD2-CD1 3.43Å; L154-F656 HydrophobicContact CD2-CD2 4.07Å; L154-F656 HydrophobicContact CD2-CE1 3.84Å; L154-F656 HydrophobicContact CD2-CE2 4.42Å; L154-F656 HydrophobicContact CD2-CG 3.56Å; L154-F656 HydrophobicContact CD2-CZ 4.32Å; L154-F656 HydrophobicContact CG-CB 4.44Å; L154-F656 HydrophobicContact CG-CD1 3.89Å; L154-F656 HydrophobicContact CG-CG 4.27Å
155Q83Confident88.5Confident85 Ų8539.7 Ų39.740%0.39720%0.198SC..Hα-helixtrans-68.5-43.4174.7-66.4-178-8.400111.6Q152 F153 Q158Q152-Q155 PolarHBondContact O-N 3Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.24Å; Q155-Q158 PolarHBondContact O-N 3.09Å
156E87.8Confident88.5Confident61 Ų6140 Ų4029%0.28520%0.199SC..Hα-helixtrans-68.6-34.6179.8-65.2176.6-169.700112.5F132 H136 Q152 F153 Q158 L159 E160F132-E156 HydrophobicContact CE2-CB 3.59Å; F132-E156 HydrophobicContact CZ-CB 3.83Å; H136-E156 IonicContact CE1-OE2 2.72Å; H136-E156 PolarHBondContact CE1-OE2 3.3Å; H136-E156 VanDerWaalsContact CE1-OE2 3.26Å; H136-E156 IonicContact NE2-OE2 3.47Å; H136-E156 PolarHBondContact NE2-OE2 2.97Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.35Å; Q152-E156 PolarHBondContact NE2-OE1 3.41Å; Q152-E156 WeakPolarHBondContact O-CG 3.42Å; Q152-E156 PolarHBondContact O-N 2.96Å; Q152-E156 VanDerWaalsContact O-N 3.14Å; F153-E156 PolarHBondContact O-N 3.03Å; E156-Q158 VanDerWaalsContact C-N 3.29Å; E156-Q158 PolarHBondContact O-N 3.46Å; E156-L159 PolarHBondContact O-N 3.17Å; E156-L159 VanDerWaalsContact O-N 3.16Å; E156-E160 PolarHBondContact O-N 3.3Å
157L86.8Confident88.4Confident1 Ų141.1 Ų41.11%0.00521%0.211CC..Hα-helixtrans-58.8-41.3178.3178.966.3000111.5V111 F115 F126 F132 F153 E160 H161V111-L157 HydrophobicContact CG1-CD2 4.38Å; F115-L157 HydrophobicContact CD2-CD2 3.75Å; F115-L157 HydrophobicContact CE2-CD2 3.8Å; F115-L157 HydrophobicContact CE2-CG 4.28Å; F115-L157 HydrophobicContact CG-CD2 4.4Å; F115-L157 HydrophobicContact CZ-CD2 4.48Å; F126-L157 HydrophobicContact CD2-CD1 4.38Å; F126-L157 HydrophobicContact CE1-CD1 4.03Å; F126-L157 HydrophobicContact CE2-CD1 3.66Å; F126-L157 HydrophobicContact CZ-CD1 3.46Å; F126-L157 VanDerWaalsContact CZ-CD1 3.46Å; F132-L157 HydrophobicContact CE1-CB 4.27Å; F132-L157 HydrophobicContact CE1-CD1 3.87Å; F132-L157 HydrophobicContact CZ-CB 4.31Å; F153-L157 HydrophobicContact CE1-CB 4.4Å; F153-L157 HydrophobicContact CE1-CD2 4.01Å; F153-L157 HydrophobicContact CZ-CB 4.31Å; F153-L157 HydrophobicContact CZ-CD1 4.12Å; F153-L157 HydrophobicContact CZ-CD2 4.18Å; F153-L157 HydrophobicContact CZ-CG 4.44Å; F153-L157 VanDerWaalsContact O-CB 3.31Å; F153-L157 WeakPolarHBondContact O-CB 3.21Å; F153-L157 PolarHBondContact O-N 2.78Å; L157-E160 PolarHBondContact O-N 2.85Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 2.96Å
158Q83.2Confident88.5Confident30 Ų3042.1 Ų42.114%0.1422%0.218CC..Hα-helixtrans-64.3-42.3176.9-66.4-179.7-8.200112.4Q155 E156 H161 A162 K655 F656Q155-Q158 PolarHBondContact O-N 3.09Å; E156-Q158 VanDerWaalsContact C-N 3.29Å; E156-Q158 PolarHBondContact O-N 3.46Å; Q158-H161 PolarHBondContact O-N 2.94Å; Q158-A162 WeakPolarHBondContact O-CB 3.36Å; Q158-A162 PolarHBondContact O-N 3.22Å; Q158-K655 PolarHBondContact NE2-O 2.81Å; Q158-F656 PolarHBondContact NE2-O 3.37Å
159L84.7Confident88.5Confident87 Ų8741.8 Ų41.846%0.45520%0.204SC..Hα-helixtrans-66-41.3178.4-65.5176.7000110.8E156 A162 R163E156-L159 PolarHBondContact O-N 3.17Å; E156-L159 VanDerWaalsContact O-N 3.16Å; L159-A162 PolarHBondContact O-N 3.13Å; L159-R163 WeakPolarHBondContact O-CB 3.35Å; L159-R163 PolarHBondContact O-N 2.86Å
160E89.8Confident88.5Confident27 Ų2739.4 Ų39.413%0.12619%0.194CC..Hα-helixtrans-67.8-38.5176.7-172.460.3-155.200111.4F126 F132 E156 L157 R163 Q164F126-E160 HydrophobicContact CE2-CB 4.5Å; F126-E160 HydrophobicContact CE2-CG 4.3Å; F126-E160 HydrophobicContact CZ-CG 4.47Å; F132-E160 HydrophobicContact CB-CG 3.83Å; F132-E160 HydrophobicContact CD1-CB 4.15Å; F132-E160 HydrophobicContact CD1-CG 3.91Å; F132-E160 HydrophobicContact CD2-CB 4.38Å; F132-E160 HydrophobicContact CD2-CG 4.41Å; F132-E160 HydrophobicContact CE1-CB 4.4Å; F132-E160 HydrophobicContact CG-CB 4.14Å; F132-E160 HydrophobicContact CG-CG 3.78Å; E156-E160 PolarHBondContact O-N 3.3Å; L157-E160 PolarHBondContact O-N 2.85Å; E160-R163 WeakPolarHBondContact O-CB 3.41Å; E160-R163 PolarHBondContact O-N 3.34Å; E160-R163 IonicContact OE1-NH1 3.93Å; E160-R163 WeakPolarHBondContact OE2-CD 3.23Å; E160-R163 IonicContact OE2-CZ 3.46Å; E160-R163 IonicContact OE2-NH1 3.36Å; E160-R163 PolarHBondContact OE2-NH1 3.37Å; E160-Q164 VanDerWaalsContact O-CG 3.32Å; E160-Q164 WeakPolarHBondContact O-CG 3.36Å; E160-Q164 PolarHBondContact O-N 3.34Å
161H87.3Confident88.4Confident3 Ų348.2 Ų48.21%0.01423%0.232CC..Hα-helixtrans-62.6-44.5174.5-171-163.7000111.7F115 I124 F126 L157 Q158 R163 Q164 A165F115-H161 AromaticContact CZ-ND1 3.67Å; I124-H161 PolarHBondContact O-NE2 3.23Å; F126-H161 HydrophobicContact CD2-CB 3.84Å; F126-H161 AromaticContact CD2-CD2 3.91Å; F126-H161 AromaticContact CD2-CG 3.99Å; F126-H161 HydrophobicContact CE2-CB 4.17Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 2.96Å; Q158-H161 PolarHBondContact O-N 2.94Å; H161-R163 VanDerWaalsContact C-N 3.33Å; H161-R163 PolarHBondContact O-N 3Å; H161-Q164 PolarHBondContact O-N 2.97Å; H161-A165 WeakPolarHBondContact O-CB 3.3Å; H161-A165 PolarHBondContact O-N 2.76Å
162A87.4Confident88.6Confident3 Ų355.8 Ų55.83%0.02526%0.263CS..Hα-helixtrans-61-40.7174.500000112Q158 L159 A165 F166 F219Q158-A162 WeakPolarHBondContact O-CB 3.36Å; Q158-A162 PolarHBondContact O-N 3.22Å; L159-A162 PolarHBondContact O-N 3.13Å; A162-A165 PolarHBondContact O-N 2.55Å; A162-F166 PolarHBondContact O-N 3.08Å; A162-F219 HydrophobicContact CB-CE1 3.99Å; A162-F219 HydrophobicContact CB-CZ 3.89Å; A162-F219 WeakPolarHBondContact O-CE1 3.24Å
163R90.8Very high88.7Confident138 Ų13860.3 Ų60.352%0.52128%0.281SS..Hα-helixtrans-64-43.5175.2178.5-174.2171.1-163.71112.1L159 E160 H161 A165 F166 A167 F216L159-R163 WeakPolarHBondContact O-CB 3.35Å; L159-R163 PolarHBondContact O-N 2.86Å; E160-R163 WeakPolarHBondContact O-CB 3.41Å; E160-R163 PolarHBondContact O-N 3.34Å; E160-R163 IonicContact OE1-NH1 3.93Å; E160-R163 WeakPolarHBondContact OE2-CD 3.23Å; E160-R163 IonicContact OE2-CZ 3.46Å; E160-R163 IonicContact OE2-NH1 3.36Å; E160-R163 PolarHBondContact OE2-NH1 3.37Å; H161-R163 VanDerWaalsContact C-N 3.33Å; H161-R163 PolarHBondContact O-N 3Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-F166 WeakPolarHBondContact O-CB 3.42Å; R163-F166 PolarHBondContact O-N 3.35Å; R163-A167 PolarHBondContact O-N 2.99Å; R163-F216 HydrophobicContact CB-CE2 4.42Å; R163-F216 HydrophobicContact CG-CE2 3.98Å; R163-F216 HydrophobicContact CG-CZ 3.98Å
164Q91Very high88.6Confident19 Ų1963.6 Ų63.69%0.08930%0.304CS..Hα-helixtrans-63.6-40176.3-71.7-179.815.100111.4N127 E160 H161 A167 Q168N127-Q164 PolarHBondContact O-NE2 2.94Å; E160-Q164 VanDerWaalsContact O-CG 3.32Å; E160-Q164 WeakPolarHBondContact O-CG 3.36Å; E160-Q164 PolarHBondContact O-N 3.34Å; H161-Q164 PolarHBondContact O-N 2.97Å; Q164-A167 PolarHBondContact O-N 2.91Å; Q164-Q168 WeakPolarHBondContact O-CG 3.42Å; Q164-Q168 PolarHBondContact O-N 3.01Å
165A90.3Very high88.7Confident0 Ų065.1 Ų65.10%032%0.32CS..Hα-helixtrans-62.6-42.3175.600000112.5I124 H161 A162 R163 A167 Q168 K169 I185 I189I124-A165 HydrophobicContact CD1-CB 4.25Å; I124-A165 HydrophobicContact CG2-CB 4Å; H161-A165 WeakPolarHBondContact O-CB 3.3Å; H161-A165 PolarHBondContact O-N 2.76Å; A162-A165 PolarHBondContact O-N 2.55Å; R163-A165 VanDerWaalsContact C-N 3.33Å; A165-A167 VanDerWaalsContact C-N 3.34Å; A165-A167 PolarHBondContact O-N 2.9Å; A165-Q168 PolarHBondContact O-N 3.42Å; A165-K169 PolarHBondContact O-N 3.49Å; A165-K169 VanDerWaalsContact O-N 3.12Å; A165-I185 HydrophobicContact CB-CG1 4.25Å; A165-I185 HydrophobicContact CB-CG2 3.94Å; A165-I189 HydrophobicContact CB-CD1 3.25Å
166F92.1Very high89.1Confident8 Ų863.2 Ų63.24%0.03531%0.314CS..Hα-helixtrans-58.4-47.5172-173-78.5000111.1A162 R163 Q168 K169 D170 I177 F216 F219A162-F166 PolarHBondContact O-N 3.08Å; R163-F166 WeakPolarHBondContact O-CB 3.42Å; R163-F166 PolarHBondContact O-N 3.35Å; F166-Q168 VanDerWaalsContact C-N 3.31Å; F166-Q168 PolarHBondContact O-N 2.92Å; F166-K169 PolarHBondContact O-N 3.18Å; F166-D170 HydrophobicContact CE1-CB 4.32Å; F166-D170 PolarHBondContact O-N 2.78Å; F166-I177 HydrophobicContact CD1-CG2 4.36Å; F166-I177 HydrophobicContact CD2-CD1 3.59Å; F166-I177 HydrophobicContact CD2-CG1 4.1Å; F166-I177 HydrophobicContact CD2-CG2 4.14Å; F166-I177 HydrophobicContact CE1-CG2 4.08Å; F166-I177 HydrophobicContact CE2-CB 4.31Å; F166-I177 HydrophobicContact CE2-CD1 3.63Å; F166-I177 HydrophobicContact CE2-CG1 3.61Å; F166-I177 HydrophobicContact CE2-CG2 3.87Å; F166-I177 HydrophobicContact CG-CG2 4.37Å; F166-I177 HydrophobicContact CZ-CG1 4.22Å; F166-I177 HydrophobicContact CZ-CG2 3.82Å; F166-F216 HydrophobicContact CB-CD2 4.44Å; F166-F216 HydrophobicContact CD1-CB 4.5Å; F166-F216 AromaticContact CD1-CD2 3.7Å; F166-F216 HydrophobicContact CD1-CD2 3.7Å; F166-F216 HydrophobicContact CD1-CE2 4.49Å; F166-F216 HydrophobicContact CD2-CD2 4.17Å; F166-F216 HydrophobicContact CE1-CB 3.87Å; F166-F216 AromaticContact CE1-CD2 3.94Å; F166-F216 HydrophobicContact CE1-CD2 3.94Å; F166-F216 HydrophobicContact CE1-CG 4.37Å; F166-F216 HydrophobicContact CE2-CB 4.34Å; F166-F216 HydrophobicContact CE2-CD2 4.37Å; F166-F216 AromaticContact CG-CD2 3.84Å; F166-F216 HydrophobicContact CG-CD2 3.84Å; F166-F216 HydrophobicContact CG-CE2 4.45Å; F166-F216 HydrophobicContact CZ-CB 3.79Å; F166-F216 HydrophobicContact CZ-CD2 4.28Å; F166-F219 HydrophobicContact CB-CD1 4.35Å; F166-F219 HydrophobicContact CB-CE1 4.2Å; F166-F219 HydrophobicContact CD2-CB 3.93Å; F166-F219 AromaticContact CD2-CD1 3.89Å; F166-F219 HydrophobicContact CD2-CD1 3.89Å; F166-F219 HydrophobicContact CD2-CD2 4.28Å; F166-F219 HydrophobicContact CD2-CE1 4.46Å; F166-F219 AromaticContact CD2-CG 3.77Å; F166-F219 HydrophobicContact CD2-CG 3.77Å; F166-F219 HydrophobicContact CE2-CB 3.97Å; F166-F219 HydrophobicContact CE2-CG 4.32Å; F166-F219 HydrophobicContact CG-CD1 4.43Å
167A91.6Very high89.3Confident65 Ų6560.4 Ų60.454%0.53730%0.301SS..Hα-helixtrans-63.6-33.8179.600000113.1R163 Q164 A165R163-A167 PolarHBondContact O-N 2.99Å; Q164-A167 PolarHBondContact O-N 2.91Å; A165-A167 VanDerWaalsContact C-N 3.34Å; A165-A167 PolarHBondContact O-N 2.9Å
168Q90Very high89.6Confident93 Ų9362.9 Ų62.944%0.43532%0.316SS..Hα-helixtrans-69.2-36.2175.4-72.9176.618.500112.3P125 Q164 A165 F166P125-Q168 PolarHBondContact O-NE2 3.07Å; Q164-Q168 WeakPolarHBondContact O-CG 3.42Å; Q164-Q168 PolarHBondContact O-N 3.01Å; A165-Q168 PolarHBondContact O-N 3.42Å; F166-Q168 VanDerWaalsContact C-N 3.31Å; F166-Q168 PolarHBondContact O-N 2.92Å
169K89.6Confident89.8Confident58 Ų5862 Ų6225%0.25231%0.314SS..Hα-helixtrans-80.9-27178.5-67.6-67.5-167.3160.70113.1A165 F166 K171 I177 D181 D184 I185A165-K169 PolarHBondContact O-N 3.49Å; A165-K169 VanDerWaalsContact O-N 3.12Å; F166-K169 PolarHBondContact O-N 3.18Å; K169-K171 PolarHBondContact O-N 3.17Å; K169-I177 HydrophobicContact CB-CG2 4.16Å; K169-D181 HydrophobicContact CB-CB 4.13Å; K169-D181 HydrophobicContact CD-CB 4.33Å; K169-D181 HydrophobicContact CG-CB 4.3Å; K169-D181 IonicContact NZ-OD1 3.92Å; K169-D184 WeakPolarHBondContact CE-OD2 3.36Å; K169-D184 IonicContact NZ-OD2 2.65Å; K169-D184 PolarHBondContact NZ-OD2 3.46Å; K169-I185 HydrophobicContact CB-CD1 4.12Å; K169-I185 HydrophobicContact CG-CD1 3.79Å; K169-I185 HydrophobicContact CG-CG1 3.95Å
170D92.2Very high90Very high21 Ų2163.9 Ų63.911%0.11232%0.324CS..  trans-75.568.1172.6-1748.9000112.3F166 K172 K173 S174 G175 I177F166-D170 HydrophobicContact CE1-CB 4.32Å; F166-D170 PolarHBondContact O-N 2.78Å; D170-K172 PolarHBondContact O-N 3.09Å; D170-K172 VanDerWaalsContact O-N 3.15Å; D170-K173 PolarHBondContact O-N 3.47Å; D170-K173 VanDerWaalsContact O-N 3.12Å; D170-K173 WeakPolarHBondContact OD1-CA 3.28Å; D170-K173 PolarHBondContact OD1-N 2.94Å; D170-K173 WeakPolarHBondContact OD2-CA 3.31Å; D170-S174 PolarHBondContact OD1-N 3.15Å; D170-S174 PolarHBondContact OD2-N 2.89Å; D170-G175 WeakPolarHBondContact OD2-CA 3.34Å; D170-G175 PolarHBondContact OD2-N 3.46Å; D170-I177 HydrophobicContact CB-CG2 4.02Å
171K89.7Confident90.1Very high187 Ų18764.6 Ų64.681%0.81333%0.328SS*.THydrogen-bonded Turntrans-59.5-27.4-179.6-62.5-179-176.2177.20113.2K169K169-K171 PolarHBondContact O-N 3.17Å
172K89Confident90.3Very high188 Ų18864.4 Ų64.482%0.81733%0.328SS*.THydrogen-bonded Turntrans-90.3-8.4-176.9-67.2-178.7-179.5176.20112.8D170 S174D170-K172 PolarHBondContact O-N 3.09Å; D170-K172 VanDerWaalsContact O-N 3.15Å; K172-S174 PolarHBondContact O-N 3.39Å
173K90.6Very high90.4Very high191 Ų19165.4 Ų65.483%0.8333%0.334SS*.  trans52.936.9-172.8-56.9-175.3178.4-176.70112D170 G175D170-K173 PolarHBondContact O-N 3.47Å; D170-K173 VanDerWaalsContact O-N 3.12Å; D170-K173 WeakPolarHBondContact OD1-CA 3.28Å; D170-K173 PolarHBondContact OD1-N 2.94Å; D170-K173 WeakPolarHBondContact OD2-CA 3.31Å; K173-G175 VanDerWaalsContact C-N 3.35Å
174S87.9Confident90.3Very high68 Ų6862.1 Ų62.148%0.47633%0.327SS..SBendtrans-88.1-5-179.651.10000113D170 K172 T176D170-S174 PolarHBondContact OD1-N 3.15Å; D170-S174 PolarHBondContact OD2-N 2.89Å; K172-S174 PolarHBondContact O-N 3.39Å; S174-T176 VanDerWaalsContact C-N 3.26Å; S174-T176 PolarHBondContact OG-OG1 2.9Å; S174-T176 VanDerWaalsContact OG-OG1 3.09Å
175G88.4Confident90.2Very high34 Ų3461.3 Ų61.335%0.35132%0.323SS..SBendtrans76.214.2-174.300000113.3D170 K173 F216D170-G175 WeakPolarHBondContact OD2-CA 3.34Å; D170-G175 PolarHBondContact OD2-N 3.46Å; K173-G175 VanDerWaalsContact C-N 3.35Å; G175-F216 PolarHBondContact O-N 3.19Å
176T90.9Very high90.1Very high45 Ų4561.3 Ų61.328%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-140.6143.1-176.455.20000111.3S174 V214S174-T176 VanDerWaalsContact C-N 3.26Å; S174-T176 PolarHBondContact OG-OG1 2.9Å; S174-T176 VanDerWaalsContact OG-OG1 3.09Å; T176-V214 CarbonylContact C-O 3.44Å; T176-V214 VanDerWaalsContact CA-O 3.29Å; T176-V214 WeakPolarHBondContact CA-O 3.36Å
177I92.5Very high89.8Confident3 Ų362.7 Ų62.72%0.01533%0.334CS..EExtended strand (participates in β ladder)trans-122.5162.6175.863.7174.2000110.4F166 K169 D170 D181 F182 I185 M213 V214F166-I177 HydrophobicContact CD1-CG2 4.36Å; F166-I177 HydrophobicContact CD2-CD1 3.59Å; F166-I177 HydrophobicContact CD2-CG1 4.1Å; F166-I177 HydrophobicContact CD2-CG2 4.14Å; F166-I177 HydrophobicContact CE1-CG2 4.08Å; F166-I177 HydrophobicContact CE2-CB 4.31Å; F166-I177 HydrophobicContact CE2-CD1 3.63Å; F166-I177 HydrophobicContact CE2-CG1 3.61Å; F166-I177 HydrophobicContact CE2-CG2 3.87Å; F166-I177 HydrophobicContact CG-CG2 4.37Å; F166-I177 HydrophobicContact CZ-CG1 4.22Å; F166-I177 HydrophobicContact CZ-CG2 3.82Å; K169-I177 HydrophobicContact CB-CG2 4.16Å; D170-I177 HydrophobicContact CB-CG2 4.02Å; I177-D181 HydrophobicContact CB-CB 4.15Å; I177-D181 HydrophobicContact CD1-CB 4.48Å; I177-F182 HydrophobicContact CD1-CB 3.94Å; I177-F182 HydrophobicContact CG1-CB 4.43Å; I177-I185 HydrophobicContact CD1-CD1 3.73Å; I177-M213 CarbonylContact O-C 3.56Å; I177-M213 WeakPolarHBondContact O-CA 3.27Å; I177-M213 WeakPolarHBondContact O-CE 3.22Å; I177-V214 HydrophobicContact CG1-CB 3.96Å; I177-V214 HydrophobicContact CG1-CG1 4.45Å; I177-V214 PolarHBondContact N-O 3.48Å; I177-V214 PolarHBondContact O-N 3.28Å
178T91.7Very high89.4Confident52 Ų5260.9 Ų60.932%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-74.2158.5176.971.50000111.3L180 D181 F182 M213T178-L180 PolarHBondContact O-N 3.32Å; T178-D181 WeakPolarHBondContact CB-OD2 3.32Å; T178-D181 PolarHBondContact N-OD2 2.72Å; T178-D181 PolarHBondContact O-N 2.85Å; T178-D181 PolarHBondContact OG1-N 3.26Å; T178-D181 VanDerWaalsContact OG1-N 3.08Å; T178-D181 PolarHBondContact OG1-OD2 3.36Å; T178-F182 PolarHBondContact O-N 3.34Å; T178-M213 HydrophobicContact CG2-CE 4.37Å; T178-M213 HydrophobicContact CG2-SD 3.96Å
179A89.3Confident88.9Confident11 Ų1156.9 Ų56.99%0.09130%0.298CS..Hα-helixtrans-57.1-32.7172.900000113.2S183 V203 A206 H212A179-S183 PolarHBondContact O-N 2.72Å; A179-V203 HydrophobicContact CB-CG1 4.22Å; A179-A206 HydrophobicContact CB-CB 3.52Å; A179-H212 PolarHBondContact N-O 2.89Å
180L88.7Confident88.5Confident127 Ų12754.4 Ų54.467%0.66529%0.287SS*.Hα-helixtrans-70.5-44.6175.8-69.8173000111.6T178 F182 S183 D184 V203T178-L180 PolarHBondContact O-N 3.32Å; L180-F182 VanDerWaalsContact C-N 3.28Å; L180-F182 PolarHBondContact O-N 3.1Å; L180-S183 PolarHBondContact O-N 3.46Å; L180-D184 WeakPolarHBondContact O-CB 3.41Å; L180-D184 PolarHBondContact O-N 3.47Å; L180-V203 HydrophobicContact CD2-CG2 4.49Å
181D90.5Very high87.8Confident42 Ų4256.4 Ų56.423%0.22530%0.296CS..Hα-helixtrans-62.6-38.2175.6-65.9-50.6000111.3K169 I177 T178 D184 I185K169-D181 HydrophobicContact CB-CB 4.13Å; K169-D181 HydrophobicContact CD-CB 4.33Å; K169-D181 HydrophobicContact CG-CB 4.3Å; K169-D181 IonicContact NZ-OD1 3.92Å; I177-D181 HydrophobicContact CB-CB 4.15Å; I177-D181 HydrophobicContact CD1-CB 4.48Å; T178-D181 WeakPolarHBondContact CB-OD2 3.32Å; T178-D181 PolarHBondContact N-OD2 2.72Å; T178-D181 PolarHBondContact O-N 2.85Å; T178-D181 PolarHBondContact OG1-N 3.26Å; T178-D181 VanDerWaalsContact OG1-N 3.08Å; T178-D181 PolarHBondContact OG1-OD2 3.36Å; D181-D184 PolarHBondContact O-N 2.94Å; D181-I185 VanDerWaalsContact O-CG1 3.24Å; D181-I185 WeakPolarHBondContact O-CG1 3.01Å; D181-I185 PolarHBondContact O-N 3.25Å
182F91.5Very high87.2Confident0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-60.6-48.8173.4170-108.3000111.8I177 T178 L180 D184 I185 M186 L202 A206 V214 F219 F222I177-F182 HydrophobicContact CD1-CB 3.94Å; I177-F182 HydrophobicContact CG1-CB 4.43Å; T178-F182 PolarHBondContact O-N 3.34Å; L180-F182 VanDerWaalsContact C-N 3.28Å; L180-F182 PolarHBondContact O-N 3.1Å; F182-D184 VanDerWaalsContact C-N 3.31Å; F182-D184 PolarHBondContact O-N 3.17Å; F182-I185 PolarHBondContact O-N 3.33Å; F182-M186 HydrophobicContact CD2-CG 3.97Å; F182-M186 HydrophobicContact CE1-CG 4.35Å; F182-M186 HydrophobicContact CE2-CG 3.52Å; F182-M186 HydrophobicContact CE2-SD 4.07Å; F182-M186 HydrophobicContact CZ-CG 3.75Å; F182-M186 WeakPolarHBondContact O-CG 3.38Å; F182-M186 PolarHBondContact O-N 2.95Å; F182-L202 HydrophobicContact CE1-CB 4.25Å; F182-L202 HydrophobicContact CE1-CD2 3.83Å; F182-L202 HydrophobicContact CZ-CD2 4.16Å; F182-A206 HydrophobicContact CD1-CB 3.9Å; F182-A206 HydrophobicContact CE1-CB 4.45Å; F182-V214 HydrophobicContact CB-CB 4.27Å; F182-V214 HydrophobicContact CB-CG2 3.84Å; F182-V214 HydrophobicContact CD1-CG2 4.26Å; F182-V214 HydrophobicContact CD2-CG1 4.05Å; F182-V214 HydrophobicContact CD2-CG2 4.4Å; F182-V214 HydrophobicContact CG-CB 4.47Å; F182-V214 HydrophobicContact CG-CG1 4.38Å; F182-V214 HydrophobicContact CG-CG2 3.91Å; F182-F219 AromaticContact CD2-CD2 3.74Å; F182-F219 HydrophobicContact CD2-CD2 3.74Å; F182-F219 HydrophobicContact CD2-CE2 4.3Å; F182-F219 AromaticContact CE2-CD2 3.76Å; F182-F219 HydrophobicContact CE2-CD2 3.76Å; F182-F219 HydrophobicContact CE2-CE2 4.33Å; F182-F222 HydrophobicContact CE2-CD1 4.37Å; F182-F222 HydrophobicContact CE2-CG 4.4Å; F182-F222 HydrophobicContact CZ-CB 4.5Å; F182-F222 AromaticContact CZ-CD1 3.82Å; F182-F222 HydrophobicContact CZ-CD1 3.82Å; F182-F222 HydrophobicContact CZ-CD2 4.03Å; F182-F222 AromaticContact CZ-CE1 3.97Å; F182-F222 HydrophobicContact CZ-CE1 3.97Å; F182-F222 HydrophobicContact CZ-CE2 4.2Å; F182-F222 AromaticContact CZ-CG 3.85Å; F182-F222 HydrophobicContact CZ-CG 3.85Å; F182-F222 HydrophobicContact CZ-CZ 4.18Å
183S89.6Confident86.6Confident23 Ų2340.2 Ų40.216%0.16123%0.226CC..Hα-helixtrans-59.9-43.5177.8-1670000111.5A179 L180 M186 S187A179-S183 PolarHBondContact O-N 2.72Å; L180-S183 PolarHBondContact O-N 3.46Å; S183-M186 PolarHBondContact O-N 2.89Å; S183-S187 WeakPolarHBondContact O-CB 3.34Å; S183-S187 PolarHBondContact O-N 2.86Å; S183-S187 PolarHBondContact O-OG 3.34Å
184D88.8Confident86.1Confident70 Ų7031.9 Ų31.937%0.37419%0.19SC..Hα-helixtrans-63.3-44.3179.4-172.434000112.2K169 L180 D181 F182 T188K169-D184 WeakPolarHBondContact CE-OD2 3.36Å; K169-D184 IonicContact NZ-OD2 2.65Å; K169-D184 PolarHBondContact NZ-OD2 3.46Å; L180-D184 WeakPolarHBondContact O-CB 3.41Å; L180-D184 PolarHBondContact O-N 3.47Å; D181-D184 PolarHBondContact O-N 2.94Å; F182-D184 VanDerWaalsContact C-N 3.31Å; F182-D184 PolarHBondContact O-N 3.17Å; D184-T188 WeakPolarHBondContact O-CB 3.46Å; D184-T188 PolarHBondContact O-N 3.13Å; D184-T188 PolarHBondContact O-OG1 3.47Å
185I89.6Confident85.9Confident1 Ų129.3 Ų29.31%0.00517%0.172CC..Hα-helixtrans-60.4-49.3175.1-68.2165.7000110.8A165 K169 I177 D181 F182 T188 I189 F219A165-I185 HydrophobicContact CB-CG1 4.25Å; A165-I185 HydrophobicContact CB-CG2 3.94Å; K169-I185 HydrophobicContact CB-CD1 4.12Å; K169-I185 HydrophobicContact CG-CD1 3.79Å; K169-I185 HydrophobicContact CG-CG1 3.95Å; I177-I185 HydrophobicContact CD1-CD1 3.73Å; D181-I185 VanDerWaalsContact O-CG1 3.24Å; D181-I185 WeakPolarHBondContact O-CG1 3.01Å; D181-I185 PolarHBondContact O-N 3.25Å; F182-I185 PolarHBondContact O-N 3.33Å; I185-T188 PolarHBondContact O-N 3.49Å; I185-I189 HydrophobicContact CG2-CD1 4.38Å; I185-I189 PolarHBondContact O-N 2.75Å; I185-F219 HydrophobicContact CG2-CE2 3.82Å; I185-F219 HydrophobicContact CG2-CZ 3.85Å
186M88.4Confident85.4Confident0 Ų032.1 Ų32.10%018%0.184CC..Hα-helixtrans-67.1-45.3-175.3-69.1-59.1-62.300111.8F182 S183 T188 R190 H191 L194 L202 F219 F222 L226F182-M186 HydrophobicContact CD2-CG 3.97Å; F182-M186 HydrophobicContact CE1-CG 4.35Å; F182-M186 HydrophobicContact CE2-CG 3.52Å; F182-M186 HydrophobicContact CE2-SD 4.07Å; F182-M186 HydrophobicContact CZ-CG 3.75Å; F182-M186 WeakPolarHBondContact O-CG 3.38Å; F182-M186 PolarHBondContact O-N 2.95Å; S183-M186 PolarHBondContact O-N 2.89Å; M186-T188 VanDerWaalsContact C-N 3.27Å; M186-T188 PolarHBondContact O-N 2.84Å; M186-R190 HydrophobicContact CE-CB 4.02Å; M186-R190 CarbonylContact O-C 3.46Å; M186-R190 VanDerWaalsContact O-CA 3.3Å; M186-R190 WeakPolarHBondContact O-CA 3.36Å; M186-R190 PolarHBondContact O-N 2.89Å; M186-H191 PolarHBondContact O-N 3.44Å; M186-L194 HydrophobicContact CB-CD1 4.21Å; M186-L194 HydrophobicContact CE-CD2 4.07Å; M186-L202 HydrophobicContact CB-CD1 3.81Å; M186-L202 HydrophobicContact CB-CD2 4.23Å; M186-L202 HydrophobicContact CG-CD2 4.39Å; M186-F219 HydrophobicContact SD-CE2 3.83Å; M186-F222 HydrophobicContact CE-CD1 3.82Å; M186-F222 HydrophobicContact CE-CE1 3.83Å; M186-L226 HydrophobicContact CE-CD1 3.94Å
187S85.5Confident85.1Confident38 Ų3831.7 Ų31.727%0.26618%0.178SC..Hα-helixtrans-68.6-23.3176.8-670000113.1S183 H191S183-S187 WeakPolarHBondContact O-CB 3.34Å; S183-S187 PolarHBondContact O-N 2.86Å; S183-S187 PolarHBondContact O-OG 3.34Å; S187-H191 WeakPolarHBondContact O-CB 3.32Å
188T82.1Confident84.9Confident26 Ų2631.5 Ų31.516%0.1618%0.177CC..Hα-helixtrans-85.4-57.8177.4-590000111.7H123 I124 D184 I185 M186 H191H123-T188 HydrophobicContact CB-CG2 3.36Å; I124-T188 HydrophobicContact CD1-CG2 3.97Å; I124-T188 HydrophobicContact CG1-CG2 4.06Å; D184-T188 WeakPolarHBondContact O-CB 3.46Å; D184-T188 PolarHBondContact O-N 3.13Å; D184-T188 PolarHBondContact O-OG1 3.47Å; I185-T188 PolarHBondContact O-N 3.49Å; M186-T188 VanDerWaalsContact C-N 3.27Å; M186-T188 PolarHBondContact O-N 2.84Å; T188-H191 PolarHBondContact O-ND1 2.88Å
189I80.8Confident84.6Confident9 Ų933.4 Ų33.45%0.04618%0.182CC..Hα-helixtrans-85.9-32.8-170.1-64.5172.3000112V120 I124 A165 I185V120-I189 HydrophobicContact CG1-CB 4.25Å; V120-I189 HydrophobicContact CG1-CG1 4.18Å; V120-I189 HydrophobicContact CG1-CG2 4.19Å; I124-I189 HydrophobicContact CB-CD1 4.16Å; I124-I189 HydrophobicContact CB-CG1 4.45Å; I124-I189 HydrophobicContact CD1-CD1 3.77Å; I124-I189 HydrophobicContact CD1-CG1 4.03Å; I124-I189 HydrophobicContact CG2-CD1 4.12Å; A165-I189 HydrophobicContact CB-CD1 3.25Å; I185-I189 HydrophobicContact CG2-CD1 4.38Å; I185-I189 PolarHBondContact O-N 2.75Å
190R80Confident84.4Confident6 Ų640.4 Ų40.42%0.02321%0.213CC..  trans-122.222.7-168.3-58.6-153.876.4167.73114.1M186 H192 M193 N223 N227M186-R190 HydrophobicContact CE-CB 4.02Å; M186-R190 CarbonylContact O-C 3.46Å; M186-R190 VanDerWaalsContact O-CA 3.3Å; M186-R190 WeakPolarHBondContact O-CA 3.36Å; M186-R190 PolarHBondContact O-N 2.89Å; R190-H192 PolarHBondContact O-N 2.86Å; R190-M193 PolarHBondContact O-N 3.44Å; R190-N223 WeakPolarHBondContact CD-OD1 3.39Å; R190-N223 PolarHBondContact NE-OD1 3.33Å; R190-N223 VanDerWaalsContact NH1-CB 3.27Å; R190-N223 VanDerWaalsContact NH1-CG 3.33Å; R190-N223 PolarHBondContact NH1-OD1 2.99Å; R190-N227 PolarHBondContact NH2-OD1 2.82Å
191H78.9Confident84.4Confident64 Ų6435.8 Ų35.830%0.29619%0.189SC..G310 helixtrans-51.4-33.6177.161.9-83.8000113.4M186 S187 T188 M193 L194 H659M186-H191 PolarHBondContact O-N 3.44Å; S187-H191 WeakPolarHBondContact O-CB 3.32Å; T188-H191 PolarHBondContact O-ND1 2.88Å; H191-M193 PolarHBondContact O-N 3.42Å; H191-L194 PolarHBondContact O-N 3.4Å; H191-L194 VanDerWaalsContact O-N 3.13Å; H191-H659 AromaticContact CD2-NE2 3.95Å; H191-H659 AromaticContact CE1-CD2 3.46Å; H191-H659 PolarHBondContact CE1-CD2 2.92Å; H191-H659 VanDerWaalsContact CE1-CD2 3.46Å; H191-H659 AromaticContact CE1-NE2 3.89Å; H191-H659 AromaticContact NE2-CD2 3.11Å; H191-H659 PolarHBondContact NE2-CD2 2.87Å; H191-H659 AromaticContact NE2-CE1 3.77Å; H191-H659 AromaticContact NE2-CG 3.72Å; H191-H659 AromaticContact NE2-NE2 3.17Å; H191-H659 PolarHBondContact NE2-NE2 2.64Å; H191-H659 VanDerWaalsContact NE2-NE2 3.17Å
192H76Confident84.3Confident26 Ų2633.8 Ų33.812%0.1218%0.178CC..G310 helixtrans-63.9-23.4176.562.4-91.4000114.8R190 R654 G657R190-H192 PolarHBondContact O-N 2.86Å; H192-R654 WeakPolarHBondContact CB-O 3.5Å; H192-R654 PolarHBondContact CD2-O 3.23Å; H192-R654 VanDerWaalsContact CG-O 3.26Å; H192-G657 WeakPolarHBondContact ND1-CA 3.26Å
193M76.4Confident84Confident9 Ų936.8 Ų36.84%0.04420%0.197CC..G310 helixtrans-93.1-5.9176.5-60-59.6-70.200113R190 H191 L226 N227 P294R190-M193 PolarHBondContact O-N 3.44Å; H191-M193 PolarHBondContact O-N 3.42Å; M193-L226 HydrophobicContact CB-CD1 4.17Å; M193-L226 HydrophobicContact CE-CB 4.22Å; M193-L226 WeakPolarHBondContact CE-O 3.47Å; M193-N227 WeakPolarHBondContact CE-OD1 3.05Å; M193-P294 HydrophobicContact CE-CG 3.99Å; M193-P294 WeakPolarHBondContact O-CB 3.14Å; M193-P294 WeakPolarHBondContact O-CG 3.28Å
194L80.7Confident83.8Confident16 Ų1638.5 Ų38.58%0.08421%0.209CC..  trans-97122.4-175.2-59.7178.1000109.8M186 H191 V198 E199 L202 L226M186-L194 HydrophobicContact CB-CD1 4.21Å; M186-L194 HydrophobicContact CE-CD2 4.07Å; H191-L194 PolarHBondContact O-N 3.4Å; H191-L194 VanDerWaalsContact O-N 3.13Å; L194-V198 HydrophobicContact CD2-CB 4.5Å; L194-V198 HydrophobicContact CD2-CG1 3.77Å; L194-E199 HydrophobicContact CB-CB 4.25Å; L194-E199 HydrophobicContact CD1-CG 4.47Å; L194-L202 HydrophobicContact CD1-CD1 3.85Å; L194-L202 HydrophobicContact CD2-CD2 4.13Å; L194-L226 HydrophobicContact CD2-CD1 3.99Å
195T82.8Confident83.5Confident14 Ų1435.1 Ų35.19%0.08619%0.191CC..  trans-75.8158.8163.168.20000109.2F197 V198 E199 R291 A293T195-F197 PolarHBondContact O-N 2.91Å; T195-F197 VanDerWaalsContact O-N 3.12Å; T195-V198 PolarHBondContact O-N 3.41Å; T195-V198 WeakPolarHBondContact OG1-CG2 3.1Å; T195-V198 PolarHBondContact OG1-N 2.72Å; T195-E199 WeakPolarHBondContact O-CB 3.21Å; T195-E199 PolarHBondContact O-N 2.9Å; T195-R291 VanDerWaalsContact CB-O 3.29Å; T195-R291 WeakPolarHBondContact CB-O 3.27Å; T195-R291 WeakPolarHBondContact CG2-O 3.33Å; T195-R291 PolarHBondContact OG1-O 3.08Å; T195-A293 WeakPolarHBondContact CG2-O 3.48Å
196P78.9Confident83.1Confident93 Ų9335.1 Ų35.160%0.60419%0.19SC*.Hα-helixtrans-53.6-36.5175.2-2734.8000112.5E200P196-E200 WeakPolarHBondContact O-CB 3.37Å; P196-E200 VanDerWaalsContact O-CG 3.31Å; P196-E200 WeakPolarHBondContact O-CG 3.32Å; P196-E200 PolarHBondContact O-N 3.06Å
197F84.1Confident82Confident35 Ų3536.1 Ų36.115%0.15420%0.201CC..Hα-helixtrans-63.8-47175.8174.2-104.5000112.3T195 N201 L274 H278 R291 V292T195-F197 PolarHBondContact O-N 2.91Å; T195-F197 VanDerWaalsContact O-N 3.12Å; F197-N201 WeakPolarHBondContact CE2-ND2 3.47Å; F197-N201 WeakPolarHBondContact O-CB 3.41Å; F197-N201 PolarHBondContact O-N 3.27Å; F197-N201 PolarHBondContact O-ND2 3.08Å; F197-L274 WeakPolarHBondContact CZ-O 3.38Å; F197-H278 HydrophobicContact CE2-CB 3.91Å; F197-H278 HydrophobicContact CZ-CB 3.9Å; F197-R291 HydrophobicContact CB-CB 4.37Å; F197-R291 HydrophobicContact CD1-CB 4.01Å; F197-R291 HydrophobicContact CG-CB 4.18Å; F197-V292 HydrophobicContact CD1-CG2 4.17Å; F197-V292 HydrophobicContact CE1-CG2 3.98Å
198V87.8Confident81Confident0 Ų036.9 Ų36.90%022%0.215CC..Hα-helixtrans-68.4-41.8180178.30000110.3L194 T195 N201 L202 F222 V292L194-V198 HydrophobicContact CD2-CB 4.5Å; L194-V198 HydrophobicContact CD2-CG1 3.77Å; T195-V198 PolarHBondContact O-N 3.41Å; T195-V198 WeakPolarHBondContact OG1-CG2 3.1Å; T195-V198 PolarHBondContact OG1-N 2.72Å; V198-N201 CarbonylContact O-C 3.32Å; V198-N201 PolarHBondContact O-N 3.48Å; V198-N201 VanDerWaalsContact O-N 3.12Å; V198-L202 HydrophobicContact CG1-CD2 4.14Å; V198-L202 WeakPolarHBondContact O-CG 3.28Å; V198-L202 PolarHBondContact O-N 3.29Å; V198-F222 HydrophobicContact CG1-CE1 4.3Å; V198-F222 HydrophobicContact CG1-CZ 3.83Å; V198-V292 HydrophobicContact CG2-CB 4.36Å; V198-V292 HydrophobicContact CG2-CG1 4.08Å; V198-V292 HydrophobicContact CG2-CG2 4.49Å
199E85.6Confident80Confident91 Ų9137.1 Ų37.143%0.42522%0.218SC..Hα-helixtrans-59.1-49.2-179.9-172.1172.3-162.300112.3L194 T195 N201 L202L194-E199 HydrophobicContact CB-CB 4.25Å; L194-E199 HydrophobicContact CD1-CG 4.47Å; T195-E199 WeakPolarHBondContact O-CB 3.21Å; T195-E199 PolarHBondContact O-N 2.9Å; E199-N201 PolarHBondContact O-N 3.5Å; E199-L202 PolarHBondContact O-N 3.32Å
200E86.5Confident78.9Confident159 Ų15944.1 Ų44.174%0.74326%0.261SS*.Hα-helixtrans-62.6-25.3177.1-72.7175.5-175.700112.8P196P196-E200 WeakPolarHBondContact O-CB 3.37Å; P196-E200 VanDerWaalsContact O-CG 3.31Å; P196-E200 WeakPolarHBondContact O-CG 3.32Å; P196-E200 PolarHBondContact O-N 3.06Å
201N88.1Confident78.3Confident29 Ų2947.1 Ų47.116%0.15528%0.283CS..THydrogen-bonded Turntrans-105.65.9-173.4-73.2-70.4000114.4F197 V198 E199 V203 S204 A205 L277F197-N201 WeakPolarHBondContact CE2-ND2 3.47Å; F197-N201 WeakPolarHBondContact O-CB 3.41Å; F197-N201 PolarHBondContact O-N 3.27Å; F197-N201 PolarHBondContact O-ND2 3.08Å; V198-N201 CarbonylContact O-C 3.32Å; V198-N201 PolarHBondContact O-N 3.48Å; V198-N201 VanDerWaalsContact O-N 3.12Å; E199-N201 PolarHBondContact O-N 3.5Å; N201-V203 VanDerWaalsContact C-N 3.35Å; N201-V203 PolarHBondContact O-N 3.32Å; N201-S204 PolarHBondContact O-N 3.18Å; N201-A205 VanDerWaalsContact O-CB 3.3Å; N201-A205 WeakPolarHBondContact O-CB 3.27Å; N201-A205 PolarHBondContact O-N 3.32Å; N201-L277 HydrophobicContact CB-CD1 3.75Å
202L87.8Confident78.3Confident0 Ų050.3 Ų50.30%030%0.298CS..Hα-helixtrans-57.5-45.2-179.3-73.8174.4000112.8F182 M186 L194 V198 E199 A205 A206 F222F182-L202 HydrophobicContact CE1-CB 4.25Å; F182-L202 HydrophobicContact CE1-CD2 3.83Å; F182-L202 HydrophobicContact CZ-CD2 4.16Å; M186-L202 HydrophobicContact CB-CD1 3.81Å; M186-L202 HydrophobicContact CB-CD2 4.23Å; M186-L202 HydrophobicContact CG-CD2 4.39Å; L194-L202 HydrophobicContact CD1-CD1 3.85Å; L194-L202 HydrophobicContact CD2-CD2 4.13Å; V198-L202 HydrophobicContact CG1-CD2 4.14Å; V198-L202 WeakPolarHBondContact O-CG 3.28Å; V198-L202 PolarHBondContact O-N 3.29Å; E199-L202 PolarHBondContact O-N 3.32Å; L202-A205 PolarHBondContact O-N 3.06Å; L202-A206 WeakPolarHBondContact O-CB 3.36Å; L202-A206 PolarHBondContact O-N 3.37Å; L202-F222 HydrophobicContact CD2-CE1 3.9Å; L202-F222 HydrophobicContact CD2-CZ 3.72Å
203V85.8Confident78.8Confident63 Ų6352.1 Ų52.138%0.38231%0.307SS..Hα-helixtrans-68-40.2179.9-178.70000110.8A179 L180 N201 A206 G207A179-V203 HydrophobicContact CB-CG1 4.22Å; L180-V203 HydrophobicContact CD2-CG2 4.49Å; N201-V203 VanDerWaalsContact C-N 3.35Å; N201-V203 PolarHBondContact O-N 3.32Å; V203-A206 PolarHBondContact O-N 2.85Å; V203-G207 PolarHBondContact O-N 2.94Å
204S85.1Confident79.5Confident59 Ų5951.7 Ų51.741%0.41331%0.305SS..Hα-helixtrans-67.1-38.8177-580000112.1N201 G207 G208N201-S204 PolarHBondContact O-N 3.18Å; S204-G207 PolarHBondContact O-N 2.93Å; S204-G208 PolarHBondContact O-N 3.04Å
205A83.8Confident80Confident0 Ų052.8 Ų52.80%031%0.314CS..Hα-helixtrans-66.2-41.7174.300000111.3N201 L202 G207 Y218 F222 Q273 L274N201-A205 VanDerWaalsContact O-CB 3.3Å; N201-A205 WeakPolarHBondContact O-CB 3.27Å; N201-A205 PolarHBondContact O-N 3.32Å; L202-A205 PolarHBondContact O-N 3.06Å; A205-G207 VanDerWaalsContact C-N 3.33Å; A205-Y218 PolarHBondContact O-OH 2.86Å; A205-Y218 VanDerWaalsContact O-OH 3.06Å; A205-F222 HydrophobicContact CB-CE2 4.39Å; A205-Q273 PolarHBondContact O-NE2 3.39Å; A205-L274 HydrophobicContact CB-CD2 3.77Å
206A79.9Confident80.5Confident0 Ų056.1 Ų56.10%033%0.327CS..Hα-helixtrans-65.5-37.8171.800000112.4A179 F182 L202 V203 G208 S209 V214A179-A206 HydrophobicContact CB-CB 3.52Å; F182-A206 HydrophobicContact CD1-CB 3.9Å; F182-A206 HydrophobicContact CE1-CB 4.45Å; L202-A206 WeakPolarHBondContact O-CB 3.36Å; L202-A206 PolarHBondContact O-N 3.37Å; V203-A206 PolarHBondContact O-N 2.85Å; A206-G208 PolarHBondContact O-N 2.74Å; A206-S209 PolarHBondContact O-N 3.23Å; A206-S209 PolarHBondContact O-OG 3.08Å; A206-V214 HydrophobicContact CB-CG2 3.4Å
207G66.4Low81.1Confident21 Ų2155 Ų5522%0.21632%0.322CS..Hα-helixtrans-76.1-14.2-176.700000115.8V203 S204 A205 S209 H212V203-G207 PolarHBondContact O-N 2.94Å; S204-G207 PolarHBondContact O-N 2.93Å; A205-G207 VanDerWaalsContact C-N 3.33Å; G207-S209 PolarHBondContact O-N 3.12Å; G207-H212 PolarHBondContact O-ND1 3.36Å
208G64.2Low81.4Confident55 Ų5554.3 Ų54.357%0.56732%0.319SS*.THydrogen-bonded Turntrans-74.3-12.3173.700000114S204 A206S204-G208 PolarHBondContact O-N 3.04Å; A206-G208 PolarHBondContact O-N 2.74Å
209S60.9Low81.6Confident31 Ų3154.5 Ų54.522%0.21732%0.319CS..SBendtrans-76.7137.9165.367.30000109.6A206 G207 S211 H212 M213A206-S209 PolarHBondContact O-N 3.23Å; A206-S209 PolarHBondContact O-OG 3.08Å; G207-S209 PolarHBondContact O-N 3.12Å; S209-S211 PolarHBondContact O-N 2.91Å; S209-H212 PolarHBondContact O-N 3.39Å; S209-H212 VanDerWaalsContact O-N 3.1Å; S209-M213 PolarHBondContact OG-O 3.12Å
210T57.8Low81.9Confident155 Ų15553.3 Ų53.395%0.95132%0.319SS*.THydrogen-bonded Turntrans-56.6-10.2-172.251.20000115.4
211S66.1Low82.2Confident70 Ų7046.1 Ų46.149%0.4929%0.286SS..THydrogen-bonded Turntrans-107.5-6.4-175.654.20000114.5S209 M213S209-S211 PolarHBondContact O-N 2.91Å; S211-M213 VanDerWaalsContact O-CG 3.3Å; S211-M213 WeakPolarHBondContact O-CG 3.32Å; S211-M213 PolarHBondContact O-N 3.33Å; S211-M213 PolarHBondContact OG-O 3.2Å
212H80.3Confident82.3Confident130 Ų13044.8 Ų44.860%0.60228%0.279SS*.SBendtrans51.221.7-168.1-60-62.4000114A179 G207 S209A179-H212 PolarHBondContact N-O 2.89Å; G207-H212 PolarHBondContact O-ND1 3.36Å; S209-H212 PolarHBondContact O-N 3.39Å; S209-H212 VanDerWaalsContact O-N 3.1Å
213M86.4Confident82.4Confident64 Ų6445 Ų4532%0.31528%0.28SS..EExtended strand (participates in β ladder)trans-126.7138.4-175.9-66.9-69-66.500108.6I177 T178 S209 S211I177-M213 CarbonylContact O-C 3.56Å; I177-M213 WeakPolarHBondContact O-CA 3.27Å; I177-M213 WeakPolarHBondContact O-CE 3.22Å; T178-M213 HydrophobicContact CG2-CE 4.37Å; T178-M213 HydrophobicContact CG2-SD 3.96Å; S209-M213 PolarHBondContact OG-O 3.12Å; S211-M213 VanDerWaalsContact O-CG 3.3Å; S211-M213 WeakPolarHBondContact O-CG 3.32Å; S211-M213 PolarHBondContact O-N 3.33Å; S211-M213 PolarHBondContact OG-O 3.2Å
214V89.9Confident82.6Confident0 Ų043.6 Ų43.60%028%0.275CS..EExtended strand (participates in β ladder)trans-99.3121-179.4176.70000109.3T176 I177 F182 A206 Y218 F219T176-V214 CarbonylContact C-O 3.44Å; T176-V214 VanDerWaalsContact CA-O 3.29Å; T176-V214 WeakPolarHBondContact CA-O 3.36Å; I177-V214 HydrophobicContact CG1-CB 3.96Å; I177-V214 HydrophobicContact CG1-CG1 4.45Å; I177-V214 PolarHBondContact N-O 3.48Å; I177-V214 PolarHBondContact O-N 3.28Å; F182-V214 HydrophobicContact CB-CB 4.27Å; F182-V214 HydrophobicContact CB-CG2 3.84Å; F182-V214 HydrophobicContact CD1-CG2 4.26Å; F182-V214 HydrophobicContact CD2-CG1 4.05Å; F182-V214 HydrophobicContact CD2-CG2 4.4Å; F182-V214 HydrophobicContact CG-CB 4.47Å; F182-V214 HydrophobicContact CG-CG1 4.38Å; F182-V214 HydrophobicContact CG-CG2 3.91Å; A206-V214 HydrophobicContact CB-CG2 3.4Å; V214-Y218 HydrophobicContact CG1-CD1 3.65Å; V214-Y218 HydrophobicContact CG1-CG 4.34Å; V214-Y218 HydrophobicContact CG2-CD1 4.5Å; V214-F219 HydrophobicContact CG1-CB 4.11Å
215S92.4Very high82.8Confident39 Ų3940.8 Ų40.827%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-78.4159.9172.168.90000111.5S217 Y218 F219S215-S217 PolarHBondContact O-N 3.23Å; S215-S217 PolarHBondContact OG-OG 3.38Å; S215-Y218 PolarHBondContact O-N 2.89Å; S215-Y218 PolarHBondContact OG-N 2.88Å; S215-F219 PolarHBondContact O-N 3.48Å
216F91.9Very high83Confident84 Ų8441 Ų4137%0.36826%0.257SS..Hα-helixtrans-58.9-35.8176-176.3-108.8000113.1R163 F166 G175 F219 T220R163-F216 HydrophobicContact CB-CE2 4.42Å; R163-F216 HydrophobicContact CG-CE2 3.98Å; R163-F216 HydrophobicContact CG-CZ 3.98Å; F166-F216 HydrophobicContact CB-CD2 4.44Å; F166-F216 HydrophobicContact CD1-CB 4.5Å; F166-F216 AromaticContact CD1-CD2 3.7Å; F166-F216 HydrophobicContact CD1-CD2 3.7Å; F166-F216 HydrophobicContact CD1-CE2 4.49Å; F166-F216 HydrophobicContact CD2-CD2 4.17Å; F166-F216 HydrophobicContact CE1-CB 3.87Å; F166-F216 AromaticContact CE1-CD2 3.94Å; F166-F216 HydrophobicContact CE1-CD2 3.94Å; F166-F216 HydrophobicContact CE1-CG 4.37Å; F166-F216 HydrophobicContact CE2-CB 4.34Å; F166-F216 HydrophobicContact CE2-CD2 4.37Å; F166-F216 AromaticContact CG-CD2 3.84Å; F166-F216 HydrophobicContact CG-CD2 3.84Å; F166-F216 HydrophobicContact CG-CE2 4.45Å; F166-F216 HydrophobicContact CZ-CB 3.79Å; F166-F216 HydrophobicContact CZ-CD2 4.28Å; G175-F216 PolarHBondContact O-N 3.19Å; F216-F219 HydrophobicContact CE2-CD1 4.47Å; F216-F219 PolarHBondContact O-N 2.96Å; F216-T220 WeakPolarHBondContact O-CB 3.37Å; F216-T220 PolarHBondContact O-N 3.49Å; F216-T220 PolarHBondContact O-OG1 2.97Å
217S91.7Very high83.2Confident71 Ų7144.5 Ų44.550%0.49728%0.275SS..Hα-helixtrans-67.4-40.917760.20000112.1S215 T220 A221S215-S217 PolarHBondContact O-N 3.23Å; S215-S217 PolarHBondContact OG-OG 3.38Å; S217-T220 PolarHBondContact O-N 3.38Å; S217-A221 VanDerWaalsContact O-CB 3.31Å; S217-A221 WeakPolarHBondContact O-CB 3.5Å; S217-A221 PolarHBondContact O-N 3.31Å
218Y92Very high84.1Confident20 Ų2044.6 Ų44.68%0.07827%0.273CS..Hα-helixtrans-65-45.1174.9-176.2-81.3000110.8A205 V214 S215 T220 A221 F222 M266 I270A205-Y218 PolarHBondContact O-OH 2.86Å; A205-Y218 VanDerWaalsContact O-OH 3.06Å; V214-Y218 HydrophobicContact CG1-CD1 3.65Å; V214-Y218 HydrophobicContact CG1-CG 4.34Å; V214-Y218 HydrophobicContact CG2-CD1 4.5Å; S215-Y218 PolarHBondContact O-N 2.89Å; S215-Y218 PolarHBondContact OG-N 2.88Å; Y218-T220 VanDerWaalsContact C-N 3.33Å; Y218-T220 PolarHBondContact O-N 2.69Å; Y218-A221 PolarHBondContact O-N 3.45Å; Y218-F222 HydrophobicContact CE1-CD2 4.12Å; Y218-F222 WeakPolarHBondContact O-CB 3.43Å; Y218-F222 PolarHBondContact O-N 3.27Å; Y218-M266 HydrophobicContact CD2-SD 4.28Å; Y218-I270 HydrophobicContact CD2-CD1 4.01Å; Y218-I270 HydrophobicContact CD2-CG1 4.11Å; Y218-I270 HydrophobicContact CE1-CD1 4.42Å; Y218-I270 HydrophobicContact CE2-CD1 3.87Å; Y218-I270 HydrophobicContact CE2-CG1 3.53Å; Y218-I270 HydrophobicContact CG-CD1 4.36Å
219F91.9Very high85.1Confident4 Ų442.2 Ų42.22%0.01825%0.247CC..Hα-helixtrans-56.1-47.5175.2176.4-105.1000111.7A162 F166 F182 I185 M186 V214 S215 F216 F222 N223A162-F219 HydrophobicContact CB-CE1 3.99Å; A162-F219 HydrophobicContact CB-CZ 3.89Å; A162-F219 WeakPolarHBondContact O-CE1 3.24Å; F166-F219 HydrophobicContact CB-CD1 4.35Å; F166-F219 HydrophobicContact CB-CE1 4.2Å; F166-F219 HydrophobicContact CD2-CB 3.93Å; F166-F219 AromaticContact CD2-CD1 3.89Å; F166-F219 HydrophobicContact CD2-CD1 3.89Å; F166-F219 HydrophobicContact CD2-CD2 4.28Å; F166-F219 HydrophobicContact CD2-CE1 4.46Å; F166-F219 AromaticContact CD2-CG 3.77Å; F166-F219 HydrophobicContact CD2-CG 3.77Å; F166-F219 HydrophobicContact CE2-CB 3.97Å; F166-F219 HydrophobicContact CE2-CG 4.32Å; F166-F219 HydrophobicContact CG-CD1 4.43Å; F182-F219 AromaticContact CD2-CD2 3.74Å; F182-F219 HydrophobicContact CD2-CD2 3.74Å; F182-F219 HydrophobicContact CD2-CE2 4.3Å; F182-F219 AromaticContact CE2-CD2 3.76Å; F182-F219 HydrophobicContact CE2-CD2 3.76Å; F182-F219 HydrophobicContact CE2-CE2 4.33Å; I185-F219 HydrophobicContact CG2-CE2 3.82Å; I185-F219 HydrophobicContact CG2-CZ 3.85Å; M186-F219 HydrophobicContact SD-CE2 3.83Å; V214-F219 HydrophobicContact CG1-CB 4.11Å; S215-F219 PolarHBondContact O-N 3.48Å; F216-F219 HydrophobicContact CE2-CD1 4.47Å; F216-F219 PolarHBondContact O-N 2.96Å; F219-F222 PolarHBondContact O-N 3.48Å; F219-N223 WeakPolarHBondContact CE2-ND2 3.47Å; F219-N223 WeakPolarHBondContact CZ-ND2 3.4Å; F219-N223 PolarHBondContact O-N 3.38Å; F219-N223 VanDerWaalsContact O-N 3.14Å; F219-N223 PolarHBondContact O-ND2 2.8Å
220T91.4Very high86.1Confident66 Ų6645.1 Ų45.141%0.40526%0.257SS..Hα-helixtrans-65.1-44.4179.7-54.80000111.5F216 S217 Y218 F222 N223 A224F216-T220 WeakPolarHBondContact O-CB 3.37Å; F216-T220 PolarHBondContact O-N 3.49Å; F216-T220 PolarHBondContact O-OG1 2.97Å; S217-T220 PolarHBondContact O-N 3.38Å; Y218-T220 VanDerWaalsContact C-N 3.33Å; Y218-T220 PolarHBondContact O-N 2.69Å; T220-F222 PolarHBondContact O-N 3.26Å; T220-N223 PolarHBondContact O-N 3.35Å; T220-A224 WeakPolarHBondContact O-CB 3.3Å; T220-A224 PolarHBondContact O-N 3.33Å
221A91.8Very high87.4Confident8 Ų839.5 Ų39.57%0.06622%0.221CC..Hα-helixtrans-64-39.2177.400000112.3S217 Y218 N223 A224 L225 M266 E267 I270S217-A221 VanDerWaalsContact O-CB 3.31Å; S217-A221 WeakPolarHBondContact O-CB 3.5Å; S217-A221 PolarHBondContact O-N 3.31Å; Y218-A221 PolarHBondContact O-N 3.45Å; A221-N223 VanDerWaalsContact C-N 3.33Å; A221-N223 PolarHBondContact O-N 2.98Å; A221-A224 PolarHBondContact O-N 3.25Å; A221-L225 WeakPolarHBondContact O-CB 3.4Å; A221-L225 PolarHBondContact O-N 2.93Å; A221-M266 HydrophobicContact CB-CB 3.97Å; A221-M266 HydrophobicContact CB-CG 3.44Å; A221-M266 VanDerWaalsContact CB-CG 3.44Å; A221-E267 HydrophobicContact CB-CG 4.25Å; A221-E267 WeakPolarHBondContact O-CG 3.42Å; A221-I270 HydrophobicContact CB-CD1 3.78Å
222F91.9Very high88.4Confident0 Ų036.2 Ų36.20%020%0.198CC..Hα-helixtrans-60.4-45175.8-167-84.1000111.3F182 M186 V198 L202 A205 Y218 F219 T220 L225 L226 I270 L274F182-F222 HydrophobicContact CE2-CD1 4.37Å; F182-F222 HydrophobicContact CE2-CG 4.4Å; F182-F222 HydrophobicContact CZ-CB 4.5Å; F182-F222 AromaticContact CZ-CD1 3.82Å; F182-F222 HydrophobicContact CZ-CD1 3.82Å; F182-F222 HydrophobicContact CZ-CD2 4.03Å; F182-F222 AromaticContact CZ-CE1 3.97Å; F182-F222 HydrophobicContact CZ-CE1 3.97Å; F182-F222 HydrophobicContact CZ-CE2 4.2Å; F182-F222 AromaticContact CZ-CG 3.85Å; F182-F222 HydrophobicContact CZ-CG 3.85Å; F182-F222 HydrophobicContact CZ-CZ 4.18Å; M186-F222 HydrophobicContact CE-CD1 3.82Å; M186-F222 HydrophobicContact CE-CE1 3.83Å; V198-F222 HydrophobicContact CG1-CE1 4.3Å; V198-F222 HydrophobicContact CG1-CZ 3.83Å; L202-F222 HydrophobicContact CD2-CE1 3.9Å; L202-F222 HydrophobicContact CD2-CZ 3.72Å; A205-F222 HydrophobicContact CB-CE2 4.39Å; Y218-F222 HydrophobicContact CE1-CD2 4.12Å; Y218-F222 WeakPolarHBondContact O-CB 3.43Å; Y218-F222 PolarHBondContact O-N 3.27Å; F219-F222 PolarHBondContact O-N 3.48Å; T220-F222 PolarHBondContact O-N 3.26Å; F222-L225 PolarHBondContact O-N 3.14Å; F222-L226 HydrophobicContact CD1-CD1 4.03Å; F222-L226 HydrophobicContact CD1-CG 4.39Å; F222-L226 HydrophobicContact CE1-CD1 3.67Å; F222-L226 HydrophobicContact CE1-CG 4.21Å; F222-L226 WeakPolarHBondContact O-CG 3.19Å; F222-L226 PolarHBondContact O-N 2.96Å; F222-L226 VanDerWaalsContact O-N 3.16Å; F222-I270 HydrophobicContact CB-CD1 4.11Å; F222-I270 HydrophobicContact CD2-CD1 4.48Å; F222-I270 HydrophobicContact CD2-CG2 3.42Å; F222-I270 VanDerWaalsContact CD2-CG2 3.42Å; F222-I270 HydrophobicContact CE2-CG2 3.84Å; F222-I270 HydrophobicContact CG-CG2 4.34Å; F222-L274 HydrophobicContact CE2-CD1 4.09Å; F222-L274 HydrophobicContact CE2-CD2 4.35Å; F222-L274 HydrophobicContact CZ-CD1 4.39Å
223N88.9Confident88.7Confident5 Ų532.2 Ų32.23%0.02718%0.178CC..Hα-helixtrans-65.3-40.3176.5-80.6-65.3000112.8R190 F219 T220 A221 N227R190-N223 WeakPolarHBondContact CD-OD1 3.39Å; R190-N223 PolarHBondContact NE-OD1 3.33Å; R190-N223 VanDerWaalsContact NH1-CB 3.27Å; R190-N223 VanDerWaalsContact NH1-CG 3.33Å; R190-N223 PolarHBondContact NH1-OD1 2.99Å; F219-N223 WeakPolarHBondContact CE2-ND2 3.47Å; F219-N223 WeakPolarHBondContact CZ-ND2 3.4Å; F219-N223 PolarHBondContact O-N 3.38Å; F219-N223 VanDerWaalsContact O-N 3.14Å; F219-N223 PolarHBondContact O-ND2 2.8Å; T220-N223 PolarHBondContact O-N 3.35Å; A221-N223 VanDerWaalsContact C-N 3.33Å; A221-N223 PolarHBondContact O-N 2.98Å; N223-N227 VanDerWaalsContact O-CG 3.3Å; N223-N227 PolarHBondContact O-N 3.46Å
224A89.2Confident88.6Confident34 Ų3435.6 Ų35.628%0.28119%0.191SC..Hα-helixtrans-67-38.7176.300000112.2T220 A221 N227 S228 E267T220-A224 WeakPolarHBondContact O-CB 3.3Å; T220-A224 PolarHBondContact O-N 3.33Å; A221-A224 PolarHBondContact O-N 3.25Å; A224-N227 PolarHBondContact O-N 2.95Å; A224-S228 WeakPolarHBondContact O-CB 3.31Å; A224-S228 PolarHBondContact O-N 3.27Å; A224-S228 PolarHBondContact O-OG 3.23Å; A224-E267 HydrophobicContact CB-CG 4.31Å
225L90.4Very high88.5Confident0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-59.5-51.8174.5174.466.5000110.7A221 F222 N227 S228 M229 I232 E267 I270 L271 L274A221-L225 WeakPolarHBondContact O-CB 3.4Å; A221-L225 PolarHBondContact O-N 2.93Å; F222-L225 PolarHBondContact O-N 3.14Å; L225-N227 VanDerWaalsContact C-N 3.27Å; L225-N227 PolarHBondContact O-N 3.49Å; L225-S228 CarbonylContact O-C 3.43Å; L225-S228 PolarHBondContact O-N 3.37Å; L225-S228 PolarHBondContact O-OG 3.24Å; L225-M229 HydrophobicContact CD1-SD 4.05Å; L225-M229 HydrophobicContact CG-SD 4.18Å; L225-M229 WeakPolarHBondContact O-CG 3.23Å; L225-M229 PolarHBondContact O-N 3.28Å; L225-I232 HydrophobicContact CD1-CD1 4.12Å; L225-I232 HydrophobicContact CD1-CG1 4.02Å; L225-E267 HydrophobicContact CB-CB 4.16Å; L225-E267 HydrophobicContact CB-CG 4.11Å; L225-E267 HydrophobicContact CD1-CB 4.29Å; L225-I270 HydrophobicContact CD2-CB 4.02Å; L225-I270 HydrophobicContact CD2-CG2 3.58Å; L225-L271 HydrophobicContact CD1-CB 4.05Å; L225-L271 HydrophobicContact CD2-CB 3.96Å; L225-L274 HydrophobicContact CD2-CD1 4.42Å
226L87.1Confident88.3Confident4 Ų434 Ų342%0.02118%0.178CC..Hα-helixtrans-59.9-37.9179.9-67.6-177.4000112.2M186 M193 L194 F222 S228 V292M186-L226 HydrophobicContact CE-CD1 3.94Å; M193-L226 HydrophobicContact CB-CD1 4.17Å; M193-L226 HydrophobicContact CE-CB 4.22Å; M193-L226 WeakPolarHBondContact CE-O 3.47Å; L194-L226 HydrophobicContact CD2-CD1 3.99Å; F222-L226 HydrophobicContact CD1-CD1 4.03Å; F222-L226 HydrophobicContact CD1-CG 4.39Å; F222-L226 HydrophobicContact CE1-CD1 3.67Å; F222-L226 HydrophobicContact CE1-CG 4.21Å; F222-L226 WeakPolarHBondContact O-CG 3.19Å; F222-L226 PolarHBondContact O-N 2.96Å; F222-L226 VanDerWaalsContact O-N 3.16Å; L226-S228 VanDerWaalsContact C-N 3.28Å; L226-S228 PolarHBondContact O-N 3.43Å; L226-V292 HydrophobicContact CD2-CG1 4.47Å
227N83.8Confident87.9Confident73 Ų7332.7 Ų32.739%0.3918%0.18SC..Hα-helixtrans-67.6-25.7175.6-74.4-7.3000113.6R190 M193 N223 A224 L225R190-N227 PolarHBondContact NH2-OD1 2.82Å; M193-N227 WeakPolarHBondContact CE-OD1 3.05Å; N223-N227 VanDerWaalsContact O-CG 3.3Å; N223-N227 PolarHBondContact O-N 3.46Å; A224-N227 PolarHBondContact O-N 2.95Å; L225-N227 VanDerWaalsContact C-N 3.27Å; L225-N227 PolarHBondContact O-N 3.49Å
228S86Confident87.6Confident24 Ų2433.6 Ų33.617%0.16818%0.183CC..THydrogen-bonded Turntrans-107.215.3-17460.80000113.3A224 L225 L226 E230 L231 I232A224-S228 WeakPolarHBondContact O-CB 3.31Å; A224-S228 PolarHBondContact O-N 3.27Å; A224-S228 PolarHBondContact O-OG 3.23Å; L225-S228 CarbonylContact O-C 3.43Å; L225-S228 PolarHBondContact O-N 3.37Å; L225-S228 PolarHBondContact O-OG 3.24Å; L226-S228 VanDerWaalsContact C-N 3.28Å; L226-S228 PolarHBondContact O-N 3.43Å; S228-E230 PolarHBondContact O-N 3.36Å; S228-E230 VanDerWaalsContact O-N 3.16Å; S228-L231 WeakPolarHBondContact O-CA 3.49Å; S228-L231 WeakPolarHBondContact O-CB 3.26Å; S228-L231 PolarHBondContact O-N 3.03Å; S228-I232 PolarHBondContact O-N 3.28Å
229M84.9Confident87.2Confident5 Ų536 Ų363%0.02520%0.197CC..Hα-helixtrans-60.1-29-177.5-76.3-57.5-59.100113.9L225 I232 R233 L271 I289 V292 A293L225-M229 HydrophobicContact CD1-SD 4.05Å; L225-M229 HydrophobicContact CG-SD 4.18Å; L225-M229 WeakPolarHBondContact O-CG 3.23Å; L225-M229 PolarHBondContact O-N 3.28Å; M229-I232 HydrophobicContact CE-CG2 4.16Å; M229-I232 WeakPolarHBondContact O-CB 3.4Å; M229-I232 PolarHBondContact O-N 3.11Å; M229-I232 HydrophobicContact SD-CB 4.39Å; M229-I232 HydrophobicContact SD-CG1 4.33Å; M229-I232 HydrophobicContact SD-CG2 4.41Å; M229-R233 WeakPolarHBondContact O-CB 3.36Å; M229-R233 PolarHBondContact O-N 2.79Å; M229-L271 HydrophobicContact CE-CD1 4.3Å; M229-L271 HydrophobicContact SD-CD1 4.43Å; M229-I289 HydrophobicContact CE-CG2 4.02Å; M229-V292 HydrophobicContact CE-CB 3.91Å; M229-V292 HydrophobicContact CE-CG1 3.8Å; M229-V292 HydrophobicContact SD-CG1 3.93Å; M229-A293 HydrophobicContact CB-CB 3.88Å; M229-A293 HydrophobicContact CE-CB 3.78Å; M229-A293 HydrophobicContact CG-CB 4.32Å
230E81.4Confident86.6Confident92 Ų9236.2 Ų36.243%0.4320%0.199SC..Hα-helixtrans-70.3-35172.9-76.9-57.6124.400112.7S228 R233 K234S228-E230 PolarHBondContact O-N 3.36Å; S228-E230 VanDerWaalsContact O-N 3.16Å; E230-R233 PolarHBondContact O-N 3Å; E230-R233 IonicContact OE1-CZ 2.9Å; E230-R233 IonicContact OE1-NE 3Å; E230-R233 PolarHBondContact OE1-NE 2.73Å; E230-R233 IonicContact OE1-NH2 3.55Å; E230-R233 IonicContact OE2-NE 3.79Å; E230-K234 WeakPolarHBondContact O-CB 3.5Å; E230-K234 PolarHBondContact O-N 3.47Å
231L85.2Confident85.9Confident37 Ų3735.8 Ų35.819%0.19421%0.208CC..Hα-helixtrans-67.6-42.6171.7-175.361.8000110.5S228 R233 K234 I235 F260 Q262 I263S228-L231 WeakPolarHBondContact O-CA 3.49Å; S228-L231 WeakPolarHBondContact O-CB 3.26Å; S228-L231 PolarHBondContact O-N 3.03Å; L231-R233 VanDerWaalsContact C-N 3.34Å; L231-R233 PolarHBondContact O-N 2.83Å; L231-K234 WeakPolarHBondContact O-CB 3.28Å; L231-K234 PolarHBondContact O-N 3.13Å; L231-I235 HydrophobicContact CG-CD1 4.02Å; L231-I235 VanDerWaalsContact O-CG1 3.26Å; L231-I235 WeakPolarHBondContact O-CG1 3.28Å; L231-I235 PolarHBondContact O-N 2.73Å; L231-F260 HydrophobicContact CD1-CD1 3.71Å; L231-F260 HydrophobicContact CD1-CE1 4.12Å; L231-F260 HydrophobicContact CD1-CG 4.32Å; L231-Q262 HydrophobicContact CD2-CB 4.41Å; L231-I263 HydrophobicContact CD2-CD1 3.84Å; L231-I263 HydrophobicContact CD2-CG1 3.84Å; L231-I263 HydrophobicContact CG-CD1 4Å
232I88.1Confident84.5Confident0 Ų040.7 Ų40.70%024%0.241CC..Hα-helixtrans-56.7-47.1173.1-66.8-69.4000110.9L225 S228 M229 K234 I235 Y236 F253 I263 L271L225-I232 HydrophobicContact CD1-CD1 4.12Å; L225-I232 HydrophobicContact CD1-CG1 4.02Å; S228-I232 PolarHBondContact O-N 3.28Å; M229-I232 HydrophobicContact CE-CG2 4.16Å; M229-I232 WeakPolarHBondContact O-CB 3.4Å; M229-I232 PolarHBondContact O-N 3.11Å; M229-I232 HydrophobicContact SD-CB 4.39Å; M229-I232 HydrophobicContact SD-CG1 4.33Å; M229-I232 HydrophobicContact SD-CG2 4.41Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.25Å; I232-I235 PolarHBondContact O-N 3Å; I232-Y236 WeakPolarHBondContact O-CB 3.39Å; I232-Y236 PolarHBondContact O-N 2.63Å; I232-F253 HydrophobicContact CB-CZ 4.4Å; I232-F253 HydrophobicContact CD1-CE1 3.69Å; I232-F253 HydrophobicContact CD1-CZ 3.64Å; I232-F253 HydrophobicContact CG2-CE2 4.47Å; I232-F253 HydrophobicContact CG2-CZ 3.89Å; I232-I263 HydrophobicContact CD1-CD1 3.52Å; I232-I263 HydrophobicContact CD1-CG2 4.29Å; I232-I263 HydrophobicContact CG1-CD1 4.19Å; I232-L271 HydrophobicContact CD1-CD2 4.17Å; I232-L271 HydrophobicContact CG2-CD2 3.67Å
233R85.9Confident83.4Confident47 Ų4746.8 Ų46.818%0.17727%0.27CS..Hα-helixtrans-59.6-42.8176.2-173.8-170-58.5-73.62111.6M229 E230 L231 Y236 S237 I289 A293M229-R233 WeakPolarHBondContact O-CB 3.36Å; M229-R233 PolarHBondContact O-N 2.79Å; E230-R233 PolarHBondContact O-N 3Å; E230-R233 IonicContact OE1-CZ 2.9Å; E230-R233 IonicContact OE1-NE 3Å; E230-R233 PolarHBondContact OE1-NE 2.73Å; E230-R233 IonicContact OE1-NH2 3.55Å; E230-R233 IonicContact OE2-NE 3.79Å; L231-R233 VanDerWaalsContact C-N 3.34Å; L231-R233 PolarHBondContact O-N 2.83Å; R233-Y236 PolarHBondContact O-N 3.02Å; R233-S237 WeakPolarHBondContact O-CB 2.99Å; R233-S237 PolarHBondContact O-N 3.36Å; R233-S237 PolarHBondContact O-OG 2.93Å; R233-I289 HydrophobicContact CB-CG2 4.12Å; R233-I289 HydrophobicContact CG-CG2 4.4Å; R233-A293 VanDerWaalsContact NH2-CB 3.3Å
234K84.8Confident82.2Confident135 Ų13553.4 Ų53.459%0.58730%0.298SS*.Hα-helixtrans-66-43.4177.9-167.5172.5-175.7176.90111.7E230 L231 I232 S237 T238E230-K234 WeakPolarHBondContact O-CB 3.5Å; E230-K234 PolarHBondContact O-N 3.47Å; L231-K234 WeakPolarHBondContact O-CB 3.28Å; L231-K234 PolarHBondContact O-N 3.13Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.25Å; K234-S237 PolarHBondContact O-N 2.72Å; K234-T238 WeakPolarHBondContact O-CG2 3.37Å; K234-T238 PolarHBondContact O-N 3.39Å
235I87.8Confident81.2Confident0 Ų060.3 Ų60.30%033%0.325CS..Hα-helixtrans-60-49.6175.5-68.6162.7000110.2L231 I232 S237 T238 L239 F253 A256 A257 F260 I263L231-I235 HydrophobicContact CG-CD1 4.02Å; L231-I235 VanDerWaalsContact O-CG1 3.26Å; L231-I235 WeakPolarHBondContact O-CG1 3.28Å; L231-I235 PolarHBondContact O-N 2.73Å; I232-I235 PolarHBondContact O-N 3Å; I235-S237 VanDerWaalsContact C-N 3.3Å; I235-S237 PolarHBondContact O-N 3Å; I235-T238 PolarHBondContact O-N 3.3Å; I235-T238 VanDerWaalsContact O-N 3.14Å; I235-T238 PolarHBondContact O-OG1 3.01Å; I235-L239 PolarHBondContact O-N 3.22Å; I235-F253 HydrophobicContact CB-CE2 4.21Å; I235-F253 HydrophobicContact CB-CZ 4.11Å; I235-F253 HydrophobicContact CG2-CD2 4.26Å; I235-F253 HydrophobicContact CG2-CE1 4.42Å; I235-F253 HydrophobicContact CG2-CE2 3.73Å; I235-F253 HydrophobicContact CG2-CZ 3.81Å; I235-A256 HydrophobicContact CG2-CB 3.78Å; I235-A257 HydrophobicContact CD1-CB 4.22Å; I235-F260 HydrophobicContact CB-CE2 4.45Å; I235-F260 HydrophobicContact CD1-CB 4.48Å; I235-F260 HydrophobicContact CD1-CD2 3.88Å; I235-F260 HydrophobicContact CD1-CE2 4.34Å; I235-F260 HydrophobicContact CD1-CG 4.16Å; I235-F260 HydrophobicContact CG1-CD2 3.53Å; I235-F260 HydrophobicContact CG1-CE1 4.47Å; I235-F260 HydrophobicContact CG1-CE2 3.48Å; I235-F260 VanDerWaalsContact CG1-CE2 3.48Å; I235-F260 HydrophobicContact CG1-CG 4.09Å; I235-F260 HydrophobicContact CG1-CZ 3.97Å; I235-I263 HydrophobicContact CD1-CD1 3.29Å; I235-I263 HydrophobicContact CD1-CG1 4.4Å
236Y87.7Confident80.7Confident4 Ų462.6 Ų62.62%0.01634%0.339CS..Hα-helixtrans-58.4-43.7176.1175.5-90000111.7I232 R233 T238 L239 A240 K244 T246 V248 L284 N285 N286 I289I232-Y236 WeakPolarHBondContact O-CB 3.39Å; I232-Y236 PolarHBondContact O-N 2.63Å; R233-Y236 PolarHBondContact O-N 3.02Å; Y236-T238 VanDerWaalsContact C-N 3.26Å; Y236-T238 PolarHBondContact O-N 2.64Å; Y236-L239 WeakPolarHBondContact O-CB 3.39Å; Y236-L239 PolarHBondContact O-N 3.5Å; Y236-A240 HydrophobicContact CD1-CB 4.05Å; Y236-A240 HydrophobicContact CE1-CB 3.57Å; Y236-A240 HydrophobicContact CE2-CB 4.49Å; Y236-A240 WeakPolarHBondContact O-CB 3.45Å; Y236-A240 PolarHBondContact O-N 3.05Å; Y236-K244 PolarHBondContact OH-O 3.32Å; Y236-T246 PolarHBondContact OH-O 3.34Å; Y236-V248 HydrophobicContact CD2-CB 4.47Å; Y236-V248 HydrophobicContact CD2-CG2 3.93Å; Y236-V248 HydrophobicContact CE2-CB 4.38Å; Y236-V248 HydrophobicContact CE2-CG2 3.73Å; Y236-L284 HydrophobicContact CD2-CD2 4.13Å; Y236-L284 HydrophobicContact CD2-CG 4.22Å; Y236-L284 HydrophobicContact CE2-CG 4.47Å; Y236-N285 WeakPolarHBondContact OH-CA 3.12Å; Y236-N286 HydrophobicContact CE1-CB 3.69Å; Y236-N286 VanDerWaalsContact CZ-N 3.3Å; Y236-N286 PolarHBondContact OH-N 2.52Å; Y236-I289 HydrophobicContact CD1-CD1 3.76Å; Y236-I289 HydrophobicContact CD2-CD1 3.63Å; Y236-I289 HydrophobicContact CE2-CD1 4.37Å; Y236-I289 HydrophobicContact CG-CD1 3.25Å
237S84.3Confident80.7Confident58 Ų5866.2 Ų66.241%0.40636%0.358SS..Hα-helixtrans-61.5-34178.7-59.90000112.4R233 K234 I235 L239 G241R233-S237 WeakPolarHBondContact O-CB 2.99Å; R233-S237 PolarHBondContact O-N 3.36Å; R233-S237 PolarHBondContact O-OG 2.93Å; K234-S237 PolarHBondContact O-N 2.72Å; I235-S237 VanDerWaalsContact C-N 3.3Å; I235-S237 PolarHBondContact O-N 3Å; S237-L239 VanDerWaalsContact C-N 3.31Å; S237-L239 PolarHBondContact O-N 2.91Å; S237-G241 PolarHBondContact O-N 3.02Å
238T85.1Confident80.9Confident90 Ų9062.8 Ų62.855%0.55234%0.34SS*.Hα-helixtrans-68.3-30174.563.60000113.2K234 I235 Y236K234-T238 WeakPolarHBondContact O-CG2 3.37Å; K234-T238 PolarHBondContact O-N 3.39Å; I235-T238 PolarHBondContact O-N 3.3Å; I235-T238 VanDerWaalsContact O-N 3.14Å; I235-T238 PolarHBondContact O-OG1 3.01Å; Y236-T238 VanDerWaalsContact C-N 3.26Å; Y236-T238 PolarHBondContact O-N 2.64Å
239L84.3Confident81.1Confident71 Ų7163.1 Ų63.137%0.37234%0.341SS..Hα-helixtrans-81.7-43.3176-72.8176000112.3I235 Y236 S237 V248 F253 A256I235-L239 PolarHBondContact O-N 3.22Å; Y236-L239 WeakPolarHBondContact O-CB 3.39Å; Y236-L239 PolarHBondContact O-N 3.5Å; S237-L239 VanDerWaalsContact C-N 3.31Å; S237-L239 PolarHBondContact O-N 2.91Å; L239-V248 HydrophobicContact CB-CG2 4.27Å; L239-V248 HydrophobicContact CD1-CG1 3.67Å; L239-V248 HydrophobicContact CD1-CG2 4.45Å; L239-F253 HydrophobicContact CD1-CD2 4.36Å; L239-A256 HydrophobicContact CD1-CB 3.63Å; L239-A256 HydrophobicContact CD2-CB 3.86Å; L239-A256 HydrophobicContact CG-CB 3.78Å
240A79.6Confident81.4Confident8 Ų866.2 Ų66.27%0.06635%0.354CS..Hα-helixtrans-78.2-22.4-175.500000113.5Y236 S242 H243 T246Y236-A240 HydrophobicContact CD1-CB 4.05Å; Y236-A240 HydrophobicContact CE1-CB 3.57Å; Y236-A240 HydrophobicContact CE2-CB 4.49Å; Y236-A240 WeakPolarHBondContact O-CB 3.45Å; Y236-A240 PolarHBondContact O-N 3.05Å; A240-S242 PolarHBondContact O-N 2.89Å; A240-H243 PolarHBondContact O-N 3.43Å; A240-H243 VanDerWaalsContact O-N 3.16Å; A240-T246 HydrophobicContact CB-CG2 4.5Å; A240-T246 PolarHBondContact O-OG1 2.97Å
241G76Confident81.8Confident57 Ų5768.1 Ų68.159%0.58836%0.363SS*.THydrogen-bonded Turntrans59.9-130.9-176.300000111.8S237 H243S237-G241 PolarHBondContact O-N 3.02Å; G241-H243 VanDerWaalsContact C-N 3.33Å
242S62.9Low82.1Confident110 Ų11071 Ų7177%0.76938%0.375SS*.THydrogen-bonded Turntrans-81.3-8176.949.80000114.3A240A240-S242 PolarHBondContact O-N 2.89Å
243H68.3Low82.2Confident129 Ų12971 Ų7160%0.59738%0.375SS*.  trans-98.2104.9-173.7-66.7-75.9000110.9A240 G241 E245 T246A240-H243 PolarHBondContact O-N 3.43Å; A240-H243 VanDerWaalsContact O-N 3.16Å; G241-H243 VanDerWaalsContact C-N 3.33Å; H243-E245 PolarHBondContact O-N 3.42Å; H243-T246 WeakPolarHBondContact CB-OG1 3.22Å; H243-T246 PolarHBondContact O-N 2.65Å; H243-T246 PolarHBondContact O-OG1 3.07Å
244K63.3Low82.5Confident143 Ų14370.6 Ų70.662%0.62238%0.378SS*.THydrogen-bonded Turntrans-67.2-17.9-178.5-67.4-173.4177.4-177.20114.4Y236Y236-K244 PolarHBondContact OH-O 3.32Å
245E69.4Low82.7Confident179 Ų17970.2 Ų70.284%0.83638%0.378SS*.THydrogen-bonded Turntrans-93.44.1-177.9-61.7-173.5166.500114H243 L247H243-E245 PolarHBondContact O-N 3.42Å; E245-L247 PolarHBondContact O-N 2.97Å
246T79.8Confident82.6Confident49 Ų4970.5 Ų70.530%0.30138%0.38SS..  trans-61.7122179.9-54.40000110.8Y236 A240 H243 V248Y236-T246 PolarHBondContact OH-O 3.34Å; A240-T246 HydrophobicContact CB-CG2 4.5Å; A240-T246 PolarHBondContact O-OG1 2.97Å; H243-T246 WeakPolarHBondContact CB-OG1 3.22Å; H243-T246 PolarHBondContact O-N 2.65Å; H243-T246 PolarHBondContact O-OG1 3.07Å; T246-V248 HydrophobicContact CG2-CG2 4.38Å
247L85.5Confident82.7Confident79 Ų7970.3 Ų70.341%0.41438%0.38SS..  trans-89.9118.5176.7-62.1177.7000109.6E245 R283 N285E245-L247 PolarHBondContact O-N 2.97Å; L247-R283 HydrophobicContact CB-CB 4Å; L247-R283 HydrophobicContact CB-CG 4.45Å; L247-N285 HydrophobicContact CD2-CB 3.92Å
248V88.3Confident82.8Confident2 Ų272.9 Ų72.91%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-104.9131.7-176.4178.60000110.1Y236 L239 T246 E252 F253 R283 L284Y236-V248 HydrophobicContact CD2-CB 4.47Å; Y236-V248 HydrophobicContact CD2-CG2 3.93Å; Y236-V248 HydrophobicContact CE2-CB 4.38Å; Y236-V248 HydrophobicContact CE2-CG2 3.73Å; L239-V248 HydrophobicContact CB-CG2 4.27Å; L239-V248 HydrophobicContact CD1-CG1 3.67Å; L239-V248 HydrophobicContact CD1-CG2 4.45Å; T246-V248 HydrophobicContact CG2-CG2 4.38Å; V248-E252 HydrophobicContact CG1-CB 3.93Å; V248-F253 HydrophobicContact CG1-CB 4.01Å; V248-F253 HydrophobicContact CG1-CD2 4.35Å; V248-R283 CarbonylContact O-C 3.49Å; V248-R283 WeakPolarHBondContact O-CA 3.47Å; V248-L284 PolarHBondContact N-O 3.47Å; V248-L284 PolarHBondContact O-N 3.45Å
249T91.3Very high82.8Confident31 Ų3176.5 Ų76.519%0.1940%0.397CS..EExtended strand (participates in β ladder)trans-80.9165.3174.983.10000111.9E251 E252 F253T249-E251 VanDerWaalsContact C-N 3.31Å; T249-E251 WeakPolarHBondContact CB-OE2 3.45Å; T249-E251 PolarHBondContact O-N 3.27Å; T249-E251 PolarHBondContact OG1-N 2.98Å; T249-E251 PolarHBondContact OG1-OE2 3.19Å; T249-E252 PolarHBondContact N-OE2 3.03Å; T249-E252 PolarHBondContact O-N 3.4Å; T249-E252 WeakPolarHBondContact OG1-CG 3.24Å; T249-E252 PolarHBondContact OG1-N 3.47Å; T249-F253 WeakPolarHBondContact O-CB 3.21Å; T249-F253 PolarHBondContact O-N 3.47Å
250K91.2Very high82.6Confident70 Ų7076.4 Ų76.430%0.30439%0.394SS..Hα-helixtrans-58.2-43.9177.4-174.3-179.7176.2-178.60111.9F253 V254 I268 D269 F272K250-F253 PolarHBondContact O-N 3.23Å; K250-V254 HydrophobicContact CG-CG2 4.46Å; K250-V254 VanDerWaalsContact O-CG2 3.24Å; K250-V254 WeakPolarHBondContact O-CG2 3.41Å; K250-V254 PolarHBondContact O-N 3.39Å; K250-I268 HydrophobicContact CG-CG2 4.38Å; K250-D269 WeakPolarHBondContact CE-OD1 3.36Å; K250-D269 VanDerWaalsContact NZ-CG 3.32Å; K250-D269 IonicContact NZ-OD1 2.68Å; K250-D269 PolarHBondContact NZ-OD1 3.27Å; K250-D269 IonicContact NZ-OD2 2.9Å; K250-F272 HydrophobicContact CB-CD1 3.94Å; K250-F272 HydrophobicContact CB-CD2 4.34Å; K250-F272 HydrophobicContact CB-CE1 3.86Å; K250-F272 HydrophobicContact CB-CE2 4.27Å; K250-F272 HydrophobicContact CB-CG 4.18Å; K250-F272 HydrophobicContact CB-CZ 4.05Å; K250-F272 HydrophobicContact CG-CD1 4.45Å; K250-F272 HydrophobicContact CG-CD2 4.13Å; K250-F272 HydrophobicContact CG-CE2 4.33Å; K250-F272 HydrophobicContact CG-CG 4.2Å
251E90.3Very high82.5Confident132 Ų13279.2 Ų79.262%0.61742%0.423SS*.Hα-helixtrans-66.1-42.1-177.5-57.172.3-15400111.6T249 F253 V254 H255T249-E251 VanDerWaalsContact C-N 3.31Å; T249-E251 WeakPolarHBondContact CB-OE2 3.45Å; T249-E251 PolarHBondContact O-N 3.27Å; T249-E251 PolarHBondContact OG1-N 2.98Å; T249-E251 PolarHBondContact OG1-OE2 3.19Å; E251-F253 VanDerWaalsContact C-N 3.34Å; E251-V254 PolarHBondContact O-N 3.14Å; E251-H255 WeakPolarHBondContact O-CB 3.49Å; E251-H255 PolarHBondContact O-N 3.04Å
252E89.8Confident82.6Confident97 Ų9783.9 Ų83.945%0.45343%0.43SS..Hα-helixtrans-62.6-43.3175.5-68.2172.916400111.2V248 T249 H255 A256V248-E252 HydrophobicContact CG1-CB 3.93Å; T249-E252 PolarHBondContact N-OE2 3.03Å; T249-E252 PolarHBondContact O-N 3.4Å; T249-E252 WeakPolarHBondContact OG1-CG 3.24Å; T249-E252 PolarHBondContact OG1-N 3.47Å; E252-H255 PolarHBondContact O-N 2.95Å; E252-A256 PolarHBondContact O-N 3.46Å
253F91.4Very high83.8Confident0 Ų079.3 Ų79.30%040%0.397CS..Hα-helixtrans-65.3-45.7178.2-165.4-90.2000111.9I232 I235 L239 V248 T249 K250 E251 H255 A256 A257 I268 L271 F272 L284I232-F253 HydrophobicContact CB-CZ 4.4Å; I232-F253 HydrophobicContact CD1-CE1 3.69Å; I232-F253 HydrophobicContact CD1-CZ 3.64Å; I232-F253 HydrophobicContact CG2-CE2 4.47Å; I232-F253 HydrophobicContact CG2-CZ 3.89Å; I235-F253 HydrophobicContact CB-CE2 4.21Å; I235-F253 HydrophobicContact CB-CZ 4.11Å; I235-F253 HydrophobicContact CG2-CD2 4.26Å; I235-F253 HydrophobicContact CG2-CE1 4.42Å; I235-F253 HydrophobicContact CG2-CE2 3.73Å; I235-F253 HydrophobicContact CG2-CZ 3.81Å; L239-F253 HydrophobicContact CD1-CD2 4.36Å; V248-F253 HydrophobicContact CG1-CB 4.01Å; V248-F253 HydrophobicContact CG1-CD2 4.35Å; T249-F253 WeakPolarHBondContact O-CB 3.21Å; T249-F253 PolarHBondContact O-N 3.47Å; K250-F253 PolarHBondContact O-N 3.23Å; E251-F253 VanDerWaalsContact C-N 3.34Å; F253-H255 VanDerWaalsContact C-N 3.31Å; F253-H255 PolarHBondContact O-N 2.94Å; F253-A256 PolarHBondContact O-N 3.41Å; F253-A257 HydrophobicContact CE1-CB 4.43Å; F253-A257 WeakPolarHBondContact O-CB 2.98Å; F253-A257 PolarHBondContact O-N 3.42Å; F253-I268 HydrophobicContact CD1-CD1 4.2Å; F253-I268 HydrophobicContact CD1-CG1 4.17Å; F253-I268 HydrophobicContact CD1-CG2 3.9Å; F253-I268 HydrophobicContact CE1-CD1 4.46Å; F253-I268 HydrophobicContact CE1-CG1 4.2Å; F253-L271 HydrophobicContact CE1-CD2 4.3Å; F253-L271 HydrophobicContact CZ-CD2 4.33Å; F253-F272 HydrophobicContact CB-CE2 3.91Å; F253-F272 HydrophobicContact CB-CZ 4.01Å; F253-F272 HydrophobicContact CD1-CE2 4.29Å; F253-F272 HydrophobicContact CG-CE2 4.1Å; F253-L284 HydrophobicContact CD2-CD2 3.75Å; F253-L284 HydrophobicContact CE2-CD2 3.8Å; F253-L284 HydrophobicContact CG-CD2 4.44Å
254V91Very high84.9Confident38 Ų3876 Ų7623%0.2339%0.385CS..Hα-helixtrans-58-44.7174.8171.10000110.8K250 E251 A256 A257 N258 I268K250-V254 HydrophobicContact CG-CG2 4.46Å; K250-V254 VanDerWaalsContact O-CG2 3.24Å; K250-V254 WeakPolarHBondContact O-CG2 3.41Å; K250-V254 PolarHBondContact O-N 3.39Å; E251-V254 PolarHBondContact O-N 3.14Å; V254-A256 VanDerWaalsContact C-N 3.31Å; V254-A256 PolarHBondContact O-N 3.44Å; V254-A257 PolarHBondContact O-N 3.41Å; V254-N258 VanDerWaalsContact O-CG 3.24Å; V254-N258 PolarHBondContact O-N 3.26Å; V254-N258 PolarHBondContact O-ND2 2.85Å; V254-I268 HydrophobicContact CB-CD1 4.38Å; V254-I268 HydrophobicContact CG2-CB 4.46Å; V254-I268 HydrophobicContact CG2-CD1 3.79Å; V254-I268 HydrophobicContact CG2-CG2 3.86Å
255H89Confident86.1Confident128 Ų12873.4 Ų73.459%0.59338%0.383SS*.Hα-helixtrans-61.6-39.2178.9-174.777.3000112.5E251 E252 F253E251-H255 WeakPolarHBondContact O-CB 3.49Å; E251-H255 PolarHBondContact O-N 3.04Å; E252-H255 PolarHBondContact O-N 2.95Å; F253-H255 VanDerWaalsContact C-N 3.31Å; F253-H255 PolarHBondContact O-N 2.94Å
256A87.4Confident87.1Confident5 Ų568.8 Ų68.84%0.04136%0.362CS..Hα-helixtrans-71-42.617500000112.6I235 L239 E252 F253 V254 N258 K259 F260I235-A256 HydrophobicContact CG2-CB 3.78Å; L239-A256 HydrophobicContact CD1-CB 3.63Å; L239-A256 HydrophobicContact CD2-CB 3.86Å; L239-A256 HydrophobicContact CG-CB 3.78Å; E252-A256 PolarHBondContact O-N 3.46Å; F253-A256 PolarHBondContact O-N 3.41Å; V254-A256 VanDerWaalsContact C-N 3.31Å; V254-A256 PolarHBondContact O-N 3.44Å; A256-N258 VanDerWaalsContact C-N 3.27Å; A256-N258 PolarHBondContact O-N 2.98Å; A256-K259 WeakPolarHBondContact O-CB 3.3Å; A256-K259 PolarHBondContact O-N 3Å; A256-F260 WeakPolarHBondContact O-CD2 3.17Å
257A88.9Confident87.7Confident1 Ų167 Ų671%0.00835%0.351CS..Hα-helixtrans-62.8-32.3179.900000112.6I235 F253 V254 K259 F260 G261 I268I235-A257 HydrophobicContact CD1-CB 4.22Å; F253-A257 HydrophobicContact CE1-CB 4.43Å; F253-A257 WeakPolarHBondContact O-CB 2.98Å; F253-A257 PolarHBondContact O-N 3.42Å; V254-A257 PolarHBondContact O-N 3.41Å; A257-K259 PolarHBondContact O-N 3.32Å; A257-F260 PolarHBondContact O-N 3.47Å; A257-G261 PolarHBondContact O-N 2.88Å; A257-I268 HydrophobicContact CB-CD1 3.8Å
258N86.5Confident88Confident111 Ų11163.4 Ų63.459%0.59433%0.332SS*.THydrogen-bonded Turntrans-55.9-25.1175.2-76.8-20.7000113.7V254 A256 F260V254-N258 VanDerWaalsContact O-CG 3.24Å; V254-N258 PolarHBondContact O-N 3.26Å; V254-N258 PolarHBondContact O-ND2 2.85Å; A256-N258 VanDerWaalsContact C-N 3.27Å; A256-N258 PolarHBondContact O-N 2.98Å; N258-F260 VanDerWaalsContact C-N 3.25Å; N258-F260 PolarHBondContact O-N 3.12Å
259K84.4Confident88.1Confident167 Ų16766.2 Ų66.273%0.72635%0.347SS*.THydrogen-bonded Turntrans-71.9-20.5176.1-61.1-179.8-177.9175.60113.2A256 A257A256-K259 WeakPolarHBondContact O-CB 3.3Å; A256-K259 PolarHBondContact O-N 3Å; A257-K259 PolarHBondContact O-N 3.32Å
260F80.6Confident88.1Confident69 Ų6964.8 Ų64.830%0.30334%0.338SS..THydrogen-bonded Turntrans-98.2-20.8-177.4-64.5-92.6000112.5L231 I235 A256 A257 N258 Q262L231-F260 HydrophobicContact CD1-CD1 3.71Å; L231-F260 HydrophobicContact CD1-CE1 4.12Å; L231-F260 HydrophobicContact CD1-CG 4.32Å; I235-F260 HydrophobicContact CB-CE2 4.45Å; I235-F260 HydrophobicContact CD1-CB 4.48Å; I235-F260 HydrophobicContact CD1-CD2 3.88Å; I235-F260 HydrophobicContact CD1-CE2 4.34Å; I235-F260 HydrophobicContact CD1-CG 4.16Å; I235-F260 HydrophobicContact CG1-CD2 3.53Å; I235-F260 HydrophobicContact CG1-CE1 4.47Å; I235-F260 HydrophobicContact CG1-CE2 3.48Å; I235-F260 VanDerWaalsContact CG1-CE2 3.48Å; I235-F260 HydrophobicContact CG1-CG 4.09Å; I235-F260 HydrophobicContact CG1-CZ 3.97Å; A256-F260 WeakPolarHBondContact O-CD2 3.17Å; A257-F260 PolarHBondContact O-N 3.47Å; N258-F260 VanDerWaalsContact C-N 3.25Å; N258-F260 PolarHBondContact O-N 3.12Å; F260-Q262 PolarHBondContact O-N 2.84Å
261G76.4Confident88.1Confident67 Ų6761.5 Ų61.569%0.69132%0.324SS*.  trans67-13.7169.900000116.9A257A257-G261 PolarHBondContact O-N 2.88Å
262Q79.3Confident88.2Confident154 Ų15456.2 Ų56.272%0.7230%0.299SS*.  trans-92.8-14.7-175-68.4174.3-11.200113.9L231 F260L231-Q262 HydrophobicContact CD2-CB 4.41Å; F260-Q262 PolarHBondContact O-N 2.84Å
263I87.5Confident88.1Confident15 Ų1554.1 Ų54.18%0.07729%0.289CS..  trans-101.5125.5-175.2-55.9-169.5000109.7L231 I232 I235 E267 I268L231-I263 HydrophobicContact CD2-CD1 3.84Å; L231-I263 HydrophobicContact CD2-CG1 3.84Å; L231-I263 HydrophobicContact CG-CD1 4Å; I232-I263 HydrophobicContact CD1-CD1 3.52Å; I232-I263 HydrophobicContact CD1-CG2 4.29Å; I232-I263 HydrophobicContact CG1-CD1 4.19Å; I235-I263 HydrophobicContact CD1-CD1 3.29Å; I235-I263 HydrophobicContact CD1-CG1 4.4Å; I263-E267 WeakPolarHBondContact CA-OE2 3.44Å; I263-E267 HydrophobicContact CG2-CB 4.08Å; I263-E267 WeakPolarHBondContact CG2-OE2 3.31Å; I263-I268 HydrophobicContact CG2-CD1 4.06Å; I263-I268 HydrophobicContact CG2-CG1 3.71Å
264T90.7Very high88Confident59 Ų5954.1 Ų54.136%0.36229%0.289SS..  trans-83153.6-179.966.80000112.2M266 E267 I268T264-M266 PolarHBondContact O-N 3.15Å; T264-E267 WeakPolarHBondContact CB-OE1 3.33Å; T264-E267 VanDerWaalsContact CG2-OE1 3.32Å; T264-E267 WeakPolarHBondContact CG2-OE1 3.34Å; T264-E267 PolarHBondContact N-OE1 3.4Å; T264-E267 PolarHBondContact N-OE2 2.73Å; T264-E267 WeakPolarHBondContact O-CB 3.31Å; T264-E267 PolarHBondContact O-N 3.13Å; T264-E267 VanDerWaalsContact O-N 3.12Å; T264-E267 VanDerWaalsContact OG1-CD 3.22Å; T264-E267 WeakPolarHBondContact OG1-CG 2.95Å; T264-E267 PolarHBondContact OG1-N 3.4Å; T264-E267 PolarHBondContact OG1-OE1 2.97Å; T264-I268 PolarHBondContact O-N 2.9Å
265P90.6Very high87.8Confident89 Ų8952.4 Ų52.458%0.57828%0.279SS*.Hα-helixtrans-56.2-32.8172-26.935.6000113.1I268 D269P265-I268 PolarHBondContact O-N 3.11Å; P265-D269 WeakPolarHBondContact O-CB 3.48Å; P265-D269 PolarHBondContact O-N 3.06Å; P265-D269 VanDerWaalsContact O-OD1 3.12Å
266M89.7Confident87.6Confident81 Ų8147.6 Ų47.640%0.39926%0.263SS..Hα-helixtrans-64-41.3176.7-172.767.666.400112Y218 A221 T264 I268 D269 I270Y218-M266 HydrophobicContact CD2-SD 4.28Å; A221-M266 HydrophobicContact CB-CB 3.97Å; A221-M266 HydrophobicContact CB-CG 3.44Å; A221-M266 VanDerWaalsContact CB-CG 3.44Å; T264-M266 PolarHBondContact O-N 3.15Å; M266-I268 VanDerWaalsContact C-N 3.32Å; M266-I268 PolarHBondContact O-N 3.19Å; M266-D269 PolarHBondContact O-N 2.81Å; M266-I270 HydrophobicContact CG-CD1 4.18Å; M266-I270 VanDerWaalsContact O-CG1 3.23Å; M266-I270 WeakPolarHBondContact O-CG1 3.39Å; M266-I270 PolarHBondContact O-N 3.01Å
267E92.2Very high87.5Confident13 Ų1350.6 Ų50.66%0.06128%0.279CS..Hα-helixtrans-62-41.4174.8-73.1152.8-129.300111.6A221 A224 L225 I263 T264 I270 L271A221-E267 HydrophobicContact CB-CG 4.25Å; A221-E267 WeakPolarHBondContact O-CG 3.42Å; A224-E267 HydrophobicContact CB-CG 4.31Å; L225-E267 HydrophobicContact CB-CB 4.16Å; L225-E267 HydrophobicContact CB-CG 4.11Å; L225-E267 HydrophobicContact CD1-CB 4.29Å; I263-E267 WeakPolarHBondContact CA-OE2 3.44Å; I263-E267 HydrophobicContact CG2-CB 4.08Å; I263-E267 WeakPolarHBondContact CG2-OE2 3.31Å; T264-E267 WeakPolarHBondContact CB-OE1 3.33Å; T264-E267 VanDerWaalsContact CG2-OE1 3.32Å; T264-E267 WeakPolarHBondContact CG2-OE1 3.34Å; T264-E267 PolarHBondContact N-OE1 3.4Å; T264-E267 PolarHBondContact N-OE2 2.73Å; T264-E267 WeakPolarHBondContact O-CB 3.31Å; T264-E267 PolarHBondContact O-N 3.13Å; T264-E267 VanDerWaalsContact O-N 3.12Å; T264-E267 VanDerWaalsContact OG1-CD 3.22Å; T264-E267 WeakPolarHBondContact OG1-CG 2.95Å; T264-E267 PolarHBondContact OG1-N 3.4Å; T264-E267 PolarHBondContact OG1-OE1 2.97Å; E267-I270 PolarHBondContact O-N 3.49Å; E267-L271 PolarHBondContact O-N 3Å
268I91.8Very high87Confident3 Ų355.2 Ų55.22%0.01530%0.3CS..Hα-helixtrans-67.1-40.7177.8-58.8172.2000110.5K250 F253 V254 A257 I263 T264 P265 M266 I270 L271 F272K250-I268 HydrophobicContact CG-CG2 4.38Å; F253-I268 HydrophobicContact CD1-CD1 4.2Å; F253-I268 HydrophobicContact CD1-CG1 4.17Å; F253-I268 HydrophobicContact CD1-CG2 3.9Å; F253-I268 HydrophobicContact CE1-CD1 4.46Å; F253-I268 HydrophobicContact CE1-CG1 4.2Å; V254-I268 HydrophobicContact CB-CD1 4.38Å; V254-I268 HydrophobicContact CG2-CB 4.46Å; V254-I268 HydrophobicContact CG2-CD1 3.79Å; V254-I268 HydrophobicContact CG2-CG2 3.86Å; A257-I268 HydrophobicContact CB-CD1 3.8Å; I263-I268 HydrophobicContact CG2-CD1 4.06Å; I263-I268 HydrophobicContact CG2-CG1 3.71Å; T264-I268 PolarHBondContact O-N 2.9Å; P265-I268 PolarHBondContact O-N 3.11Å; M266-I268 VanDerWaalsContact C-N 3.32Å; M266-I268 PolarHBondContact O-N 3.19Å; I268-I270 VanDerWaalsContact C-N 3.34Å; I268-I270 PolarHBondContact O-N 2.65Å; I268-L271 WeakPolarHBondContact O-CB 3.49Å; I268-L271 PolarHBondContact O-N 3.38Å; I268-F272 HydrophobicContact CG2-CD2 3.8Å; I268-F272 HydrophobicContact CG2-CE2 3.94Å; I268-F272 WeakPolarHBondContact O-CD2 3.13Å; I268-F272 PolarHBondContact O-N 3.44Å
269D90.5Very high86.4Confident61 Ų6151.5 Ų51.533%0.32628%0.282SS..Hα-helixtrans-59.1-46.5175.8-72.42.8000111.1K250 P265 M266 F272 Q273K250-D269 WeakPolarHBondContact CE-OD1 3.36Å; K250-D269 VanDerWaalsContact NZ-CG 3.32Å; K250-D269 IonicContact NZ-OD1 2.68Å; K250-D269 PolarHBondContact NZ-OD1 3.27Å; K250-D269 IonicContact NZ-OD2 2.9Å; P265-D269 WeakPolarHBondContact O-CB 3.48Å; P265-D269 PolarHBondContact O-N 3.06Å; P265-D269 VanDerWaalsContact O-OD1 3.12Å; M266-D269 PolarHBondContact O-N 2.81Å; D269-F272 PolarHBondContact O-N 2.97Å; D269-Q273 VanDerWaalsContact O-CB 3.26Å; D269-Q273 WeakPolarHBondContact O-CB 3.39Å; D269-Q273 PolarHBondContact O-N 3.17Å
270I90.9Very high85.8Confident1 Ų152.4 Ų52.41%0.00529%0.289CS..Hα-helixtrans-61.7-43.9176.3-68168.2000110.9Y218 A221 F222 L225 M266 E267 I268 Q273 L274Y218-I270 HydrophobicContact CD2-CD1 4.01Å; Y218-I270 HydrophobicContact CD2-CG1 4.11Å; Y218-I270 HydrophobicContact CE1-CD1 4.42Å; Y218-I270 HydrophobicContact CE2-CD1 3.87Å; Y218-I270 HydrophobicContact CE2-CG1 3.53Å; Y218-I270 HydrophobicContact CG-CD1 4.36Å; A221-I270 HydrophobicContact CB-CD1 3.78Å; F222-I270 HydrophobicContact CB-CD1 4.11Å; F222-I270 HydrophobicContact CD2-CD1 4.48Å; F222-I270 HydrophobicContact CD2-CG2 3.42Å; F222-I270 VanDerWaalsContact CD2-CG2 3.42Å; F222-I270 HydrophobicContact CE2-CG2 3.84Å; F222-I270 HydrophobicContact CG-CG2 4.34Å; L225-I270 HydrophobicContact CD2-CB 4.02Å; L225-I270 HydrophobicContact CD2-CG2 3.58Å; M266-I270 HydrophobicContact CG-CD1 4.18Å; M266-I270 VanDerWaalsContact O-CG1 3.23Å; M266-I270 WeakPolarHBondContact O-CG1 3.39Å; M266-I270 PolarHBondContact O-N 3.01Å; E267-I270 PolarHBondContact O-N 3.49Å; I268-I270 VanDerWaalsContact C-N 3.34Å; I268-I270 PolarHBondContact O-N 2.65Å; I270-Q273 WeakPolarHBondContact O-CB 2.9Å; I270-Q273 PolarHBondContact O-N 3.16Å; I270-L274 HydrophobicContact CG2-CD1 4.16Å; I270-L274 WeakPolarHBondContact O-CG 3.16Å; I270-L274 PolarHBondContact O-N 3.24Å
271L91.6Very high85.4Confident0 Ų051.8 Ų51.80%029%0.293CS..Hα-helixtrans-58.1-52.2177.5177.664.7000111.1L225 M229 I232 F253 E267 I268 Q273 L274 V275 L284 V292L225-L271 HydrophobicContact CD1-CB 4.05Å; L225-L271 HydrophobicContact CD2-CB 3.96Å; M229-L271 HydrophobicContact CE-CD1 4.3Å; M229-L271 HydrophobicContact SD-CD1 4.43Å; I232-L271 HydrophobicContact CD1-CD2 4.17Å; I232-L271 HydrophobicContact CG2-CD2 3.67Å; F253-L271 HydrophobicContact CE1-CD2 4.3Å; F253-L271 HydrophobicContact CZ-CD2 4.33Å; E267-L271 PolarHBondContact O-N 3Å; I268-L271 WeakPolarHBondContact O-CB 3.49Å; I268-L271 PolarHBondContact O-N 3.38Å; L271-Q273 VanDerWaalsContact C-N 3.27Å; L271-Q273 PolarHBondContact O-N 2.96Å; L271-L274 PolarHBondContact O-N 2.82Å; L271-V275 WeakPolarHBondContact O-CG2 3.41Å; L271-V275 PolarHBondContact O-N 3.44Å; L271-L284 HydrophobicContact CD2-CD2 4.02Å; L271-V292 HydrophobicContact CD1-CG1 4.29Å
272F91.2Very high85.5Confident22 Ų2250.9 Ų50.910%0.09628%0.284CS..Hα-helixtrans-67.2-29.5179.8-85.9-96.8000112.4K250 F253 I268 D269 G276 L284K250-F272 HydrophobicContact CB-CD1 3.94Å; K250-F272 HydrophobicContact CB-CD2 4.34Å; K250-F272 HydrophobicContact CB-CE1 3.86Å; K250-F272 HydrophobicContact CB-CE2 4.27Å; K250-F272 HydrophobicContact CB-CG 4.18Å; K250-F272 HydrophobicContact CB-CZ 4.05Å; K250-F272 HydrophobicContact CG-CD1 4.45Å; K250-F272 HydrophobicContact CG-CD2 4.13Å; K250-F272 HydrophobicContact CG-CE2 4.33Å; K250-F272 HydrophobicContact CG-CG 4.2Å; F253-F272 HydrophobicContact CB-CE2 3.91Å; F253-F272 HydrophobicContact CB-CZ 4.01Å; F253-F272 HydrophobicContact CD1-CE2 4.29Å; F253-F272 HydrophobicContact CG-CE2 4.1Å; I268-F272 HydrophobicContact CG2-CD2 3.8Å; I268-F272 HydrophobicContact CG2-CE2 3.94Å; I268-F272 WeakPolarHBondContact O-CD2 3.13Å; I268-F272 PolarHBondContact O-N 3.44Å; D269-F272 PolarHBondContact O-N 2.97Å; F272-G276 PolarHBondContact O-N 3.47Å; F272-L284 HydrophobicContact CE1-CB 4.03Å; F272-L284 HydrophobicContact CE2-CB 4.49Å; F272-L284 HydrophobicContact CE2-CD2 4.4Å; F272-L284 HydrophobicContact CZ-CB 3.77Å; F272-L284 HydrophobicContact CZ-CD2 4.38Å
273Q89.4Confident85.8Confident52 Ų5249 Ų4924%0.24327%0.271CS..Hα-helixtrans-66-46.1172.3-171.8-177.3-19.400111.4A205 D269 I270 L271 V275 G276 L277A205-Q273 PolarHBondContact O-NE2 3.39Å; D269-Q273 VanDerWaalsContact O-CB 3.26Å; D269-Q273 WeakPolarHBondContact O-CB 3.39Å; D269-Q273 PolarHBondContact O-N 3.17Å; I270-Q273 WeakPolarHBondContact O-CB 2.9Å; I270-Q273 PolarHBondContact O-N 3.16Å; L271-Q273 VanDerWaalsContact C-N 3.27Å; L271-Q273 PolarHBondContact O-N 2.96Å; Q273-V275 PolarHBondContact O-N 3.11Å; Q273-G276 PolarHBondContact O-N 2.97Å; Q273-L277 WeakPolarHBondContact O-CG 3.32Å; Q273-L277 PolarHBondContact O-N 3.38Å
274L88.5Confident85.8Confident0 Ų048.3 Ų48.30%027%0.267CS..Hα-helixtrans-60.8-44175.5-73.1170.2000111.5F197 A205 F222 L225 I270 L271 G276 L277 V292F197-L274 WeakPolarHBondContact CZ-O 3.38Å; A205-L274 HydrophobicContact CB-CD2 3.77Å; F222-L274 HydrophobicContact CE2-CD1 4.09Å; F222-L274 HydrophobicContact CE2-CD2 4.35Å; F222-L274 HydrophobicContact CZ-CD1 4.39Å; L225-L274 HydrophobicContact CD2-CD1 4.42Å; I270-L274 HydrophobicContact CG2-CD1 4.16Å; I270-L274 WeakPolarHBondContact O-CG 3.16Å; I270-L274 PolarHBondContact O-N 3.24Å; L271-L274 PolarHBondContact O-N 2.82Å; L274-G276 VanDerWaalsContact C-N 3.33Å; L274-G276 PolarHBondContact O-N 3.02Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 2.66Å; L274-V292 HydrophobicContact CB-CG2 4.27Å; L274-V292 HydrophobicContact CD1-CG1 4.01Å
275V87.1Confident85.6Confident3 Ų347.1 Ų47.12%0.01826%0.258CS..Hα-helixtrans-64.4-38.6176175.40000111.9L271 Q273 L277 H278 S279 L284 D288L271-V275 WeakPolarHBondContact O-CG2 3.41Å; L271-V275 PolarHBondContact O-N 3.44Å; Q273-V275 PolarHBondContact O-N 3.11Å; V275-L277 PolarHBondContact O-N 2.93Å; V275-H278 PolarHBondContact O-N 2.88Å; V275-S279 PolarHBondContact O-N 3.25Å; V275-L284 HydrophobicContact CG2-CD1 3.6Å; V275-D288 HydrophobicContact CB-CB 4.43Å; V275-D288 HydrophobicContact CG1-CB 3.93Å; V275-D288 WeakPolarHBondContact CG1-OD2 3.45Å; V275-D288 HydrophobicContact CG2-CB 3.74Å
276G84.8Confident85.2Confident26 Ų2643.9 Ų43.927%0.26824%0.236SC..Hα-helixtrans-60.8-24177.400000114.3F272 Q273 L274 H278F272-G276 PolarHBondContact O-N 3.47Å; Q273-G276 PolarHBondContact O-N 2.97Å; L274-G276 VanDerWaalsContact C-N 3.33Å; L274-G276 PolarHBondContact O-N 3.02Å; G276-H278 VanDerWaalsContact C-N 3.31Å
277L84.1Confident84.8Confident69 Ų6941.8 Ų41.836%0.36123%0.231SC..Hα-helixtrans-71.7-25.6174.1-62.7175000112.6N201 Q273 L274 V275N201-L277 HydrophobicContact CB-CD1 3.75Å; Q273-L277 WeakPolarHBondContact O-CG 3.32Å; Q273-L277 PolarHBondContact O-N 3.38Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 2.66Å; V275-L277 PolarHBondContact O-N 2.93Å
278H79.6Confident84.5Confident97 Ų9741.3 Ų41.345%0.44923%0.23SC..Hα-helixtrans-95.3-44.9177-177.158.9000112.6F197 V275 G276 D288F197-H278 HydrophobicContact CE2-CB 3.91Å; F197-H278 HydrophobicContact CZ-CB 3.9Å; V275-H278 PolarHBondContact O-N 2.88Å; G276-H278 VanDerWaalsContact C-N 3.31Å; H278-D288 IonicContact CD2-OD1 3.94Å
279S73.2Confident84.1Confident33 Ų3341.2 Ų41.223%0.23123%0.229CC..  trans-129117.6-175.5-1790000110.6V275 S281V275-S279 PolarHBondContact O-N 3.25Å; S279-S281 PolarHBondContact O-N 3.48Å; S279-S281 WeakPolarHBondContact OG-CB 3.44Å; S279-S281 PolarHBondContact OG-N 2.75Å; S279-S281 PolarHBondContact OG-OG 3.43Å
280H71.4Confident83.7Confident186 Ų18642.6 Ų42.686%0.86123%0.234SC*.THydrogen-bonded Turntrans-69.35.2175.3-60.8-54000114.1G282H280-G282 PolarHBondContact O-N 2.78Å
281S73.2Confident83.3Confident56 Ų5646.9 Ų46.939%0.39225%0.25SC..THydrogen-bonded Turntrans-67.3-21.2-178.165.40000113.7S279 R283S279-S281 PolarHBondContact O-N 3.48Å; S279-S281 WeakPolarHBondContact OG-CB 3.44Å; S279-S281 PolarHBondContact OG-N 2.75Å; S279-S281 PolarHBondContact OG-OG 3.43Å; S281-R283 PolarHBondContact O-N 3.14Å; S281-R283 PolarHBondContact OG-N 2.73Å
282G78.3Confident82.9Confident49 Ų4946.9 Ų46.951%0.50525%0.25SC..  trans66.116.5-172.800000113.4H280H280-G282 PolarHBondContact O-N 2.78Å
283R86.1Confident82.3Confident115 Ų11545.9 Ų45.943%0.43425%0.245SC..EExtended strand (participates in β ladder)trans-122.5145.1-178.5-58.7-174.1-173-157-0.2110.8L247 V248 S281L247-R283 HydrophobicContact CB-CB 4Å; L247-R283 HydrophobicContact CB-CG 4.45Å; V248-R283 CarbonylContact O-C 3.49Å; V248-R283 WeakPolarHBondContact O-CA 3.47Å; S281-R283 PolarHBondContact O-N 3.14Å; S281-R283 PolarHBondContact OG-N 2.73Å
284L87Confident81.2Confident0 Ų044.1 Ų44.10%024%0.238CC..EExtended strand (participates in β ladder)trans-93132.8178.7-176.566.2000110.1Y236 V248 F253 L271 F272 V275 D288 I289Y236-L284 HydrophobicContact CD2-CD2 4.13Å; Y236-L284 HydrophobicContact CD2-CG 4.22Å; Y236-L284 HydrophobicContact CE2-CG 4.47Å; V248-L284 PolarHBondContact N-O 3.47Å; V248-L284 PolarHBondContact O-N 3.45Å; F253-L284 HydrophobicContact CD2-CD2 3.75Å; F253-L284 HydrophobicContact CE2-CD2 3.8Å; F253-L284 HydrophobicContact CG-CD2 4.44Å; L271-L284 HydrophobicContact CD2-CD2 4.02Å; F272-L284 HydrophobicContact CE1-CB 4.03Å; F272-L284 HydrophobicContact CE2-CB 4.49Å; F272-L284 HydrophobicContact CE2-CD2 4.4Å; F272-L284 HydrophobicContact CZ-CB 3.77Å; F272-L284 HydrophobicContact CZ-CD2 4.38Å; V275-L284 HydrophobicContact CG2-CD1 3.6Å; L284-D288 HydrophobicContact CD1-CB 4.16Å; L284-I289 HydrophobicContact CD1-CD1 4.46Å; L284-I289 HydrophobicContact CD1-CG1 3.8Å; L284-I289 HydrophobicContact CD2-CD1 4.02Å; L284-I289 HydrophobicContact CD2-CG1 4.18Å; L284-I289 HydrophobicContact CG-CD1 4.21Å; L284-I289 HydrophobicContact CG-CG1 4.08Å
285N86.4Confident79.5Confident33 Ų3348.3 Ų48.318%0.17626%0.26CS..  trans-124171.2169.168.147.9000111.1Y236 L247 A287 D288 I289Y236-N285 WeakPolarHBondContact OH-CA 3.12Å; L247-N285 HydrophobicContact CD2-CB 3.92Å; N285-A287 VanDerWaalsContact C-N 3.29Å; N285-A287 PolarHBondContact O-N 3.44Å; N285-A287 WeakPolarHBondContact OD1-CA 3.25Å; N285-A287 VanDerWaalsContact OD1-CB 3.31Å; N285-A287 WeakPolarHBondContact OD1-CB 3.18Å; N285-A287 PolarHBondContact OD1-N 2.97Å; N285-D288 PolarHBondContact ND2-OD2 3.29Å; N285-D288 PolarHBondContact O-N 2.95Å; N285-D288 PolarHBondContact OD1-N 2.92Å; N285-D288 PolarHBondContact OD1-OD2 3.29Å; N285-D288 VanDerWaalsContact OD1-OD2 3.11Å; N285-I289 PolarHBondContact O-N 2.69Å
286N82.5Confident77.7Confident21 Ų2151.8 Ų51.811%0.11228%0.276CS..Hα-helixtrans-63.5-34.4-179.5-173.950.8000112.8Y236 D288 I289 E290Y236-N286 HydrophobicContact CE1-CB 3.69Å; Y236-N286 VanDerWaalsContact CZ-N 3.3Å; Y236-N286 PolarHBondContact OH-N 2.52Å; N286-D288 VanDerWaalsContact C-N 3.29Å; N286-D288 PolarHBondContact O-N 3.49Å; N286-I289 PolarHBondContact O-N 3.45Å; N286-E290 PolarHBondContact ND2-OE1 2.91Å; N286-E290 WeakPolarHBondContact O-CG 3.3Å; N286-E290 PolarHBondContact O-N 3.41Å
287A81.2Confident75.5Confident37 Ų3753.9 Ų53.931%0.30628%0.279SS..Hα-helixtrans-66.9-33179.500000111.6N285 E290 R291N285-A287 VanDerWaalsContact C-N 3.29Å; N285-A287 PolarHBondContact O-N 3.44Å; N285-A287 WeakPolarHBondContact OD1-CA 3.25Å; N285-A287 VanDerWaalsContact OD1-CB 3.31Å; N285-A287 WeakPolarHBondContact OD1-CB 3.18Å; N285-A287 PolarHBondContact OD1-N 2.97Å; A287-E290 PolarHBondContact O-N 3.45Å; A287-R291 VanDerWaalsContact C-NH1 3.34Å; A287-R291 VanDerWaalsContact O-CG 3.27Å; A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 2.99Å; A287-R291 PolarHBondContact O-NH1 3.4Å
288D84.8Confident73.3Confident4 Ų451.5 Ų51.52%0.02127%0.271CS..Hα-helixtrans-71.2-38.9175.9-60.2-34.2000111.1V275 H278 L284 N285 N286 E290 R291 V292V275-D288 HydrophobicContact CB-CB 4.43Å; V275-D288 HydrophobicContact CG1-CB 3.93Å; V275-D288 WeakPolarHBondContact CG1-OD2 3.45Å; V275-D288 HydrophobicContact CG2-CB 3.74Å; H278-D288 IonicContact CD2-OD1 3.94Å; L284-D288 HydrophobicContact CD1-CB 4.16Å; N285-D288 PolarHBondContact ND2-OD2 3.29Å; N285-D288 PolarHBondContact O-N 2.95Å; N285-D288 PolarHBondContact OD1-N 2.92Å; N285-D288 PolarHBondContact OD1-OD2 3.29Å; N285-D288 VanDerWaalsContact OD1-OD2 3.11Å; N286-D288 VanDerWaalsContact C-N 3.29Å; N286-D288 PolarHBondContact O-N 3.49Å; D288-E290 VanDerWaalsContact C-N 3.34Å; D288-R291 PolarHBondContact O-N 2.88Å; D288-R291 IonicContact OD1-CZ 3.13Å; D288-R291 IonicContact OD1-NH1 3.23Å; D288-R291 PolarHBondContact OD1-NH1 2.7Å; D288-V292 WeakPolarHBondContact O-CG2 3.26Å; D288-V292 PolarHBondContact O-N 3.5Å
289I85.1Confident71.3Confident0 Ų049.6 Ų49.60%027%0.272CS..Hα-helixtrans-62.3-43.3171.5-61.7174.7000110.5M229 R233 Y236 L284 N285 N286 R291 V292 A293M229-I289 HydrophobicContact CE-CG2 4.02Å; R233-I289 HydrophobicContact CB-CG2 4.12Å; R233-I289 HydrophobicContact CG-CG2 4.4Å; Y236-I289 HydrophobicContact CD1-CD1 3.76Å; Y236-I289 HydrophobicContact CD2-CD1 3.63Å; Y236-I289 HydrophobicContact CE2-CD1 4.37Å; Y236-I289 HydrophobicContact CG-CD1 3.25Å; L284-I289 HydrophobicContact CD1-CD1 4.46Å; L284-I289 HydrophobicContact CD1-CG1 3.8Å; L284-I289 HydrophobicContact CD2-CD1 4.02Å; L284-I289 HydrophobicContact CD2-CG1 4.18Å; L284-I289 HydrophobicContact CG-CD1 4.21Å; L284-I289 HydrophobicContact CG-CG1 4.08Å; N285-I289 PolarHBondContact O-N 2.69Å; N286-I289 PolarHBondContact O-N 3.45Å; I289-R291 VanDerWaalsContact C-N 3.26Å; I289-R291 PolarHBondContact O-N 3.23Å; I289-V292 PolarHBondContact O-N 2.96Å; I289-A293 WeakPolarHBondContact O-CB 3.34Å; I289-A293 PolarHBondContact O-N 2.84Å
290E81.3Confident69.5Low91 Ų9151.1 Ų51.143%0.42528%0.277SS..Hα-helixtrans-65.1-27.3176.5-73.8176.8-171.300113.3N286 A287 D288N286-E290 PolarHBondContact ND2-OE1 2.91Å; N286-E290 WeakPolarHBondContact O-CG 3.3Å; N286-E290 PolarHBondContact O-N 3.41Å; A287-E290 PolarHBondContact O-N 3.45Å; D288-E290 VanDerWaalsContact C-N 3.34Å
291R82Confident67.9Low91 Ų9143.5 Ų43.534%0.34324%0.244SC..Hα-helixtrans-76.1-35.5173.9-73.9170.8-171108.65.9112.9T195 F197 A287 D288 I289T195-R291 VanDerWaalsContact CB-O 3.29Å; T195-R291 WeakPolarHBondContact CB-O 3.27Å; T195-R291 WeakPolarHBondContact CG2-O 3.33Å; T195-R291 PolarHBondContact OG1-O 3.08Å; F197-R291 HydrophobicContact CB-CB 4.37Å; F197-R291 HydrophobicContact CD1-CB 4.01Å; F197-R291 HydrophobicContact CG-CB 4.18Å; A287-R291 VanDerWaalsContact C-NH1 3.34Å; A287-R291 VanDerWaalsContact O-CG 3.27Å; A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 2.99Å; A287-R291 PolarHBondContact O-NH1 3.4Å; D288-R291 PolarHBondContact O-N 2.88Å; D288-R291 IonicContact OD1-CZ 3.13Å; D288-R291 IonicContact OD1-NH1 3.23Å; D288-R291 PolarHBondContact OD1-NH1 2.7Å; I289-R291 VanDerWaalsContact C-N 3.26Å; I289-R291 PolarHBondContact O-N 3.23Å
292V83.9Confident66.2Low0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-87.3-36.1-177.8177.90000111.6F197 V198 L226 M229 L271 L274 D288 I289 P294F197-V292 HydrophobicContact CD1-CG2 4.17Å; F197-V292 HydrophobicContact CE1-CG2 3.98Å; V198-V292 HydrophobicContact CG2-CB 4.36Å; V198-V292 HydrophobicContact CG2-CG1 4.08Å; V198-V292 HydrophobicContact CG2-CG2 4.49Å; L226-V292 HydrophobicContact CD2-CG1 4.47Å; M229-V292 HydrophobicContact CE-CB 3.91Å; M229-V292 HydrophobicContact CE-CG1 3.8Å; M229-V292 HydrophobicContact SD-CG1 3.93Å; L271-V292 HydrophobicContact CD1-CG1 4.29Å; L274-V292 HydrophobicContact CB-CG2 4.27Å; L274-V292 HydrophobicContact CD1-CG1 4.01Å; D288-V292 WeakPolarHBondContact O-CG2 3.26Å; D288-V292 PolarHBondContact O-N 3.5Å; I289-V292 PolarHBondContact O-N 2.96Å; V292-P294 VanDerWaalsContact O-CD 3.29Å; V292-P294 WeakPolarHBondContact O-CD 3.22Å
293A78.6Confident64.1Low0 Ų050.3 Ų50.30%025%0.252CS..SBendtrans-70.3117.5-176.400000109.9T195 M229 R233 I289 L295T195-A293 WeakPolarHBondContact CG2-O 3.48Å; M229-A293 HydrophobicContact CB-CB 3.88Å; M229-A293 HydrophobicContact CE-CB 3.78Å; M229-A293 HydrophobicContact CG-CB 4.32Å; R233-A293 VanDerWaalsContact NH2-CB 3.3Å; I289-A293 WeakPolarHBondContact O-CB 3.34Å; I289-A293 PolarHBondContact O-N 2.84Å; A293-L295 PolarHBondContact O-N 3.38Å
294P65.9Low61.7Low16 Ų1646.6 Ų46.610%0.10424%0.24CC..  trans-57.9126.6166.324.2-29.2000107.3M193 V292 E296M193-P294 HydrophobicContact CE-CG 3.99Å; M193-P294 WeakPolarHBondContact O-CB 3.14Å; M193-P294 WeakPolarHBondContact O-CG 3.28Å; V292-P294 VanDerWaalsContact O-CD 3.29Å; V292-P294 WeakPolarHBondContact O-CD 3.22Å; P294-E296 VanDerWaalsContact C-N 3.33Å; P294-E296 PolarHBondContact O-N 2.77Å
295L53.8Low59.3Low88 Ų8847.6 Ų47.646%0.46125%0.249SC..  trans-63.696.5177.3-75.2140.3000107.8A293 E297A293-L295 PolarHBondContact O-N 3.38Å; L295-E297 HydrophobicContact CB-CB 4.43Å; L295-E297 HydrophobicContact CB-CG 4.32Å; L295-E297 VanDerWaalsContact CD2-CD 3.49Å; L295-E297 HydrophobicContact CD2-CG 4Å; L295-E297 PolarHBondContact O-N 3.09Å
296E49.3Very low56.9Low75 Ų7549.1 Ų49.135%0.3526%0.255SS..  trans-69.440.4163.2-71.2-157.5164.900110.7P294 G298 A299 K655P294-E296 VanDerWaalsContact C-N 3.33Å; P294-E296 PolarHBondContact O-N 2.77Å; E296-G298 PolarHBondContact O-N 3.49Å; E296-A299 PolarHBondContact O-N 3.04Å; E296-K655 IonicContact OE2-NZ 3.04Å
297E38.5Very low54.6Low71 Ų7149.5 Ų49.533%0.33226%0.258SS..THydrogen-bonded Turntrans-73.333.5171.3-78.7179.2160.600111.5L295L295-E297 HydrophobicContact CB-CB 4.43Å; L295-E297 HydrophobicContact CB-CG 4.32Å; L295-E297 VanDerWaalsContact CD2-CD 3.49Å; L295-E297 HydrophobicContact CD2-CG 4Å; L295-E297 PolarHBondContact O-N 3.09Å
298G37.6Very low52.3Low19 Ų1952.7 Ų52.720%0.19627%0.266CS..THydrogen-bonded Turntrans-107.9-11.716600000113.1E296E296-G298 PolarHBondContact O-N 3.49Å
299A37.2Very low49.9Very low57 Ų5758.9 Ų58.947%0.47129%0.29SS..SBendtrans-95.7-14.1178.700000113.8L90 E296L90-A299 HydrophobicContact CD1-CB 4.19Å; E296-A299 PolarHBondContact O-N 3.04Å
300M34.9Very low47.5Very low65 Ų6563.2 Ų63.232%0.3231%0.31SS..SBendtrans-133.5121176.3-75.3-75.8-91.500108.2Y302 L304 Q308M300-Y302 PolarHBondContact O-N 3.43Å; M300-L304 HydrophobicContact CE-CB 3.73Å; M300-L304 HydrophobicContact CE-CD2 3.85Å; M300-L304 HydrophobicContact CE-CG 4.32Å; M300-L304 HydrophobicContact SD-CB 4.1Å; M300-L304 HydrophobicContact SD-CD1 4.46Å; M300-L304 HydrophobicContact SD-CD2 4.47Å; M300-Q308 VanDerWaalsContact CE-CD 3.43Å; M300-Q308 HydrophobicContact CE-CG 4.3Å; M300-Q308 VanDerWaalsContact CE-OE1 3.31Å
301P37.6Very low45.1Very low26 Ų2663.4 Ų63.417%0.16931%0.31CS..  trans-53.5142.217418.8-28.5000109.1H303 L304 A305 L644P301-H303 CarbonylContact O-C 3.46Å; P301-H303 PolarHBondContact O-N 3.49Å; P301-L304 HydrophobicContact CG-CB 3.93Å; P301-L304 HydrophobicContact CG-CD1 3.58Å; P301-L304 HydrophobicContact CG-CG 4.27Å; P301-L304 WeakPolarHBondContact O-CA 3.3Å; P301-L304 PolarHBondContact O-N 2.95Å; P301-A305 PolarHBondContact O-N 3.32Å; P301-A305 VanDerWaalsContact O-N 3.14Å; P301-L644 HydrophobicContact CB-CD2 3.32Å; P301-L644 HydrophobicContact CG-CD2 3.36Å
302Y38.1Very low42.7Very low105 Ų10562.6 Ų62.641%0.41232%0.323SS..Hα-helixtrans-40.2-37173.1-166-94.3000111.9M300 E306M300-Y302 PolarHBondContact O-N 3.43Å; Y302-E306 HydrophobicContact CD1-CG 4.4Å; Y302-E306 VanDerWaalsContact CE1-CD 3.42Å; Y302-E306 HydrophobicContact CE1-CG 4.26Å; Y302-E306 WeakPolarHBondContact CE1-OE1 3.33Å; Y302-E306 WeakPolarHBondContact O-CB 3.45Å; Y302-E306 WeakPolarHBondContact O-CG 3.38Å; Y302-E306 PolarHBondContact O-N 3.25Å
303H34Very low40.7Very low143 Ų14366.7 Ų66.766%0.66234%0.342SS*.Hα-helixtrans-64.2-42.7174.3-135.2-78.5000114.6P301 T307P301-H303 CarbonylContact O-C 3.46Å; P301-H303 PolarHBondContact O-N 3.49Å; H303-T307 VanDerWaalsContact O-CB 3.25Å; H303-T307 WeakPolarHBondContact O-CB 3.49Å; H303-T307 PolarHBondContact O-N 3.07Å; H303-T307 PolarHBondContact O-OG1 2.76Å
304L36.8Very low38.5Very low36 Ų3673.4 Ų73.419%0.18837%0.374CS..Hα-helixtrans-75.5-31.4177.8-99.6143.9000112.6M300 P301 T307 Q308M300-L304 HydrophobicContact CE-CB 3.73Å; M300-L304 HydrophobicContact CE-CD2 3.85Å; M300-L304 HydrophobicContact CE-CG 4.32Å; M300-L304 HydrophobicContact SD-CB 4.1Å; M300-L304 HydrophobicContact SD-CD1 4.46Å; M300-L304 HydrophobicContact SD-CD2 4.47Å; P301-L304 HydrophobicContact CG-CB 3.93Å; P301-L304 HydrophobicContact CG-CD1 3.58Å; P301-L304 HydrophobicContact CG-CG 4.27Å; P301-L304 WeakPolarHBondContact O-CA 3.3Å; P301-L304 PolarHBondContact O-N 2.95Å; L304-T307 PolarHBondContact O-N 3.37Å; L304-Q308 VanDerWaalsContact O-CB 3.23Å; L304-Q308 WeakPolarHBondContact O-CB 3.27Å; L304-Q308 WeakPolarHBondContact O-CG 3.48Å; L304-Q308 PolarHBondContact O-N 3.41Å
305A36.1Very low37.2Very low21 Ų2177.8 Ų77.817%0.17440%0.4CS..Hα-helixtrans-69.3-38.7172.300000111.2P301 R309P301-A305 PolarHBondContact O-N 3.32Å; P301-A305 VanDerWaalsContact O-N 3.14Å; A305-R309 VanDerWaalsContact O-CB 3.29Å; A305-R309 WeakPolarHBondContact O-CB 3.45Å; A305-R309 VanDerWaalsContact O-CG 3.3Å; A305-R309 WeakPolarHBondContact O-CG 3.24Å; A305-R309 PolarHBondContact O-N 2.97Å
306E35.8Very low36.8Very low66 Ų6678.6 Ų78.631%0.30841%0.413SS..Hα-helixtrans-67.8-41.2169.3-75.9-173.6157.900112Y302 R309 Q310Y302-E306 HydrophobicContact CD1-CG 4.4Å; Y302-E306 VanDerWaalsContact CE1-CD 3.42Å; Y302-E306 HydrophobicContact CE1-CG 4.26Å; Y302-E306 WeakPolarHBondContact CE1-OE1 3.33Å; Y302-E306 WeakPolarHBondContact O-CB 3.45Å; Y302-E306 WeakPolarHBondContact O-CG 3.38Å; Y302-E306 PolarHBondContact O-N 3.25Å; E306-R309 CarbonylContact O-C 3.51Å; E306-R309 PolarHBondContact O-N 3.41Å; E306-Q310 VanDerWaalsContact O-CB 3.26Å; E306-Q310 WeakPolarHBondContact O-CB 3.16Å; E306-Q310 WeakPolarHBondContact O-CG 3.48Å; E306-Q310 PolarHBondContact O-N 3.48Å
307T34.3Very low37.1Very low29 Ų2978.6 Ų78.618%0.17841%0.41CS..Hα-helixtrans-69-35178.4-47.60000111.2H303 L304 Q310 H311H303-T307 VanDerWaalsContact O-CB 3.25Å; H303-T307 WeakPolarHBondContact O-CB 3.49Å; H303-T307 PolarHBondContact O-N 3.07Å; H303-T307 PolarHBondContact O-OG1 2.76Å; L304-T307 PolarHBondContact O-N 3.37Å; T307-Q310 PolarHBondContact O-N 3.19Å; T307-H311 VanDerWaalsContact O-CB 3.29Å; T307-H311 WeakPolarHBondContact O-CB 3.06Å; T307-H311 PolarHBondContact O-CD2 3.28Å; T307-H311 PolarHBondContact O-N 3.44Å
308Q32.3Very low38.3Very low103 Ų10378 Ų7848%0.48141%0.413SS..Hα-helixtrans-71.7-37.4170.7-81.7-174.5-22.400112.1M300 L304 Q310 A312M300-Q308 VanDerWaalsContact CE-CD 3.43Å; M300-Q308 HydrophobicContact CE-CG 4.3Å; M300-Q308 VanDerWaalsContact CE-OE1 3.31Å; L304-Q308 VanDerWaalsContact O-CB 3.23Å; L304-Q308 WeakPolarHBondContact O-CB 3.27Å; L304-Q308 WeakPolarHBondContact O-CG 3.48Å; L304-Q308 PolarHBondContact O-N 3.41Å; Q308-Q310 VanDerWaalsContact C-N 3.33Å; Q308-A312 WeakPolarHBondContact O-CB 3.34Å; Q308-A312 PolarHBondContact O-N 3.46Å
309R35.6Very low39.5Very low135 Ų13582.7 Ų82.751%0.50944%0.437SS..Hα-helixtrans-64.4-39170.7-81.7176.8177.2154.22.2111.1A305 E306 H313A305-R309 VanDerWaalsContact O-CB 3.29Å; A305-R309 WeakPolarHBondContact O-CB 3.45Å; A305-R309 VanDerWaalsContact O-CG 3.3Å; A305-R309 WeakPolarHBondContact O-CG 3.24Å; A305-R309 PolarHBondContact O-N 2.97Å; E306-R309 CarbonylContact O-C 3.51Å; E306-R309 PolarHBondContact O-N 3.41Å; R309-H313 WeakPolarHBondContact O-CB 3.44Å; R309-H313 PolarHBondContact O-CD2 3.49Å; R309-H313 PolarHBondContact O-N 2.87Å
310Q33Very low41Very low90 Ų9088.5 Ų88.542%0.42145%0.447SS..Hα-helixtrans-69.8-44.7176.7-75.2173.60.800111.7E306 T307 Q308 H313 E314E306-Q310 VanDerWaalsContact O-CB 3.26Å; E306-Q310 WeakPolarHBondContact O-CB 3.16Å; E306-Q310 WeakPolarHBondContact O-CG 3.48Å; E306-Q310 PolarHBondContact O-N 3.48Å; T307-Q310 PolarHBondContact O-N 3.19Å; Q308-Q310 VanDerWaalsContact C-N 3.33Å; Q310-H313 CarbonylContact O-C 3.53Å; Q310-H313 WeakPolarHBondContact O-CA 3.29Å; Q310-H313 WeakPolarHBondContact O-CB 3.49Å; Q310-H313 PolarHBondContact O-N 2.7Å; Q310-H313 VanDerWaalsContact O-N 3.11Å; Q310-E314 PolarHBondContact O-N 2.96Å; Q310-E314 VanDerWaalsContact O-N 3.17Å
311H31.3Very low42.4Very low95 Ų9587.6 Ų87.644%0.4444%0.443SS..Hα-helixtrans-72.6-33.3177-78.4-45.2000113.5T307 H313 E314T307-H311 VanDerWaalsContact O-CB 3.29Å; T307-H311 WeakPolarHBondContact O-CB 3.06Å; T307-H311 PolarHBondContact O-CD2 3.28Å; T307-H311 PolarHBondContact O-N 3.44Å; H311-H313 PolarHBondContact O-N 2.72Å; H311-E314 IonicContact CE1-OE2 3Å; H311-E314 PolarHBondContact CE1-OE2 3.32Å; H311-E314 IonicContact CG-OE2 3.55Å; H311-E314 IonicContact ND1-OE2 2.83Å; H311-E314 PolarHBondContact ND1-OE2 3.29Å; H311-E314 PolarHBondContact O-N 3.45Å; H311-E314 VanDerWaalsContact O-N 3.1Å
312A32.8Very low43.5Very low74 Ų7490.7 Ų90.761%0.61246%0.455SS*.Hα-helixtrans-61.3-28.5168.700000111.3Q308 T315Q308-A312 WeakPolarHBondContact O-CB 3.34Å; Q308-A312 PolarHBondContact O-N 3.46Å; A312-T315 PolarHBondContact O-OG1 3.36Å
313H40.1Very low44.8Very low87 Ų8788.4 Ų88.440%0.40346%0.458SS..THydrogen-bonded Turntrans-83.4-9.4174.9-90.1-61.3000115.1R309 Q310 H311 G613R309-H313 WeakPolarHBondContact O-CB 3.44Å; R309-H313 PolarHBondContact O-CD2 3.49Å; R309-H313 PolarHBondContact O-N 2.87Å; Q310-H313 CarbonylContact O-C 3.53Å; Q310-H313 WeakPolarHBondContact O-CA 3.29Å; Q310-H313 WeakPolarHBondContact O-CB 3.49Å; Q310-H313 PolarHBondContact O-N 2.7Å; Q310-H313 VanDerWaalsContact O-N 3.11Å; H311-H313 PolarHBondContact O-N 2.72Å; H313-G613 PolarHBondContact CE1-O 2.92Å; H313-G613 PolarHBondContact ND1-O 3.31Å
314E33.9Very low46.5Very low140 Ų14083.2 Ų83.265%0.65444%0.44SS*.THydrogen-bonded Turntrans-85.1-7.5177.4-84-172.3148.100114Q310 H311 S316Q310-E314 PolarHBondContact O-N 2.96Å; Q310-E314 VanDerWaalsContact O-N 3.17Å; H311-E314 IonicContact CE1-OE2 3Å; H311-E314 PolarHBondContact CE1-OE2 3.32Å; H311-E314 IonicContact CG-OE2 3.55Å; H311-E314 IonicContact ND1-OE2 2.83Å; H311-E314 PolarHBondContact ND1-OE2 3.29Å; H311-E314 PolarHBondContact O-N 3.45Å; H311-E314 VanDerWaalsContact O-N 3.1Å; E314-S316 PolarHBondContact O-N 2.99Å
315T37.3Very low47.8Very low109 Ų10982.7 Ų82.767%0.66944%0.436SS*.SBendtrans-7489.5173.7-14.80000110.6A312 R317A312-T315 PolarHBondContact O-OG1 3.36Å; T315-R317 PolarHBondContact O-N 2.79Å
316S46.1Very low49.1Very low105 Ų10584.8 Ų84.873%0.73445%0.45SS*.  trans39.475.6163.461.80000115.8E314E314-S316 PolarHBondContact O-N 2.99Å
317R54.9Low50.8Low75 Ų7584 Ų8428%0.28346%0.455SS..  trans-59.9131168.6-70.1-177.2-178.9144.24110T315 V319 Q322 G613T315-R317 PolarHBondContact O-N 2.79Å; R317-V319 PolarHBondContact O-N 3.44Å; R317-Q322 HydrophobicContact CB-CG 4.34Å; R317-G613 PolarHBondContact NE-O 3.14Å; R317-G613 PolarHBondContact NH2-O 3.42Å
318P64Low52.7Low59 Ų5984.8 Ų84.838%0.38346%0.455SS..  trans-61.6136.3175.1-20.430.8000111.3W320 L321 Q322P318-W320 HydrophobicContact CB-CG 4.16Å; P318-W320 PolarHBondContact O-N 2.88Å; P318-W320 VanDerWaalsContact O-N 3.12Å; P318-L321 WeakPolarHBondContact O-CB 3.48Å; P318-L321 PolarHBondContact O-N 3.3Å; P318-Q322 PolarHBondContact O-N 3.06Å
319V62.9Low54.3Low117 Ų11782.8 Ų82.871%0.70944%0.443SS*.Hα-helixtrans-54.7-33.4179.5177.40000112.2R317 L321 Q322 A323R317-V319 PolarHBondContact O-N 3.44Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 3.02Å; V319-Q322 PolarHBondContact O-N 3.33Å; V319-A323 WeakPolarHBondContact O-CB 3.4Å; V319-A323 PolarHBondContact O-N 3.29Å
320W68.2Low56Low179 Ų17980.1 Ų80.168%0.67844%0.435SS*.Hα-helixtrans-66.9-33.1177.772.1-97.3000112.9P318 A323 A324P318-W320 HydrophobicContact CB-CG 4.16Å; P318-W320 PolarHBondContact O-N 2.88Å; P318-W320 VanDerWaalsContact O-N 3.12Å; W320-A323 PolarHBondContact O-N 3.22Å; W320-A324 WeakPolarHBondContact O-CB 3.26Å; W320-A324 PolarHBondContact O-N 2.86Å
321L66.1Low58Low45 Ų4579.3 Ų79.324%0.23644%0.437CS..Hα-helixtrans-72.4-40.3178.6-164.378.8000110.4P318 V319 A323 A324 E325 F612P318-L321 WeakPolarHBondContact O-CB 3.48Å; P318-L321 PolarHBondContact O-N 3.3Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 3.02Å; L321-A323 VanDerWaalsContact C-N 3.32Å; L321-A323 PolarHBondContact O-N 3.14Å; L321-A324 PolarHBondContact O-N 3.25Å; L321-E325 WeakPolarHBondContact O-CB 3.33Å; L321-E325 PolarHBondContact O-N 2.81Å; L321-F612 HydrophobicContact CD1-CD1 4.42Å
322Q60.4Low60.1Low92 Ų9275.2 Ų75.243%0.4342%0.418SS..Hα-helixtrans-63.4-39.5172.4-65.1179.1-6.200111.7R317 P318 V319 S326R317-Q322 HydrophobicContact CB-CG 4.34Å; P318-Q322 PolarHBondContact O-N 3.06Å; V319-Q322 PolarHBondContact O-N 3.33Å; Q322-S326 WeakPolarHBondContact O-CB 3.47Å; Q322-S326 PolarHBondContact O-N 3.27Å; Q322-S326 PolarHBondContact O-OG 2.64Å
323A65.2Low62Low56 Ų5672.3 Ų72.346%0.46340%0.395SS..Hα-helixtrans-67-40.7175.300000112V319 W320 L321 S326 A327V319-A323 WeakPolarHBondContact O-CB 3.4Å; V319-A323 PolarHBondContact O-N 3.29Å; W320-A323 PolarHBondContact O-N 3.22Å; L321-A323 VanDerWaalsContact C-N 3.32Å; L321-A323 PolarHBondContact O-N 3.14Å; A323-S326 PolarHBondContact O-N 3.02Å; A323-A327 VanDerWaalsContact O-CB 3.3Å; A323-A327 WeakPolarHBondContact O-CB 3.38Å; A323-A327 PolarHBondContact O-N 3.37Å
324A69Low63.6Low34 Ų3469 Ų6928%0.28138%0.381SS..Hα-helixtrans-65.5-43.3176.300000112W320 L321 A327 Y328 F612W320-A324 WeakPolarHBondContact O-CB 3.26Å; W320-A324 PolarHBondContact O-N 2.86Å; L321-A324 PolarHBondContact O-N 3.25Å; A324-A327 PolarHBondContact O-N 2.9Å; A324-Y328 WeakPolarHBondContact O-CB 3.44Å; A324-Y328 PolarHBondContact O-N 2.81Å; A324-F612 HydrophobicContact CB-CE1 4.46Å
325E64.9Low65.9Low25 Ų2566 Ų6612%0.11737%0.369CS..Hα-helixtrans-60.5-46.4174.5177.6172.2-152.400111.4L321 A327 Y328 R329 F612L321-E325 WeakPolarHBondContact O-CB 3.33Å; L321-E325 PolarHBondContact O-N 2.81Å; E325-A327 VanDerWaalsContact C-N 3.33Å; E325-A327 PolarHBondContact O-N 3.49Å; E325-Y328 PolarHBondContact O-N 2.97Å; E325-R329 WeakPolarHBondContact O-CB 3.23Å; E325-R329 VanDerWaalsContact O-CG 3.3Å; E325-R329 WeakPolarHBondContact O-CG 3.3Å; E325-R329 PolarHBondContact O-N 2.77Å; E325-R329 IonicContact OE1-CZ 3.51Å; E325-R329 VanDerWaalsContact OE1-CZ 3.28Å; E325-R329 IonicContact OE1-NE 3.95Å; E325-R329 PolarHBondContact OE1-NE 2.95Å; E325-R329 IonicContact OE1-NH2 3.95Å; E325-R329 PolarHBondContact OE1-NH2 2.9Å; E325-F612 HydrophobicContact CB-CB 4.06Å; E325-F612 HydrophobicContact CB-CD2 4.46Å; E325-F612 HydrophobicContact CB-CG 4.18Å; E325-F612 HydrophobicContact CG-CB 4.2Å
326S64Low67.8Low66 Ų6660.8 Ų60.846%0.46234%0.337SS..Hα-helixtrans-61.3-42.1175.8-61.40000111.4Q322 A323 F330Q322-S326 WeakPolarHBondContact O-CB 3.47Å; Q322-S326 PolarHBondContact O-N 3.27Å; Q322-S326 PolarHBondContact O-OG 2.64Å; A323-S326 PolarHBondContact O-N 3.02Å; S326-F330 WeakPolarHBondContact O-CB 3.37Å; S326-F330 PolarHBondContact O-N 2.86Å
327A70.6Confident69.1Low50 Ų5056 Ų5641%0.41330%0.304SS..Hα-helixtrans-66.5-39.3177.500000112.7A323 A324 E325 F330 T331A323-A327 VanDerWaalsContact O-CB 3.3Å; A323-A327 WeakPolarHBondContact O-CB 3.38Å; A323-A327 PolarHBondContact O-N 3.37Å; A324-A327 PolarHBondContact O-N 2.9Å; E325-A327 VanDerWaalsContact C-N 3.33Å; E325-A327 PolarHBondContact O-N 3.49Å; A327-F330 WeakPolarHBondContact O-CB 3.29Å; A327-F330 PolarHBondContact O-N 2.89Å; A327-T331 WeakPolarHBondContact O-CB 3.01Å; A327-T331 PolarHBondContact O-N 3Å; A327-T331 PolarHBondContact O-OG1 2.9Å
328Y74Confident70.4Confident45 Ų4553.7 Ų53.718%0.17630%0.301CS..Hα-helixtrans-64.4-51.2175.3166.8-99.7000111.3A324 E325 F330 T331 L332 F608 I610 F612A324-Y328 WeakPolarHBondContact O-CB 3.44Å; A324-Y328 PolarHBondContact O-N 2.81Å; E325-Y328 PolarHBondContact O-N 2.97Å; Y328-F330 VanDerWaalsContact C-N 3.26Å; Y328-F330 PolarHBondContact O-N 3.25Å; Y328-T331 PolarHBondContact O-N 3.48Å; Y328-T331 VanDerWaalsContact O-N 3.13Å; Y328-L332 HydrophobicContact CD1-CD1 4.34Å; Y328-L332 HydrophobicContact CD2-CD1 4.46Å; Y328-L332 HydrophobicContact CE1-CD1 3.65Å; Y328-L332 HydrophobicContact CE2-CD1 3.78Å; Y328-L332 HydrophobicContact CE2-CG 4.19Å; Y328-L332 PolarHBondContact O-N 3.29Å; Y328-L332 VanDerWaalsContact OH-CD1 3.3Å; Y328-L332 WeakPolarHBondContact OH-CD1 3.28Å; Y328-F608 PolarHBondContact OH-O 3.29Å; Y328-I610 HydrophobicContact CD2-CD1 4.15Å; Y328-I610 HydrophobicContact CE2-CB 4.47Å; Y328-I610 HydrophobicContact CE2-CD1 3.95Å; Y328-I610 HydrophobicContact CE2-CG1 4.31Å; Y328-F612 HydrophobicContact CD1-CD2 4.17Å; Y328-F612 AromaticContact CD1-CE2 3.66Å; Y328-F612 HydrophobicContact CD1-CE2 3.66Å; Y328-F612 HydrophobicContact CD2-CE2 4.13Å; Y328-F612 HydrophobicContact CE1-CE2 4.25Å; Y328-F612 HydrophobicContact CG-CD2 4.5Å; Y328-F612 AromaticContact CG-CE2 3.59Å; Y328-F612 HydrophobicContact CG-CE2 3.59Å; Y328-F612 HydrophobicContact CG-CZ 4.27Å
329R66.1Low71.3Confident61 Ų6153.6 Ų53.623%0.2330%0.3CS..Hα-helixtrans-58.7-41.1175.7-69.8173.3-177.5-154.9-1.5111.5E325 G333 H615E325-R329 WeakPolarHBondContact O-CB 3.23Å; E325-R329 VanDerWaalsContact O-CG 3.3Å; E325-R329 WeakPolarHBondContact O-CG 3.3Å; E325-R329 PolarHBondContact O-N 2.77Å; E325-R329 IonicContact OE1-CZ 3.51Å; E325-R329 VanDerWaalsContact OE1-CZ 3.28Å; E325-R329 IonicContact OE1-NE 3.95Å; E325-R329 PolarHBondContact OE1-NE 2.95Å; E325-R329 IonicContact OE1-NH2 3.95Å; E325-R329 PolarHBondContact OE1-NH2 2.9Å; R329-G333 PolarHBondContact O-N 3.17Å; R329-H615 PolarHBondContact NH2-O 2.68Å
330F71.6Confident72.1Confident79 Ų7948 Ų4835%0.34627%0.266SS..Hα-helixtrans-61.9-43.4176.3174.8-109.5000112.3S326 A327 Y328 G333 S334 A400 A404S326-F330 WeakPolarHBondContact O-CB 3.37Å; S326-F330 PolarHBondContact O-N 2.86Å; A327-F330 WeakPolarHBondContact O-CB 3.29Å; A327-F330 PolarHBondContact O-N 2.89Å; Y328-F330 VanDerWaalsContact C-N 3.26Å; Y328-F330 PolarHBondContact O-N 3.25Å; F330-G333 PolarHBondContact O-N 2.89Å; F330-S334 WeakPolarHBondContact CE2-OG 3.5Å; F330-S334 WeakPolarHBondContact CZ-OG 3.38Å; F330-S334 VanDerWaalsContact O-CB 3.23Å; F330-S334 WeakPolarHBondContact O-CB 3.43Å; F330-S334 PolarHBondContact O-N 3.39Å; F330-S334 PolarHBondContact O-OG 3.23Å; F330-A400 HydrophobicContact CE2-CB 4.42Å; F330-A400 WeakPolarHBondContact CE2-O 3.38Å; F330-A400 HydrophobicContact CZ-CB 3.88Å; F330-A404 HydrophobicContact CD2-CB 3.39Å; F330-A404 HydrophobicContact CE2-CB 3.03Å; F330-A404 HydrophobicContact CG-CB 4.5Å; F330-A404 HydrophobicContact CZ-CB 3.9Å
331T75.7Confident72.5Confident73 Ų7339.6 Ų39.645%0.44823%0.234SC..Hα-helixtrans-66.2-47-179.7-57.10000110.6A327 Y328 G333 S334 I335A327-T331 WeakPolarHBondContact O-CB 3.01Å; A327-T331 PolarHBondContact O-N 3Å; A327-T331 PolarHBondContact O-OG1 2.9Å; Y328-T331 PolarHBondContact O-N 3.48Å; Y328-T331 VanDerWaalsContact O-N 3.13Å; T331-G333 PolarHBondContact O-N 3.25Å; T331-S334 PolarHBondContact O-N 3.32Å; T331-I335 HydrophobicContact CG2-CD1 4.03Å; T331-I335 VanDerWaalsContact O-CG1 3.31Å; T331-I335 WeakPolarHBondContact O-CG1 3.41Å; T331-I335 PolarHBondContact O-N 3.24Å
332L75.1Confident73.4Confident9 Ų939.5 Ų39.55%0.04724%0.235CC..Hα-helixtrans-63.5-42.9176.2-64.1179.9000112.3Y328 S334 I335 A336 Y601 L604 Q605Y328-L332 HydrophobicContact CD1-CD1 4.34Å; Y328-L332 HydrophobicContact CD2-CD1 4.46Å; Y328-L332 HydrophobicContact CE1-CD1 3.65Å; Y328-L332 HydrophobicContact CE2-CD1 3.78Å; Y328-L332 HydrophobicContact CE2-CG 4.19Å; Y328-L332 PolarHBondContact O-N 3.29Å; Y328-L332 VanDerWaalsContact OH-CD1 3.3Å; Y328-L332 WeakPolarHBondContact OH-CD1 3.28Å; L332-S334 VanDerWaalsContact C-N 3.3Å; L332-S334 PolarHBondContact O-N 3.11Å; L332-I335 PolarHBondContact O-N 3.33Å; L332-A336 VanDerWaalsContact O-CB 3.27Å; L332-A336 WeakPolarHBondContact O-CB 3.3Å; L332-A336 PolarHBondContact O-N 2.88Å; L332-Y601 HydrophobicContact CB-CD2 4.41Å; L332-Y601 HydrophobicContact CB-CE2 4.16Å; L332-L604 HydrophobicContact CD2-CB 3.87Å; L332-Q605 HydrophobicContact CD1-CG 4.08Å
333G71.2Confident74.5Confident12 Ų1237.6 Ų37.612%0.12424%0.235CC..Hα-helixtrans-62.1-37.7175.500000112.5R329 F330 T331 G337R329-G333 PolarHBondContact O-N 3.17Å; F330-G333 PolarHBondContact O-N 2.89Å; T331-G333 PolarHBondContact O-N 3.25Å; G333-G337 PolarHBondContact O-N 3.04Å
334S75.1Confident75.1Confident18 Ų1835 Ų3513%0.12621%0.214CC..Hα-helixtrans-69.1-43.5177.4-64.60000112.1F330 T331 L332 G337 A338 A400F330-S334 WeakPolarHBondContact CE2-OG 3.5Å; F330-S334 WeakPolarHBondContact CZ-OG 3.38Å; F330-S334 VanDerWaalsContact O-CB 3.23Å; F330-S334 WeakPolarHBondContact O-CB 3.43Å; F330-S334 PolarHBondContact O-N 3.39Å; F330-S334 PolarHBondContact O-OG 3.23Å; T331-S334 PolarHBondContact O-N 3.32Å; L332-S334 VanDerWaalsContact C-N 3.3Å; L332-S334 PolarHBondContact O-N 3.11Å; S334-G337 PolarHBondContact O-N 3.33Å; S334-A338 VanDerWaalsContact O-CB 3.26Å; S334-A338 WeakPolarHBondContact O-CB 3.47Å; S334-A338 PolarHBondContact O-N 3.29Å; S334-A400 WeakPolarHBondContact OG-CB 3.35Å
335I81.5Confident75.6Confident77 Ų7734 Ų3440%0.39520%0.203SC..Hα-helixtrans-65.2-46.5176.1-64.1166000110T331 L332 G337 A338 T339 L604T331-I335 HydrophobicContact CG2-CD1 4.03Å; T331-I335 VanDerWaalsContact O-CG1 3.31Å; T331-I335 WeakPolarHBondContact O-CG1 3.41Å; T331-I335 PolarHBondContact O-N 3.24Å; L332-I335 PolarHBondContact O-N 3.33Å; I335-G337 VanDerWaalsContact C-N 3.34Å; I335-G337 PolarHBondContact O-N 3.22Å; I335-A338 WeakPolarHBondContact O-CB 3.18Å; I335-A338 PolarHBondContact O-N 2.85Å; I335-T339 PolarHBondContact O-N 2.98Å; I335-T339 PolarHBondContact O-OG1 3.48Å; I335-L604 HydrophobicContact CB-CD1 3.9Å; I335-L604 HydrophobicContact CG2-CD1 3.67Å
336A76.4Confident76.4Confident0 Ų034.2 Ų34.20%021%0.207CC..Hα-helixtrans-59.4-44.7176.500000112.2L332 T339 G340 T597 T600 Y601 L604L332-A336 VanDerWaalsContact O-CB 3.27Å; L332-A336 WeakPolarHBondContact O-CB 3.3Å; L332-A336 PolarHBondContact O-N 2.88Å; A336-T339 PolarHBondContact O-N 2.83Å; A336-G340 PolarHBondContact O-N 3.11Å; A336-T597 HydrophobicContact CB-CG2 4.28Å; A336-T600 HydrophobicContact CB-CG2 4.2Å; A336-Y601 HydrophobicContact CB-CD2 4.1Å; A336-Y601 HydrophobicContact CB-CG 4.41Å; A336-L604 HydrophobicContact CB-CD1 4.35Å
337G74.5Confident77.1Confident4 Ų434 Ų344%0.04120%0.2CC..Hα-helixtrans-64.6-38.2176.400000113.1G333 S334 I335 A341G333-G337 PolarHBondContact O-N 3.04Å; S334-G337 PolarHBondContact O-N 3.33Å; I335-G337 VanDerWaalsContact C-N 3.34Å; I335-G337 PolarHBondContact O-N 3.22Å; G337-A341 VanDerWaalsContact O-CB 3.28Å; G337-A341 WeakPolarHBondContact O-CB 3.1Å; G337-A341 PolarHBondContact O-N 3.06Å
338A81.1Confident77.1Confident26 Ų2632.8 Ų32.822%0.21519%0.186CC..Hα-helixtrans-64.4-44.3174.900000111.8S334 I335 A341 T342 L396S334-A338 VanDerWaalsContact O-CB 3.26Å; S334-A338 WeakPolarHBondContact O-CB 3.47Å; S334-A338 PolarHBondContact O-N 3.29Å; I335-A338 WeakPolarHBondContact O-CB 3.18Å; I335-A338 PolarHBondContact O-N 2.85Å; A338-A341 PolarHBondContact O-N 3.15Å; A338-T342 WeakPolarHBondContact O-CB 3.05Å; A338-T342 PolarHBondContact O-N 3.19Å; A338-T342 PolarHBondContact O-OG1 3.2Å; A338-L396 HydrophobicContact CB-CD2 3.7Å
339T83.8Confident77.1Confident58 Ų5831 Ų3136%0.35618%0.18SC..Hα-helixtrans-63.4-45.5176.5-56.60000111.3I335 A336 T342 A343 V596 T600I335-T339 PolarHBondContact O-N 2.98Å; I335-T339 PolarHBondContact O-OG1 3.48Å; A336-T339 PolarHBondContact O-N 2.83Å; T339-T342 PolarHBondContact O-N 2.86Å; T339-A343 PolarHBondContact O-N 3.07Å; T339-V596 HydrophobicContact CG2-CG1 4.24Å; T339-T600 HydrophobicContact CG2-CG2 4.11Å
340G79.6Confident77.5Confident0 Ų028.9 Ų28.90%017%0.174CC..Hα-helixtrans-62.9-43175.700000113.2A336 T342 A343 V344A336-G340 PolarHBondContact O-N 3.11Å; G340-T342 VanDerWaalsContact C-N 3.33Å; G340-T342 PolarHBondContact O-N 3.22Å; G340-A343 PolarHBondContact O-N 2.92Å; G340-V344 PolarHBondContact O-N 2.84Å
341A77.4Confident77.4Confident1 Ų127.1 Ų27.11%0.00817%0.166CC..Hα-helixtrans-62.7-40.2175.600000111.9G337 A338 Y345 L396 V399G337-A341 VanDerWaalsContact O-CB 3.28Å; G337-A341 WeakPolarHBondContact O-CB 3.1Å; G337-A341 PolarHBondContact O-N 3.06Å; A338-A341 PolarHBondContact O-N 3.15Å; A341-Y345 WeakPolarHBondContact O-CB 3.42Å; A341-Y345 PolarHBondContact O-N 3.01Å; A341-L396 HydrophobicContact CB-CD2 4.38Å; A341-V399 HydrophobicContact CB-CG2 4.41Å
342T83.9Confident76.9Confident43 Ų4326.5 Ų26.526%0.26416%0.162SC..Hα-helixtrans-64.9-45.2178.4-57.10000111.3A338 T339 G340 V344 Y345 Y389 L392A338-T342 WeakPolarHBondContact O-CB 3.05Å; A338-T342 PolarHBondContact O-N 3.19Å; A338-T342 PolarHBondContact O-OG1 3.2Å; T339-T342 PolarHBondContact O-N 2.86Å; G340-T342 VanDerWaalsContact C-N 3.33Å; G340-T342 PolarHBondContact O-N 3.22Å; T342-V344 PolarHBondContact O-N 3.38Å; T342-Y345 WeakPolarHBondContact O-CB 3.43Å; T342-Y345 PolarHBondContact O-N 3.41Å; T342-Y389 HydrophobicContact CG2-CD1 4.5Å; T342-Y389 HydrophobicContact CG2-CE1 4.06Å; T342-Y389 WeakPolarHBondContact O-CE1 3.49Å; T342-L392 HydrophobicContact CG2-CD2 3.92Å
343A83Confident76.6Confident52 Ų5228.1 Ų28.143%0.4317%0.167SC..Hα-helixtrans-59.5-31.7-178.600000113.6T339 G340 V596T339-A343 PolarHBondContact O-N 3.07Å; G340-A343 PolarHBondContact O-N 2.92Å; A343-V596 HydrophobicContact CB-CB 4.41Å; A343-V596 HydrophobicContact CB-CG1 3.99Å; A343-V596 HydrophobicContact CB-CG2 4.2Å
344V79.4Confident76.3Confident2 Ų229.8 Ų29.81%0.01217%0.173CC..Hα-helixtrans-106.4-0.6-176-164.60000112.5G340 T342 P346 I347 D348 R589 P592 Q593G340-V344 PolarHBondContact O-N 2.84Å; T342-V344 PolarHBondContact O-N 3.38Å; V344-P346 VanDerWaalsContact C-CD 3.45Å; V344-I347 HydrophobicContact CG1-CB 4.09Å; V344-I347 HydrophobicContact CG1-CD1 4.05Å; V344-I347 PolarHBondContact O-N 3.13Å; V344-I347 VanDerWaalsContact O-N 3.12Å; V344-D348 PolarHBondContact O-N 2.99Å; V344-D348 VanDerWaalsContact O-N 3.12Å; V344-R589 HydrophobicContact CG1-CB 4.37Å; V344-R589 HydrophobicContact CG1-CG 3.52Å; V344-R589 WeakPolarHBondContact CG1-O 3.31Å; V344-R589 PolarHBondContact O-NH1 3.36Å; V344-P592 HydrophobicContact CG2-CB 3.97Å; V344-Q593 HydrophobicContact CB-CB 4.26Å; V344-Q593 HydrophobicContact CG2-CB 3.73Å; V344-Q593 HydrophobicContact CG2-CG 4.4Å
345Y79.7Confident75.4Confident12 Ų1233.7 Ų33.75%0.04719%0.189CC..Hα-helixtrans-56.8-38.9-179.1-165.5-95.7000113.9A341 T342 I347 D348 L349 F388 Y389 R390 G391 L392 Q395A341-Y345 WeakPolarHBondContact O-CB 3.42Å; A341-Y345 PolarHBondContact O-N 3.01Å; T342-Y345 WeakPolarHBondContact O-CB 3.43Å; T342-Y345 PolarHBondContact O-N 3.41Å; Y345-I347 VanDerWaalsContact C-N 3.31Å; Y345-I347 PolarHBondContact O-N 3.41Å; Y345-D348 WeakPolarHBondContact O-CA 3.43Å; Y345-D348 VanDerWaalsContact O-CB 3.22Å; Y345-D348 WeakPolarHBondContact O-CB 3.41Å; Y345-D348 PolarHBondContact O-N 2.78Å; Y345-D348 VanDerWaalsContact O-N 3.08Å; Y345-L349 HydrophobicContact CE1-CD1 4.22Å; Y345-L349 PolarHBondContact O-N 3.07Å; Y345-F388 WeakPolarHBondContact CD1-O 3.33Å; Y345-F388 WeakPolarHBondContact CE1-O 3.21Å; Y345-Y389 HydrophobicContact CD1-CD1 4.01Å; Y345-Y389 HydrophobicContact CG-CD1 4.5Å; Y345-R390 PolarHBondContact OH-O 3.19Å; Y345-G391 VanDerWaalsContact OH-CA 3.22Å; Y345-G391 WeakPolarHBondContact OH-CA 3.06Å; Y345-G391 PolarHBondContact OH-O 2.88Å; Y345-L392 HydrophobicContact CD1-CB 4.31Å; Y345-L392 HydrophobicContact CD1-CD1 4.41Å; Y345-L392 HydrophobicContact CD2-CB 4.38Å; Y345-L392 HydrophobicContact CD2-CD1 3.58Å; Y345-L392 HydrophobicContact CE1-CB 4.21Å; Y345-L392 HydrophobicContact CE2-CB 4.26Å; Y345-L392 HydrophobicContact CE2-CD1 4.16Å; Y345-L392 HydrophobicContact CG-CB 4.41Å; Y345-L392 HydrophobicContact CG-CD1 3.74Å; Y345-L392 PolarHBondContact OH-N 3.14Å; Y345-Q395 HydrophobicContact CD2-CG 4.46Å; Y345-Q395 HydrophobicContact CE2-CB 4.2Å; Y345-Q395 HydrophobicContact CE2-CG 4.46Å
346P80.8Confident74.3Confident31 Ų3131.9 Ų31.920%0.20118%0.18CC..Hα-helixtrans-59.4-38.7175.4-26.336.1000113.8V344 D348 V350 F388 Y389V344-P346 VanDerWaalsContact C-CD 3.45Å; P346-D348 VanDerWaalsContact C-N 3.32Å; P346-V350 WeakPolarHBondContact O-CG2 3.06Å; P346-V350 PolarHBondContact O-N 2.8Å; P346-F388 HydrophobicContact CB-CB 4.08Å; P346-F388 HydrophobicContact CB-CD1 3.93Å; P346-F388 HydrophobicContact CB-CG 4.21Å; P346-F388 HydrophobicContact CG-CB 4.2Å; P346-Y389 HydrophobicContact CG-CE1 4.03Å; P346-Y389 HydrophobicContact CG-CE2 4.36Å
347I78.3Confident73.2Confident62 Ų6234 Ų3432%0.31819%0.19SC..Hα-helixtrans-68.2-37.6176.8-64.6167.6000110V344 Y345 K351 F588 R589V344-I347 HydrophobicContact CG1-CB 4.09Å; V344-I347 HydrophobicContact CG1-CD1 4.05Å; V344-I347 PolarHBondContact O-N 3.13Å; V344-I347 VanDerWaalsContact O-N 3.12Å; Y345-I347 VanDerWaalsContact C-N 3.31Å; Y345-I347 PolarHBondContact O-N 3.41Å; I347-K351 VanDerWaalsContact O-CB 3.32Å; I347-K351 WeakPolarHBondContact O-CB 3.14Å; I347-K351 PolarHBondContact O-N 3.42Å; I347-F588 HydrophobicContact CD1-CE1 4.38Å; I347-R589 HydrophobicContact CG2-CB 4.19Å; I347-R589 HydrophobicContact CG2-CG 4.32Å
348D71.9Confident72Confident23 Ų2338 Ų3812%0.12320%0.203CC..Hα-helixtrans-63.9-44.8176.7-119.812000112.9V344 Y345 P346 K351 T352 R589V344-D348 PolarHBondContact O-N 2.99Å; V344-D348 VanDerWaalsContact O-N 3.12Å; Y345-D348 WeakPolarHBondContact O-CA 3.43Å; Y345-D348 VanDerWaalsContact O-CB 3.22Å; Y345-D348 WeakPolarHBondContact O-CB 3.41Å; Y345-D348 PolarHBondContact O-N 2.78Å; Y345-D348 VanDerWaalsContact O-N 3.08Å; P346-D348 VanDerWaalsContact C-N 3.32Å; D348-K351 PolarHBondContact O-N 2.62Å; D348-T352 WeakPolarHBondContact O-CB 3.45Å; D348-T352 VanDerWaalsContact O-CG2 3.32Å; D348-T352 WeakPolarHBondContact O-CG2 3.28Å; D348-T352 PolarHBondContact O-N 3.17Å; D348-T352 PolarHBondContact O-OG1 3.1Å; D348-R589 VanDerWaalsContact CG-NH2 3.34Å; D348-R589 WeakPolarHBondContact OD1-CD 3.34Å; D348-R589 IonicContact OD1-CZ 3.91Å; D348-R589 IonicContact OD1-NE 3.74Å; D348-R589 PolarHBondContact OD1-NE 3.43Å; D348-R589 IonicContact OD1-NH1 2.9Å; D348-R589 PolarHBondContact OD1-NH1 2.98Å; D348-R589 IonicContact OD1-NH2 2.69Å; D348-R589 IonicContact OD2-CZ 3.77Å; D348-R589 IonicContact OD2-NE 3.79Å; D348-R589 IonicContact OD2-NH1 2.77Å; D348-R589 PolarHBondContact OD2-NH1 3.24Å; D348-R589 IonicContact OD2-NH2 2.88Å; D348-R589 PolarHBondContact OD2-NH2 2.89Å
349L73.6Confident70.3Confident9 Ų941.8 Ų41.85%0.04723%0.229CC..Hα-helixtrans-64.3-42.4179.1-176.7136.1000111.3Y345 T352 R353 V379 F388Y345-L349 HydrophobicContact CE1-CD1 4.22Å; Y345-L349 PolarHBondContact O-N 3.07Å; L349-T352 WeakPolarHBondContact CA-OG1 3.48Å; L349-T352 PolarHBondContact O-OG1 3.45Å; L349-R353 WeakPolarHBondContact O-CG 3.49Å; L349-R353 PolarHBondContact O-N 3.2Å; L349-R353 VanDerWaalsContact O-N 3.13Å; L349-V379 HydrophobicContact CD2-CG1 4.01Å; L349-V379 HydrophobicContact CD2-CG2 3.96Å; L349-F388 HydrophobicContact CD2-CD1 4.35Å
350V73Confident68.4Low16 Ų1645.7 Ų45.710%0.09725%0.253CS..Hα-helixtrans-65.5-43.9175.8173.20000110.9P346 M354 S372 C375 A376 F388P346-V350 WeakPolarHBondContact O-CG2 3.06Å; P346-V350 PolarHBondContact O-N 2.8Å; V350-M354 HydrophobicContact CG1-CG 4.4Å; V350-M354 VanDerWaalsContact O-CB 3.32Å; V350-M354 WeakPolarHBondContact O-CB 3.2Å; V350-M354 VanDerWaalsContact O-CG 3.27Å; V350-M354 WeakPolarHBondContact O-CG 3.46Å; V350-M354 PolarHBondContact O-N 2.93Å; V350-S372 WeakPolarHBondContact CG1-O 3.34Å; V350-C375 HydrophobicContact CG1-CB 4.14Å; V350-A376 HydrophobicContact CG2-CB 3.93Å; V350-F388 HydrophobicContact CG2-CE1 4.1Å
351K70.1Confident66.7Low42 Ų4249 Ų4918%0.18329%0.287CS..Hα-helixtrans-61.2-48.2177.7178.7-176.5173.8-177.20111.7I347 D348 M354 Q355 A585I347-K351 VanDerWaalsContact O-CB 3.32Å; I347-K351 WeakPolarHBondContact O-CB 3.14Å; I347-K351 PolarHBondContact O-N 3.42Å; D348-K351 PolarHBondContact O-N 2.62Å; K351-M354 PolarHBondContact O-N 3.32Å; K351-Q355 HydrophobicContact CG-CG 4.3Å; K351-Q355 WeakPolarHBondContact O-CB 3.26Å; K351-Q355 VanDerWaalsContact O-CG 3.27Å; K351-Q355 WeakPolarHBondContact O-CG 3.16Å; K351-Q355 PolarHBondContact O-N 3.49Å; K351-A585 HydrophobicContact CD-CB 4.21Å; K351-A585 HydrophobicContact CG-CB 4.46Å
352T65.5Low64.8Low60 Ų6052.5 Ų52.537%0.36831%0.311SS..Hα-helixtrans-63.2-44.1-177.745.50000111.6D348 L349 Q355 N356D348-T352 WeakPolarHBondContact O-CB 3.45Å; D348-T352 VanDerWaalsContact O-CG2 3.32Å; D348-T352 WeakPolarHBondContact O-CG2 3.28Å; D348-T352 PolarHBondContact O-N 3.17Å; D348-T352 PolarHBondContact O-OG1 3.1Å; L349-T352 WeakPolarHBondContact CA-OG1 3.48Å; L349-T352 PolarHBondContact O-OG1 3.45Å; T352-Q355 PolarHBondContact O-N 3.49Å; T352-N356 WeakPolarHBondContact O-CB 3.44Å; T352-N356 PolarHBondContact O-N 2.91Å
353R69.3Low63Low42 Ų4261.2 Ų61.216%0.15835%0.346CS..Hα-helixtrans-63.6-42.6174.3-70.4-177.2-175.5-156.38.1113L349 Q355 N356 Q357 Y369 E383L349-R353 WeakPolarHBondContact O-CG 3.49Å; L349-R353 PolarHBondContact O-N 3.2Å; L349-R353 VanDerWaalsContact O-N 3.13Å; R353-Q355 VanDerWaalsContact C-N 3.33Å; R353-Q355 PolarHBondContact O-N 2.99Å; R353-N356 PolarHBondContact O-N 2.69Å; R353-Q357 PolarHBondContact O-N 3.34Å; R353-Q357 VanDerWaalsContact O-N 3.13Å; R353-Y369 HydrophobicContact CB-CE2 4.21Å; R353-E383 IonicContact CZ-OE1 3.54Å; R353-E383 VanDerWaalsContact CZ-OE1 3.23Å; R353-E383 IonicContact CZ-OE2 3.33Å; R353-E383 IonicContact NH1-OE1 3.74Å; R353-E383 PolarHBondContact NH1-OE1 3.45Å; R353-E383 IonicContact NH1-OE2 3.74Å; R353-E383 IonicContact NH2-OE1 3.25Å; R353-E383 PolarHBondContact NH2-OE1 2.89Å; R353-E383 IonicContact NH2-OE2 3.09Å; R353-E383 PolarHBondContact NH2-OE2 2.85Å
354M65.4Low61.3Low48 Ų4863.6 Ų63.624%0.23636%0.355CS..Hα-helixtrans-63.7-37.5175.2-78.2-59.8-3700112.5V350 K351 Y369 C375V350-M354 HydrophobicContact CG1-CG 4.4Å; V350-M354 VanDerWaalsContact O-CB 3.32Å; V350-M354 WeakPolarHBondContact O-CB 3.2Å; V350-M354 VanDerWaalsContact O-CG 3.27Å; V350-M354 WeakPolarHBondContact O-CG 3.46Å; V350-M354 PolarHBondContact O-N 2.93Å; K351-M354 PolarHBondContact O-N 3.32Å; M354-Y369 HydrophobicContact SD-CG 4.45Å; M354-C375 HydrophobicContact CG-CB 4.21Å; M354-C375 HydrophobicContact SD-CB 3.97Å
355Q54.9Low59.8Low100 Ų10067.5 Ų67.547%0.46740%0.396SS..Hα-helixtrans-73.1-27.9177.4-76.1-177.1-26.700113K351 T352 R353K351-Q355 HydrophobicContact CG-CG 4.3Å; K351-Q355 WeakPolarHBondContact O-CB 3.26Å; K351-Q355 VanDerWaalsContact O-CG 3.27Å; K351-Q355 WeakPolarHBondContact O-CG 3.16Å; K351-Q355 PolarHBondContact O-N 3.49Å; T352-Q355 PolarHBondContact O-N 3.49Å; R353-Q355 VanDerWaalsContact C-N 3.33Å; R353-Q355 PolarHBondContact O-N 2.99Å
356N58.4Low58.4Low39 Ų3973.8 Ų73.821%0.20943%0.426CS..Hα-helixtrans-86.8-16-179.8-1538.6000113.4T352 R353 R358 E459T352-N356 WeakPolarHBondContact O-CB 3.44Å; T352-N356 PolarHBondContact O-N 2.91Å; R353-N356 PolarHBondContact O-N 2.69Å; N356-R358 PolarHBondContact O-N 3.43Å; N356-E459 WeakPolarHBondContact CB-OE1 3.4Å; N356-E459 PolarHBondContact ND2-OE1 3.3Å; N356-E459 PolarHBondContact ND2-OE2 3.08Å
357Q53.2Low57.3Low43 Ų4376.4 Ų76.420%0.20144%0.437CS..  trans-66.8117.1172.9-173.6174.6-6600111.1R353 Y369R353-Q357 PolarHBondContact O-N 3.34Å; R353-Q357 VanDerWaalsContact O-N 3.13Å; Q357-Y369 PolarHBondContact NE2-O 2.98Å; Q357-Y369 VanDerWaalsContact OE1-CB 3.24Å
358R49.5Very low56.4Low88 Ų8879.8 Ų79.833%0.33245%0.453SS..  trans-106.4131.7177-66.7176.3179.7177.9-9.5110.2N356 T360N356-R358 PolarHBondContact O-N 3.43Å; R358-T360 PolarHBondContact O-N 3.27Å; R358-T360 VanDerWaalsContact O-N 3.07Å
359S45.9Very low56Low106 Ų10679.8 Ų79.874%0.74145%0.452SS*.THydrogen-bonded Turntrans-65-7.1179.7-540000114.9
360T43.7Very low55.6Low141 Ų14186.7 Ų86.787%0.86548%0.481SS*.THydrogen-bonded Turntrans-116.921.7-162.6-21.20000114.8R358R358-T360 PolarHBondContact O-N 3.27Å; R358-T360 VanDerWaalsContact O-N 3.07Å
361G43.7Very low55.5Low69 Ų6991.4 Ų91.471%0.71151%0.506SS*.  trans-141.710.4-173.400000116.8
362S38.6Very low55.5Low75 Ų7592.9 Ų92.952%0.52452%0.522SS..  trans-95.2117.1174.8-1560000108.5V364S362-V364 WeakPolarHBondContact CB-O 3.49Å; S362-V364 CarbonylContact O-C 3.55Å; S362-V364 PolarHBondContact O-N 3.37Å; S362-V364 PolarHBondContact OG-O 3.38Å
363F45Very low56Low225 Ų22597.7 Ų97.799%0.98754%0.538SS*.SBendtrans-58.4-8.6173.1-115.4-94.8000112.7
364V47.1Very low56.4Low102 Ų10297.5 Ų97.562%0.61854%0.54SS*.SBendtrans-128.4115.2170.7-176.50000105.1S362 E366S362-V364 WeakPolarHBondContact CB-O 3.49Å; S362-V364 CarbonylContact O-C 3.55Å; S362-V364 PolarHBondContact O-N 3.37Å; S362-V364 PolarHBondContact OG-O 3.38Å; V364-E366 PolarHBondContact O-N 2.96Å
365G47.7Very low56.9Low85 Ų8595.2 Ų95.288%0.87653%0.529SS*.SBendtrans-60.627.7-169.500000118.2
366E51.8Low58Low144 Ų14491.8 Ų91.867%0.67352%0.518SS*.  trans-95.6127.7173.5-69.7-164.3137.800112V364 M368V364-E366 PolarHBondContact O-N 2.96Å; E366-M368 PolarHBondContact O-N 3.42Å
367L56.7Low59.1Low86 Ų8696.1 Ų96.145%0.4553%0.534SS..  trans-64.2127.1168.8-71.3165.1000109.9Y369L367-Y369 PolarHBondContact O-N 3.46Å
368M58.8Low60.4Low133 Ų13397 Ų9766%0.65554%0.537SS*.SBendtrans-56.8-33.7-178-167.1178177.400113E366 K378E366-M368 PolarHBondContact O-N 3.42Å; M368-K378 PolarHBondContact O-NZ 3.06Å
369Y64.6Low61.8Low23 Ų2392.8 Ų92.89%0.0952%0.522CS..  trans-130.8128.8174-53.8-64.5000109.8R353 M354 Q357 L367 C375 K378R353-Y369 HydrophobicContact CB-CE2 4.21Å; M354-Y369 HydrophobicContact SD-CG 4.45Å; Q357-Y369 PolarHBondContact NE2-O 2.98Å; Q357-Y369 VanDerWaalsContact OE1-CB 3.24Å; L367-Y369 PolarHBondContact O-N 3.46Å; Y369-C375 VanDerWaalsContact CD1-CA 3.43Å; Y369-C375 HydrophobicContact CD1-CB 3.71Å; Y369-C375 HydrophobicContact CD2-CB 4.3Å; Y369-C375 HydrophobicContact CE1-CB 4.26Å; Y369-C375 HydrophobicContact CG-CB 3.73Å; Y369-K378 HydrophobicContact CD1-CB 4.46Å; Y369-K378 HydrophobicContact CD1-CD 3.72Å; Y369-K378 HydrophobicContact CE1-CB 4.04Å; Y369-K378 HydrophobicContact CE1-CD 3.89Å
370K63.9Low63.5Low153 Ų15392.2 Ų92.267%0.66551%0.51SS*.SBendtrans-78.2-36.9179.9-66-174.8179-176.20112.5D374K370-D374 HydrophobicContact CB-CB 4.35Å; K370-D374 PolarHBondContact N-OD2 2.99Å
371N70.9Confident65.1Low115 Ų11594.8 Ų94.862%0.61550%0.504SS*.SBendtrans-153.9165.2-177.8-75.9-39.6000110F373 D374 C375N371-F373 PolarHBondContact O-N 2.82Å; N371-F373 VanDerWaalsContact O-N 3.14Å; N371-D374 WeakPolarHBondContact O-CA 3.36Å; N371-D374 WeakPolarHBondContact O-CB 3.47Å; N371-D374 PolarHBondContact O-N 3.49Å; N371-C375 PolarHBondContact O-N 3.43Å
372S70.5Confident66.7Low73 Ų73100 Ų10051%0.5150%0.503SS..Hα-helixtrans-54.1-34.5175.9-52.90000113.3V350 C375 A376V350-S372 WeakPolarHBondContact CG1-O 3.34Å; S372-C375 PolarHBondContact O-N 3.4Å; S372-A376 PolarHBondContact O-N 3.05Å
373F76.6Confident68.4Low162 Ų162100.1 Ų100.171%0.71150%0.495SS*.Hα-helixtrans-71.3-36.4176-170.1-101.3000112.8N371 A376 K377N371-F373 PolarHBondContact O-N 2.82Å; N371-F373 VanDerWaalsContact O-N 3.14Å; F373-A376 PolarHBondContact O-N 3.17Å; F373-K377 VanDerWaalsContact O-CB 3.29Å; F373-K377 WeakPolarHBondContact O-CB 3.49Å; F373-K377 PolarHBondContact O-N 3.36Å
374D77.1Confident69.9Low38 Ų3890.7 Ų90.720%0.20346%0.462CS..Hα-helixtrans-67.5-38.8174-177.846.1000110.9K370 N371 K377 K378K370-D374 HydrophobicContact CB-CB 4.35Å; K370-D374 PolarHBondContact N-OD2 2.99Å; N371-D374 WeakPolarHBondContact O-CA 3.36Å; N371-D374 WeakPolarHBondContact O-CB 3.47Å; N371-D374 PolarHBondContact O-N 3.49Å; D374-K377 PolarHBondContact O-N 3.37Å; D374-K378 WeakPolarHBondContact O-CB 3.34Å; D374-K378 VanDerWaalsContact O-CG 3.31Å; D374-K378 WeakPolarHBondContact O-CG 3.41Å; D374-K378 PolarHBondContact O-N 2.84Å; D374-K378 WeakPolarHBondContact OD1-CE 3.33Å; D374-K378 IonicContact OD1-NZ 2.8Å; D374-K378 WeakPolarHBondContact OD2-CE 3.41Å; D374-K378 IonicContact OD2-NZ 3.65Å; D374-K378 PolarHBondContact OD2-NZ 3.44Å
375C75.4Confident71.3Confident0 Ų092 Ų920%046%0.459CS..Hα-helixtrans-60-52.3171.4-172.50000111.6V350 M354 Y369 N371 S372 K377 K378 V379V350-C375 HydrophobicContact CG1-CB 4.14Å; M354-C375 HydrophobicContact CG-CB 4.21Å; M354-C375 HydrophobicContact SD-CB 3.97Å; Y369-C375 VanDerWaalsContact CD1-CA 3.43Å; Y369-C375 HydrophobicContact CD1-CB 3.71Å; Y369-C375 HydrophobicContact CD2-CB 4.3Å; Y369-C375 HydrophobicContact CE1-CB 4.26Å; Y369-C375 HydrophobicContact CG-CB 3.73Å; N371-C375 PolarHBondContact O-N 3.43Å; S372-C375 PolarHBondContact O-N 3.4Å; C375-K377 VanDerWaalsContact C-N 3.34Å; C375-K377 PolarHBondContact O-N 2.88Å; C375-K378 PolarHBondContact O-N 3.21Å; C375-V379 VanDerWaalsContact O-CG2 3.24Å; C375-V379 WeakPolarHBondContact O-CG2 3.38Å; C375-V379 PolarHBondContact O-N 3.43Å
376A79.7Confident72.7Confident28 Ų2896 Ų9623%0.23145%0.453CS..Hα-helixtrans-58.8-43.7177.400000112.4V350 S372 F373 K378 V379 L380 F388V350-A376 HydrophobicContact CG2-CB 3.93Å; S372-A376 PolarHBondContact O-N 3.05Å; F373-A376 PolarHBondContact O-N 3.17Å; A376-K378 PolarHBondContact O-N 3.02Å; A376-V379 PolarHBondContact O-N 2.84Å; A376-L380 WeakPolarHBondContact O-CB 3.1Å; A376-L380 PolarHBondContact O-N 3.4Å; A376-F388 HydrophobicContact CB-CE1 4.33Å; A376-F388 HydrophobicContact CB-CZ 4.42Å; A376-F388 WeakPolarHBondContact O-CZ 3.3Å
377K81.8Confident73.6Confident129 Ų12989.3 Ų89.356%0.56142%0.423SS*.Hα-helixtrans-63.4-41.3178.3-171.9175.9-176.7176.20112.1F373 D374 C375 R381F373-K377 VanDerWaalsContact O-CB 3.29Å; F373-K377 WeakPolarHBondContact O-CB 3.49Å; F373-K377 PolarHBondContact O-N 3.36Å; D374-K377 PolarHBondContact O-N 3.37Å; C375-K377 VanDerWaalsContact C-N 3.34Å; C375-K377 PolarHBondContact O-N 2.88Å; K377-R381 VanDerWaalsContact O-CB 3.27Å; K377-R381 WeakPolarHBondContact O-CB 3.48Å; K377-R381 PolarHBondContact O-N 3.45Å
378K78.8Confident74.6Confident61 Ų6186.3 Ų86.327%0.26541%0.407SS..Hα-helixtrans-68.2-41.5176.3-76.6169.2171.1165.90111.7M368 Y369 D374 C375 A376 L380 R381 Y382M368-K378 PolarHBondContact O-NZ 3.06Å; Y369-K378 HydrophobicContact CD1-CB 4.46Å; Y369-K378 HydrophobicContact CD1-CD 3.72Å; Y369-K378 HydrophobicContact CE1-CB 4.04Å; Y369-K378 HydrophobicContact CE1-CD 3.89Å; D374-K378 WeakPolarHBondContact O-CB 3.34Å; D374-K378 VanDerWaalsContact O-CG 3.31Å; D374-K378 WeakPolarHBondContact O-CG 3.41Å; D374-K378 PolarHBondContact O-N 2.84Å; D374-K378 WeakPolarHBondContact OD1-CE 3.33Å; D374-K378 IonicContact OD1-NZ 2.8Å; D374-K378 WeakPolarHBondContact OD2-CE 3.41Å; D374-K378 IonicContact OD2-NZ 3.65Å; D374-K378 PolarHBondContact OD2-NZ 3.44Å; C375-K378 PolarHBondContact O-N 3.21Å; A376-K378 PolarHBondContact O-N 3.02Å; K378-L380 PolarHBondContact O-N 2.83Å; K378-R381 PolarHBondContact O-N 2.92Å; K378-Y382 HydrophobicContact CB-CD2 4.09Å; K378-Y382 HydrophobicContact CB-CE2 4.35Å; K378-Y382 HydrophobicContact CG-CD2 4.4Å; K378-Y382 HydrophobicContact CG-CE2 4.15Å; K378-Y382 WeakPolarHBondContact O-CB 3.45Å; K378-Y382 WeakPolarHBondContact O-CD2 3.5Å; K378-Y382 PolarHBondContact O-N 2.85Å
379V78.8Confident75.4Confident1 Ų183.3 Ų83.31%0.00639%0.388CS..Hα-helixtrans-57.9-49.7173.5173.50000110.3L349 C375 A376 R381 E383 G384 F388L349-V379 HydrophobicContact CD2-CG1 4.01Å; L349-V379 HydrophobicContact CD2-CG2 3.96Å; C375-V379 VanDerWaalsContact O-CG2 3.24Å; C375-V379 WeakPolarHBondContact O-CG2 3.38Å; C375-V379 PolarHBondContact O-N 3.43Å; A376-V379 PolarHBondContact O-N 2.84Å; V379-R381 VanDerWaalsContact C-N 3.33Å; V379-R381 PolarHBondContact O-N 2.96Å; V379-E383 WeakPolarHBondContact O-CA 3.34Å; V379-E383 WeakPolarHBondContact O-CB 3.27Å; V379-E383 PolarHBondContact O-N 2.92Å; V379-G384 PolarHBondContact O-N 3.31Å; V379-F388 HydrophobicContact CB-CE1 3.95Å; V379-F388 HydrophobicContact CB-CZ 3.98Å; V379-F388 HydrophobicContact CG1-CD1 3.77Å; V379-F388 HydrophobicContact CG1-CD2 4.11Å; V379-F388 HydrophobicContact CG1-CE1 3.68Å; V379-F388 HydrophobicContact CG1-CE2 4.02Å; V379-F388 HydrophobicContact CG1-CG 4Å; V379-F388 HydrophobicContact CG1-CZ 3.82Å
380L81.4Confident75.6Confident94 Ų9491.4 Ų91.449%0.49242%0.419SS..Hα-helixtrans-62.2-39.9178.9-173.863.8000112.3A376 K378 G384 F385 F388A376-L380 WeakPolarHBondContact O-CB 3.1Å; A376-L380 PolarHBondContact O-N 3.4Å; K378-L380 PolarHBondContact O-N 2.83Å; L380-G384 VanDerWaalsContact O-CA 3.28Å; L380-G384 WeakPolarHBondContact O-CA 3.44Å; L380-G384 PolarHBondContact O-N 2.93Å; L380-F385 HydrophobicContact CD1-CB 4.49Å; L380-F388 HydrophobicContact CB-CE2 3.81Å; L380-F388 HydrophobicContact CB-CZ 4.07Å; L380-F388 HydrophobicContact CD1-CE2 3.91Å; L380-F388 HydrophobicContact CG-CE2 4.41Å
381R78.9Confident75.6Confident194 Ų19485.7 Ų85.773%0.73240%0.403SS*.Hα-helixtrans-74.7-38-177.2-171.7174.4-173.6168.62.9113.6K377 K378 V379K377-R381 VanDerWaalsContact O-CB 3.27Å; K377-R381 WeakPolarHBondContact O-CB 3.48Å; K377-R381 PolarHBondContact O-N 3.45Å; K378-R381 PolarHBondContact O-N 2.92Å; V379-R381 VanDerWaalsContact C-N 3.33Å; V379-R381 PolarHBondContact O-N 2.96Å
382Y77.4Confident75.7Confident179 Ų17981.5 Ų81.570%0.70238%0.38SS*.Hα-helixtrans-102.3-28.2-173-66.8-71.2000113.9K378K378-Y382 HydrophobicContact CB-CD2 4.09Å; K378-Y382 HydrophobicContact CB-CE2 4.35Å; K378-Y382 HydrophobicContact CG-CD2 4.4Å; K378-Y382 HydrophobicContact CG-CE2 4.15Å; K378-Y382 WeakPolarHBondContact O-CB 3.45Å; K378-Y382 WeakPolarHBondContact O-CD2 3.5Å; K378-Y382 PolarHBondContact O-N 2.85Å
383E72.4Confident75.6Confident77 Ų7783.9 Ų83.936%0.3639%0.387SS..Hα-helixtrans-113.8-7.9-178.5-60179.1-154.500113.1R353 V379 G387R353-E383 IonicContact CZ-OE1 3.54Å; R353-E383 VanDerWaalsContact CZ-OE1 3.23Å; R353-E383 IonicContact CZ-OE2 3.33Å; R353-E383 IonicContact NH1-OE1 3.74Å; R353-E383 PolarHBondContact NH1-OE1 3.45Å; R353-E383 IonicContact NH1-OE2 3.74Å; R353-E383 IonicContact NH2-OE1 3.25Å; R353-E383 PolarHBondContact NH2-OE1 2.89Å; R353-E383 IonicContact NH2-OE2 3.09Å; R353-E383 PolarHBondContact NH2-OE2 2.85Å; V379-E383 WeakPolarHBondContact O-CA 3.34Å; V379-E383 WeakPolarHBondContact O-CB 3.27Å; V379-E383 PolarHBondContact O-N 2.92Å; E383-G387 PolarHBondContact O-N 2.89Å
384G77.1Confident75Confident28 Ų2878.9 Ų78.929%0.28937%0.37SS..Hα-helixtrans72.2-177.8-178.500000113.5V379 L380 F386 G387V379-G384 PolarHBondContact O-N 3.31Å; L380-G384 VanDerWaalsContact O-CA 3.28Å; L380-G384 WeakPolarHBondContact O-CA 3.44Å; L380-G384 PolarHBondContact O-N 2.93Å; G384-F386 VanDerWaalsContact C-N 3.34Å; G384-F386 PolarHBondContact O-N 3.44Å; G384-G387 PolarHBondContact O-N 3.36Å
385F77.4Confident74.7Confident128 Ų12878 Ų7856%0.56137%0.365SS*.Hα-helixtrans-60.3-40.3-179.2-178.7-100000112.8L380 G387 F388 Y389L380-F385 HydrophobicContact CD1-CB 4.49Å; F385-G387 PolarHBondContact O-N 2.78Å; F385-F388 PolarHBondContact O-N 3.24Å; F385-Y389 HydrophobicContact CE1-CE2 4.09Å; F385-Y389 HydrophobicContact CZ-CE2 4.13Å
386F76.2Confident74.5Confident170 Ų17080.4 Ų80.475%0.74638%0.378SS*.Hα-helixtrans-70.1-17.4176.6-67.7-72.4000113.5G384 F388 Y389 R390G384-F386 VanDerWaalsContact C-N 3.34Å; G384-F386 PolarHBondContact O-N 3.44Å; F386-F388 PolarHBondContact O-N 3.25Å; F386-Y389 PolarHBondContact O-N 3Å; F386-Y389 VanDerWaalsContact O-N 3.08Å; F386-R390 PolarHBondContact O-N 3.27Å
387G70.7Confident74.1Confident4 Ų484.5 Ų84.54%0.04139%0.394CS..Hα-helixtrans-57.6-35.1172.300000112.9E383 G384 F385 Y389 R390E383-G387 PolarHBondContact O-N 2.89Å; G384-G387 PolarHBondContact O-N 3.36Å; F385-G387 PolarHBondContact O-N 2.78Å; G387-Y389 PolarHBondContact O-N 3.4Å; G387-R390 WeakPolarHBondContact O-CB 3.27Å; G387-R390 PolarHBondContact O-N 2.84Å
388F77.8Confident73.5Confident23 Ų2379.1 Ų79.110%0.10138%0.376CS..THydrogen-bonded Turntrans-63.6-21.5176.5-73-76000114.1Y345 P346 L349 V350 A376 V379 L380 F385 F386Y345-F388 WeakPolarHBondContact CD1-O 3.33Å; Y345-F388 WeakPolarHBondContact CE1-O 3.21Å; P346-F388 HydrophobicContact CB-CB 4.08Å; P346-F388 HydrophobicContact CB-CD1 3.93Å; P346-F388 HydrophobicContact CB-CG 4.21Å; P346-F388 HydrophobicContact CG-CB 4.2Å; L349-F388 HydrophobicContact CD2-CD1 4.35Å; V350-F388 HydrophobicContact CG2-CE1 4.1Å; A376-F388 HydrophobicContact CB-CE1 4.33Å; A376-F388 HydrophobicContact CB-CZ 4.42Å; A376-F388 WeakPolarHBondContact O-CZ 3.3Å; V379-F388 HydrophobicContact CB-CE1 3.95Å; V379-F388 HydrophobicContact CB-CZ 3.98Å; V379-F388 HydrophobicContact CG1-CD1 3.77Å; V379-F388 HydrophobicContact CG1-CD2 4.11Å; V379-F388 HydrophobicContact CG1-CE1 3.68Å; V379-F388 HydrophobicContact CG1-CE2 4.02Å; V379-F388 HydrophobicContact CG1-CG 4Å; V379-F388 HydrophobicContact CG1-CZ 3.82Å; L380-F388 HydrophobicContact CB-CE2 3.81Å; L380-F388 HydrophobicContact CB-CZ 4.07Å; L380-F388 HydrophobicContact CD1-CE2 3.91Å; L380-F388 HydrophobicContact CG-CE2 4.41Å; F385-F388 PolarHBondContact O-N 3.24Å; F386-F388 PolarHBondContact O-N 3.25Å
389Y76.6Confident73.1Confident70 Ų7076.6 Ų76.628%0.27537%0.366SS..THydrogen-bonded Turntrans-105.74.9-177.3-63.8-79.5000113.6T342 Y345 P346 F385 F386 G387 G391 L392T342-Y389 HydrophobicContact CG2-CD1 4.5Å; T342-Y389 HydrophobicContact CG2-CE1 4.06Å; T342-Y389 WeakPolarHBondContact O-CE1 3.49Å; Y345-Y389 HydrophobicContact CD1-CD1 4.01Å; Y345-Y389 HydrophobicContact CG-CD1 4.5Å; P346-Y389 HydrophobicContact CG-CE1 4.03Å; P346-Y389 HydrophobicContact CG-CE2 4.36Å; F385-Y389 HydrophobicContact CE1-CE2 4.09Å; F385-Y389 HydrophobicContact CZ-CE2 4.13Å; F386-Y389 PolarHBondContact O-N 3Å; F386-Y389 VanDerWaalsContact O-N 3.08Å; G387-Y389 PolarHBondContact O-N 3.4Å; Y389-G391 PolarHBondContact O-N 3.2Å; Y389-G391 VanDerWaalsContact O-N 3.14Å; Y389-L392 HydrophobicContact CD1-CD2 4.1Å; Y389-L392 VanDerWaalsContact O-CB 3.28Å; Y389-L392 WeakPolarHBondContact O-CB 3.19Å; Y389-L392 PolarHBondContact O-N 3.03Å; Y389-L392 VanDerWaalsContact O-N 3.08Å
390R67Low72.5Confident193 Ų19377.8 Ų77.873%0.72838%0.376SS*.THydrogen-bonded Turntrans-66114.6178.3-162.6173.4177.8128.1-4109.5Y345 F386 G387Y345-R390 PolarHBondContact OH-O 3.19Å; F386-R390 PolarHBondContact O-N 3.27Å; G387-R390 WeakPolarHBondContact O-CB 3.27Å; G387-R390 PolarHBondContact O-N 2.84Å
391G66Low72Confident32 Ų3275.8 Ų75.833%0.3337%0.368SS..THydrogen-bonded Turntrans100.14-175.500000115.7Y345 Y389 L393 P394Y345-G391 VanDerWaalsContact OH-CA 3.22Å; Y345-G391 WeakPolarHBondContact OH-CA 3.06Å; Y345-G391 PolarHBondContact OH-O 2.88Å; Y389-G391 PolarHBondContact O-N 3.2Å; Y389-G391 VanDerWaalsContact O-N 3.14Å; G391-L393 VanDerWaalsContact C-N 3.31Å; G391-L393 PolarHBondContact O-N 2.74Å; G391-P394 WeakPolarHBondContact O-CD 3.44Å
392L72.2Confident71.7Confident27 Ų2768.5 Ų68.514%0.14134%0.343CS..Hα-helixtrans-62.9-35.7176.5179.266.9000112.3T342 Y345 Y389 Q395 L396T342-L392 HydrophobicContact CG2-CD2 3.92Å; Y345-L392 HydrophobicContact CD1-CB 4.31Å; Y345-L392 HydrophobicContact CD1-CD1 4.41Å; Y345-L392 HydrophobicContact CD2-CB 4.38Å; Y345-L392 HydrophobicContact CD2-CD1 3.58Å; Y345-L392 HydrophobicContact CE1-CB 4.21Å; Y345-L392 HydrophobicContact CE2-CB 4.26Å; Y345-L392 HydrophobicContact CE2-CD1 4.16Å; Y345-L392 HydrophobicContact CG-CB 4.41Å; Y345-L392 HydrophobicContact CG-CD1 3.74Å; Y345-L392 PolarHBondContact OH-N 3.14Å; Y389-L392 HydrophobicContact CD1-CD2 4.1Å; Y389-L392 VanDerWaalsContact O-CB 3.28Å; Y389-L392 WeakPolarHBondContact O-CB 3.19Å; Y389-L392 PolarHBondContact O-N 3.03Å; Y389-L392 VanDerWaalsContact O-N 3.08Å; L392-Q395 WeakPolarHBondContact O-CA 3.47Å; L392-Q395 VanDerWaalsContact O-CB 3.23Å; L392-Q395 WeakPolarHBondContact O-CB 3.44Å; L392-Q395 PolarHBondContact O-N 2.9Å; L392-L396 HydrophobicContact CD1-CD1 4.35Å; L392-L396 HydrophobicContact CD1-CD2 4.15Å; L392-L396 HydrophobicContact CD1-CG 4.01Å; L392-L396 HydrophobicContact CD2-CD1 4.12Å; L392-L396 HydrophobicContact CG-CD1 3.84Å; L392-L396 HydrophobicContact CG-CG 3.94Å; L392-L396 WeakPolarHBondContact O-CG 3.4Å; L392-L396 PolarHBondContact O-N 2.85Å
393L68.4Low71.3Confident124 Ų12462.9 Ų62.965%0.64932%0.322SS*.Hα-helixtrans-60.5-49.7-176.3-17968.6000113.1G391 Q395 L396 I397G391-L393 VanDerWaalsContact C-N 3.31Å; G391-L393 PolarHBondContact O-N 2.74Å; L393-Q395 PolarHBondContact O-N 3.28Å; L393-L396 PolarHBondContact O-N 2.69Å; L393-I397 HydrophobicContact CD1-CD1 4.3Å; L393-I397 HydrophobicContact CG-CD1 4.09Å; L393-I397 WeakPolarHBondContact O-CG1 3.44Å; L393-I397 PolarHBondContact O-N 3.14Å; L393-I397 VanDerWaalsContact O-N 3.09Å
394P64.7Low71Confident56 Ų5660.3 Ų60.336%0.36431%0.314SS..Hα-helixtrans-57.7-32.2170.1-26.832.3000114.7G391 G398G391-P394 WeakPolarHBondContact O-CD 3.44Å; P394-G398 PolarHBondContact O-N 2.79Å
395Q69.2Low70.9Confident20 Ų2060.8 Ų60.89%0.09331%0.309CS..Hα-helixtrans-65.9-48.4175.1178.977.431.300110.5Y345 L392 L393 G398 V399Y345-Q395 HydrophobicContact CD2-CG 4.46Å; Y345-Q395 HydrophobicContact CE2-CB 4.2Å; Y345-Q395 HydrophobicContact CE2-CG 4.46Å; L392-Q395 WeakPolarHBondContact O-CA 3.47Å; L392-Q395 VanDerWaalsContact O-CB 3.23Å; L392-Q395 WeakPolarHBondContact O-CB 3.44Å; L392-Q395 PolarHBondContact O-N 2.9Å; L393-Q395 PolarHBondContact O-N 3.28Å; Q395-G398 PolarHBondContact O-N 2.8Å; Q395-V399 VanDerWaalsContact O-CG2 3.3Å; Q395-V399 WeakPolarHBondContact O-CG2 3.47Å; Q395-V399 PolarHBondContact O-N 3.25Å
396L72Confident70.6Confident51 Ų5155.4 Ų55.427%0.26729%0.285SS..Hα-helixtrans-65.6-40.4-177.1-66.5179.7000112.6A338 A341 L392 L393 G398 V399A338-L396 HydrophobicContact CB-CD2 3.7Å; A341-L396 HydrophobicContact CB-CD2 4.38Å; L392-L396 HydrophobicContact CD1-CD1 4.35Å; L392-L396 HydrophobicContact CD1-CD2 4.15Å; L392-L396 HydrophobicContact CD1-CG 4.01Å; L392-L396 HydrophobicContact CD2-CD1 4.12Å; L392-L396 HydrophobicContact CG-CD1 3.84Å; L392-L396 HydrophobicContact CG-CG 3.94Å; L392-L396 WeakPolarHBondContact O-CG 3.4Å; L392-L396 PolarHBondContact O-N 2.85Å; L393-L396 PolarHBondContact O-N 2.69Å; L396-G398 PolarHBondContact O-N 3.37Å; L396-V399 PolarHBondContact O-N 3.44Å
397I71.9Confident70.1Confident113 Ų11350.9 Ų50.958%0.57927%0.269SS*.Hα-helixtrans-60-34.8176.9-66.6167.1000111.3L393 P401L393-I397 HydrophobicContact CD1-CD1 4.3Å; L393-I397 HydrophobicContact CG-CD1 4.09Å; L393-I397 WeakPolarHBondContact O-CG1 3.44Å; L393-I397 PolarHBondContact O-N 3.14Å; L393-I397 VanDerWaalsContact O-N 3.09Å; I397-P401 VanDerWaalsContact O-CD 3.26Å; I397-P401 WeakPolarHBondContact O-CD 3.46Å
398G67.8Low69.9Low17 Ų1754.8 Ų54.818%0.17529%0.292CS..Hα-helixtrans-79.7-24.7179.400000114.9P394 Q395 L396 E402P394-G398 PolarHBondContact O-N 2.79Å; Q395-G398 PolarHBondContact O-N 2.8Å; L396-G398 PolarHBondContact O-N 3.37Å; G398-E402 WeakPolarHBondContact O-CB 3.42Å; G398-E402 PolarHBondContact O-N 3.32Å
399V70.8Confident69.8Low8 Ų855.3 Ų55.35%0.04830%0.297CS..Hα-helixtrans-69.2-42.3-173.5167.70000111.8A341 Q395 L396 E402 K403A341-V399 HydrophobicContact CB-CG2 4.41Å; Q395-V399 VanDerWaalsContact O-CG2 3.3Å; Q395-V399 WeakPolarHBondContact O-CG2 3.47Å; Q395-V399 PolarHBondContact O-N 3.25Å; L396-V399 PolarHBondContact O-N 3.44Å; V399-E402 PolarHBondContact O-N 3.02Å; V399-K403 HydrophobicContact CG1-CG 4.17Å; V399-K403 WeakPolarHBondContact O-CG 3.39Å; V399-K403 PolarHBondContact O-N 3.4Å
400A67.2Low69.6Low26 Ų2652.1 Ų52.122%0.21529%0.285CS..Hα-helixtrans-62.4-55.7-175.700000111.9F330 S334 E402 K403 A404F330-A400 HydrophobicContact CE2-CB 4.42Å; F330-A400 WeakPolarHBondContact CE2-O 3.38Å; F330-A400 HydrophobicContact CZ-CB 3.88Å; S334-A400 WeakPolarHBondContact OG-CB 3.35Å; A400-E402 VanDerWaalsContact C-N 3.28Å; A400-E402 PolarHBondContact O-N 3.34Å; A400-K403 PolarHBondContact O-N 2.82Å; A400-K403 VanDerWaalsContact O-N 3.12Å; A400-A404 PolarHBondContact O-N 2.78Å
401P70.7Confident69.5Low52 Ų5246.2 Ų46.234%0.33827%0.268SS..Hα-helixtrans-58.5-38177.4-23.433.9000113.5I397 K403 A404 I405I397-P401 VanDerWaalsContact O-CD 3.26Å; I397-P401 WeakPolarHBondContact O-CD 3.46Å; P401-K403 PolarHBondContact O-N 3.25Å; P401-A404 PolarHBondContact O-N 3Å; P401-I405 WeakPolarHBondContact O-CG1 3.4Å; P401-I405 PolarHBondContact O-N 3.31Å
402E71.9Confident69.8Low41 Ų4150.5 Ų50.519%0.19228%0.277CS..Hα-helixtrans-60.2-44177.4-173.3-159.9124.500111.6G398 V399 A400 K406 Q440 T444G398-E402 WeakPolarHBondContact O-CB 3.42Å; G398-E402 PolarHBondContact O-N 3.32Å; V399-E402 PolarHBondContact O-N 3.02Å; A400-E402 VanDerWaalsContact C-N 3.28Å; A400-E402 PolarHBondContact O-N 3.34Å; E402-K406 WeakPolarHBondContact O-CB 3.34Å; E402-K406 PolarHBondContact O-N 3.29Å; E402-Q440 HydrophobicContact CG-CG 4.02Å; E402-T444 HydrophobicContact CB-CG2 4Å; E402-T444 HydrophobicContact CG-CG2 4.17Å
403K69.2Low69.9Low61 Ų6150.4 Ų50.427%0.26528%0.278SS..Hα-helixtrans-76-35.5179.8-61.8-48.9177-148.40113.1V399 A400 P401 L407V399-K403 HydrophobicContact CG1-CG 4.17Å; V399-K403 WeakPolarHBondContact O-CG 3.39Å; V399-K403 PolarHBondContact O-N 3.4Å; A400-K403 PolarHBondContact O-N 2.82Å; A400-K403 VanDerWaalsContact O-N 3.12Å; P401-K403 PolarHBondContact O-N 3.25Å; K403-L407 WeakPolarHBondContact O-CG 3.47Å; K403-L407 PolarHBondContact O-N 3.47Å; K403-L407 VanDerWaalsContact O-N 3.1Å
404A66.7Low69.8Low23 Ų2346 Ų4619%0.1925%0.252CS..Hα-helixtrans-53-60.6175.300000110.8F330 A400 P401 K406 L407 T408F330-A404 HydrophobicContact CD2-CB 3.39Å; F330-A404 HydrophobicContact CE2-CB 3.03Å; F330-A404 HydrophobicContact CG-CB 4.5Å; F330-A404 HydrophobicContact CZ-CB 3.9Å; A400-A404 PolarHBondContact O-N 2.78Å; P401-A404 PolarHBondContact O-N 3Å; A404-K406 VanDerWaalsContact C-N 3.26Å; A404-K406 PolarHBondContact O-N 2.75Å; A404-L407 PolarHBondContact O-N 2.91Å; A404-T408 WeakPolarHBondContact O-CB 3.22Å; A404-T408 PolarHBondContact O-N 2.97Å; A404-T408 PolarHBondContact O-OG1 3.36Å
405I73.8Confident69.8Low38 Ų3848.5 Ų48.520%0.19526%0.263CS..Hα-helixtrans-64.1-39.7-170-63.5170.1000109.9P401 V409 F443P401-I405 WeakPolarHBondContact O-CG1 3.4Å; P401-I405 PolarHBondContact O-N 3.31Å; I405-V409 HydrophobicContact CG2-CG2 4.47Å; I405-V409 WeakPolarHBondContact O-CB 3.36Å; I405-V409 VanDerWaalsContact O-CG2 3.26Å; I405-V409 WeakPolarHBondContact O-CG2 3.29Å; I405-V409 PolarHBondContact O-N 2.87Å; I405-V409 VanDerWaalsContact O-N 3.14Å; I405-F443 HydrophobicContact CD1-CB 3.43Å; I405-F443 VanDerWaalsContact CD1-CB 3.43Å; I405-F443 HydrophobicContact CD1-CD2 3.93Å; I405-F443 HydrophobicContact CD1-CG 3.77Å; I405-F443 HydrophobicContact CG2-CD2 4.25Å
406K72.3Confident69.9Low14 Ų1454.6 Ų54.66%0.06129%0.289CS..Hα-helixtrans-66.4-44.1-178.5-167.8177.5-174.3161.30112.6E402 A404 N410 A436 S495 F499E402-K406 WeakPolarHBondContact O-CB 3.34Å; E402-K406 PolarHBondContact O-N 3.29Å; A404-K406 VanDerWaalsContact C-N 3.26Å; A404-K406 PolarHBondContact O-N 2.75Å; K406-N410 VanDerWaalsContact O-CB 3.31Å; K406-N410 WeakPolarHBondContact O-CB 3.21Å; K406-N410 PolarHBondContact O-N 3.17Å; K406-A436 HydrophobicContact CG-CB 4.21Å; K406-A436 WeakPolarHBondContact O-CB 3.47Å; K406-S495 WeakPolarHBondContact CE-OG 3.49Å; K406-S495 PolarHBondContact NZ-OG 2.86Å; K406-F499 HydrophobicContact CD-CE2 4.34Å; K406-F499 HydrophobicContact CD-CZ 4.35Å; K406-F499 HydrophobicContact CG-CE2 4.07Å; K406-F499 HydrophobicContact CG-CZ 4.02Å
407L65.3Low69.7Low75 Ų7557 Ų5739%0.39330%0.297SS..Hα-helixtrans-72.9-47.3-179.9-68.5173000111.1K403 A404 V409 N410 D411 F499K403-L407 WeakPolarHBondContact O-CG 3.47Å; K403-L407 PolarHBondContact O-N 3.47Å; K403-L407 VanDerWaalsContact O-N 3.1Å; A404-L407 PolarHBondContact O-N 2.91Å; L407-V409 VanDerWaalsContact C-N 3.33Å; L407-V409 PolarHBondContact O-N 2.97Å; L407-N410 PolarHBondContact O-N 3.35Å; L407-N410 VanDerWaalsContact O-N 3.11Å; L407-D411 PolarHBondContact O-N 3.26Å; L407-F499 HydrophobicContact CD2-CE1 4.27Å; L407-F499 HydrophobicContact CD2-CZ 4.45Å
408T67.4Low69.4Low87 Ų8754.2 Ų54.253%0.53429%0.286SS..Hα-helixtrans-58.8-42.7-178.9-55.50000112.7A404 F412A404-T408 WeakPolarHBondContact O-CB 3.22Å; A404-T408 PolarHBondContact O-N 2.97Å; A404-T408 PolarHBondContact O-OG1 3.36Å; T408-F412 VanDerWaalsContact O-CB 3.28Å; T408-F412 WeakPolarHBondContact O-CB 3.42Å; T408-F412 PolarHBondContact O-N 2.94Å
409V74.4Confident68.8Low33 Ų3357 Ų5720%0.230%0.299CS..Hα-helixtrans-72.6-34.7178.5176.30000111.5I405 L407 V413 A436I405-V409 HydrophobicContact CG2-CG2 4.47Å; I405-V409 WeakPolarHBondContact O-CB 3.36Å; I405-V409 VanDerWaalsContact O-CG2 3.26Å; I405-V409 WeakPolarHBondContact O-CG2 3.29Å; I405-V409 PolarHBondContact O-N 2.87Å; I405-V409 VanDerWaalsContact O-N 3.14Å; L407-V409 VanDerWaalsContact C-N 3.33Å; L407-V409 PolarHBondContact O-N 2.97Å; V409-V413 HydrophobicContact CG1-CG2 4.38Å; V409-V413 WeakPolarHBondContact O-CB 3.49Å; V409-V413 VanDerWaalsContact O-CG2 3.27Å; V409-V413 WeakPolarHBondContact O-CG2 3.32Å; V409-V413 PolarHBondContact O-N 3Å; V409-V413 VanDerWaalsContact O-N 3.12Å; V409-A436 HydrophobicContact CB-CB 4.32Å; V409-A436 HydrophobicContact CG1-CB 4.3Å
410N72.1Confident67.7Low4 Ų465.9 Ų65.92%0.02134%0.34CS..Hα-helixtrans-64.7-47.2176.7-168.4-114.1000111.1K406 L407 V413 R414 A432 G433 A436 F499K406-N410 VanDerWaalsContact O-CB 3.31Å; K406-N410 WeakPolarHBondContact O-CB 3.21Å; K406-N410 PolarHBondContact O-N 3.17Å; L407-N410 PolarHBondContact O-N 3.35Å; L407-N410 VanDerWaalsContact O-N 3.11Å; N410-V413 PolarHBondContact O-N 2.87Å; N410-R414 WeakPolarHBondContact O-CB 3.45Å; N410-R414 VanDerWaalsContact O-CG 3.28Å; N410-R414 WeakPolarHBondContact O-CG 3.5Å; N410-R414 PolarHBondContact O-N 2.9Å; N410-R414 WeakPolarHBondContact OD1-CD 3.47Å; N410-R414 PolarHBondContact OD1-NE 3.31Å; N410-A432 PolarHBondContact ND2-O 3.26Å; N410-G433 PolarHBondContact ND2-N 3.46Å; N410-A436 HydrophobicContact CB-CB 3.97Å; N410-F499 HydrophobicContact CB-CE1 4.32Å; N410-F499 HydrophobicContact CB-CE2 4.18Å; N410-F499 HydrophobicContact CB-CZ 3.93Å
411D66.2Low66.6Low69 Ų6970.8 Ų70.837%0.36936%0.363SS..Hα-helixtrans-62.9-48.5178.7-66.2-12.9000110.6L407 V413 R414 D415L407-D411 PolarHBondContact O-N 3.26Å; D411-V413 VanDerWaalsContact C-N 3.28Å; D411-V413 PolarHBondContact O-N 2.96Å; D411-R414 PolarHBondContact O-N 3.31Å; D411-D415 WeakPolarHBondContact O-CB 3.35Å; D411-D415 VanDerWaalsContact O-CG 3.24Å; D411-D415 PolarHBondContact O-N 3.3Å
412F70.6Confident65.9Low122 Ų12273.7 Ų73.754%0.53538%0.376SS..Hα-helixtrans-57.6-38.4178.5179.1-100.3000113.5T408 K416T408-F412 VanDerWaalsContact O-CB 3.28Å; T408-F412 WeakPolarHBondContact O-CB 3.42Å; T408-F412 PolarHBondContact O-N 2.94Å; F412-K416 HydrophobicContact CE1-CD 4.27Å; F412-K416 HydrophobicContact CZ-CD 4.35Å
413V74.3Confident64.9Low24 Ų2475.9 Ų75.915%0.14539%0.392CS..Hα-helixtrans-78.5-40.2179.5178.80000110.6V409 N410 D411 K416 F417 A432V409-V413 HydrophobicContact CG1-CG2 4.38Å; V409-V413 WeakPolarHBondContact O-CB 3.49Å; V409-V413 VanDerWaalsContact O-CG2 3.27Å; V409-V413 WeakPolarHBondContact O-CG2 3.32Å; V409-V413 PolarHBondContact O-N 3Å; V409-V413 VanDerWaalsContact O-N 3.12Å; N410-V413 PolarHBondContact O-N 2.87Å; D411-V413 VanDerWaalsContact C-N 3.28Å; D411-V413 PolarHBondContact O-N 2.96Å; V413-K416 PolarHBondContact O-N 2.84Å; V413-F417 HydrophobicContact CG1-CD2 3.76Å; V413-F417 HydrophobicContact CG1-CE2 3.66Å; V413-F417 WeakPolarHBondContact O-CD2 3.36Å; V413-F417 PolarHBondContact O-N 2.99Å; V413-A432 HydrophobicContact CB-CB 3.93Å; V413-A432 HydrophobicContact CG1-CB 3.71Å
414R66.4Low64.8Low32 Ų3275.1 Ų75.112%0.12139%0.39CS..Hα-helixtrans-58.7-47.4174.2-78175.7175.2-90.3-4.3111.4N410 D411 K416 F417 T418 I424 E429 A432N410-R414 WeakPolarHBondContact O-CB 3.45Å; N410-R414 VanDerWaalsContact O-CG 3.28Å; N410-R414 WeakPolarHBondContact O-CG 3.5Å; N410-R414 PolarHBondContact O-N 2.9Å; N410-R414 WeakPolarHBondContact OD1-CD 3.47Å; N410-R414 PolarHBondContact OD1-NE 3.31Å; D411-R414 PolarHBondContact O-N 3.31Å; R414-K416 PolarHBondContact O-N 2.91Å; R414-F417 CarbonylContact O-C 3.55Å; R414-F417 PolarHBondContact O-N 3.5Å; R414-T418 PolarHBondContact O-N 3.4Å; R414-T418 PolarHBondContact O-OG1 3.11Å; R414-I424 HydrophobicContact CB-CD1 3.98Å; R414-I424 HydrophobicContact CG-CD1 4.1Å; R414-E429 IonicContact CZ-OE1 2.55Å; R414-E429 IonicContact NH1-OE1 3.05Å; R414-E429 PolarHBondContact NH1-OE1 3.29Å; R414-E429 IonicContact NH2-OE1 3.78Å; R414-A432 HydrophobicContact CG-CB 3.82Å
415D66.2Low65.2Low109 Ų10977.6 Ų77.658%0.58341%0.405SS*.Hα-helixtrans-57.7-34.2-179.8-73.3-11.7000112.9D411 F417D411-D415 WeakPolarHBondContact O-CB 3.35Å; D411-D415 VanDerWaalsContact O-CG 3.24Å; D411-D415 PolarHBondContact O-N 3.3Å; D415-F417 VanDerWaalsContact C-N 3.33Å
416K70.2Confident65.2Low147 Ų14780.3 Ų80.364%0.63942%0.419SS*.Hα-helixtrans-75.4-20.2176.5-73.3-168.5175.9-153.40114.2F412 V413 R414F412-K416 HydrophobicContact CE1-CD 4.27Å; F412-K416 HydrophobicContact CZ-CD 4.35Å; V413-K416 PolarHBondContact O-N 2.84Å; R414-K416 PolarHBondContact O-N 2.91Å
417F69.2Low65.3Low102 Ų10285.6 Ų85.645%0.44745%0.447SS..Hα-helixtrans-108.61.1-179-70-66.2000113.2V413 R414 D415 T419 A428V413-F417 HydrophobicContact CG1-CD2 3.76Å; V413-F417 HydrophobicContact CG1-CE2 3.66Å; V413-F417 WeakPolarHBondContact O-CD2 3.36Å; V413-F417 PolarHBondContact O-N 2.99Å; R414-F417 CarbonylContact O-C 3.55Å; R414-F417 PolarHBondContact O-N 3.5Å; D415-F417 VanDerWaalsContact C-N 3.33Å; F417-T419 PolarHBondContact O-N 3.2Å; F417-A428 HydrophobicContact CB-CB 3.78Å; F417-A428 HydrophobicContact CD1-CB 4.47Å; F417-A428 HydrophobicContact CD2-CB 4.39Å; F417-A428 HydrophobicContact CG-CB 4Å
418T63.9Low65.8Low55 Ų5582.4 Ų82.434%0.33743%0.432SS..  trans-65.3118.7172-57.20000109.5R414R414-T418 PolarHBondContact O-N 3.4Å; R414-T418 PolarHBondContact O-OG1 3.11Å
419T55.2Low66.1Low74 Ų7479.1 Ų79.145%0.45441%0.41SS..  trans-83.9161.9176.7-53.90000109.9F417 D421 N422 T423F417-T419 PolarHBondContact O-N 3.2Å; T419-D421 PolarHBondContact O-N 2.79Å; T419-N422 PolarHBondContact O-N 3.16Å; T419-T423 PolarHBondContact N-O 3.18Å
420Q49.3Very low66.5Low195 Ų19581 Ų8191%0.91142%0.418SS*.THydrogen-bonded Turntrans-54.3-18.9-176.9-67.2-175.8-15.500114.6
421D43.5Very low67Low130 Ų13085.4 Ų85.470%0.69544%0.441SS*.THydrogen-bonded Turntrans-91.715.3176.6-59.3-41.5000114.1T419 T423T419-D421 PolarHBondContact O-N 2.79Å; D421-T423 PolarHBondContact O-N 3.01Å
422N55.5Low67.5Low113 Ų11382.1 Ų82.160%0.60442%0.424SS*.SBendtrans56.319.1-176-76.7-32.2000115.1T419T419-N422 PolarHBondContact O-N 3.16Å
423T52Low67.9Low87 Ų8776.3 Ų76.353%0.53440%0.398SS..  trans-103.5137.9176560000110.8T419 D421T419-T423 PolarHBondContact N-O 3.18Å; D421-T423 PolarHBondContact O-N 3.01Å
424I65.8Low68.3Low45 Ų4575.7 Ų75.723%0.23140%0.397CS..  trans-110.2120.4175.7-54.3172.1000107.4R414 A428 E429R414-I424 HydrophobicContact CB-CD1 3.98Å; R414-I424 HydrophobicContact CG-CD1 4.1Å; I424-A428 HydrophobicContact CG2-CB 3.92Å; I424-E429 HydrophobicContact CB-CG 4.08Å; I424-E429 HydrophobicContact CG2-CG 3.61Å
425P76.4Confident69Low75 Ų7575.9 Ų75.949%0.48740%0.403SS..  trans-63.3141.7177.421.7-28.6000110.8L427 A428 E429P425-L427 PolarHBondContact O-N 3.07Å; P425-A428 HydrophobicContact CG-CB 3.84Å; P425-A428 WeakPolarHBondContact O-CA 3.49Å; P425-A428 WeakPolarHBondContact O-CB 3.35Å; P425-A428 PolarHBondContact O-N 2.8Å; P425-E429 PolarHBondContact O-N 2.79Å; P425-E429 VanDerWaalsContact O-N 3.09Å
426L72.1Confident69.6Low94 Ų9470.7 Ų70.749%0.49238%0.375SS..Hα-helixtrans-50-38.1-176.5-17476.7000113E429 I430 P500L426-E429 WeakPolarHBondContact O-CB 3.38Å; L426-E429 PolarHBondContact O-N 3.29Å; L426-I430 HydrophobicContact CD2-CD1 4.42Å; L426-I430 HydrophobicContact CG-CD1 4.07Å; L426-I430 VanDerWaalsContact O-CG1 3.26Å; L426-I430 WeakPolarHBondContact O-CG1 3.26Å; L426-I430 PolarHBondContact O-N 3.42Å; L426-P500 HydrophobicContact CD1-CB 3.93Å
427L75.1Confident70.1Confident126 Ų12663.7 Ų63.766%0.6635%0.345SS*.Hα-helixtrans-67.4-36.7179.3-159.9145000112P425 I430 L431P425-L427 PolarHBondContact O-N 3.07Å; L427-I430 PolarHBondContact O-N 3.05Å; L427-L431 HydrophobicContact CD2-CD1 3.67Å; L427-L431 HydrophobicContact CD2-CG 4.18Å; L427-L431 WeakPolarHBondContact O-CB 3.4Å; L427-L431 VanDerWaalsContact O-CG 3.27Å; L427-L431 WeakPolarHBondContact O-CG 3.31Å; L427-L431 PolarHBondContact O-N 3.22Å
428A75.9Confident70.8Confident8 Ų860 Ų607%0.06633%0.334CS..Hα-helixtrans-69-35.3172.900000111.7F417 I424 P425 L431 A432F417-A428 HydrophobicContact CB-CB 3.78Å; F417-A428 HydrophobicContact CD1-CB 4.47Å; F417-A428 HydrophobicContact CD2-CB 4.39Å; F417-A428 HydrophobicContact CG-CB 4Å; I424-A428 HydrophobicContact CG2-CB 3.92Å; P425-A428 HydrophobicContact CG-CB 3.84Å; P425-A428 WeakPolarHBondContact O-CA 3.49Å; P425-A428 WeakPolarHBondContact O-CB 3.35Å; P425-A428 PolarHBondContact O-N 2.8Å; A428-L431 PolarHBondContact O-N 3.43Å; A428-A432 VanDerWaalsContact O-CB 3.28Å; A428-A432 WeakPolarHBondContact O-CB 3.43Å; A428-A432 PolarHBondContact O-N 3.18Å
429E74.5Confident71.6Confident17 Ų1759 Ų598%0.07933%0.329CS..Hα-helixtrans-64.8-42.3173.7-59.8-157.712800112.7R414 I424 P425 L426 A432 G433 P500R414-E429 IonicContact CZ-OE1 2.55Å; R414-E429 IonicContact NH1-OE1 3.05Å; R414-E429 PolarHBondContact NH1-OE1 3.29Å; R414-E429 IonicContact NH2-OE1 3.78Å; I424-E429 HydrophobicContact CB-CG 4.08Å; I424-E429 HydrophobicContact CG2-CG 3.61Å; P425-E429 PolarHBondContact O-N 2.79Å; P425-E429 VanDerWaalsContact O-N 3.09Å; L426-E429 WeakPolarHBondContact O-CB 3.38Å; L426-E429 PolarHBondContact O-N 3.29Å; E429-A432 PolarHBondContact O-N 3Å; E429-G433 PolarHBondContact O-N 3.42Å; E429-P500 HydrophobicContact CB-CB 4.41Å; E429-P500 HydrophobicContact CB-CG 3.92Å; E429-P500 WeakPolarHBondContact OE2-CA 3.45Å
430I81.7Confident72.9Confident72 Ų7255.7 Ų55.737%0.36931%0.308SS..Hα-helixtrans-63.8-44.1176.1-69.7168.4000110L426 L427 G433 G434 A496 P500L426-I430 HydrophobicContact CD2-CD1 4.42Å; L426-I430 HydrophobicContact CG-CD1 4.07Å; L426-I430 VanDerWaalsContact O-CG1 3.26Å; L426-I430 WeakPolarHBondContact O-CG1 3.26Å; L426-I430 PolarHBondContact O-N 3.42Å; L427-I430 PolarHBondContact O-N 3.05Å; I430-G433 PolarHBondContact O-N 2.79Å; I430-G434 PolarHBondContact O-N 3.04Å; I430-A496 HydrophobicContact CG2-CB 4.01Å; I430-P500 HydrophobicContact CG1-CG 3.76Å
431L82.6Confident74.3Confident97 Ų9746.4 Ų46.451%0.50827%0.265SS..Hα-helixtrans-64.2-42.4176.5-74.7175.1000112.1L427 A428 G433 G434 S435L427-L431 HydrophobicContact CD2-CD1 3.67Å; L427-L431 HydrophobicContact CD2-CG 4.18Å; L427-L431 WeakPolarHBondContact O-CB 3.4Å; L427-L431 VanDerWaalsContact O-CG 3.27Å; L427-L431 WeakPolarHBondContact O-CG 3.31Å; L427-L431 PolarHBondContact O-N 3.22Å; A428-L431 PolarHBondContact O-N 3.43Å; L431-G433 VanDerWaalsContact C-N 3.32Å; L431-G433 PolarHBondContact O-N 3.4Å; L431-G434 PolarHBondContact O-N 3.37Å; L431-S435 WeakPolarHBondContact O-CB 3.46Å; L431-S435 PolarHBondContact O-N 2.85Å; L431-S435 PolarHBondContact O-OG 3.33Å; L431-S435 VanDerWaalsContact O-OG 3.09Å
432A77.7Confident76.1Confident0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-63.5-38174.300000112N410 V413 R414 A428 E429 S435 A436N410-A432 PolarHBondContact ND2-O 3.26Å; V413-A432 HydrophobicContact CB-CB 3.93Å; V413-A432 HydrophobicContact CG1-CB 3.71Å; R414-A432 HydrophobicContact CG-CB 3.82Å; A428-A432 VanDerWaalsContact O-CB 3.28Å; A428-A432 WeakPolarHBondContact O-CB 3.43Å; A428-A432 PolarHBondContact O-N 3.18Å; E429-A432 PolarHBondContact O-N 3Å; A432-S435 WeakPolarHBondContact CA-OG 3.29Å; A432-S435 PolarHBondContact O-OG 2.83Å; A432-S435 VanDerWaalsContact O-OG 3.05Å; A432-A436 WeakPolarHBondContact O-CB 3.34Å; A432-A436 PolarHBondContact O-N 3.47Å
433G78.2Confident77.1Confident0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-67.3-42.2174.200000112.2N410 E429 I430 L431 G437 S495N410-G433 PolarHBondContact ND2-N 3.46Å; E429-G433 PolarHBondContact O-N 3.42Å; I430-G433 PolarHBondContact O-N 2.79Å; L431-G433 VanDerWaalsContact C-N 3.32Å; L431-G433 PolarHBondContact O-N 3.4Å; G433-G437 PolarHBondContact O-N 3.26Å; G433-G437 VanDerWaalsContact O-N 3.07Å; G433-S495 WeakPolarHBondContact O-CB 3.45Å
434G82.6Confident78.1Confident11 Ų1141.1 Ų41.111%0.11323%0.226CC..Hα-helixtrans-66.4-43.5178.700000113.4I430 L431 G437 A438I430-G434 PolarHBondContact O-N 3.04Å; L431-G434 PolarHBondContact O-N 3.37Å; G434-G437 PolarHBondContact O-N 2.82Å; G434-A438 PolarHBondContact O-N 3.47Å
435S82.5Confident78.6Confident36 Ų3639 Ų3925%0.25222%0.216SC..Hα-helixtrans-66.4-37.6177.861.80000112.4L431 A432 A438 S439L431-S435 WeakPolarHBondContact O-CB 3.46Å; L431-S435 PolarHBondContact O-N 2.85Å; L431-S435 PolarHBondContact O-OG 3.33Å; L431-S435 VanDerWaalsContact O-OG 3.09Å; A432-S435 WeakPolarHBondContact CA-OG 3.29Å; A432-S435 PolarHBondContact O-OG 2.83Å; A432-S435 VanDerWaalsContact O-OG 3.05Å; S435-A438 PolarHBondContact O-N 2.86Å; S435-S439 WeakPolarHBondContact O-CB 3.39Å; S435-S439 PolarHBondContact O-N 2.87Å; S435-S439 PolarHBondContact O-OG 3.16Å
436A78.4Confident78.4Confident0 Ų036.8 Ų36.80%020%0.201CC..Hα-helixtrans-61.8-45.5171.500000111.9K406 V409 N410 A432 S439 Q440 F499K406-A436 HydrophobicContact CG-CB 4.21Å; K406-A436 WeakPolarHBondContact O-CB 3.47Å; V409-A436 HydrophobicContact CB-CB 4.32Å; V409-A436 HydrophobicContact CG1-CB 4.3Å; N410-A436 HydrophobicContact CB-CB 3.97Å; A432-A436 WeakPolarHBondContact O-CB 3.34Å; A432-A436 PolarHBondContact O-N 3.47Å; A436-S439 PolarHBondContact O-N 3.42Å; A436-Q440 WeakPolarHBondContact O-CB 3.24Å; A436-Q440 PolarHBondContact O-N 3.45Å; A436-F499 HydrophobicContact CB-CE2 4.31Å
437G79.5Confident78.4Confident0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-62.1-42.317600000113.1G433 G434 V441G433-G437 PolarHBondContact O-N 3.26Å; G433-G437 VanDerWaalsContact O-N 3.07Å; G434-G437 PolarHBondContact O-N 2.82Å; G437-V441 WeakPolarHBondContact O-CG2 3.15Å; G437-V441 PolarHBondContact O-N 2.94Å
438A83.8Confident78.1Confident26 Ų2632 Ų3222%0.21518%0.175CC..Hα-helixtrans-64.6-45.2177.100000112G434 S435 Q440 V441 I442 F488 I492G434-A438 PolarHBondContact O-N 3.47Å; S435-A438 PolarHBondContact O-N 2.86Å; A438-Q440 VanDerWaalsContact C-N 3.35Å; A438-Q440 PolarHBondContact O-N 3.39Å; A438-V441 PolarHBondContact O-N 2.78Å; A438-I442 PolarHBondContact O-N 3.49Å; A438-F488 HydrophobicContact CB-CD1 4.47Å; A438-F488 HydrophobicContact CB-CE1 4.25Å; A438-F488 WeakPolarHBondContact O-CE1 3.28Å; A438-I492 HydrophobicContact CB-CD1 3.91Å; A438-I492 HydrophobicContact CB-CG1 3.97Å
439S82.3Confident77.8Confident33 Ų3331.8 Ų31.823%0.23117%0.173CC..Hα-helixtrans-64-41.5179.7-57.60000111.4S435 A436 V441 I442 F443S435-S439 WeakPolarHBondContact O-CB 3.39Å; S435-S439 PolarHBondContact O-N 2.87Å; S435-S439 PolarHBondContact O-OG 3.16Å; A436-S439 PolarHBondContact O-N 3.42Å; S439-V441 PolarHBondContact O-N 2.84Å; S439-I442 PolarHBondContact O-N 3.17Å; S439-F443 VanDerWaalsContact O-CD2 3.3Å; S439-F443 WeakPolarHBondContact O-CD2 3.34Å
440Q81.4Confident77.5Confident4 Ų431.8 Ų31.82%0.01917%0.174CC..Hα-helixtrans-54.3-50.7174.8-174.9-147.6-61.700111.5E402 A436 A438 I442 F443 T444E402-Q440 HydrophobicContact CG-CG 4.02Å; A436-Q440 WeakPolarHBondContact O-CB 3.24Å; A436-Q440 PolarHBondContact O-N 3.45Å; A438-Q440 VanDerWaalsContact C-N 3.35Å; A438-Q440 PolarHBondContact O-N 3.39Å; Q440-I442 VanDerWaalsContact C-N 3.29Å; Q440-I442 PolarHBondContact O-N 3.12Å; Q440-F443 PolarHBondContact O-N 3.49Å; Q440-F443 VanDerWaalsContact O-N 3.17Å; Q440-T444 HydrophobicContact CG-CG2 3.88Å; Q440-T444 WeakPolarHBondContact O-CB 3.32Å; Q440-T444 WeakPolarHBondContact O-CG2 3.16Å; Q440-T444 PolarHBondContact O-N 3.47Å; Q440-T444 PolarHBondContact O-OG1 3.03Å
441V78.6Confident76.7Confident1 Ų130.4 Ų30.41%0.00617%0.166CC..Hα-helixtrans-58.7-38.4-175.6172.20000112.5G437 A438 S439 F443 N445 C487 F488 D491G437-V441 WeakPolarHBondContact O-CG2 3.15Å; G437-V441 PolarHBondContact O-N 2.94Å; A438-V441 PolarHBondContact O-N 2.78Å; S439-V441 PolarHBondContact O-N 2.84Å; V441-F443 VanDerWaalsContact C-N 3.26Å; V441-F443 PolarHBondContact O-N 3.41Å; V441-N445 WeakPolarHBondContact O-CB 3.02Å; V441-N445 PolarHBondContact O-N 3.11Å; V441-N445 VanDerWaalsContact O-N 3.11Å; V441-C487 HydrophobicContact CG1-CB 3.58Å; V441-C487 HydrophobicContact CG2-CB 4.12Å; V441-F488 HydrophobicContact CB-CD1 3.91Å; V441-F488 HydrophobicContact CB-CE1 3.78Å; V441-F488 HydrophobicContact CB-CG 4.48Å; V441-F488 HydrophobicContact CB-CZ 4.22Å; V441-F488 HydrophobicContact CG1-CD1 3.87Å; V441-F488 HydrophobicContact CG1-CD2 3.99Å; V441-F488 HydrophobicContact CG1-CE1 3.82Å; V441-F488 HydrophobicContact CG1-CE2 3.92Å; V441-F488 HydrophobicContact CG1-CG 3.97Å; V441-F488 HydrophobicContact CG1-CZ 3.84Å; V441-F488 HydrophobicContact CG2-CD1 4.26Å; V441-D491 HydrophobicContact CG2-CB 3.57Å; V441-D491 VanDerWaalsContact CG2-OD2 3.27Å; V441-D491 WeakPolarHBondContact CG2-OD2 3.45Å
442I81.7Confident75.9Confident80 Ų8027.9 Ų27.941%0.4115%0.152SC..Hα-helixtrans-59.3-40.5-178.9-67.9163.8000111.3A438 S439 Q440 Y481 F488A438-I442 PolarHBondContact O-N 3.49Å; S439-I442 PolarHBondContact O-N 3.17Å; Q440-I442 VanDerWaalsContact C-N 3.29Å; Q440-I442 PolarHBondContact O-N 3.12Å; I442-Y481 PolarHBondContact O-OH 2.94Å; I442-Y481 VanDerWaalsContact O-OH 3.11Å; I442-F488 HydrophobicContact CG1-CE1 4.27Å; I442-F488 HydrophobicContact CG1-CZ 3.82Å
443F75.4Confident75.3Confident133 Ų13331.8 Ų31.858%0.58317%0.167SC*.Hα-helixtrans-92.7-33.3-175.9-68.3-76.9000113.5I405 S439 Q440 V441I405-F443 HydrophobicContact CD1-CB 3.43Å; I405-F443 VanDerWaalsContact CD1-CB 3.43Å; I405-F443 HydrophobicContact CD1-CD2 3.93Å; I405-F443 HydrophobicContact CD1-CG 3.77Å; I405-F443 HydrophobicContact CG2-CD2 4.25Å; S439-F443 VanDerWaalsContact O-CD2 3.3Å; S439-F443 WeakPolarHBondContact O-CD2 3.34Å; Q440-F443 PolarHBondContact O-N 3.49Å; Q440-F443 VanDerWaalsContact O-N 3.17Å; V441-F443 VanDerWaalsContact C-N 3.26Å; V441-F443 PolarHBondContact O-N 3.41Å
444T74.9Confident74.5Confident5 Ų534.1 Ų34.13%0.03118%0.179CC..Hα-helixtrans-87.7-19-175.3630000113.4E402 Q440 L447 E448E402-T444 HydrophobicContact CB-CG2 4Å; E402-T444 HydrophobicContact CG-CG2 4.17Å; Q440-T444 HydrophobicContact CG-CG2 3.88Å; Q440-T444 WeakPolarHBondContact O-CB 3.32Å; Q440-T444 WeakPolarHBondContact O-CG2 3.16Å; Q440-T444 PolarHBondContact O-N 3.47Å; Q440-T444 PolarHBondContact O-OG1 3.03Å; T444-L447 WeakPolarHBondContact O-CB 3.46Å; T444-L447 PolarHBondContact O-N 2.84Å; T444-E448 WeakPolarHBondContact O-CG 3.49Å; T444-E448 PolarHBondContact O-N 3.42Å
445N74.6Confident73.1Confident1 Ų137 Ų371%0.00519%0.19CC..Hα-helixtrans-60.5-41.8-174.4-176.980.7000114.1V441 L447 E448 I449 L480 Y481 C487V441-N445 WeakPolarHBondContact O-CB 3.02Å; V441-N445 PolarHBondContact O-N 3.11Å; V441-N445 VanDerWaalsContact O-N 3.11Å; N445-L447 VanDerWaalsContact C-N 3.31Å; N445-L447 PolarHBondContact O-N 3.37Å; N445-E448 PolarHBondContact O-N 3.04Å; N445-I449 PolarHBondContact O-N 2.95Å; N445-I449 VanDerWaalsContact O-N 3.09Å; N445-L480 PolarHBondContact ND2-O 3.16Å; N445-Y481 WeakPolarHBondContact ND2-CA 3.4Å; N445-C487 PolarHBondContact OD1-SG 2.87Å
446P73.8Confident71.8Confident29 Ų2937.2 Ų37.219%0.18819%0.189CC..Hα-helixtrans-62.2-33.5172.1-24.535.7000114I449 V450 L480 Y481P446-I449 VanDerWaalsContact O-CG2 3.32Å; P446-I449 WeakPolarHBondContact O-CG2 3.36Å; P446-V450 VanDerWaalsContact O-CG2 3.27Å; P446-V450 WeakPolarHBondContact O-CG2 3.45Å; P446-V450 PolarHBondContact O-N 3.47Å; P446-L480 HydrophobicContact CB-CB 4.36Å; P446-L480 HydrophobicContact CB-CD1 4.48Å; P446-Y481 HydrophobicContact CG-CE1 4.46Å; P446-Y481 HydrophobicContact CG-CE2 4.16Å
447L70.8Confident70.6Confident89 Ų8938.6 Ų38.647%0.46620%0.201SC..Hα-helixtrans-73.3-41176.8-65172.3000111.3T444 N445 K451T444-L447 WeakPolarHBondContact O-CB 3.46Å; T444-L447 PolarHBondContact O-N 2.84Å; N445-L447 VanDerWaalsContact C-N 3.31Å; N445-L447 PolarHBondContact O-N 3.37Å; L447-K451 VanDerWaalsContact O-CB 3.31Å; L447-K451 WeakPolarHBondContact O-CB 3.32Å; L447-K451 PolarHBondContact O-N 2.93Å
448E68.5Low69.1Low29 Ų2941.6 Ų41.614%0.13623%0.231CC..Hα-helixtrans-63-45.2178.6-75.6-169.1147.300112T444 N445 V450 K451 I452 R490 K546T444-E448 WeakPolarHBondContact O-CG 3.49Å; T444-E448 PolarHBondContact O-N 3.42Å; N445-E448 PolarHBondContact O-N 3.04Å; E448-V450 PolarHBondContact O-N 2.77Å; E448-K451 PolarHBondContact O-N 3.01Å; E448-I452 VanDerWaalsContact O-CG1 3.24Å; E448-I452 WeakPolarHBondContact O-CG1 3.33Å; E448-I452 PolarHBondContact O-N 3.06Å; E448-R490 IonicContact OE1-CZ 3.69Å; E448-R490 IonicContact OE1-NH1 2.97Å; E448-R490 IonicContact OE1-NH2 2.64Å; E448-R490 PolarHBondContact OE1-NH2 2.93Å; E448-R490 IonicContact OE2-NH2 3.62Å; E448-K546 IonicContact OE1-NZ 3.18Å; E448-K546 IonicContact OE2-NZ 2.63Å; E448-K546 PolarHBondContact OE2-NZ 3.32Å
449I69.8Low67.4Low4 Ų444.5 Ų44.52%0.02124%0.241CC..Hα-helixtrans-65.8-39.7-178.8-165.9170.4000111.9N445 P446 I452 R453 L475 G479 L480N445-I449 PolarHBondContact O-N 2.95Å; N445-I449 VanDerWaalsContact O-N 3.09Å; P446-I449 VanDerWaalsContact O-CG2 3.32Å; P446-I449 WeakPolarHBondContact O-CG2 3.36Å; I449-I452 PolarHBondContact O-N 3.26Å; I449-R453 WeakPolarHBondContact O-CB 3.49Å; I449-R453 WeakPolarHBondContact O-CG 3.33Å; I449-R453 PolarHBondContact O-N 3.48Å; I449-L475 HydrophobicContact CD1-CD1 4.25Å; I449-L475 HydrophobicContact CD1-CD2 4.37Å; I449-L475 HydrophobicContact CG1-CD1 4.45Å; I449-G479 WeakPolarHBondContact CD1-O 3.46Å; I449-L480 HydrophobicContact CG2-CB 4.49Å; I449-L480 HydrophobicContact CG2-CD2 3.64Å
450V67.8Low65.8Low18 Ų1846.6 Ų46.611%0.10925%0.248CC..Hα-helixtrans-64-45.7176.1171.20000110.4P446 E448 R453 L454 A468 V471 I472 L480P446-V450 VanDerWaalsContact O-CG2 3.27Å; P446-V450 WeakPolarHBondContact O-CG2 3.45Å; P446-V450 PolarHBondContact O-N 3.47Å; E448-V450 PolarHBondContact O-N 2.77Å; V450-R453 PolarHBondContact O-N 2.87Å; V450-L454 HydrophobicContact CG1-CD1 3.85Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 WeakPolarHBondContact O-CB 3.29Å; V450-L454 VanDerWaalsContact O-CG 3.3Å; V450-L454 WeakPolarHBondContact O-CG 3.45Å; V450-L454 PolarHBondContact O-N 2.84Å; V450-A468 HydrophobicContact CG1-CB 3.74Å; V450-V471 HydrophobicContact CG2-CG1 4.23Å; V450-I472 HydrophobicContact CG2-CD1 4.38Å; V450-I472 HydrophobicContact CG2-CG1 3.87Å; V450-L480 HydrophobicContact CG2-CD2 4.17Å
451K66.4Low64Low43 Ų4353.1 Ų53.119%0.18729%0.288CS..Hα-helixtrans-60.5-46.9177.3176.7-177.8169.9-169.40112.5L447 E448 R453 L454 Q455L447-K451 VanDerWaalsContact O-CB 3.31Å; L447-K451 WeakPolarHBondContact O-CB 3.32Å; L447-K451 PolarHBondContact O-N 2.93Å; E448-K451 PolarHBondContact O-N 3.01Å; K451-R453 VanDerWaalsContact C-N 3.34Å; K451-R453 PolarHBondContact O-N 2.7Å; K451-L454 PolarHBondContact O-N 2.68Å; K451-Q455 WeakPolarHBondContact O-CB 3.39Å; K451-Q455 WeakPolarHBondContact O-CG 3.28Å; K451-Q455 PolarHBondContact O-N 2.94Å
452I64.3Low62.2Low44 Ų4459.5 Ų59.523%0.22633%0.328CS..Hα-helixtrans-61.5-43.8178.6-68.7165.2000110.3E448 I449 L454 Q455 V456 Q550E448-I452 VanDerWaalsContact O-CG1 3.24Å; E448-I452 WeakPolarHBondContact O-CG1 3.33Å; E448-I452 PolarHBondContact O-N 3.06Å; I449-I452 PolarHBondContact O-N 3.26Å; I452-L454 PolarHBondContact O-N 3.15Å; I452-Q455 PolarHBondContact O-N 3.42Å; I452-V456 HydrophobicContact CG2-CG2 4.47Å; I452-V456 VanDerWaalsContact O-CG2 3.29Å; I452-V456 WeakPolarHBondContact O-CG2 3.41Å; I452-V456 PolarHBondContact O-N 2.89Å; I452-Q550 VanDerWaalsContact CD1-OE1 3.24Å
453R65.4Low60.7Low82 Ų8257.9 Ų57.931%0.30933%0.331SS..Hα-helixtrans-63.5-41.7178.6-72.4-78.7173.5153.4-2.4112.6I449 V450 K451 A457 V471I449-R453 WeakPolarHBondContact O-CB 3.49Å; I449-R453 WeakPolarHBondContact O-CG 3.33Å; I449-R453 PolarHBondContact O-N 3.48Å; V450-R453 PolarHBondContact O-N 2.87Å; K451-R453 VanDerWaalsContact C-N 3.34Å; K451-R453 PolarHBondContact O-N 2.7Å; R453-A457 VanDerWaalsContact O-CB 3.3Å; R453-A457 WeakPolarHBondContact O-CB 3.39Å; R453-A457 PolarHBondContact O-N 2.75Å; R453-V471 HydrophobicContact CB-CG1 3.95Å; R453-V471 HydrophobicContact CB-CG2 4.29Å; R453-V471 HydrophobicContact CG-CG1 4.07Å
454L62.1Low59.2Low48 Ų4857.4 Ų57.425%0.25134%0.341SS..Hα-helixtrans-67.5-39.1176.9-70.7171.7000112.4V450 K451 I452 A457 G458 V466 A468V450-L454 HydrophobicContact CG1-CD1 3.85Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 WeakPolarHBondContact O-CB 3.29Å; V450-L454 VanDerWaalsContact O-CG 3.3Å; V450-L454 WeakPolarHBondContact O-CG 3.45Å; V450-L454 PolarHBondContact O-N 2.84Å; K451-L454 PolarHBondContact O-N 2.68Å; I452-L454 PolarHBondContact O-N 3.15Å; L454-A457 PolarHBondContact O-N 3.41Å; L454-G458 PolarHBondContact O-N 3.23Å; L454-V466 HydrophobicContact CD2-CB 4.5Å; L454-V466 HydrophobicContact CD2-CG1 4.41Å; L454-V466 WeakPolarHBondContact CD2-O 3.44Å; L454-A468 HydrophobicContact CD1-CB 4.13Å
455Q53Low58.1Low72 Ų7268.6 Ų68.634%0.33638%0.383SS..Hα-helixtrans-65.9-40.9176.8-75.1178-12.200112K451 I452 G458K451-Q455 WeakPolarHBondContact O-CB 3.39Å; K451-Q455 WeakPolarHBondContact O-CG 3.28Å; K451-Q455 PolarHBondContact O-N 2.94Å; I452-Q455 PolarHBondContact O-N 3.42Å; Q455-G458 PolarHBondContact O-N 3.42Å
456V55.6Low57.3Low41 Ų4171.7 Ų71.725%0.24840%0.402CS..Hα-helixtrans-72.4-34.8177.6174.60000112I452 G458 E459I452-V456 HydrophobicContact CG2-CG2 4.47Å; I452-V456 VanDerWaalsContact O-CG2 3.29Å; I452-V456 WeakPolarHBondContact O-CG2 3.41Å; I452-V456 PolarHBondContact O-N 2.89Å; V456-G458 VanDerWaalsContact C-N 3.28Å; V456-G458 PolarHBondContact O-N 3.41Å; V456-E459 PolarHBondContact O-N 2.92Å
457A52.8Low56.8Low29 Ų2972.8 Ų72.824%0.2441%0.41CS..Hα-helixtrans-65.9-30.3176.600000112.8R453 L454 E459 I460 V466R453-A457 VanDerWaalsContact O-CB 3.3Å; R453-A457 WeakPolarHBondContact O-CB 3.39Å; R453-A457 PolarHBondContact O-N 2.75Å; L454-A457 PolarHBondContact O-N 3.41Å; A457-E459 PolarHBondContact O-N 2.97Å; A457-I460 PolarHBondContact O-N 3.03Å; A457-V466 HydrophobicContact CB-CB 4.03Å; A457-V466 HydrophobicContact CB-CG2 3.78Å
458G47.8Very low56.4Low62 Ų6270.3 Ų70.364%0.63940%0.402SS*.THydrogen-bonded Turntrans-67.1-13.117900000115.6L454 Q455 V456L454-G458 PolarHBondContact O-N 3.23Å; Q455-G458 PolarHBondContact O-N 3.42Å; V456-G458 VanDerWaalsContact C-N 3.28Å; V456-G458 PolarHBondContact O-N 3.41Å
459E49.1Very low56.4Low88 Ų8875 Ų7541%0.41143%0.428SS..THydrogen-bonded Turntrans-82.2-16.5175.3-72.3-176.7-177.900113.7N356 V456 A457 T461N356-E459 WeakPolarHBondContact CB-OE1 3.4Å; N356-E459 PolarHBondContact ND2-OE1 3.3Å; N356-E459 PolarHBondContact ND2-OE2 3.08Å; V456-E459 PolarHBondContact O-N 2.92Å; A457-E459 PolarHBondContact O-N 2.97Å; E459-T461 PolarHBondContact O-N 3.05Å
460I48Very low56.3Low76 Ų7678.9 Ų78.939%0.3945%0.448SS..  trans-96.491.5178.9-46.7172.7000107.2A457 T462A457-I460 PolarHBondContact O-N 3.03Å; I460-T462 PolarHBondContact O-N 2.98Å
461T43.5Very low56.4Low141 Ų14178.4 Ų78.487%0.86545%0.445SS*.THydrogen-bonded Turntrans-63.4-2.7-178.312.10000114.7E459E459-T461 PolarHBondContact O-N 3.05Å
462T41.3Very low56.6Low136 Ų13680.1 Ų80.183%0.83446%0.456SS*.THydrogen-bonded Turntrans-120.316-170.444.90000115.3I460I460-T462 PolarHBondContact O-N 2.98Å
463G48.9Very low57.1Low46 Ų4688.4 Ų88.447%0.47448%0.484SS..SBendtrans-117161178.300000114.8
464P44.8Very low57.4Low123 Ų12390.9 Ų90.980%0.79950%0.503SS*.  trans-60.1142.8175.324.9-31.7000110.5V466P464-V466 PolarHBondContact O-N 2.73Å
465R52.7Low57.6Low240 Ų24090.6 Ų90.691%0.90650%0.502SS*.  trans-55.4107.6179.2-80.5-177.4165.3159.6-3109.9S467R465-S467 PolarHBondContact O-N 2.56Å
466V57.3Low58.6Low66 Ų6688.7 Ų88.740%0.450%0.502SS..  trans-69.9117.7176.8-174.50000108L454 A457 P464 V471L454-V466 HydrophobicContact CD2-CB 4.5Å; L454-V466 HydrophobicContact CD2-CG1 4.41Å; L454-V466 WeakPolarHBondContact CD2-O 3.44Å; A457-V466 HydrophobicContact CB-CB 4.03Å; A457-V466 HydrophobicContact CB-CG2 3.78Å; P464-V466 PolarHBondContact O-N 2.73Å; V466-V471 HydrophobicContact CG1-CG2 3.53Å
467S63.3Low59.4Low52 Ų5294.2 Ų94.236%0.36452%0.523SS..  trans-91147.7175.9178.90000110.7R465 L469 N470 V471R465-S467 PolarHBondContact O-N 2.56Å; S467-L469 PolarHBondContact O-N 3.15Å; S467-N470 PolarHBondContact O-N 2.59Å; S467-V471 PolarHBondContact O-N 3.39Å; S467-V471 VanDerWaalsContact O-N 3.16Å
468A62.9Low60.2Low36 Ų36100.1 Ų100.130%0.29855%0.549SS..Hα-helixtrans-52.8-37.4174.500000112.4V450 L454 V471 I472V450-A468 HydrophobicContact CG1-CB 3.74Å; L454-A468 HydrophobicContact CD1-CB 4.13Å; A468-V471 PolarHBondContact O-N 3.23Å; A468-I472 VanDerWaalsContact O-CG1 3.28Å; A468-I472 WeakPolarHBondContact O-CG1 3.42Å; A468-I472 PolarHBondContact O-N 3.3Å
469L66.9Low61.1Low129 Ų12997.9 Ų97.968%0.67553%0.526SS*.Hα-helixtrans-65.7-37.2177.7-83.1144.7000112.8S467 I472 R473S467-L469 PolarHBondContact O-N 3.15Å; L469-I472 PolarHBondContact O-N 3.05Å; L469-R473 WeakPolarHBondContact O-CB 3.24Å; L469-R473 PolarHBondContact O-N 3.22Å
470N69.5Low62.2Low84 Ų8494.5 Ų94.545%0.44951%0.511SS..Hα-helixtrans-69.2-41.3177.1-64.5-4.8000110S467 I472 R473 D474S467-N470 PolarHBondContact O-N 2.59Å; N470-I472 VanDerWaalsContact C-N 3.35Å; N470-I472 PolarHBondContact O-N 3.37Å; N470-R473 PolarHBondContact O-N 2.69Å; N470-D474 WeakPolarHBondContact O-CB 3.37Å; N470-D474 PolarHBondContact O-N 3.12Å
471V68.1Low63.4Low8 Ų894.9 Ų94.95%0.04851%0.508CS..Hα-helixtrans-60.7-43.6175.8177.10000111.6V450 R453 V466 S467 A468 R473 D474 L475V450-V471 HydrophobicContact CG2-CG1 4.23Å; R453-V471 HydrophobicContact CB-CG1 3.95Å; R453-V471 HydrophobicContact CB-CG2 4.29Å; R453-V471 HydrophobicContact CG-CG1 4.07Å; V466-V471 HydrophobicContact CG1-CG2 3.53Å; S467-V471 PolarHBondContact O-N 3.39Å; S467-V471 VanDerWaalsContact O-N 3.16Å; A468-V471 PolarHBondContact O-N 3.23Å; V471-R473 VanDerWaalsContact C-N 3.34Å; V471-D474 PolarHBondContact O-N 3.2Å; V471-L475 HydrophobicContact CG1-CD1 3.54Å; V471-L475 WeakPolarHBondContact O-CB 3.3Å; V471-L475 WeakPolarHBondContact O-CD1 3.44Å; V471-L475 PolarHBondContact O-N 3.26Å
472I72.3Confident64.4Low79 Ų7994.1 Ų94.141%0.40549%0.493SS..Hα-helixtrans-64.1-41.6176.9-69164.3000110.9V450 A468 L469 N470 G476 L480V450-I472 HydrophobicContact CG2-CD1 4.38Å; V450-I472 HydrophobicContact CG2-CG1 3.87Å; A468-I472 VanDerWaalsContact O-CG1 3.28Å; A468-I472 WeakPolarHBondContact O-CG1 3.42Å; A468-I472 PolarHBondContact O-N 3.3Å; L469-I472 PolarHBondContact O-N 3.05Å; N470-I472 VanDerWaalsContact C-N 3.35Å; N470-I472 PolarHBondContact O-N 3.37Å; I472-G476 PolarHBondContact O-N 2.86Å; I472-L480 HydrophobicContact CG1-CD2 4.4Å; I472-L480 HydrophobicContact CG2-CD1 4.38Å
473R73.6Confident65.6Low218 Ų21888.1 Ų88.182%0.82346%0.458SS*.Hα-helixtrans-68.5-36.5178.8-169.3173.9180145.20.1112.6L469 N470 V471L469-R473 WeakPolarHBondContact O-CB 3.24Å; L469-R473 PolarHBondContact O-N 3.22Å; N470-R473 PolarHBondContact O-N 2.69Å; V471-R473 VanDerWaalsContact C-N 3.34Å
474D72Confident66.6Low134 Ų13486.5 Ų86.572%0.71744%0.44SS*.Hα-helixtrans-76.1-34.1-178.8-67.2-17.7000112.6N470 V471N470-D474 WeakPolarHBondContact O-CB 3.37Å; N470-D474 PolarHBondContact O-N 3.12Å; V471-D474 PolarHBondContact O-N 3.2Å
475L66.9Low68Low43 Ų4389 Ų8923%0.22544%0.438CS..Hα-helixtrans-86.8-31-179.5-79.2153.1000113.1I449 V471 G479I449-L475 HydrophobicContact CD1-CD1 4.25Å; I449-L475 HydrophobicContact CD1-CD2 4.37Å; I449-L475 HydrophobicContact CG1-CD1 4.45Å; V471-L475 HydrophobicContact CG1-CD1 3.54Å; V471-L475 WeakPolarHBondContact O-CB 3.3Å; V471-L475 WeakPolarHBondContact O-CD1 3.44Å; V471-L475 PolarHBondContact O-N 3.26Å; L475-G479 VanDerWaalsContact O-CA 3.25Å; L475-G479 WeakPolarHBondContact O-CA 3.44Å; L475-G479 PolarHBondContact O-N 3.33Å
476G73.3Confident68.7Low32 Ų3277.6 Ų77.633%0.3340%0.395SS..Hα-helixtrans64.5176.3-171.400000113.6I472 L478 G479 L480I472-G476 PolarHBondContact O-N 2.86Å; G476-L478 PolarHBondContact O-N 3.25Å; G476-G479 PolarHBondContact O-N 3.47Å; G476-L480 WeakPolarHBondContact O-CG 3.43Å; G476-L480 PolarHBondContact O-N 2.97Å; G476-L480 VanDerWaalsContact O-N 3.14Å
477F71.6Confident69.4Low156 Ų15674.4 Ų74.468%0.68438%0.376SS*.Hα-helixtrans-61.3-43.1-173.3-172.1-100.5000113.3Y481F477-Y481 HydrophobicContact CZ-CE2 4.24Å; F477-Y481 WeakPolarHBondContact O-CD2 3.47Å
478L69.5Low70.1Confident153 Ų15375.1 Ų75.180%0.80137%0.373SS*.Hα-helixtrans-74.5-30.4178.8-71.2166.8000112.8G476 L480 Y481G476-L478 PolarHBondContact O-N 3.25Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-Y481 PolarHBondContact O-N 3.28Å
479G68.6Low70.7Confident15 Ų1577.9 Ų77.916%0.15538%0.382CS..Hα-helixtrans-70.3-29.5176.300000112.9I449 L475 G476 Y481 K482I449-G479 WeakPolarHBondContact CD1-O 3.46Å; L475-G479 VanDerWaalsContact O-CA 3.25Å; L475-G479 WeakPolarHBondContact O-CA 3.44Å; L475-G479 PolarHBondContact O-N 3.33Å; G476-G479 PolarHBondContact O-N 3.47Å; G479-Y481 PolarHBondContact O-N 2.98Å; G479-K482 WeakPolarHBondContact O-CB 3.33Å; G479-K482 PolarHBondContact O-N 3.48Å; G479-K482 VanDerWaalsContact O-N 3.09Å
480L70.7Confident70.9Confident17 Ų1773.6 Ų73.69%0.08936%0.357CS..Hα-helixtrans-63.5-26.9173.3-69.7169.9000112.8N445 P446 I449 V450 I472 G476 L478N445-L480 PolarHBondContact ND2-O 3.16Å; P446-L480 HydrophobicContact CB-CB 4.36Å; P446-L480 HydrophobicContact CB-CD1 4.48Å; I449-L480 HydrophobicContact CG2-CB 4.49Å; I449-L480 HydrophobicContact CG2-CD2 3.64Å; V450-L480 HydrophobicContact CG2-CD2 4.17Å; I472-L480 HydrophobicContact CG1-CD2 4.4Å; I472-L480 HydrophobicContact CG2-CD1 4.38Å; G476-L480 WeakPolarHBondContact O-CG 3.43Å; G476-L480 PolarHBondContact O-N 2.97Å; G476-L480 VanDerWaalsContact O-N 3.14Å; L478-L480 VanDerWaalsContact C-N 3.33Å
481Y73.2Confident71.1Confident85 Ų8570 Ų7033%0.33334%0.338SS..THydrogen-bonded Turntrans-90.62.9175.5-73.6-85.7000114.2I442 N445 P446 F477 L478 G479 G483 A484I442-Y481 PolarHBondContact O-OH 2.94Å; I442-Y481 VanDerWaalsContact O-OH 3.11Å; N445-Y481 WeakPolarHBondContact ND2-CA 3.4Å; P446-Y481 HydrophobicContact CG-CE1 4.46Å; P446-Y481 HydrophobicContact CG-CE2 4.16Å; F477-Y481 HydrophobicContact CZ-CE2 4.24Å; F477-Y481 WeakPolarHBondContact O-CD2 3.47Å; L478-Y481 PolarHBondContact O-N 3.28Å; G479-Y481 PolarHBondContact O-N 2.98Å; Y481-G483 PolarHBondContact O-N 2.86Å; Y481-G483 VanDerWaalsContact O-N 3.12Å; Y481-A484 HydrophobicContact CD1-CB 4.24Å; Y481-A484 VanDerWaalsContact O-CB 3.26Å; Y481-A484 WeakPolarHBondContact O-CB 3.41Å; Y481-A484 PolarHBondContact O-N 3.41Å
482K65.3Low71.7Confident125 Ų12572.5 Ų72.554%0.54335%0.35SS..THydrogen-bonded Turntrans-66.1113.5175.6-163171.2-176.2172.80109.9G479G479-K482 WeakPolarHBondContact O-CB 3.33Å; G479-K482 PolarHBondContact O-N 3.48Å; G479-K482 VanDerWaalsContact O-N 3.09Å
483G65.4Low71.9Confident9 Ų971 Ų719%0.09335%0.345CS..THydrogen-bonded Turntrans101.6-3-175.100000115.3Y481 K485 A486 C487Y481-G483 PolarHBondContact O-N 2.86Å; Y481-G483 VanDerWaalsContact O-N 3.12Å; G483-K485 PolarHBondContact O-N 3.39Å; G483-A486 WeakPolarHBondContact O-CB 3.09Å; G483-A486 PolarHBondContact O-N 2.87Å; G483-C487 PolarHBondContact O-N 2.99Å; G483-C487 VanDerWaalsContact O-N 3.16Å; G483-C487 PolarHBondContact O-SG 3.2Å; G483-C487 VanDerWaalsContact O-SG 3.37Å
484A70.8Confident71.9Confident12 Ų1262.2 Ų62.210%0.09931%0.313CS..Hα-helixtrans-55.8-36.4178.700000113.2Y481 A486 C487 F488Y481-A484 HydrophobicContact CD1-CB 4.24Å; Y481-A484 VanDerWaalsContact O-CB 3.26Å; Y481-A484 WeakPolarHBondContact O-CB 3.41Å; Y481-A484 PolarHBondContact O-N 3.41Å; A484-A486 VanDerWaalsContact C-N 3.28Å; A484-A486 PolarHBondContact O-N 3.39Å; A484-C487 WeakPolarHBondContact O-CA 3.41Å; A484-C487 WeakPolarHBondContact O-CB 3.29Å; A484-C487 PolarHBondContact O-N 3.24Å; A484-F488 HydrophobicContact CB-CE2 4.47Å; A484-F488 WeakPolarHBondContact O-CD2 3.34Å; A484-F488 PolarHBondContact O-N 2.9Å
485K74.8Confident72Confident175 Ų17555.9 Ų55.976%0.76128%0.279SS*.Hα-helixtrans-59.2-37.5175.2-65.4-175.7179.8-177.70112.7G483 L489 V563G483-K485 PolarHBondContact O-N 3.39Å; K485-L489 PolarHBondContact O-N 3.26Å; K485-V563 HydrophobicContact CB-CG2 4.32Å
486A66.8Low72.4Confident1 Ų154.4 Ų54.41%0.00827%0.274CS..Hα-helixtrans-74.7-30.917600000111.7G483 A484 R490 K546 V563G483-A486 WeakPolarHBondContact O-CB 3.09Å; G483-A486 PolarHBondContact O-N 2.87Å; A484-A486 VanDerWaalsContact C-N 3.28Å; A484-A486 PolarHBondContact O-N 3.39Å; A486-R490 WeakPolarHBondContact O-CB 3.41Å; A486-R490 PolarHBondContact O-N 3.23Å; A486-K546 HydrophobicContact CB-CB 3.75Å; A486-K546 HydrophobicContact CB-CG 4.24Å; A486-V563 HydrophobicContact CB-CG2 4.27Å
487C71.4Confident72.4Confident0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-65.8-44.9171.8-550000111.8V441 N445 G483 A484 L489 R490 D491 K546V441-C487 HydrophobicContact CG1-CB 3.58Å; V441-C487 HydrophobicContact CG2-CB 4.12Å; N445-C487 PolarHBondContact OD1-SG 2.87Å; G483-C487 PolarHBondContact O-N 2.99Å; G483-C487 VanDerWaalsContact O-N 3.16Å; G483-C487 PolarHBondContact O-SG 3.2Å; G483-C487 VanDerWaalsContact O-SG 3.37Å; A484-C487 WeakPolarHBondContact O-CA 3.41Å; A484-C487 WeakPolarHBondContact O-CB 3.29Å; A484-C487 PolarHBondContact O-N 3.24Å; C487-L489 PolarHBondContact O-N 3.28Å; C487-R490 WeakPolarHBondContact O-CB 3.42Å; C487-R490 PolarHBondContact O-N 3.48Å; C487-R490 VanDerWaalsContact O-N 3.13Å; C487-D491 WeakPolarHBondContact O-CB 3.34Å; C487-D491 PolarHBondContact O-N 3.49Å; C487-K546 WeakPolarHBondContact SG-CE 3.27Å; C487-K546 PolarHBondContact SG-NZ 3.3Å
488F79.1Confident72.4Confident67 Ų6750.8 Ų50.829%0.29425%0.249SC..Hα-helixtrans-60.2-45.1175.4-77.5-64000112.4A438 V441 I442 A484 R490 I492A438-F488 HydrophobicContact CB-CD1 4.47Å; A438-F488 HydrophobicContact CB-CE1 4.25Å; A438-F488 WeakPolarHBondContact O-CE1 3.28Å; V441-F488 HydrophobicContact CB-CD1 3.91Å; V441-F488 HydrophobicContact CB-CE1 3.78Å; V441-F488 HydrophobicContact CB-CG 4.48Å; V441-F488 HydrophobicContact CB-CZ 4.22Å; V441-F488 HydrophobicContact CG1-CD1 3.87Å; V441-F488 HydrophobicContact CG1-CD2 3.99Å; V441-F488 HydrophobicContact CG1-CE1 3.82Å; V441-F488 HydrophobicContact CG1-CE2 3.92Å; V441-F488 HydrophobicContact CG1-CG 3.97Å; V441-F488 HydrophobicContact CG1-CZ 3.84Å; V441-F488 HydrophobicContact CG2-CD1 4.26Å; I442-F488 HydrophobicContact CG1-CE1 4.27Å; I442-F488 HydrophobicContact CG1-CZ 3.82Å; A484-F488 HydrophobicContact CB-CE2 4.47Å; A484-F488 WeakPolarHBondContact O-CD2 3.34Å; A484-F488 PolarHBondContact O-N 2.9Å; F488-R490 PolarHBondContact O-N 2.99Å; F488-I492 HydrophobicContact CB-CD1 4.22Å; F488-I492 HydrophobicContact CD1-CD1 3.88Å; F488-I492 HydrophobicContact CD1-CG1 4.44Å; F488-I492 WeakPolarHBondContact O-CB 3.05Å; F488-I492 WeakPolarHBondContact O-CG1 3.49Å; F488-I492 PolarHBondContact O-N 3.16Å
489L74.4Confident72.3Confident94 Ų9444.3 Ų44.349%0.49222%0.215SC..Hα-helixtrans-61.9-24.3177.8-170.265.3000112.6K485 C487 P493 A542K485-L489 PolarHBondContact O-N 3.26Å; C487-L489 PolarHBondContact O-N 3.28Å; L489-P493 VanDerWaalsContact O-CD 3.25Å; L489-P493 WeakPolarHBondContact O-CD 3.45Å; L489-P493 VanDerWaalsContact O-CG 3.3Å; L489-P493 WeakPolarHBondContact O-CG 3.43Å; L489-A542 HydrophobicContact CB-CB 4.25Å; L489-A542 HydrophobicContact CD2-CB 3.82Å; L489-A542 HydrophobicContact CG-CB 3.82Å
490R72.3Confident72.3Confident38 Ų3844 Ų4414%0.14321%0.21CC..Hα-helixtrans-88.1-53.1177.9-178.6-16569173.83.4112.6E448 A486 C487 F488 F494 V539 D543E448-R490 IonicContact OE1-CZ 3.69Å; E448-R490 IonicContact OE1-NH1 2.97Å; E448-R490 IonicContact OE1-NH2 2.64Å; E448-R490 PolarHBondContact OE1-NH2 2.93Å; E448-R490 IonicContact OE2-NH2 3.62Å; A486-R490 WeakPolarHBondContact O-CB 3.41Å; A486-R490 PolarHBondContact O-N 3.23Å; C487-R490 WeakPolarHBondContact O-CB 3.42Å; C487-R490 PolarHBondContact O-N 3.48Å; C487-R490 VanDerWaalsContact O-N 3.13Å; F488-R490 PolarHBondContact O-N 2.99Å; R490-F494 WeakPolarHBondContact O-CB 3.43Å; R490-F494 PolarHBondContact O-N 3.36Å; R490-V539 HydrophobicContact CB-CG1 3.98Å; R490-V539 HydrophobicContact CG-CG1 3.34Å; R490-D543 WeakPolarHBondContact CD-OD1 3.44Å; R490-D543 WeakPolarHBondContact CG-OD1 3.35Å
491D73.3Confident72.2Confident10 Ų1045.1 Ų45.15%0.05322%0.217CC..Hα-helixtrans-83-28.7-163.5-68.9-28.5000113.1V441 C487 S495V441-D491 HydrophobicContact CG2-CB 3.57Å; V441-D491 VanDerWaalsContact CG2-OD2 3.27Å; V441-D491 WeakPolarHBondContact CG2-OD2 3.45Å; C487-D491 WeakPolarHBondContact O-CB 3.34Å; C487-D491 PolarHBondContact O-N 3.49Å; D491-S495 VanDerWaalsContact O-CB 3.23Å; D491-S495 WeakPolarHBondContact O-CB 3.44Å; D491-S495 PolarHBondContact O-N 2.9Å; D491-S495 PolarHBondContact O-OG 3.21Å
492I80.8Confident71.7Confident59 Ų5944.3 Ų44.330%0.30321%0.214SC..Hα-helixtrans-66.7-56.4175.2-63.4172000110.2A438 F488 F494 S495 A496A438-I492 HydrophobicContact CB-CD1 3.91Å; A438-I492 HydrophobicContact CB-CG1 3.97Å; F488-I492 HydrophobicContact CB-CD1 4.22Å; F488-I492 HydrophobicContact CD1-CD1 3.88Å; F488-I492 HydrophobicContact CD1-CG1 4.44Å; F488-I492 WeakPolarHBondContact O-CB 3.05Å; F488-I492 WeakPolarHBondContact O-CG1 3.49Å; F488-I492 PolarHBondContact O-N 3.16Å; I492-F494 VanDerWaalsContact C-N 3.33Å; I492-F494 PolarHBondContact O-N 3.31Å; I492-S495 PolarHBondContact O-N 3.44Å; I492-A496 VanDerWaalsContact O-CB 3.23Å; I492-A496 WeakPolarHBondContact O-CB 3.34Å; I492-A496 PolarHBondContact O-N 3.14Å
493P77.1Confident71.6Confident47 Ų4739.4 Ų39.431%0.30520%0.197SC..Hα-helixtrans-66.4-36.3-178.3-20.535.1000112.3L489 S495 I497 V539L489-P493 VanDerWaalsContact O-CD 3.25Å; L489-P493 WeakPolarHBondContact O-CD 3.45Å; L489-P493 VanDerWaalsContact O-CG 3.3Å; L489-P493 WeakPolarHBondContact O-CG 3.43Å; P493-S495 PolarHBondContact O-N 3.18Å; P493-I497 WeakPolarHBondContact O-CG1 3.48Å; P493-I497 PolarHBondContact O-N 2.7Å; P493-V539 HydrophobicContact CB-CG2 4.06Å
494F73.6Confident71.5Confident35 Ų3543.5 Ų43.515%0.15421%0.214CC..Hα-helixtrans-60.4-46.4176-179.8-103.8000111.6R490 I492 Y498 V539 F594R490-F494 WeakPolarHBondContact O-CB 3.43Å; R490-F494 PolarHBondContact O-N 3.36Å; I492-F494 VanDerWaalsContact C-N 3.33Å; I492-F494 PolarHBondContact O-N 3.31Å; F494-Y498 HydrophobicContact CZ-CD2 4.32Å; F494-Y498 WeakPolarHBondContact O-CB 3.42Å; F494-Y498 PolarHBondContact O-N 2.99Å; F494-V539 HydrophobicContact CB-CG2 4.26Å; F494-F594 HydrophobicContact CZ-CZ 4.13Å
495S72.9Confident71.1Confident0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-74.3-36-178-54.30000112.5K406 G433 D491 I492 P493 I497 Y498 F499K406-S495 WeakPolarHBondContact CE-OG 3.49Å; K406-S495 PolarHBondContact NZ-OG 2.86Å; G433-S495 WeakPolarHBondContact O-CB 3.45Å; D491-S495 VanDerWaalsContact O-CB 3.23Å; D491-S495 WeakPolarHBondContact O-CB 3.44Å; D491-S495 PolarHBondContact O-N 2.9Å; D491-S495 PolarHBondContact O-OG 3.21Å; I492-S495 PolarHBondContact O-N 3.44Å; P493-S495 PolarHBondContact O-N 3.18Å; S495-I497 VanDerWaalsContact C-N 3.26Å; S495-I497 PolarHBondContact O-N 2.61Å; S495-Y498 PolarHBondContact O-N 3.12Å; S495-F499 WeakPolarHBondContact O-CD2 3.48Å; S495-F499 PolarHBondContact O-N 2.8Å
496A76.4Confident70.3Confident13 Ų1337.2 Ų37.211%0.10719%0.185CC..Hα-helixtrans-62.2-31.9176.300000112.9I430 I492 P500I430-A496 HydrophobicContact CG2-CB 4.01Å; I492-A496 VanDerWaalsContact O-CB 3.23Å; I492-A496 WeakPolarHBondContact O-CB 3.34Å; I492-A496 PolarHBondContact O-N 3.14Å; A496-P500 WeakPolarHBondContact O-CD 3.41Å; A496-P500 VanDerWaalsContact O-CG 3.28Å; A496-P500 WeakPolarHBondContact O-CG 3.41Å
497I73.4Confident70Confident52 Ų5244 Ų4427%0.26722%0.217SC..Hα-helixtrans-90-38.2176-58.8165.1000111.4P493 S495 F499 P500 V501 A535 L538P493-I497 WeakPolarHBondContact O-CG1 3.48Å; P493-I497 PolarHBondContact O-N 2.7Å; S495-I497 VanDerWaalsContact C-N 3.26Å; S495-I497 PolarHBondContact O-N 2.61Å; I497-F499 PolarHBondContact O-N 3.02Å; I497-P500 WeakPolarHBondContact O-CD 3.45Å; I497-V501 HydrophobicContact CG2-CG2 3.91Å; I497-V501 WeakPolarHBondContact O-CB 3.35Å; I497-V501 WeakPolarHBondContact O-CG2 3.28Å; I497-V501 PolarHBondContact O-N 3.17Å; I497-A535 HydrophobicContact CB-CB 3.91Å; I497-A535 HydrophobicContact CD1-CB 3.82Å; I497-A535 HydrophobicContact CG1-CB 4.49Å; I497-A535 HydrophobicContact CG2-CB 3.73Å; I497-L538 HydrophobicContact CD1-CD1 3.97Å
498Y70.2Confident69.5Low59 Ų5948.1 Ų48.123%0.23125%0.251CS..Hα-helixtrans-60.5-47.3-174.8176-97.4000113.1F494 S495 Y502 F594F494-Y498 HydrophobicContact CZ-CD2 4.32Å; F494-Y498 WeakPolarHBondContact O-CB 3.42Å; F494-Y498 PolarHBondContact O-N 2.99Å; S495-Y498 PolarHBondContact O-N 3.12Å; Y498-Y502 WeakPolarHBondContact O-CB 3.42Å; Y498-Y502 PolarHBondContact O-N 3.22Å; Y498-F594 HydrophobicContact CE2-CD1 4.16Å; Y498-F594 AromaticContact CE2-CE1 3.76Å; Y498-F594 HydrophobicContact CE2-CE1 3.76Å; Y498-F594 HydrophobicContact CE2-CE2 4.36Å; Y498-F594 AromaticContact CE2-CZ 3.89Å; Y498-F594 HydrophobicContact CE2-CZ 3.89Å; Y498-F594 AromaticContact CZ-CE1 3.88Å
499F67.7Low68.3Low17 Ų1747.1 Ų47.18%0.07525%0.248CC..Hα-helixtrans-68.8-45.3-174-79.1-70000114.1K406 L407 N410 A436 S495 I497 Y502 A503K406-F499 HydrophobicContact CD-CE2 4.34Å; K406-F499 HydrophobicContact CD-CZ 4.35Å; K406-F499 HydrophobicContact CG-CE2 4.07Å; K406-F499 HydrophobicContact CG-CZ 4.02Å; L407-F499 HydrophobicContact CD2-CE1 4.27Å; L407-F499 HydrophobicContact CD2-CZ 4.45Å; N410-F499 HydrophobicContact CB-CE1 4.32Å; N410-F499 HydrophobicContact CB-CE2 4.18Å; N410-F499 HydrophobicContact CB-CZ 3.93Å; A436-F499 HydrophobicContact CB-CE2 4.31Å; S495-F499 WeakPolarHBondContact O-CD2 3.48Å; S495-F499 PolarHBondContact O-N 2.8Å; I497-F499 PolarHBondContact O-N 3.02Å; F499-Y502 PolarHBondContact O-N 2.82Å; F499-A503 PolarHBondContact O-N 3.22Å
500P69.3Low67.3Low8 Ų844.8 Ų44.85%0.05224%0.243CC..Hα-helixtrans-65.1-43.4174.8-22.432.5000112.9L426 E429 I430 A496 I497 Y502 A503 H504L426-P500 HydrophobicContact CD1-CB 3.93Å; E429-P500 HydrophobicContact CB-CB 4.41Å; E429-P500 HydrophobicContact CB-CG 3.92Å; E429-P500 WeakPolarHBondContact OE2-CA 3.45Å; I430-P500 HydrophobicContact CG1-CG 3.76Å; A496-P500 WeakPolarHBondContact O-CD 3.41Å; A496-P500 VanDerWaalsContact O-CG 3.28Å; A496-P500 WeakPolarHBondContact O-CG 3.41Å; I497-P500 WeakPolarHBondContact O-CD 3.45Å; P500-Y502 VanDerWaalsContact C-N 3.27Å; P500-Y502 PolarHBondContact O-N 2.88Å; P500-A503 PolarHBondContact O-N 3.33Å; P500-H504 PolarHBondContact O-CD2 3.31Å; P500-H504 VanDerWaalsContact O-CD2 3.23Å; P500-H504 PolarHBondContact O-N 3.39Å
501V67.8Low66.1Low41 Ų4147.1 Ų47.125%0.24826%0.258CS..Hα-helixtrans-59.9-43.2175.8172.30000109.8I497 A503 H504 T505 Q531I497-V501 HydrophobicContact CG2-CG2 3.91Å; I497-V501 WeakPolarHBondContact O-CB 3.35Å; I497-V501 WeakPolarHBondContact O-CG2 3.28Å; I497-V501 PolarHBondContact O-N 3.17Å; V501-A503 PolarHBondContact O-N 3.39Å; V501-H504 PolarHBondContact O-N 2.8Å; V501-T505 VanDerWaalsContact O-CB 3.24Å; V501-T505 WeakPolarHBondContact O-CB 3.42Å; V501-T505 PolarHBondContact O-N 3.28Å; V501-T505 PolarHBondContact O-OG1 2.83Å; V501-Q531 HydrophobicContact CG1-CB 4.39Å
502Y62.2Low64.5Low69 Ų6956.3 Ų56.327%0.27130%0.3SS..Hα-helixtrans-59.7-46.2175.2175.8-103.3000112.7Y498 F499 P500 K506 L598Y498-Y502 WeakPolarHBondContact O-CB 3.42Å; Y498-Y502 PolarHBondContact O-N 3.22Å; F499-Y502 PolarHBondContact O-N 2.82Å; P500-Y502 VanDerWaalsContact C-N 3.27Å; P500-Y502 PolarHBondContact O-N 2.88Å; Y502-K506 VanDerWaalsContact O-CB 3.22Å; Y502-K506 WeakPolarHBondContact O-CB 3.5Å; Y502-K506 PolarHBondContact O-N 2.88Å; Y502-L598 HydrophobicContact CE2-CD1 4.28Å; Y502-L598 HydrophobicContact CE2-CD2 3.86Å
503A63.4Low62.3Low22 Ų2258.4 Ų58.418%0.18231%0.312CS..Hα-helixtrans-61-47.3179.400000111.9F499 P500 V501 K506 Q507F499-A503 PolarHBondContact O-N 3.22Å; P500-A503 PolarHBondContact O-N 3.33Å; V501-A503 PolarHBondContact O-N 3.39Å; A503-K506 PolarHBondContact O-N 2.85Å; A503-Q507 WeakPolarHBondContact O-CG 3.5Å; A503-Q507 PolarHBondContact O-N 3.35Å; A503-Q507 VanDerWaalsContact O-N 3.12Å
504H64.6Low60.9Low95 Ų9557 Ų5744%0.4431%0.307SS..Hα-helixtrans-73.1-39.6-179.4-73.1-62.2000113.6P500 V501 K506 Q507 A508P500-H504 PolarHBondContact O-CD2 3.31Å; P500-H504 VanDerWaalsContact O-CD2 3.23Å; P500-H504 PolarHBondContact O-N 3.39Å; V501-H504 PolarHBondContact O-N 2.8Å; H504-K506 PolarHBondContact O-N 2.92Å; H504-Q507 PolarHBondContact O-N 2.81Å; H504-A508 WeakPolarHBondContact O-CB 3.44Å; H504-A508 PolarHBondContact O-N 3.13Å
505T61.6Low59.6Low13 Ų1362.2 Ų62.28%0.0833%0.326CS..Hα-helixtrans-63.1-36.2174.2-57.70000110.5V501 A508 L509 I527 A528 Q531V501-T505 VanDerWaalsContact O-CB 3.24Å; V501-T505 WeakPolarHBondContact O-CB 3.42Å; V501-T505 PolarHBondContact O-N 3.28Å; V501-T505 PolarHBondContact O-OG1 2.83Å; T505-A508 PolarHBondContact O-N 2.97Å; T505-L509 HydrophobicContact CG2-CD1 3.44Å; T505-L509 VanDerWaalsContact CG2-CD1 3.44Å; T505-L509 WeakPolarHBondContact O-CB 3.47Å; T505-L509 WeakPolarHBondContact O-CD1 3.49Å; T505-L509 PolarHBondContact O-N 3.44Å; T505-I527 HydrophobicContact CG2-CG2 4.42Å; T505-A528 HydrophobicContact CG2-CB 4.34Å; T505-Q531 PolarHBondContact OG1-OE1 3.02Å
506K58.4Low58.8Low42 Ų4262.6 Ų62.618%0.18333%0.327CS..Hα-helixtrans-65.2-43.9176.1-174.2173.4-173.61660112.2Y502 A503 H504 A508 L509 A510 L516 A618Y502-K506 VanDerWaalsContact O-CB 3.22Å; Y502-K506 WeakPolarHBondContact O-CB 3.5Å; Y502-K506 PolarHBondContact O-N 2.88Å; A503-K506 PolarHBondContact O-N 2.85Å; H504-K506 PolarHBondContact O-N 2.92Å; K506-A508 VanDerWaalsContact C-N 3.34Å; K506-L509 PolarHBondContact O-N 2.9Å; K506-A510 PolarHBondContact O-N 2.88Å; K506-L516 HydrophobicContact CG-CD1 4.24Å; K506-A618 WeakPolarHBondContact CE-O 3.48Å; K506-A618 PolarHBondContact NZ-O 3.13Å
507Q60Low57.7Low143 Ų14363.1 Ų63.167%0.66833%0.334SS*.Hα-helixtrans-63.5-38.7176.2-73.3174.4-18.500112.2A503 H504 L509A503-Q507 WeakPolarHBondContact O-CG 3.5Å; A503-Q507 PolarHBondContact O-N 3.35Å; A503-Q507 VanDerWaalsContact O-N 3.12Å; H504-Q507 PolarHBondContact O-N 2.81Å; Q507-L509 PolarHBondContact O-N 3.49Å
508A61.3Low56.8Low87 Ų8763.7 Ų63.772%0.71934%0.341SS*.Hα-helixtrans-75.9-18.8-178.100000114.8H504 T505 K506H504-A508 WeakPolarHBondContact O-CB 3.44Å; H504-A508 PolarHBondContact O-N 3.13Å; T505-A508 PolarHBondContact O-N 2.97Å; K506-A508 VanDerWaalsContact C-N 3.34Å
509L54.8Low56.2Low45 Ų4567.7 Ų67.724%0.23637%0.366CS..THydrogen-bonded Turntrans-1094.3-178.6-86.5130.1000113.4T505 K506 Q507 L516 A524T505-L509 HydrophobicContact CG2-CD1 3.44Å; T505-L509 VanDerWaalsContact CG2-CD1 3.44Å; T505-L509 WeakPolarHBondContact O-CB 3.47Å; T505-L509 WeakPolarHBondContact O-CD1 3.49Å; T505-L509 PolarHBondContact O-N 3.44Å; K506-L509 PolarHBondContact O-N 2.9Å; Q507-L509 PolarHBondContact O-N 3.49Å; L509-L516 HydrophobicContact CB-CD2 4.01Å; L509-L516 WeakPolarHBondContact O-CD2 3.27Å; L509-A524 HydrophobicContact CB-CB 4.39Å; L509-A524 HydrophobicContact CD1-CB 3.85Å; L509-A524 HydrophobicContact CD2-CB 4.27Å; L509-A524 HydrophobicContact CG-CB 4.4Å
510A52.5Low55.8Low46 Ų4669.9 Ų69.938%0.3838%0.376SS..  trans-72.1126.1172.200000109.6K506K506-A510 PolarHBondContact O-N 2.88Å
511D47.4Very low55.4Low87 Ų8770 Ų7047%0.46538%0.376SS..  trans-67167.9168.5-86-21.5000110.6D513 G514 Q520D511-D513 PolarHBondContact O-N 3.26Å; D511-G514 PolarHBondContact O-N 3.19Å; D511-Q520 PolarHBondContact OD1-NE2 3.01Å; D511-Q520 PolarHBondContact OD2-NE2 2.86Å; D511-Q520 PolarHBondContact OD2-OE1 3.36Å
512E40.2Very low55.2Low202 Ų20272.4 Ų72.494%0.94439%0.387SS*.THydrogen-bonded Turntrans-52.5-19.8178.9-65.4-176.5159.400114.3
513D34.6Very low55Low103 Ų10372 Ų7255%0.55139%0.392SS*.THydrogen-bonded Turntrans-95.53.9177-74.4-37.2000114.5D511 R515D511-D513 PolarHBondContact O-N 3.26Å; D513-R515 HydrophobicContact CB-CG 4.37Å; D513-R515 PolarHBondContact O-N 3.03Å
514G47Very low54.8Low19 Ų1971.5 Ų71.520%0.19639%0.388CS..SBendtrans67.44.3-175.300000114.5D511D511-G514 PolarHBondContact O-N 3.19Å
515R46.4Very low54.4Low144 Ų14467 Ų6754%0.54337%0.368SS..PPolyproline II helixtrans-92.6127.6-179.8-68-179171.8126.61.5109.9D513D513-R515 HydrophobicContact CB-CG 4.37Å; D513-R515 PolarHBondContact O-N 3.03Å
516L54.9Low54.2Low7 Ų767.8 Ų67.84%0.03738%0.375CS..PPolyproline II helixtrans-94.8121.5164.1-66.7115.5000109.1K506 L509 L521 R606K506-L516 HydrophobicContact CG-CD1 4.24Å; L509-L516 HydrophobicContact CB-CD2 4.01Å; L509-L516 WeakPolarHBondContact O-CD2 3.27Å; L516-L521 HydrophobicContact CB-CD1 4.23Å; L516-L521 HydrophobicContact CB-CD2 3.47Å; L516-L521 VanDerWaalsContact CB-CD2 3.47Å; L516-L521 HydrophobicContact CB-CG 3.55Å; L516-L521 HydrophobicContact CD1-CD2 4.21Å; L516-L521 HydrophobicContact CD2-CD2 4Å; L516-L521 HydrophobicContact CG-CD2 4.1Å; L516-R606 PolarHBondContact O-NH2 3.28Å
517G53.6Low54.2Low24 Ų2468.3 Ų68.325%0.24738%0.38CS..PPolyproline II helixtrans-64.9153.2171.100000111.3L519 Q520 L521G517-L519 PolarHBondContact O-N 3.36Å; G517-Q520 PolarHBondContact O-N 3.41Å; G517-L521 WeakPolarHBondContact O-CG 3.42Å; G517-L521 PolarHBondContact O-N 3.5Å
518P55.8Low53.9Low65 Ų6562.4 Ų62.442%0.42236%0.355SS..Hα-helixtrans-52-34.5177.6-27.334.7000113.7L522 V599P518-L522 WeakPolarHBondContact O-CB 3.38Å; P518-L522 PolarHBondContact O-N 3.25Å; P518-L522 VanDerWaalsContact O-N 3.07Å; P518-V599 WeakPolarHBondContact O-CG2 3.47Å
519L56Low53.5Low142 Ų14258.7 Ų58.774%0.74333%0.326SS*.Hα-helixtrans-76.6-40.5179-138.6124.2000111.7G517 L521 L522 T523G517-L519 PolarHBondContact O-N 3.36Å; L519-L521 VanDerWaalsContact C-N 3.35Å; L519-L522 PolarHBondContact O-N 2.9Å; L519-T523 WeakPolarHBondContact O-CB 3.49Å; L519-T523 PolarHBondContact O-N 2.81Å; L519-T523 PolarHBondContact O-OG1 3.24Å
520Q60.6Low52.8Low63 Ų6363.9 Ų63.929%0.29435%0.346SS..Hα-helixtrans-66.4-34.8173.5-71.7161.4-20.500111.7D511 G517 T523 A524D511-Q520 PolarHBondContact OD1-NE2 3.01Å; D511-Q520 PolarHBondContact OD2-NE2 2.86Å; D511-Q520 PolarHBondContact OD2-OE1 3.36Å; G517-Q520 PolarHBondContact O-N 3.41Å; Q520-T523 CarbonylContact O-C 3.51Å; Q520-T523 PolarHBondContact O-N 3.05Å; Q520-A524 WeakPolarHBondContact O-CB 3.32Å; Q520-A524 PolarHBondContact O-N 3.43Å
521L61.3Low52.4Low10 Ų1066.3 Ų66.35%0.05235%0.35CS..Hα-helixtrans-67.4-41.4172.5-72.4163.9000113.2L516 G517 L519 T523 A524 G525 V599 E602L516-L521 HydrophobicContact CB-CD1 4.23Å; L516-L521 HydrophobicContact CB-CD2 3.47Å; L516-L521 VanDerWaalsContact CB-CD2 3.47Å; L516-L521 HydrophobicContact CB-CG 3.55Å; L516-L521 HydrophobicContact CD1-CD2 4.21Å; L516-L521 HydrophobicContact CD2-CD2 4Å; L516-L521 HydrophobicContact CG-CD2 4.1Å; G517-L521 WeakPolarHBondContact O-CG 3.42Å; G517-L521 PolarHBondContact O-N 3.5Å; L519-L521 VanDerWaalsContact C-N 3.35Å; L521-T523 PolarHBondContact O-N 2.89Å; L521-A524 PolarHBondContact O-N 3.18Å; L521-G525 PolarHBondContact O-N 3.47Å; L521-V599 HydrophobicContact CB-CG2 4.07Å; L521-E602 HydrophobicContact CD1-CB 4.1Å; L521-E602 HydrophobicContact CD1-CG 3.92Å; L521-E602 WeakPolarHBondContact CD1-OE1 3.46Å; L521-E602 WeakPolarHBondContact CD1-OE2 3.34Å; L521-E602 WeakPolarHBondContact CD2-OE1 3.38Å
522L61.7Low52.5Low92 Ų9263 Ų6348%0.48234%0.337SS..Hα-helixtrans-64.8-36.4174.7-163.9146.9000109.9P518 L519 A526 V599P518-L522 WeakPolarHBondContact O-CB 3.38Å; P518-L522 PolarHBondContact O-N 3.25Å; P518-L522 VanDerWaalsContact O-N 3.07Å; L519-L522 PolarHBondContact O-N 2.9Å; L522-A526 WeakPolarHBondContact O-CB 2.8Å; L522-A526 PolarHBondContact O-N 2.96Å; L522-V599 HydrophobicContact CB-CG2 4.17Å
523T59.1Low53Low60 Ų6056.8 Ų56.837%0.36831%0.312SS..Hα-helixtrans-73.4-39.5176.9-46.20000111.2L519 Q520 L521 A526 I527L519-T523 WeakPolarHBondContact O-CB 3.49Å; L519-T523 PolarHBondContact O-N 2.81Å; L519-T523 PolarHBondContact O-OG1 3.24Å; Q520-T523 CarbonylContact O-C 3.51Å; Q520-T523 PolarHBondContact O-N 3.05Å; L521-T523 PolarHBondContact O-N 2.89Å; T523-A526 CarbonylContact O-C 3.53Å; T523-A526 PolarHBondContact O-N 2.91Å; T523-I527 HydrophobicContact CG2-CD1 3.87Å; T523-I527 HydrophobicContact CG2-CG1 4.41Å; T523-I527 VanDerWaalsContact O-CB 3.26Å; T523-I527 WeakPolarHBondContact O-CB 3.31Å; T523-I527 WeakPolarHBondContact O-CG1 3.46Å; T523-I527 PolarHBondContact O-N 3.26Å
524A58.2Low53.8Low12 Ų1255.3 Ų55.310%0.09931%0.308CS..Hα-helixtrans-67.2-41.4174.200000111.6L509 Q520 L521 A526 I527 A528L509-A524 HydrophobicContact CB-CB 4.39Å; L509-A524 HydrophobicContact CD1-CB 3.85Å; L509-A524 HydrophobicContact CD2-CB 4.27Å; L509-A524 HydrophobicContact CG-CB 4.4Å; Q520-A524 WeakPolarHBondContact O-CB 3.32Å; Q520-A524 PolarHBondContact O-N 3.43Å; L521-A524 PolarHBondContact O-N 3.18Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-I527 PolarHBondContact O-N 3.46Å; A524-A528 WeakPolarHBondContact O-CB 3.37Å; A524-A528 PolarHBondContact O-N 2.79Å
525G58.1Low54.1Low1 Ų154.6 Ų54.61%0.0130%0.3CS..Hα-helixtrans-66.2-35.817200000112.2L521 G529L521-G525 PolarHBondContact O-N 3.47Å; G525-G529 WeakPolarHBondContact O-CA 3.47Å; G525-G529 PolarHBondContact O-N 3.42Å
526A57.4Low54.5Low29 Ų2948.1 Ų48.124%0.2428%0.277CS..Hα-helixtrans-71.7-38.2173.900000112.5L522 T523 A524 G529 K530 S591L522-A526 WeakPolarHBondContact O-CB 2.8Å; L522-A526 PolarHBondContact O-N 2.96Å; T523-A526 CarbonylContact O-C 3.53Å; T523-A526 PolarHBondContact O-N 2.91Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A526-G529 CarbonylContact O-C 3.6Å; A526-G529 PolarHBondContact O-N 3.49Å; A526-K530 WeakPolarHBondContact O-CB 3.48Å; A526-K530 PolarHBondContact O-N 3.06Å; A526-S591 WeakPolarHBondContact CA-OG 3.33Å
527I56.6Low54.8Low54 Ų5449.6 Ų49.628%0.27729%0.289SS..Hα-helixtrans-72.4-46.4177-71.8167.9000110.3T505 T523 A524 G529 K530 Q531T505-I527 HydrophobicContact CG2-CG2 4.42Å; T523-I527 HydrophobicContact CG2-CD1 3.87Å; T523-I527 HydrophobicContact CG2-CG1 4.41Å; T523-I527 VanDerWaalsContact O-CB 3.26Å; T523-I527 WeakPolarHBondContact O-CB 3.31Å; T523-I527 WeakPolarHBondContact O-CG1 3.46Å; T523-I527 PolarHBondContact O-N 3.26Å; A524-I527 PolarHBondContact O-N 3.46Å; I527-G529 PolarHBondContact O-N 3.43Å; I527-K530 CarbonylContact O-C 3.57Å; I527-K530 WeakPolarHBondContact O-CA 3.32Å; I527-K530 PolarHBondContact O-N 3.44Å; I527-Q531 HydrophobicContact CG2-CG 4.05Å; I527-Q531 VanDerWaalsContact O-CB 3.26Å; I527-Q531 WeakPolarHBondContact O-CB 3.46Å; I527-Q531 WeakPolarHBondContact O-CG 3.42Å; I527-Q531 PolarHBondContact O-N 3.18Å
528A54.3Low55.3Low19 Ų1954 Ų5416%0.15731%0.306CS..Hα-helixtrans-60.9-36.6170.800000111T505 A524 G532T505-A528 HydrophobicContact CG2-CB 4.34Å; A524-A528 WeakPolarHBondContact O-CB 3.37Å; A524-A528 PolarHBondContact O-N 2.79Å; A528-G532 PolarHBondContact O-N 3.09Å
529G52Low55.8Low9 Ų951 Ų519%0.09329%0.287CS..Hα-helixtrans-65-36.3170.900000113.8G525 A526 I527G525-G529 WeakPolarHBondContact O-CA 3.47Å; G525-G529 PolarHBondContact O-N 3.42Å; A526-G529 CarbonylContact O-C 3.6Å; A526-G529 PolarHBondContact O-N 3.49Å; I527-G529 PolarHBondContact O-N 3.43Å
530K41.3Very low56.3Low153 Ų15344.5 Ų44.567%0.66525%0.253SS*.Hα-helixtrans-78.3-33.6173.7-89.8-174.9174.1-179.30113A526 I527 G532 V533A526-K530 WeakPolarHBondContact O-CB 3.48Å; A526-K530 PolarHBondContact O-N 3.06Å; I527-K530 CarbonylContact O-C 3.57Å; I527-K530 WeakPolarHBondContact O-CA 3.32Å; I527-K530 PolarHBondContact O-N 3.44Å; K530-G532 VanDerWaalsContact C-N 3.31Å; K530-V533 WeakPolarHBondContact O-CB 3.23Å; K530-V533 WeakPolarHBondContact O-CG2 3.26Å; K530-V533 PolarHBondContact O-N 3.14Å
531Q44.1Very low56.7Low97 Ų9742.6 Ų42.645%0.45325%0.246SC..Hα-helixtrans-82.9-12.9176.6-72.5177.1-5.600111.5V501 T505 I527 V533 P534V501-Q531 HydrophobicContact CG1-CB 4.39Å; T505-Q531 PolarHBondContact OG1-OE1 3.02Å; I527-Q531 HydrophobicContact CG2-CG 4.05Å; I527-Q531 VanDerWaalsContact O-CB 3.26Å; I527-Q531 WeakPolarHBondContact O-CB 3.46Å; I527-Q531 WeakPolarHBondContact O-CG 3.42Å; I527-Q531 PolarHBondContact O-N 3.18Å; Q531-V533 PolarHBondContact O-N 2.93Å; Q531-P534 WeakPolarHBondContact O-CD 3.48Å
532G49.9Very low57Low19 Ų1942.4 Ų42.420%0.19625%0.246CC..THydrogen-bonded Turntrans-72.42.316200000113.5A528 K530 P534 A535 A536A528-G532 PolarHBondContact O-N 3.09Å; K530-G532 VanDerWaalsContact C-N 3.31Å; G532-P534 VanDerWaalsContact C-CD 3.49Å; G532-A535 PolarHBondContact O-N 3.39Å; G532-A536 VanDerWaalsContact O-CB 3.24Å; G532-A536 WeakPolarHBondContact O-CB 3.4Å; G532-A536 PolarHBondContact O-N 3.32Å
533V49.7Very low57.2Low70 Ų7039 Ų3942%0.42423%0.228SC..Hα-helixtrans-57-40.2174.1163.90000113.3K530 Q531 S537 V587K530-V533 WeakPolarHBondContact O-CB 3.23Å; K530-V533 WeakPolarHBondContact O-CG2 3.26Å; K530-V533 PolarHBondContact O-N 3.14Å; Q531-V533 PolarHBondContact O-N 2.93Å; V533-S537 WeakPolarHBondContact O-CB 3.4Å; V533-S537 PolarHBondContact O-N 3.18Å; V533-S537 PolarHBondContact O-OG 2.85Å; V533-V587 HydrophobicContact CG2-CG1 4.23Å; V533-V587 HydrophobicContact CG2-CG2 4.17Å
534P51.8Low57.5Low73 Ų7337.2 Ų37.247%0.47422%0.216SC..Hα-helixtrans-67.4-40.2172.8-17.432.8000112.5Q531 G532 S537 L538Q531-P534 WeakPolarHBondContact O-CD 3.48Å; G532-P534 VanDerWaalsContact C-CD 3.49Å; P534-S537 WeakPolarHBondContact CA-OG 3.42Å; P534-S537 PolarHBondContact O-OG 3.29Å; P534-L538 VanDerWaalsContact O-CB 3.26Å; P534-L538 WeakPolarHBondContact O-CB 3.44Å; P534-L538 WeakPolarHBondContact O-CD1 3.41Å; P534-L538 WeakPolarHBondContact O-CG 3.47Å; P534-L538 PolarHBondContact O-N 3.31Å
535A53Low58.1Low3 Ų337 Ų373%0.02521%0.214CC..Hα-helixtrans-68.3-43.2177.800000111.9I497 G532 V539I497-A535 HydrophobicContact CB-CB 3.91Å; I497-A535 HydrophobicContact CD1-CB 3.82Å; I497-A535 HydrophobicContact CG1-CB 4.49Å; I497-A535 HydrophobicContact CG2-CB 3.73Å; G532-A535 PolarHBondContact O-N 3.39Å; A535-V539 VanDerWaalsContact O-CB 3.29Å; A535-V539 WeakPolarHBondContact O-CB 3.48Å; A535-V539 WeakPolarHBondContact O-CG2 3.39Å; A535-V539 PolarHBondContact O-N 2.93Å; A535-V539 VanDerWaalsContact O-N 3.07Å
536A54.8Low58.5Low8 Ų837.2 Ų37.27%0.06621%0.214CC..Hα-helixtrans-65.9-43.6176.800000110.7G532 V539 T540 V587G532-A536 VanDerWaalsContact O-CB 3.24Å; G532-A536 WeakPolarHBondContact O-CB 3.4Å; G532-A536 PolarHBondContact O-N 3.32Å; A536-V539 PolarHBondContact O-N 3.41Å; A536-T540 WeakPolarHBondContact O-CB 3.48Å; A536-T540 PolarHBondContact O-N 3.44Å; A536-T540 PolarHBondContact O-OG1 3.12Å; A536-V587 HydrophobicContact CB-CG2 4.32Å
537S61Low58.6Low39 Ų3939.3 Ų39.327%0.27322%0.224SC..Hα-helixtrans-67-37.6177.965.80000112.6V533 P534 V539 P541 W580V533-S537 WeakPolarHBondContact O-CB 3.4Å; V533-S537 PolarHBondContact O-N 3.18Å; V533-S537 PolarHBondContact O-OG 2.85Å; P534-S537 WeakPolarHBondContact CA-OG 3.42Å; P534-S537 PolarHBondContact O-OG 3.29Å; S537-V539 VanDerWaalsContact C-N 3.33Å; S537-V539 PolarHBondContact O-N 2.85Å; S537-P541 WeakPolarHBondContact O-CD 3.47Å; S537-W580 WeakPolarHBondContact O-CZ2 3.42Å; S537-W580 PolarHBondContact O-NE1 3.45Å
538L64.8Low59Low117 Ų11740.6 Ų40.661%0.61323%0.226SC*.Hα-helixtrans-64.6-35.3173.6-79.5166.7000112.8I497 P534I497-L538 HydrophobicContact CD1-CD1 3.97Å; P534-L538 VanDerWaalsContact O-CB 3.26Å; P534-L538 WeakPolarHBondContact O-CB 3.44Å; P534-L538 WeakPolarHBondContact O-CD1 3.41Å; P534-L538 WeakPolarHBondContact O-CG 3.47Å; P534-L538 PolarHBondContact O-N 3.31Å
539V66.2Low59.4Low2 Ų240.9 Ų40.91%0.01223%0.225CC..Hα-helixtrans-94-20-173.6175.20000113.1R490 P493 F494 A535 A536 S537 P541 A542 D543R490-V539 HydrophobicContact CB-CG1 3.98Å; R490-V539 HydrophobicContact CG-CG1 3.34Å; P493-V539 HydrophobicContact CB-CG2 4.06Å; F494-V539 HydrophobicContact CB-CG2 4.26Å; A535-V539 VanDerWaalsContact O-CB 3.29Å; A535-V539 WeakPolarHBondContact O-CB 3.48Å; A535-V539 WeakPolarHBondContact O-CG2 3.39Å; A535-V539 PolarHBondContact O-N 2.93Å; A535-V539 VanDerWaalsContact O-N 3.07Å; A536-V539 PolarHBondContact O-N 3.41Å; S537-V539 VanDerWaalsContact C-N 3.33Å; S537-V539 PolarHBondContact O-N 2.85Å; V539-P541 VanDerWaalsContact C-CD 3.47Å; V539-P541 VanDerWaalsContact C-N 3.35Å; V539-A542 WeakPolarHBondContact O-CB 3.36Å; V539-A542 PolarHBondContact O-N 3.06Å; V539-D543 PolarHBondContact O-N 3.31Å; V539-D543 VanDerWaalsContact O-N 3.09Å
540T66.1Low59.5Low5 Ų540.8 Ų40.83%0.03122%0.222CC..Hα-helixtrans-53.3-42.6-179-57.20000113.1A536 A542 D543 V544 F579 A583A536-T540 WeakPolarHBondContact O-CB 3.48Å; A536-T540 PolarHBondContact O-N 3.44Å; A536-T540 PolarHBondContact O-OG1 3.12Å; T540-A542 VanDerWaalsContact C-N 3.31Å; T540-A542 PolarHBondContact O-N 2.67Å; T540-D543 WeakPolarHBondContact O-CB 3.29Å; T540-D543 PolarHBondContact O-N 3.49Å; T540-V544 HydrophobicContact CG2-CG2 4.46Å; T540-V544 WeakPolarHBondContact O-CG2 3.44Å; T540-V544 PolarHBondContact O-N 3.14Å; T540-F579 CarbonylContact C-O 3.56Å; T540-F579 WeakPolarHBondContact CG2-O 3.31Å; T540-A583 HydrophobicContact CG2-CB 4.08Å
541P69.3Low60.2Low23 Ų2335.3 Ų35.315%0.14920%0.201CC..Hα-helixtrans-58.9-40.3176-26.135.8000113.4S537 V539 V544 I545 F579 W580S537-P541 WeakPolarHBondContact O-CD 3.47Å; V539-P541 VanDerWaalsContact C-CD 3.47Å; V539-P541 VanDerWaalsContact C-N 3.35Å; P541-V544 PolarHBondContact O-N 3.42Å; P541-I545 WeakPolarHBondContact O-CD1 3.49Å; P541-I545 VanDerWaalsContact O-CG1 3.32Å; P541-I545 WeakPolarHBondContact O-CG1 3.4Å; P541-I545 PolarHBondContact O-N 2.75Å; P541-F579 HydrophobicContact CB-CB 3.99Å; P541-F579 HydrophobicContact CB-CD1 4.07Å; P541-F579 HydrophobicContact CB-CG 4.35Å; P541-F579 HydrophobicContact CG-CB 4.16Å; P541-W580 HydrophobicContact CG-CD2 4.48Å; P541-W580 HydrophobicContact CG-CE3 4.16Å; P541-W580 HydrophobicContact CG-CH2 3.65Å; P541-W580 HydrophobicContact CG-CZ2 4Å; P541-W580 HydrophobicContact CG-CZ3 3.75Å
542A68.1Low60.3Low6 Ų632.6 Ų32.65%0.0520%0.195CC..Hα-helixtrans-68.9-35178.100000112.1L489 V539 T540 I545 K546L489-A542 HydrophobicContact CB-CB 4.25Å; L489-A542 HydrophobicContact CD2-CB 3.82Å; L489-A542 HydrophobicContact CG-CB 3.82Å; V539-A542 WeakPolarHBondContact O-CB 3.36Å; V539-A542 PolarHBondContact O-N 3.06Å; T540-A542 VanDerWaalsContact C-N 3.31Å; T540-A542 PolarHBondContact O-N 2.67Å; A542-I545 PolarHBondContact O-N 3.26Å; A542-K546 WeakPolarHBondContact O-CB 3.29Å; A542-K546 PolarHBondContact O-N 3.36Å
543D64.6Low60.2Low21 Ų2134.5 Ų34.511%0.11221%0.209CC..Hα-helixtrans-64.3-43.7174.1-66.4-59.8000112.8R490 V539 T540 I545 K546 T547 R586R490-D543 WeakPolarHBondContact CD-OD1 3.44Å; R490-D543 WeakPolarHBondContact CG-OD1 3.35Å; V539-D543 PolarHBondContact O-N 3.31Å; V539-D543 VanDerWaalsContact O-N 3.09Å; T540-D543 WeakPolarHBondContact O-CB 3.29Å; T540-D543 PolarHBondContact O-N 3.49Å; D543-I545 VanDerWaalsContact C-N 3.29Å; D543-I545 PolarHBondContact O-N 3.16Å; D543-K546 PolarHBondContact O-N 3.49Å; D543-T547 WeakPolarHBondContact O-CG2 3.33Å; D543-T547 PolarHBondContact O-N 3.49Å; D543-T547 PolarHBondContact O-OG1 2.76Å; D543-R586 IonicContact OD1-NH1 3.56Å; D543-R586 PolarHBondContact OD1-NH1 3.04Å; D543-R586 IonicContact OD2-CZ 3.83Å; D543-R586 IonicContact OD2-NH1 3.97Å; D543-R586 PolarHBondContact OD2-NH1 2.82Å
544V66.8Low60Low21 Ų2138.9 Ų38.913%0.12722%0.218CC..Hα-helixtrans-61.9-42.6179.2174.20000109.4T540 P541 T547 R548 I570T540-V544 HydrophobicContact CG2-CG2 4.46Å; T540-V544 WeakPolarHBondContact O-CG2 3.44Å; T540-V544 PolarHBondContact O-N 3.14Å; P541-V544 PolarHBondContact O-N 3.42Å; V544-T547 PolarHBondContact O-OG1 3.04Å; V544-R548 WeakPolarHBondContact O-CG 3.35Å; V544-R548 PolarHBondContact O-N 3.12Å; V544-I570 HydrophobicContact CG1-CD1 4.46Å
545I69.4Low59.1Low8 Ų840.8 Ų40.84%0.04124%0.24CC..Hα-helixtrans-65.9-44.2176.8-61.1161.7000111.2P541 A542 D543 T547 R548 L549 V563 C566 F567 I570 F579P541-I545 WeakPolarHBondContact O-CD1 3.49Å; P541-I545 VanDerWaalsContact O-CG1 3.32Å; P541-I545 WeakPolarHBondContact O-CG1 3.4Å; P541-I545 PolarHBondContact O-N 2.75Å; A542-I545 PolarHBondContact O-N 3.26Å; D543-I545 VanDerWaalsContact C-N 3.29Å; D543-I545 PolarHBondContact O-N 3.16Å; I545-T547 PolarHBondContact O-N 2.87Å; I545-R548 PolarHBondContact O-N 2.9Å; I545-L549 VanDerWaalsContact O-CB 3.3Å; I545-L549 WeakPolarHBondContact O-CB 3.36Å; I545-L549 PolarHBondContact O-N 2.78Å; I545-V563 HydrophobicContact CG2-CB 4.41Å; I545-V563 HydrophobicContact CG2-CG1 3.93Å; I545-C566 HydrophobicContact CG2-CB 4.04Å; I545-F567 HydrophobicContact CD1-CB 4.26Å; I545-F567 HydrophobicContact CD1-CD2 3.95Å; I545-I570 HydrophobicContact CG1-CD1 4.43Å; I545-F579 HydrophobicContact CD1-CE1 4.12Å; I545-F579 HydrophobicContact CG1-CE1 4.06Å
546K66.4Low58.8Low5 Ų545 Ų452%0.02228%0.283CS..Hα-helixtrans-57.9-50.7177.9177.71791721680111.9E448 A486 C487 A542 D543 R548 L549 Q550E448-K546 IonicContact OE1-NZ 3.18Å; E448-K546 IonicContact OE2-NZ 2.63Å; E448-K546 PolarHBondContact OE2-NZ 3.32Å; A486-K546 HydrophobicContact CB-CB 3.75Å; A486-K546 HydrophobicContact CB-CG 4.24Å; C487-K546 WeakPolarHBondContact SG-CE 3.27Å; C487-K546 PolarHBondContact SG-NZ 3.3Å; A542-K546 WeakPolarHBondContact O-CB 3.29Å; A542-K546 PolarHBondContact O-N 3.36Å; D543-K546 PolarHBondContact O-N 3.49Å; K546-R548 VanDerWaalsContact C-N 3.33Å; K546-R548 PolarHBondContact O-N 2.99Å; K546-L549 PolarHBondContact O-N 3.4Å; K546-Q550 HydrophobicContact CG-CG 4.38Å; K546-Q550 WeakPolarHBondContact O-CB 3.11Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 2.74Å
547T61.2Low58.4Low73 Ų7348.8 Ų48.845%0.44830%0.3SS..Hα-helixtrans-63.7-38.9-176.351.20000111.7D543 V544 I545 V551D543-T547 WeakPolarHBondContact O-CG2 3.33Å; D543-T547 PolarHBondContact O-N 3.49Å; D543-T547 PolarHBondContact O-OG1 2.76Å; V544-T547 PolarHBondContact O-OG1 3.04Å; I545-T547 PolarHBondContact O-N 2.87Å; T547-V551 WeakPolarHBondContact O-CG2 3.39Å; T547-V551 PolarHBondContact O-N 3.4Å
548R65.1Low57.9Low81 Ų8150.4 Ų50.431%0.30631%0.308SS..Hα-helixtrans-68.9-36.1175.9-64.3-65.8-165.4-178.811.8113V544 I545 K546 I570 E574V544-R548 WeakPolarHBondContact O-CG 3.35Å; V544-R548 PolarHBondContact O-N 3.12Å; I545-R548 PolarHBondContact O-N 2.9Å; K546-R548 VanDerWaalsContact C-N 3.33Å; K546-R548 PolarHBondContact O-N 2.99Å; R548-I570 HydrophobicContact CG-CD1 4.42Å; R548-E574 IonicContact NH2-OE1 3.77Å; R548-E574 PolarHBondContact NH2-OE1 3.27Å; R548-E574 IonicContact NH2-OE2 3.28Å
549L62.8Low57.4Low26 Ų2649.3 Ų49.314%0.13631%0.306CS..Hα-helixtrans-80.1-25.9-177.5-162.5135.3000113.6I545 K546 G562 C566I545-L549 VanDerWaalsContact O-CB 3.3Å; I545-L549 WeakPolarHBondContact O-CB 3.36Å; I545-L549 PolarHBondContact O-N 2.78Å; K546-L549 PolarHBondContact O-N 3.4Å; L549-G562 VanDerWaalsContact CD1-C 3.47Å; L549-C566 HydrophobicContact CD1-CB 4.45Å
550Q52.3Low57.1Low7 Ų751.4 Ų51.43%0.03331%0.314CS..Hα-helixtrans-91-17.8-179.5-71.6-176.2-29.300114.3I452 K546I452-Q550 VanDerWaalsContact CD1-OE1 3.24Å; K546-Q550 HydrophobicContact CG-CG 4.38Å; K546-Q550 WeakPolarHBondContact O-CB 3.11Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 2.74Å
551V57.9Low56.8Low37 Ų3758.3 Ų58.322%0.22435%0.351CS..SBendtrans-75.4134.6173172.60000109.8T547 A553T547-V551 WeakPolarHBondContact O-CG2 3.39Å; T547-V551 PolarHBondContact O-N 3.4Å; V551-A553 PolarHBondContact O-N 3.2Å
552A46.1Very low56.7Low41 Ų4158.4 Ų58.434%0.33936%0.356SS..PPolyproline II helixtrans-62.1128.3177.600000110.9R554A552-R554 PolarHBondContact O-N 3.07Å
553A47.1Very low56.8Low58 Ų5859.9 Ų59.948%0.47936%0.364SS..PPolyproline II helixtrans-65.8124.4166.900000108.8V551 T559V551-A553 PolarHBondContact O-N 3.2Å; A553-T559 HydrophobicContact CB-CG2 4.22Å
554R45.2Very low57.3Low162 Ų16265 Ų6561%0.61139%0.39SS*.PPolyproline II helixtrans-80.7157.3165.5-74.1-174.7-178.9175.73.8109A552 G556 Q557A552-R554 PolarHBondContact O-N 3.07Å; R554-G556 PolarHBondContact O-N 3.39Å; R554-Q557 PolarHBondContact O-N 2.81Å
555A33.9Very low57.6Low114 Ų11466.5 Ų66.594%0.94240%0.397SS*.THydrogen-bonded Turntrans-51.5122.8178.600000111
556G44.8Very low57.6Low90 Ų9066.1 Ų66.193%0.92840%0.396SS*.THydrogen-bonded Turntrans100.4418000000116.7R554R554-G556 PolarHBondContact O-N 3.39Å
557Q46.8Very low58.1Low89 Ų8970.1 Ų70.142%0.41641%0.413SS..SBendtrans-106.7152.9174.5-71.2-162.6-32.900114R554 T559R554-Q557 PolarHBondContact O-N 2.81Å; Q557-T559 PolarHBondContact O-N 3.06Å
558T51.3Low58.9Low73 Ų7375.4 Ų75.445%0.44843%0.425SS..  trans-58118.3175.742.60000110.7
559T54.3Low59.3Low93 Ų9374.1 Ų74.157%0.57142%0.421SS*.  trans-74.6139.7169.843.30000109.3A553 Q557 K569A553-T559 HydrophobicContact CB-CG2 4.22Å; Q557-T559 PolarHBondContact O-N 3.06Å; T559-K569 PolarHBondContact O-NZ 3.18Å
560Y60.6Low59.8Low47 Ų4773 Ų7318%0.18442%0.416CS..  trans-107.9116.6174-58.8-72.4000108.3C566 K569Y560-C566 HydrophobicContact CD1-CB 3.87Å; Y560-C566 HydrophobicContact CG-CB 4.11Å; Y560-K569 HydrophobicContact CD1-CB 4.5Å; Y560-K569 HydrophobicContact CD1-CD 3.75Å; Y560-K569 HydrophobicContact CE1-CB 3.88Å; Y560-K569 HydrophobicContact CE1-CD 3.69Å; Y560-K569 HydrophobicContact CE1-CG 4.43Å
561D59.8Low60.9Low150 Ų15076.4 Ų76.480%0.80243%0.433SS*.  trans-86.6-8.3-178.5-100.7-25.6000113.1D565D561-D565 PolarHBondContact N-OD2 3.11Å
562G66.8Low61.6Low24 Ų2485.5 Ų85.525%0.24746%0.464CS..SBendtrans-176.2174.7177.400000114.7L549 I564 D565 C566L549-G562 VanDerWaalsContact CD1-C 3.47Å; G562-I564 VanDerWaalsContact C-N 3.33Å; G562-I564 PolarHBondContact O-N 3.17Å; G562-D565 PolarHBondContact O-N 3.11Å; G562-C566 VanDerWaalsContact O-CB 3.3Å; G562-C566 WeakPolarHBondContact O-CB 3.48Å; G562-C566 PolarHBondContact O-N 3.25Å
563V70.1Confident62.9Low38 Ų3889.1 Ų89.123%0.2347%0.474CS..Hα-helixtrans-59.6-42.1-179.5177.20000111.4K485 A486 I545 F567K485-V563 HydrophobicContact CB-CG2 4.32Å; A486-V563 HydrophobicContact CB-CG2 4.27Å; I545-V563 HydrophobicContact CG2-CB 4.41Å; I545-V563 HydrophobicContact CG2-CG1 3.93Å; V563-F567 WeakPolarHBondContact O-CB 3.23Å; V563-F567 PolarHBondContact O-N 2.97Å
564I75.3Confident63.6Low129 Ų12989.9 Ų89.966%0.66247%0.467SS*.Hα-helixtrans-72-40.1-178.3-59.8173.3000111.3G562 F567 R568G562-I564 VanDerWaalsContact C-N 3.33Å; G562-I564 PolarHBondContact O-N 3.17Å; I564-F567 PolarHBondContact O-N 3.26Å; I564-R568 WeakPolarHBondContact O-CB 3.19Å; I564-R568 PolarHBondContact O-N 3.32Å
565D73.4Confident64.9Low52 Ų5283.4 Ų83.428%0.27845%0.451SS..Hα-helixtrans-65.5-42.9175.9-179.943.8000111.1D561 G562 R568 K569D561-D565 PolarHBondContact N-OD2 3.11Å; G562-D565 PolarHBondContact O-N 3.11Å; D565-R568 PolarHBondContact O-N 3.41Å; D565-K569 VanDerWaalsContact CG-NZ 3.35Å; D565-K569 WeakPolarHBondContact O-CB 3.19Å; D565-K569 WeakPolarHBondContact O-CG 3.47Å; D565-K569 PolarHBondContact O-N 3.46Å; D565-K569 WeakPolarHBondContact OD1-CE 3.46Å; D565-K569 IonicContact OD1-NZ 2.76Å; D565-K569 PolarHBondContact OD1-NZ 3.16Å; D565-K569 IonicContact OD2-NZ 2.82Å; D565-K569 PolarHBondContact OD2-NZ 3.26Å
566C69.3Low66.6Low0 Ų084.6 Ų84.60%044%0.435CS..Hα-helixtrans-62.1-46.3173.8-167.30000112I545 L549 Y560 G562 R568 K569 I570I545-C566 HydrophobicContact CG2-CB 4.04Å; L549-C566 HydrophobicContact CD1-CB 4.45Å; Y560-C566 HydrophobicContact CD1-CB 3.87Å; Y560-C566 HydrophobicContact CG-CB 4.11Å; G562-C566 VanDerWaalsContact O-CB 3.3Å; G562-C566 WeakPolarHBondContact O-CB 3.48Å; G562-C566 PolarHBondContact O-N 3.25Å; C566-R568 PolarHBondContact O-N 3.32Å; C566-K569 PolarHBondContact O-N 3.09Å; C566-I570 WeakPolarHBondContact O-CB 3.48Å; C566-I570 WeakPolarHBondContact O-CD1 3.34Å; C566-I570 WeakPolarHBondContact O-CG1 3.27Å; C566-I570 PolarHBondContact O-N 3.25Å; C566-I570 VanDerWaalsContact SG-CD1 3.58Å
567F76Confident67.5Low89 Ų8984.3 Ų84.339%0.3942%0.419SS..Hα-helixtrans-57.9-46.9176.2-179.8-96.1000112I545 V563 I564 I570 L571 F579I545-F567 HydrophobicContact CD1-CB 4.26Å; I545-F567 HydrophobicContact CD1-CD2 3.95Å; V563-F567 WeakPolarHBondContact O-CB 3.23Å; V563-F567 PolarHBondContact O-N 2.97Å; I564-F567 PolarHBondContact O-N 3.26Å; F567-I570 PolarHBondContact O-N 3.35Å; F567-L571 HydrophobicContact CE1-CD2 4.33Å; F567-L571 WeakPolarHBondContact O-CB 3.45Å; F567-L571 PolarHBondContact O-N 3.38Å; F567-F579 HydrophobicContact CD2-CD1 4.46Å; F567-F579 AromaticContact CD2-CE1 3.48Å; F567-F579 HydrophobicContact CD2-CE1 3.48Å; F567-F579 VanDerWaalsContact CD2-CE1 3.48Å; F567-F579 HydrophobicContact CD2-CE2 4.29Å; F567-F579 AromaticContact CD2-CZ 3.37Å; F567-F579 HydrophobicContact CD2-CZ 3.37Å; F567-F579 AromaticContact CE2-CE1 3.81Å; F567-F579 HydrophobicContact CE2-CE1 3.81Å; F567-F579 AromaticContact CE2-CE2 3.99Å; F567-F579 HydrophobicContact CE2-CE2 3.99Å; F567-F579 AromaticContact CE2-CZ 3.51Å; F567-F579 HydrophobicContact CE2-CZ 3.51Å; F567-F579 HydrophobicContact CG-CE1 4.44Å; F567-F579 HydrophobicContact CG-CZ 4.11Å; F567-F579 HydrophobicContact CZ-CZ 4.34Å
568R77.5Confident68.4Low183 Ų18380.1 Ų80.169%0.69140%0.4SS*.Hα-helixtrans-67.5-40.8-177.5-159.6-178.3-126.9133.2-1.1112.2I564 D565 C566 R572I564-R568 WeakPolarHBondContact O-CB 3.19Å; I564-R568 PolarHBondContact O-N 3.32Å; D565-R568 PolarHBondContact O-N 3.41Å; C566-R568 PolarHBondContact O-N 3.32Å; R568-R572 WeakPolarHBondContact O-CB 3.43Å; R568-R572 PolarHBondContact O-N 3.48Å; R568-R572 VanDerWaalsContact O-N 3.09Å
569K75.1Confident69.2Low55 Ų5576.7 Ų76.724%0.23938%0.379CS..Hα-helixtrans-66.9-44.4176.5-76170.1175.7162.80111.8T559 Y560 D565 C566 L571 R572 E573T559-K569 PolarHBondContact O-NZ 3.18Å; Y560-K569 HydrophobicContact CD1-CB 4.5Å; Y560-K569 HydrophobicContact CD1-CD 3.75Å; Y560-K569 HydrophobicContact CE1-CB 3.88Å; Y560-K569 HydrophobicContact CE1-CD 3.69Å; Y560-K569 HydrophobicContact CE1-CG 4.43Å; D565-K569 VanDerWaalsContact CG-NZ 3.35Å; D565-K569 WeakPolarHBondContact O-CB 3.19Å; D565-K569 WeakPolarHBondContact O-CG 3.47Å; D565-K569 PolarHBondContact O-N 3.46Å; D565-K569 WeakPolarHBondContact OD1-CE 3.46Å; D565-K569 IonicContact OD1-NZ 2.76Å; D565-K569 PolarHBondContact OD1-NZ 3.16Å; D565-K569 IonicContact OD2-NZ 2.82Å; D565-K569 PolarHBondContact OD2-NZ 3.26Å; C566-K569 PolarHBondContact O-N 3.09Å; K569-L571 PolarHBondContact O-N 3.12Å; K569-R572 PolarHBondContact O-N 3.49Å; K569-E573 VanDerWaalsContact O-CB 3.32Å; K569-E573 WeakPolarHBondContact O-CB 3.34Å; K569-E573 WeakPolarHBondContact O-CG 3.42Å; K569-E573 PolarHBondContact O-N 2.99Å
570I71.8Confident69.8Low3 Ų377.3 Ų77.32%0.01537%0.371CS..Hα-helixtrans-61-44.9176.2-68.7167.5000111V544 I545 R548 C566 F567 R572 E574 G575 A578 F579V544-I570 HydrophobicContact CG1-CD1 4.46Å; I545-I570 HydrophobicContact CG1-CD1 4.43Å; R548-I570 HydrophobicContact CG-CD1 4.42Å; C566-I570 WeakPolarHBondContact O-CB 3.48Å; C566-I570 WeakPolarHBondContact O-CD1 3.34Å; C566-I570 WeakPolarHBondContact O-CG1 3.27Å; C566-I570 PolarHBondContact O-N 3.25Å; C566-I570 VanDerWaalsContact SG-CD1 3.58Å; F567-I570 PolarHBondContact O-N 3.35Å; I570-R572 VanDerWaalsContact C-N 3.29Å; I570-R572 PolarHBondContact O-N 3.11Å; I570-E574 PolarHBondContact O-N 2.72Å; I570-G575 PolarHBondContact O-N 3.21Å; I570-A578 HydrophobicContact CG2-CB 3.99Å; I570-F579 HydrophobicContact CB-CE1 4.25Å; I570-F579 HydrophobicContact CB-CZ 3.89Å; I570-F579 HydrophobicContact CD1-CE1 4.43Å; I570-F579 HydrophobicContact CG2-CD1 4.4Å; I570-F579 HydrophobicContact CG2-CD2 4.45Å; I570-F579 HydrophobicContact CG2-CE1 3.84Å; I570-F579 HydrophobicContact CG2-CE2 3.9Å; I570-F579 HydrophobicContact CG2-CZ 3.57Å
571L76.1Confident69.7Low77 Ų7780.9 Ų80.940%0.40339%0.387SS..Hα-helixtrans-63.8-35.9179.5-170.369.4000112.1F567 K569 F576 F579F567-L571 HydrophobicContact CE1-CD2 4.33Å; F567-L571 WeakPolarHBondContact O-CB 3.45Å; F567-L571 PolarHBondContact O-N 3.38Å; K569-L571 PolarHBondContact O-N 3.12Å; L571-F576 HydrophobicContact CD1-CB 4.25Å; L571-F576 HydrophobicContact CD1-CD2 4.22Å; L571-F579 HydrophobicContact CB-CE2 4.2Å; L571-F579 HydrophobicContact CB-CZ 4.48Å; L571-F579 HydrophobicContact CD1-CE2 3.97Å
572R72.9Confident69.6Low228 Ų22875.1 Ų75.186%0.8636%0.363SS*.Hα-helixtrans-79.8-34.6-179.1-168.3176.1-175.4172.31.7113.5R568 K569 I570R568-R572 WeakPolarHBondContact O-CB 3.43Å; R568-R572 PolarHBondContact O-N 3.48Å; R568-R572 VanDerWaalsContact O-N 3.09Å; K569-R572 PolarHBondContact O-N 3.49Å; I570-R572 VanDerWaalsContact C-N 3.29Å; I570-R572 PolarHBondContact O-N 3.11Å
573E73Confident69.4Low118 Ų11875 Ų7555%0.55136%0.359SS*.Hα-helixtrans-96.5-38.6-173.5-67173.1-176.300113.3K569K569-E573 VanDerWaalsContact O-CB 3.32Å; K569-E573 WeakPolarHBondContact O-CB 3.34Å; K569-E573 WeakPolarHBondContact O-CG 3.42Å; K569-E573 PolarHBondContact O-N 2.99Å
574E62Low68.9Low73 Ų7375.9 Ų75.934%0.34138%0.376SS..THydrogen-bonded Turntrans-115.9-9.6-173.5-61.2-166.8-163.600114.1R548 I570 A578 K581R548-E574 IonicContact NH2-OE1 3.77Å; R548-E574 PolarHBondContact NH2-OE1 3.27Å; R548-E574 IonicContact NH2-OE2 3.28Å; I570-E574 PolarHBondContact O-N 2.72Å; E574-A578 HydrophobicContact CB-CB 3.53Å; E574-K581 IonicContact OE2-NZ 2.82Å
575G71.9Confident68.3Low27 Ų2771.9 Ų71.928%0.27836%0.363SS..  trans78.1175178.800000115I570 S577 A578I570-G575 PolarHBondContact O-N 3.21Å; G575-S577 VanDerWaalsContact C-N 3.31Å; G575-S577 PolarHBondContact O-N 3.35Å; G575-A578 VanDerWaalsContact O-CB 3.28Å; G575-A578 WeakPolarHBondContact O-CB 3.44Å; G575-A578 PolarHBondContact O-N 3.2Å
576F69.6Low67.8Low138 Ų13871.2 Ų71.261%0.60536%0.356SS*.G310 helixtrans-64.5-30.8-173.4-173.3-101.2000113.8L571 A578 F579 W580L571-F576 HydrophobicContact CD1-CB 4.25Å; L571-F576 HydrophobicContact CD1-CD2 4.22Å; F576-A578 PolarHBondContact O-N 3.44Å; F576-F579 PolarHBondContact O-N 3.13Å; F576-W580 HydrophobicContact CE1-CE3 4.41Å; F576-W580 AromaticContact CE1-CZ3 3.94Å; F576-W580 HydrophobicContact CE1-CZ3 3.94Å; F576-W580 HydrophobicContact CE2-CZ3 4.31Å; F576-W580 HydrophobicContact CZ-CH2 4.21Å; F576-W580 AromaticContact CZ-CZ3 3.69Å; F576-W580 HydrophobicContact CZ-CZ3 3.69Å
577S64.3Low67.5Low84 Ų8473 Ų7359%0.58737%0.367SS*.G310 helixtrans-68-18.6179.164.70000113.3G575 F579 W580G575-S577 VanDerWaalsContact C-N 3.31Å; G575-S577 PolarHBondContact O-N 3.35Å; S577-F579 VanDerWaalsContact C-N 3.26Å; S577-F579 PolarHBondContact O-N 2.99Å; S577-W580 PolarHBondContact O-N 3.25Å
578A65.9Low67Low1 Ų175.5 Ų75.51%0.00838%0.378CS..G310 helixtrans-63.7-30.517800000113I570 E574 G575 F576 W580 K581I570-A578 HydrophobicContact CG2-CB 3.99Å; E574-A578 HydrophobicContact CB-CB 3.53Å; G575-A578 VanDerWaalsContact O-CB 3.28Å; G575-A578 WeakPolarHBondContact O-CB 3.44Å; G575-A578 PolarHBondContact O-N 3.2Å; F576-A578 PolarHBondContact O-N 3.44Å; A578-W580 VanDerWaalsContact C-N 3.26Å; A578-W580 PolarHBondContact O-N 2.99Å; A578-K581 WeakPolarHBondContact O-CB 3.4Å; A578-K581 PolarHBondContact O-N 3.24Å
579F67.9Low66.6Low2 Ų267.8 Ų67.81%0.00935%0.349CS..G310 helixtrans-69.7-20.1179.4-69-74000114T540 P541 I545 F567 I570 L571 F576 S577T540-F579 CarbonylContact C-O 3.56Å; T540-F579 WeakPolarHBondContact CG2-O 3.31Å; P541-F579 HydrophobicContact CB-CB 3.99Å; P541-F579 HydrophobicContact CB-CD1 4.07Å; P541-F579 HydrophobicContact CB-CG 4.35Å; P541-F579 HydrophobicContact CG-CB 4.16Å; I545-F579 HydrophobicContact CD1-CE1 4.12Å; I545-F579 HydrophobicContact CG1-CE1 4.06Å; F567-F579 HydrophobicContact CD2-CD1 4.46Å; F567-F579 AromaticContact CD2-CE1 3.48Å; F567-F579 HydrophobicContact CD2-CE1 3.48Å; F567-F579 VanDerWaalsContact CD2-CE1 3.48Å; F567-F579 HydrophobicContact CD2-CE2 4.29Å; F567-F579 AromaticContact CD2-CZ 3.37Å; F567-F579 HydrophobicContact CD2-CZ 3.37Å; F567-F579 AromaticContact CE2-CE1 3.81Å; F567-F579 HydrophobicContact CE2-CE1 3.81Å; F567-F579 AromaticContact CE2-CE2 3.99Å; F567-F579 HydrophobicContact CE2-CE2 3.99Å; F567-F579 AromaticContact CE2-CZ 3.51Å; F567-F579 HydrophobicContact CE2-CZ 3.51Å; F567-F579 HydrophobicContact CG-CE1 4.44Å; F567-F579 HydrophobicContact CG-CZ 4.11Å; F567-F579 HydrophobicContact CZ-CZ 4.34Å; I570-F579 HydrophobicContact CB-CE1 4.25Å; I570-F579 HydrophobicContact CB-CZ 3.89Å; I570-F579 HydrophobicContact CD1-CE1 4.43Å; I570-F579 HydrophobicContact CG2-CD1 4.4Å; I570-F579 HydrophobicContact CG2-CD2 4.45Å; I570-F579 HydrophobicContact CG2-CE1 3.84Å; I570-F579 HydrophobicContact CG2-CE2 3.9Å; I570-F579 HydrophobicContact CG2-CZ 3.57Å; L571-F579 HydrophobicContact CB-CE2 4.2Å; L571-F579 HydrophobicContact CB-CZ 4.48Å; L571-F579 HydrophobicContact CD1-CE2 3.97Å; F576-F579 PolarHBondContact O-N 3.13Å; S577-F579 VanDerWaalsContact C-N 3.26Å; S577-F579 PolarHBondContact O-N 2.99Å
580W67.5Low66.2Low106 Ų10666.3 Ų66.340%0.40235%0.345SS..G310 helixtrans-101.7-0.4177.1-91.2-98.1000113.6S537 P541 F576 S577 A578 G582 A583S537-W580 WeakPolarHBondContact O-CZ2 3.42Å; S537-W580 PolarHBondContact O-NE1 3.45Å; P541-W580 HydrophobicContact CG-CD2 4.48Å; P541-W580 HydrophobicContact CG-CE3 4.16Å; P541-W580 HydrophobicContact CG-CH2 3.65Å; P541-W580 HydrophobicContact CG-CZ2 4Å; P541-W580 HydrophobicContact CG-CZ3 3.75Å; F576-W580 HydrophobicContact CE1-CE3 4.41Å; F576-W580 AromaticContact CE1-CZ3 3.94Å; F576-W580 HydrophobicContact CE1-CZ3 3.94Å; F576-W580 HydrophobicContact CE2-CZ3 4.31Å; F576-W580 HydrophobicContact CZ-CH2 4.21Å; F576-W580 AromaticContact CZ-CZ3 3.69Å; F576-W580 HydrophobicContact CZ-CZ3 3.69Å; S577-W580 PolarHBondContact O-N 3.25Å; A578-W580 VanDerWaalsContact C-N 3.26Å; A578-W580 PolarHBondContact O-N 2.99Å; W580-G582 PolarHBondContact O-N 3.48Å; W580-G582 VanDerWaalsContact O-N 3.09Å; W580-A583 WeakPolarHBondContact O-CB 3.35Å; W580-A583 PolarHBondContact O-N 2.82Å; W580-A583 VanDerWaalsContact O-N 3.17Å
581K58.4Low66Low122 Ų12267.2 Ų67.253%0.5335%0.352SS..THydrogen-bonded Turntrans-62115.1176-74179.4-174.51670109.8E574 A578E574-K581 IonicContact OE2-NZ 2.82Å; A578-K581 WeakPolarHBondContact O-CB 3.4Å; A578-K581 PolarHBondContact O-N 3.24Å
582G57.7Low65.8Low29 Ų2966 Ų6630%0.29935%0.349SS..THydrogen-bonded Turntrans103-0.7178.700000115.6W580 G584 A585 R586W580-G582 PolarHBondContact O-N 3.48Å; W580-G582 VanDerWaalsContact O-N 3.09Å; G582-G584 PolarHBondContact O-N 3.45Å; G582-A585 PolarHBondContact O-N 3.3Å; G582-R586 PolarHBondContact O-N 2.95Å
583A60.9Low65.9Low20 Ų2056.8 Ų56.817%0.16532%0.315CS..Hα-helixtrans-57.2-48.3174.600000112.1T540 W580 A585 R586 V587T540-A583 HydrophobicContact CG2-CB 4.08Å; W580-A583 WeakPolarHBondContact O-CB 3.35Å; W580-A583 PolarHBondContact O-N 2.82Å; W580-A583 VanDerWaalsContact O-N 3.17Å; A583-A585 PolarHBondContact O-N 2.93Å; A583-R586 WeakPolarHBondContact O-CB 3.38Å; A583-R586 PolarHBondContact O-N 3.19Å; A583-R586 VanDerWaalsContact O-N 3.08Å; A583-V587 WeakPolarHBondContact O-CG2 3.5Å; A583-V587 PolarHBondContact O-N 3.46Å
584G60.9Low65.7Low57 Ų5753.2 Ų53.259%0.58830%0.298SS*.Hα-helixtrans-60.6-42.8178.300000113.2G582 R586 V587 F588G582-G584 PolarHBondContact O-N 3.45Å; G584-R586 VanDerWaalsContact C-N 3.28Å; G584-R586 PolarHBondContact O-N 3.48Å; G584-V587 PolarHBondContact O-N 3.29Å; G584-F588 WeakPolarHBondContact O-CB 3.36Å; G584-F588 PolarHBondContact O-N 3.4Å
585A61.8Low66.1Low45 Ų4549.9 Ų49.937%0.37228%0.283SS..Hα-helixtrans-66.6-28.1175.700000112.8K351 G582 A583 R589K351-A585 HydrophobicContact CD-CB 4.21Å; K351-A585 HydrophobicContact CG-CB 4.46Å; G582-A585 PolarHBondContact O-N 3.3Å; A583-A585 PolarHBondContact O-N 2.93Å; A585-R589 VanDerWaalsContact O-CB 3.31Å; A585-R589 WeakPolarHBondContact O-CB 3.49Å; A585-R589 PolarHBondContact O-N 2.95Å
586R63.1Low66.3Low38 Ų3850.7 Ų50.714%0.14328%0.283CS..Hα-helixtrans-71.1-46.6173.3179.9-179.5174.1121.8-0.7111.4D543 G582 A583 G584 R589 S590D543-R586 IonicContact OD1-NH1 3.56Å; D543-R586 PolarHBondContact OD1-NH1 3.04Å; D543-R586 IonicContact OD2-CZ 3.83Å; D543-R586 IonicContact OD2-NH1 3.97Å; D543-R586 PolarHBondContact OD2-NH1 2.82Å; G582-R586 PolarHBondContact O-N 2.95Å; A583-R586 WeakPolarHBondContact O-CB 3.38Å; A583-R586 PolarHBondContact O-N 3.19Å; A583-R586 VanDerWaalsContact O-N 3.08Å; G584-R586 VanDerWaalsContact C-N 3.28Å; G584-R586 PolarHBondContact O-N 3.48Å; R586-R589 PolarHBondContact O-N 3.04Å; R586-S590 VanDerWaalsContact O-CB 3.3Å; R586-S590 WeakPolarHBondContact O-CB 3.39Å; R586-S590 PolarHBondContact O-N 3.22Å; R586-S590 PolarHBondContact O-OG 2.88Å
587V64.2Low66.5Low37 Ų3745.5 Ų45.522%0.22426%0.263CS..Hα-helixtrans-63.1-46.4179.3175.60000110.5V533 A536 A583 G584 R589 S590 S591V533-V587 HydrophobicContact CG2-CG1 4.23Å; V533-V587 HydrophobicContact CG2-CG2 4.17Å; A536-V587 HydrophobicContact CB-CG2 4.32Å; A583-V587 WeakPolarHBondContact O-CG2 3.5Å; A583-V587 PolarHBondContact O-N 3.46Å; G584-V587 PolarHBondContact O-N 3.29Å; V587-R589 PolarHBondContact O-N 3.44Å; V587-S590 PolarHBondContact O-N 3.3Å; V587-S591 WeakPolarHBondContact O-CB 3.36Å; V587-S591 PolarHBondContact O-N 3.5Å; V587-S591 VanDerWaalsContact O-N 3.13Å
588F65.5Low66.6Low142 Ų14242.8 Ų42.862%0.62324%0.242SC*.Hα-helixtrans-62.8-29.6-179.9-167.2-99.7000113.4I347 G584 P592I347-F588 HydrophobicContact CD1-CE1 4.38Å; G584-F588 WeakPolarHBondContact O-CB 3.36Å; G584-F588 PolarHBondContact O-N 3.4Å; F588-P592 WeakPolarHBondContact O-CD 2.86Å; F588-P592 WeakPolarHBondContact O-CG 3.43Å
589R68.4Low67Low21 Ų2143.9 Ų43.98%0.07925%0.248CC..Hα-helixtrans-82.2-45.2174.5-176.8-139.7150.651.1-13.3112.4V344 I347 D348 A585 R586 V587 S591 P592 Q593V344-R589 HydrophobicContact CG1-CB 4.37Å; V344-R589 HydrophobicContact CG1-CG 3.52Å; V344-R589 WeakPolarHBondContact CG1-O 3.31Å; V344-R589 PolarHBondContact O-NH1 3.36Å; I347-R589 HydrophobicContact CG2-CB 4.19Å; I347-R589 HydrophobicContact CG2-CG 4.32Å; D348-R589 VanDerWaalsContact CG-NH2 3.34Å; D348-R589 WeakPolarHBondContact OD1-CD 3.34Å; D348-R589 IonicContact OD1-CZ 3.91Å; D348-R589 IonicContact OD1-NE 3.74Å; D348-R589 PolarHBondContact OD1-NE 3.43Å; D348-R589 IonicContact OD1-NH1 2.9Å; D348-R589 PolarHBondContact OD1-NH1 2.98Å; D348-R589 IonicContact OD1-NH2 2.69Å; D348-R589 IonicContact OD2-CZ 3.77Å; D348-R589 IonicContact OD2-NE 3.79Å; D348-R589 IonicContact OD2-NH1 2.77Å; D348-R589 PolarHBondContact OD2-NH1 3.24Å; D348-R589 IonicContact OD2-NH2 2.88Å; D348-R589 PolarHBondContact OD2-NH2 2.89Å; A585-R589 VanDerWaalsContact O-CB 3.31Å; A585-R589 WeakPolarHBondContact O-CB 3.49Å; A585-R589 PolarHBondContact O-N 2.95Å; R586-R589 PolarHBondContact O-N 3.04Å; V587-R589 PolarHBondContact O-N 3.44Å; R589-S591 PolarHBondContact O-N 2.79Å; R589-P592 WeakPolarHBondContact O-CD 3.3Å; R589-Q593 PolarHBondContact O-N 3.41Å
590S65.6Low67.3Low24 Ų2445 Ų4517%0.16826%0.255CS..Hα-helixtrans-69.1-39-170.4-54.60000111.7R586 V587 Q593 F594R586-S590 VanDerWaalsContact O-CB 3.3Å; R586-S590 WeakPolarHBondContact O-CB 3.39Å; R586-S590 PolarHBondContact O-N 3.22Å; R586-S590 PolarHBondContact O-OG 2.88Å; V587-S590 PolarHBondContact O-N 3.3Å; S590-Q593 PolarHBondContact O-N 3.24Å; S590-F594 WeakPolarHBondContact O-CD2 3.38Å; S590-F594 PolarHBondContact O-N 3.08Å
591S69.1Low67.4Low22 Ų2242.3 Ų42.315%0.15425%0.245CC..Hα-helixtrans-60.9-50.4-176.61720000113.2A526 V587 R589 Q593 F594 G595A526-S591 WeakPolarHBondContact CA-OG 3.33Å; V587-S591 WeakPolarHBondContact O-CB 3.36Å; V587-S591 PolarHBondContact O-N 3.5Å; V587-S591 VanDerWaalsContact O-N 3.13Å; R589-S591 PolarHBondContact O-N 2.79Å; S591-Q593 VanDerWaalsContact C-N 3.34Å; S591-Q593 PolarHBondContact O-N 3.36Å; S591-F594 PolarHBondContact O-N 3.38Å; S591-G595 PolarHBondContact O-N 3.42Å; S591-G595 VanDerWaalsContact O-N 3.14Å
592P72.1Confident67.7Low52 Ų5237.6 Ų37.634%0.33823%0.225SC..Hα-helixtrans-62.9-37173.7-24.333.6000113.7V344 F588 R589 F594 G595 V596V344-P592 HydrophobicContact CG2-CB 3.97Å; F588-P592 WeakPolarHBondContact O-CD 2.86Å; F588-P592 WeakPolarHBondContact O-CG 3.43Å; R589-P592 WeakPolarHBondContact O-CD 3.3Å; P592-F594 PolarHBondContact O-N 2.86Å; P592-G595 PolarHBondContact O-N 2.93Å; P592-V596 WeakPolarHBondContact O-CG2 3.38Å; P592-V596 PolarHBondContact O-N 3.43Å
593Q73.7Confident68.3Low34 Ų3439.4 Ų39.416%0.15923%0.227CC..Hα-helixtrans-63.8-44.1-177.8-173.7-179.6-6.800110.7V344 R589 S590 S591 T597V344-Q593 HydrophobicContact CB-CB 4.26Å; V344-Q593 HydrophobicContact CG2-CB 3.73Å; V344-Q593 HydrophobicContact CG2-CG 4.4Å; R589-Q593 PolarHBondContact O-N 3.41Å; S590-Q593 PolarHBondContact O-N 3.24Å; S591-Q593 VanDerWaalsContact C-N 3.34Å; S591-Q593 PolarHBondContact O-N 3.36Å; Q593-T597 WeakPolarHBondContact O-CB 3.46Å; Q593-T597 PolarHBondContact O-N 3.43Å; Q593-T597 VanDerWaalsContact O-N 3.07Å; Q593-T597 PolarHBondContact O-OG1 2.95Å
594F69.3Low68.9Low43 Ų4339.7 Ų39.719%0.18923%0.226CC..Hα-helixtrans-68.1-43.4177.7-72.3-59.3000112.3F494 Y498 S590 S591 P592 V596 T597 L598F494-F594 HydrophobicContact CZ-CZ 4.13Å; Y498-F594 HydrophobicContact CE2-CD1 4.16Å; Y498-F594 AromaticContact CE2-CE1 3.76Å; Y498-F594 HydrophobicContact CE2-CE1 3.76Å; Y498-F594 HydrophobicContact CE2-CE2 4.36Å; Y498-F594 AromaticContact CE2-CZ 3.89Å; Y498-F594 HydrophobicContact CE2-CZ 3.89Å; Y498-F594 AromaticContact CZ-CE1 3.88Å; S590-F594 WeakPolarHBondContact O-CD2 3.38Å; S590-F594 PolarHBondContact O-N 3.08Å; S591-F594 PolarHBondContact O-N 3.38Å; P592-F594 PolarHBondContact O-N 2.86Å; F594-V596 PolarHBondContact O-N 3.25Å; F594-T597 PolarHBondContact O-N 3.44Å; F594-L598 WeakPolarHBondContact O-CB 3.42Å; F594-L598 VanDerWaalsContact O-CG 3.3Å; F594-L598 WeakPolarHBondContact O-CG 3.31Å; F594-L598 PolarHBondContact O-N 3.28Å
595G69.9Low69Low3 Ų338.7 Ų38.73%0.03121%0.206CC..Hα-helixtrans-56.9-50176.800000112.6S591 P592 L598 V599S591-G595 PolarHBondContact O-N 3.42Å; S591-G595 VanDerWaalsContact O-N 3.14Å; P592-G595 PolarHBondContact O-N 2.93Å; G595-L598 PolarHBondContact O-N 3.37Å; G595-V599 WeakPolarHBondContact O-CG2 3.3Å; G595-V599 PolarHBondContact O-N 3.25Å; G595-V599 VanDerWaalsContact O-N 3.08Å
596V76.7Confident69.1Low44 Ų4442.8 Ų42.827%0.26721%0.212SC..Hα-helixtrans-66.3-40.5179.7176.20000111.8T339 A343 P592 F594 L598 T600T339-V596 HydrophobicContact CG2-CG1 4.24Å; A343-V596 HydrophobicContact CB-CB 4.41Å; A343-V596 HydrophobicContact CB-CG1 3.99Å; A343-V596 HydrophobicContact CB-CG2 4.2Å; P592-V596 WeakPolarHBondContact O-CG2 3.38Å; P592-V596 PolarHBondContact O-N 3.43Å; F594-V596 PolarHBondContact O-N 3.25Å; V596-L598 PolarHBondContact O-N 3.02Å; V596-T600 VanDerWaalsContact O-CB 3.31Å; V596-T600 WeakPolarHBondContact O-CB 3.45Å; V596-T600 PolarHBondContact O-N 3.37Å; V596-T600 PolarHBondContact O-OG1 3.43Å
597T73.7Confident69.4Low30 Ų3048.7 Ų48.718%0.18424%0.239CC..Hα-helixtrans-60.7-46.8178-57.10000110.9A336 Q593 F594 T600 Y601A336-T597 HydrophobicContact CB-CG2 4.28Å; Q593-T597 WeakPolarHBondContact O-CB 3.46Å; Q593-T597 PolarHBondContact O-N 3.43Å; Q593-T597 VanDerWaalsContact O-N 3.07Å; Q593-T597 PolarHBondContact O-OG1 2.95Å; F594-T597 PolarHBondContact O-N 3.44Å; T597-T600 PolarHBondContact O-N 3.03Å; T597-Y601 WeakPolarHBondContact O-CB 3.37Å; T597-Y601 PolarHBondContact O-N 3.38Å
598L66.2Low69.5Low27 Ų2753 Ų5314%0.14126%0.255CS..Hα-helixtrans-66.2-46.6-178.4-72.2170.2000112.1Y502 F594 G595 V596 T600 Y601 E602Y502-L598 HydrophobicContact CE2-CD1 4.28Å; Y502-L598 HydrophobicContact CE2-CD2 3.86Å; F594-L598 WeakPolarHBondContact O-CB 3.42Å; F594-L598 VanDerWaalsContact O-CG 3.3Å; F594-L598 WeakPolarHBondContact O-CG 3.31Å; F594-L598 PolarHBondContact O-N 3.28Å; G595-L598 PolarHBondContact O-N 3.37Å; V596-L598 PolarHBondContact O-N 3.02Å; L598-T600 VanDerWaalsContact C-N 3.3Å; L598-T600 PolarHBondContact O-N 2.9Å; L598-Y601 PolarHBondContact O-N 3.07Å; L598-E602 PolarHBondContact O-N 3.32Å
599V73.7Confident69.1Low24 Ų2452.5 Ų52.515%0.14525%0.25CC..Hα-helixtrans-59.4-44.4176.5171.10000110.7P518 L521 L522 G595 E602 L603P518-V599 WeakPolarHBondContact O-CG2 3.47Å; L521-V599 HydrophobicContact CB-CG2 4.07Å; L522-V599 HydrophobicContact CB-CG2 4.17Å; G595-V599 WeakPolarHBondContact O-CG2 3.3Å; G595-V599 PolarHBondContact O-N 3.25Å; G595-V599 VanDerWaalsContact O-N 3.08Å; V599-E602 PolarHBondContact O-N 2.91Å; V599-L603 HydrophobicContact CG1-CD1 3.85Å; V599-L603 HydrophobicContact CG1-CG 4.36Å; V599-L603 WeakPolarHBondContact O-CB 3.33Å; V599-L603 VanDerWaalsContact O-CG 3.27Å; V599-L603 WeakPolarHBondContact O-CG 3.25Å; V599-L603 PolarHBondContact O-N 3.28Å
600T75.4Confident68.8Low24 Ų2455.9 Ų55.915%0.14727%0.268CS..Hα-helixtrans-64.7-42.3178.8-53.10000111.2A336 T339 V596 T597 L598 E602 L603 L604A336-T600 HydrophobicContact CB-CG2 4.2Å; T339-T600 HydrophobicContact CG2-CG2 4.11Å; V596-T600 VanDerWaalsContact O-CB 3.31Å; V596-T600 WeakPolarHBondContact O-CB 3.45Å; V596-T600 PolarHBondContact O-N 3.37Å; V596-T600 PolarHBondContact O-OG1 3.43Å; T597-T600 PolarHBondContact O-N 3.03Å; L598-T600 VanDerWaalsContact C-N 3.3Å; L598-T600 PolarHBondContact O-N 2.9Å; T600-E602 PolarHBondContact O-N 3.43Å; T600-L603 PolarHBondContact O-N 3.3Å; T600-L604 HydrophobicContact CG2-CD1 3.87Å; T600-L604 HydrophobicContact CG2-CG 4.26Å; T600-L604 VanDerWaalsContact O-CB 3.3Å; T600-L604 WeakPolarHBondContact O-CB 3.46Å; T600-L604 WeakPolarHBondContact O-CG 3.31Å; T600-L604 PolarHBondContact O-N 2.87Å
601Y68.9Low68.2Low51 Ų5159 Ų5920%0.228%0.283CS..Hα-helixtrans-60.9-45.6178.4-173.7-107000112L332 A336 T597 L598 L604 Q605L332-Y601 HydrophobicContact CB-CD2 4.41Å; L332-Y601 HydrophobicContact CB-CE2 4.16Å; A336-Y601 HydrophobicContact CB-CD2 4.1Å; A336-Y601 HydrophobicContact CB-CG 4.41Å; T597-Y601 WeakPolarHBondContact O-CB 3.37Å; T597-Y601 PolarHBondContact O-N 3.38Å; L598-Y601 PolarHBondContact O-N 3.07Å; Y601-L604 PolarHBondContact O-N 2.96Å; Y601-Q605 VanDerWaalsContact CE1-CD 3.49Å; Y601-Q605 HydrophobicContact CE1-CG 4.25Å; Y601-Q605 WeakPolarHBondContact O-CG 3.31Å; Y601-Q605 PolarHBondContact O-N 3.39Å; Y601-Q605 PolarHBondContact OH-NE2 3.3Å
602E64.5Low67.4Low22 Ų2260.2 Ų60.210%0.10329%0.286CS..Hα-helixtrans-68.1-41.8177.8-77.2-150.2-166.200113.3L521 L598 V599 T600 L604 Q605 R606L521-E602 HydrophobicContact CD1-CB 4.1Å; L521-E602 HydrophobicContact CD1-CG 3.92Å; L521-E602 WeakPolarHBondContact CD1-OE1 3.46Å; L521-E602 WeakPolarHBondContact CD1-OE2 3.34Å; L521-E602 WeakPolarHBondContact CD2-OE1 3.38Å; L598-E602 PolarHBondContact O-N 3.32Å; V599-E602 PolarHBondContact O-N 2.91Å; T600-E602 PolarHBondContact O-N 3.43Å; E602-L604 VanDerWaalsContact C-N 3.3Å; E602-L604 PolarHBondContact O-N 2.92Å; E602-Q605 PolarHBondContact O-N 3Å; E602-R606 WeakPolarHBondContact O-CB 3.21Å; E602-R606 VanDerWaalsContact O-CG 3.28Å; E602-R606 WeakPolarHBondContact O-CG 3.4Å; E602-R606 PolarHBondContact O-N 2.88Å; E602-R606 IonicContact OE2-CZ 2.65Å; E602-R606 IonicContact OE2-NE 2.93Å; E602-R606 IonicContact OE2-NH2 3.64Å; E602-R606 PolarHBondContact OE2-NH2 2.98Å
603L71.9Confident66Low68 Ų6858.6 Ų58.636%0.35628%0.278SS..Hα-helixtrans-60.9-43.6175.1-71.4174.8000110.7V599 T600 Q605 R606 F607V599-L603 HydrophobicContact CG1-CD1 3.85Å; V599-L603 HydrophobicContact CG1-CG 4.36Å; V599-L603 WeakPolarHBondContact O-CB 3.33Å; V599-L603 VanDerWaalsContact O-CG 3.27Å; V599-L603 WeakPolarHBondContact O-CG 3.25Å; V599-L603 PolarHBondContact O-N 3.28Å; T600-L603 PolarHBondContact O-N 3.3Å; L603-Q605 PolarHBondContact O-N 3.2Å; L603-R606 PolarHBondContact O-N 3.34Å; L603-F607 HydrophobicContact CB-CD2 4.37Å; L603-F607 HydrophobicContact CB-CE2 4.42Å; L603-F607 HydrophobicContact CD2-CE2 4.33Å; L603-F607 WeakPolarHBondContact O-CB 3.45Å; L603-F607 WeakPolarHBondContact O-CD2 3.43Å; L603-F607 PolarHBondContact O-N 3.4Å
604L71.9Confident64.7Low26 Ų2657.5 Ų57.514%0.13628%0.276CS..Hα-helixtrans-62.9-41.4176.5-74.4173.4000112.3L332 I335 A336 T600 Y601 E602 R606 F607 F608L332-L604 HydrophobicContact CD2-CB 3.87Å; I335-L604 HydrophobicContact CB-CD1 3.9Å; I335-L604 HydrophobicContact CG2-CD1 3.67Å; A336-L604 HydrophobicContact CB-CD1 4.35Å; T600-L604 HydrophobicContact CG2-CD1 3.87Å; T600-L604 HydrophobicContact CG2-CG 4.26Å; T600-L604 VanDerWaalsContact O-CB 3.3Å; T600-L604 WeakPolarHBondContact O-CB 3.46Å; T600-L604 WeakPolarHBondContact O-CG 3.31Å; T600-L604 PolarHBondContact O-N 2.87Å; Y601-L604 PolarHBondContact O-N 2.96Å; E602-L604 VanDerWaalsContact C-N 3.3Å; E602-L604 PolarHBondContact O-N 2.92Å; L604-R606 VanDerWaalsContact C-N 3.35Å; L604-F607 PolarHBondContact O-N 3.35Å; L604-F608 HydrophobicContact CD2-CD2 4.13Å; L604-F608 HydrophobicContact CD2-CE2 4.15Å; L604-F608 WeakPolarHBondContact O-CB 3.47Å; L604-F608 PolarHBondContact O-N 2.86Å
605Q64.3Low63.3Low36 Ų3661.8 Ų61.817%0.16830%0.297CS..Hα-helixtrans-64.2-38.1174.1-77.6-170.9-17.400112.7L332 Y601 E602 L603 Y609L332-Q605 HydrophobicContact CD1-CG 4.08Å; Y601-Q605 VanDerWaalsContact CE1-CD 3.49Å; Y601-Q605 HydrophobicContact CE1-CG 4.25Å; Y601-Q605 WeakPolarHBondContact O-CG 3.31Å; Y601-Q605 PolarHBondContact O-N 3.39Å; Y601-Q605 PolarHBondContact OH-NE2 3.3Å; E602-Q605 PolarHBondContact O-N 3Å; L603-Q605 PolarHBondContact O-N 3.2Å; Q605-Y609 PolarHBondContact O-N 2.94Å
606R63.8Low62.1Low130 Ų13067.4 Ų67.449%0.49132%0.317SS..Hα-helixtrans-69.2-40177.4-72176.4-164.4-165.87.5112.1L516 E602 L603 L604L516-R606 PolarHBondContact O-NH2 3.28Å; E602-R606 WeakPolarHBondContact O-CB 3.21Å; E602-R606 VanDerWaalsContact O-CG 3.28Å; E602-R606 WeakPolarHBondContact O-CG 3.4Å; E602-R606 PolarHBondContact O-N 2.88Å; E602-R606 IonicContact OE2-CZ 2.65Å; E602-R606 IonicContact OE2-NE 2.93Å; E602-R606 IonicContact OE2-NH2 3.64Å; E602-R606 PolarHBondContact OE2-NH2 2.98Å; L603-R606 PolarHBondContact O-N 3.34Å; L604-R606 VanDerWaalsContact C-N 3.35Å
607F68.8Low60.3Low163 Ų16367.7 Ų67.772%0.71532%0.32SS*.Hα-helixtrans-80.1-34.2-178.1-77.5-62.1000113.7L603 L604L603-F607 HydrophobicContact CB-CD2 4.37Å; L603-F607 HydrophobicContact CB-CE2 4.42Å; L603-F607 HydrophobicContact CD2-CE2 4.33Å; L603-F607 WeakPolarHBondContact O-CB 3.45Å; L603-F607 WeakPolarHBondContact O-CD2 3.43Å; L603-F607 PolarHBondContact O-N 3.4Å; L604-F607 PolarHBondContact O-N 3.35Å
608F66.8Low58.5Low127 Ų12770 Ų7056%0.55734%0.342SS*.SBendtrans-111.931.3-174.2-68.8-76.8000113.6Y328 L604 I610Y328-F608 PolarHBondContact OH-O 3.29Å; L604-F608 HydrophobicContact CD2-CD2 4.13Å; L604-F608 HydrophobicContact CD2-CE2 4.15Å; L604-F608 WeakPolarHBondContact O-CB 3.47Å; L604-F608 PolarHBondContact O-N 2.86Å; F608-I610 PolarHBondContact O-N 3.32Å; F608-I610 VanDerWaalsContact O-N 3.11Å
609Y57.6Low57.2Low132 Ų13270 Ų7052%0.51835%0.348SS..  trans-56116-176.9-178.7-100.7000112.9Q605 D611 R616Q605-Y609 PolarHBondContact O-N 2.94Å; Y609-D611 HydrophobicContact CE1-CB 3.93Å; Y609-R616 VanDerWaalsContact OH-CZ 3.24Å; Y609-R616 PolarHBondContact OH-NH2 3.27Å
610I60.6Low55.5Low91 Ų9170.5 Ų70.547%0.46735%0.353SS..  trans-122.7119.5170.3-59.2170000107.2Y328 F608 F612Y328-I610 HydrophobicContact CD2-CD1 4.15Å; Y328-I610 HydrophobicContact CE2-CB 4.47Å; Y328-I610 HydrophobicContact CE2-CD1 3.95Å; Y328-I610 HydrophobicContact CE2-CG1 4.31Å; F608-I610 PolarHBondContact O-N 3.32Å; F608-I610 VanDerWaalsContact O-N 3.11Å; I610-F612 HydrophobicContact CB-CD2 4.23Å; I610-F612 HydrophobicContact CB-CE2 3.6Å; I610-F612 HydrophobicContact CB-CZ 4Å; I610-F612 HydrophobicContact CD1-CZ 4.38Å; I610-F612 HydrophobicContact CG2-CD1 4.37Å; I610-F612 HydrophobicContact CG2-CD2 3.94Å; I610-F612 HydrophobicContact CG2-CE1 3.89Å; I610-F612 HydrophobicContact CG2-CE2 3.41Å; I610-F612 VanDerWaalsContact CG2-CE2 3.41Å; I610-F612 HydrophobicContact CG2-CG 4.4Å; I610-F612 HydrophobicContact CG2-CZ 3.39Å; I610-F612 WeakPolarHBondContact O-CD2 3.45Å; I610-F612 PolarHBondContact O-N 3.47Å
611D54.1Low53.8Low89 Ų8974.4 Ų74.448%0.47637%0.369SS..  trans-83100.6179.8-166.110.7000110.2Y609 G613 R616Y609-D611 HydrophobicContact CE1-CB 3.93Å; D611-G613 VanDerWaalsContact C-N 3.29Å; D611-G613 PolarHBondContact OD1-N 3.11Å; D611-R616 IonicContact OD1-CZ 3.7Å; D611-R616 IonicContact OD1-NE 2.89Å; D611-R616 IonicContact OD1-NH2 2.77Å; D611-R616 PolarHBondContact OD1-NH2 3.21Å; D611-R616 IonicContact OD2-NH2 3.71Å; D611-R616 PolarHBondContact OD2-NH2 3.19Å
612F52.1Low52.1Low48 Ų4875.4 Ų75.421%0.21138%0.382CS..  trans-87.13.6175.4-67.2-78.6000113L321 A324 E325 Y328 I610 G614L321-F612 HydrophobicContact CD1-CD1 4.42Å; A324-F612 HydrophobicContact CB-CE1 4.46Å; E325-F612 HydrophobicContact CB-CB 4.06Å; E325-F612 HydrophobicContact CB-CD2 4.46Å; E325-F612 HydrophobicContact CB-CG 4.18Å; E325-F612 HydrophobicContact CG-CB 4.2Å; Y328-F612 HydrophobicContact CD1-CD2 4.17Å; Y328-F612 AromaticContact CD1-CE2 3.66Å; Y328-F612 HydrophobicContact CD1-CE2 3.66Å; Y328-F612 HydrophobicContact CD2-CE2 4.13Å; Y328-F612 HydrophobicContact CE1-CE2 4.25Å; Y328-F612 HydrophobicContact CG-CD2 4.5Å; Y328-F612 AromaticContact CG-CE2 3.59Å; Y328-F612 HydrophobicContact CG-CE2 3.59Å; Y328-F612 HydrophobicContact CG-CZ 4.27Å; I610-F612 HydrophobicContact CB-CD2 4.23Å; I610-F612 HydrophobicContact CB-CE2 3.6Å; I610-F612 HydrophobicContact CB-CZ 4Å; I610-F612 HydrophobicContact CD1-CZ 4.38Å; I610-F612 HydrophobicContact CG2-CD1 4.37Å; I610-F612 HydrophobicContact CG2-CD2 3.94Å; I610-F612 HydrophobicContact CG2-CE1 3.89Å; I610-F612 HydrophobicContact CG2-CE2 3.41Å; I610-F612 VanDerWaalsContact CG2-CE2 3.41Å; I610-F612 HydrophobicContact CG2-CG 4.4Å; I610-F612 HydrophobicContact CG2-CZ 3.39Å; I610-F612 WeakPolarHBondContact O-CD2 3.45Å; I610-F612 PolarHBondContact O-N 3.47Å; F612-G614 PolarHBondContact O-N 2.72Å
613G43.2Very low50.5Low18 Ų1877.5 Ų77.519%0.18639%0.393CS..SBendtrans64.222.6177.200000114.9H313 R317 D611H313-G613 PolarHBondContact CE1-O 2.92Å; H313-G613 PolarHBondContact ND1-O 3.31Å; R317-G613 PolarHBondContact NE-O 3.14Å; R317-G613 PolarHBondContact NH2-O 3.42Å; D611-G613 VanDerWaalsContact C-N 3.29Å; D611-G613 PolarHBondContact OD1-N 3.11Å
614G45.1Very low48.5Very low11 Ų1177.9 Ų77.911%0.11340%0.4CS..SBendtrans-93.8179.3179.100000114.9F612 R616F612-G614 PolarHBondContact O-N 2.72Å; G614-R616 PolarHBondContact O-N 2.91Å
615H39.4Very low46.4Very low134 Ų13485.7 Ų85.762%0.6243%0.433SS*.  trans-63.8104.4169.3-96.3-68.4000108.8R329R329-H615 PolarHBondContact NH2-O 2.68Å
616R45.3Very low44.8Very low121 Ų12187 Ų8746%0.45744%0.444SS..PPolyproline II helixtrans-66133.6179.5-62.9-179.2-179.5177.41.1108.9Y609 D611 G614 A618Y609-R616 VanDerWaalsContact OH-CZ 3.24Å; Y609-R616 PolarHBondContact OH-NH2 3.27Å; D611-R616 IonicContact OD1-CZ 3.7Å; D611-R616 IonicContact OD1-NE 2.89Å; D611-R616 IonicContact OD1-NH2 2.77Å; D611-R616 PolarHBondContact OD1-NH2 3.21Å; D611-R616 IonicContact OD2-NH2 3.71Å; D611-R616 PolarHBondContact OD2-NH2 3.19Å; G614-R616 PolarHBondContact O-N 2.91Å; R616-A618 PolarHBondContact O-N 3.12Å
617P38.3Very low43.5Very low50 Ų5084.5 Ų84.533%0.32545%0.452SS..PPolyproline II helixtrans-60.8133.7179.718.8-24.9000109.9G619 S620P617-G619 PolarHBondContact O-N 2.99Å; P617-S620 WeakPolarHBondContact CD-OG 3.38Å; P617-S620 PolarHBondContact O-N 3.45Å; P617-S620 PolarHBondContact O-OG 2.89Å
618A37.6Very low42.2Very low78 Ų7877.6 Ų77.665%0.64542%0.423SS*.THydrogen-bonded Turntrans-47.5125.2179.600000110.4K506 R616K506-A618 WeakPolarHBondContact CE-O 3.48Å; K506-A618 PolarHBondContact NZ-O 3.13Å; R616-A618 PolarHBondContact O-N 3.12Å
619G38.1Very low40.6Very low26 Ų2680.9 Ų80.927%0.26844%0.437SS..THydrogen-bonded Turntrans86.214.2-176.500000116.8P617 E621P617-G619 PolarHBondContact O-N 2.99Å; G619-E621 VanDerWaalsContact C-N 3.34Å
620S37.8Very low39.8Very low36 Ų3680.2 Ų80.225%0.25244%0.442SS..  trans-97.611.516057.40000112.3P617 P622P617-S620 WeakPolarHBondContact CD-OG 3.38Å; P617-S620 PolarHBondContact O-N 3.45Å; P617-S620 PolarHBondContact O-OG 2.89Å; S620-P622 WeakPolarHBondContact O-CD 3.4Å
621E40.7Very low39.1Very low106 Ų10679.6 Ų79.650%0.49544%0.436SS..  trans-68.1117.8172.9-65.2173.8-160.700109.2G619 I623G619-E621 VanDerWaalsContact C-N 3.34Å; E621-I623 VanDerWaalsContact C-N 3.32Å; E621-I623 HydrophobicContact CB-CG1 4.36Å
622P31.8Very low39Very low72 Ų7277.4 Ų77.447%0.46843%0.427SS..  -65.8110.2116.429.3-21.8000104.5S620 P624S620-P622 WeakPolarHBondContact O-CD 3.4Å; P622-P624 WeakPolarHBondContact O-CD 3.32Å
623I31.9Very low38.9Very low65 Ų6580 Ų8033%0.33345%0.45SS..  trans-46.2119.3158.5-54.3169.6000102.9E621 K625E621-I623 VanDerWaalsContact C-N 3.32Å; E621-I623 HydrophobicContact CB-CG1 4.36Å; I623-K625 PolarHBondContact O-N 3.09Å
624P30.6Very low39.6Very low76 Ų7683.7 Ų83.749%0.49447%0.469SS..  trans-48.9119.7166.9-15.425.8000102.8P622 P626P622-P624 WeakPolarHBondContact O-CD 3.32Å; P624-P626 WeakPolarHBondContact O-CD 3.49Å
625K25.8Very low40.4Very low191 Ų19186 Ų8683%0.8348%0.481SS*.  trans-41.8118.9176.7-74.3177.4178.9176.80104.1I623 A627I623-K625 PolarHBondContact O-N 3.09Å; K625-A627 PolarHBondContact O-N 3.47Å
626P31.9Very low41.4Very low63 Ų6384.2 Ų84.241%0.40949%0.49SS..  trans-55.2108.9155.124.1-28.9000101.1P624 V628P624-P626 WeakPolarHBondContact O-CD 3.49Å; P626-V628 CarbonylContact O-C 3.44Å; P626-V628 PolarHBondContact O-N 3.37Å
627A36.6Very low42.5Very low78 Ų7880.2 Ų80.265%0.64548%0.477SS*.SBendtrans-57.6-10.5176.400000109.3K625K625-A627 PolarHBondContact O-N 3.47Å
628V41.5Very low44.3Very low18 Ų1878.5 Ų78.511%0.10947%0.465CS..  trans-104.391.2169-158.40000110.5P626 D630 F631 R654P626-V628 CarbonylContact O-C 3.44Å; P626-V628 PolarHBondContact O-N 3.37Å; V628-D630 HydrophobicContact CG1-CB 4.02Å; V628-D630 PolarHBondContact O-N 3.1Å; V628-D630 VanDerWaalsContact O-N 3.16Å; V628-F631 HydrophobicContact CB-CD2 3.47Å; V628-F631 VanDerWaalsContact CB-CD2 3.47Å; V628-F631 HydrophobicContact CB-CE2 3.46Å; V628-F631 VanDerWaalsContact CB-CE2 3.46Å; V628-F631 HydrophobicContact CB-CG 4.46Å; V628-F631 HydrophobicContact CB-CZ 4.41Å; V628-F631 HydrophobicContact CG1-CD1 4.42Å; V628-F631 HydrophobicContact CG1-CD2 3.34Å; V628-F631 HydrophobicContact CG1-CE1 4.38Å; V628-F631 HydrophobicContact CG1-CE2 3.31Å; V628-F631 HydrophobicContact CG1-CG 3.93Å; V628-F631 HydrophobicContact CG1-CZ 3.84Å; V628-F631 HydrophobicContact CG2-CD2 4.07Å; V628-F631 HydrophobicContact CG2-CE2 3.54Å; V628-F631 HydrophobicContact CG2-CZ 4.39Å; V628-R654 VanDerWaalsContact CG1-NH2 3.31Å
629K32.7Very low46.1Very low195 Ų19575.4 Ų75.485%0.84844%0.438SS*.THydrogen-bonded Turntrans-65.3-1.8164.8-85.5-175169.5-1700113.7
630D40.3Very low48Very low119 Ų11974.6 Ų74.664%0.63643%0.43SS*.THydrogen-bonded Turntrans-107.31.4-164.7-65.9-15.4000114.9V628V628-D630 HydrophobicContact CG1-CB 4.02Å; V628-D630 PolarHBondContact O-N 3.1Å; V628-D630 VanDerWaalsContact O-N 3.16Å
631F47.3Very low49.5Very low78 Ų7872.9 Ų72.934%0.34242%0.418SS..PPolyproline II helixtrans-85.3128.7178.4-71.8-55.8000111.4V628 A646 A650V628-F631 HydrophobicContact CB-CD2 3.47Å; V628-F631 VanDerWaalsContact CB-CD2 3.47Å; V628-F631 HydrophobicContact CB-CE2 3.46Å; V628-F631 VanDerWaalsContact CB-CE2 3.46Å; V628-F631 HydrophobicContact CB-CG 4.46Å; V628-F631 HydrophobicContact CB-CZ 4.41Å; V628-F631 HydrophobicContact CG1-CD1 4.42Å; V628-F631 HydrophobicContact CG1-CD2 3.34Å; V628-F631 HydrophobicContact CG1-CE1 4.38Å; V628-F631 HydrophobicContact CG1-CE2 3.31Å; V628-F631 HydrophobicContact CG1-CG 3.93Å; V628-F631 HydrophobicContact CG1-CZ 3.84Å; V628-F631 HydrophobicContact CG2-CD2 4.07Å; V628-F631 HydrophobicContact CG2-CE2 3.54Å; V628-F631 HydrophobicContact CG2-CZ 4.39Å; F631-A646 HydrophobicContact CD1-CB 4.41Å; F631-A650 HydrophobicContact CE1-CB 3.31Å; F631-A650 HydrophobicContact CZ-CB 3.54Å
632P51.9Low51.4Low43 Ų4368 Ų6828%0.27940%0.395SS..PPolyproline II helixtrans-61.4148.4172.525.8-31.9000110.2L44 L46 V634 A646L44-P632 WeakPolarHBondContact O-CG 3.2Å; L46-P632 HydrophobicContact CD2-CG 4Å; P632-V634 PolarHBondContact O-N 2.8Å; P632-A646 HydrophobicContact CG-CB 4.33Å
633S49.9Very low53.6Low101 Ų10171.8 Ų71.871%0.70640%0.4SS*.PPolyproline II helixtrans-62.9132.1177.2500000110.3T635S633-T635 PolarHBondContact O-N 2.74Å
634V57.9Low55.4Low96 Ų9669.7 Ų69.758%0.58239%0.389SS*.  trans-66.5100.8175.3-177.10000108.2P632 H638 R643P632-V634 PolarHBondContact O-N 2.8Å; V634-H638 HydrophobicContact CG1-CB 3.8Å; V634-R643 HydrophobicContact CG1-CG 4.19Å
635T60.8Low57.5Low60 Ų6066 Ų6637%0.36837%0.366SS..  trans-67.2156.7172.829.80000111.7S633 D637 H638S633-T635 PolarHBondContact O-N 2.74Å; T635-D637 PolarHBondContact O-N 3.33Å; T635-H638 PolarHBondContact N-ND1 3.31Å; T635-H638 WeakPolarHBondContact O-CB 3.34Å; T635-H638 PolarHBondContact O-N 2.8Å; T635-H638 PolarHBondContact OG1-CE1 3Å; T635-H638 PolarHBondContact OG1-ND1 3.49Å
636A60.8Low59.8Low96 Ų9657.9 Ų57.979%0.79333%0.334SS*.THydrogen-bonded Turntrans-56.9-23.4178.200000113.5H638A636-H638 VanDerWaalsContact C-N 3.27Å; A636-H638 PolarHBondContact O-N 3.47Å
637D68.6Low61.5Low37 Ų3756 Ų5620%0.19832%0.324CS..THydrogen-bonded Turntrans-76.7-7.8178.1-56.2-57.4000113.6I19 K22 Y23 Y43 T635 V639I19-D637 WeakPolarHBondContact CD1-O 3.17Å; I19-D637 HydrophobicContact CG2-CB 4.33Å; K22-D637 IonicContact NZ-OD1 2.75Å; K22-D637 PolarHBondContact NZ-OD1 3.21Å; K22-D637 IonicContact NZ-OD2 3.26Å; K22-D637 PolarHBondContact NZ-OD2 2.88Å; Y23-D637 HydrophobicContact CE2-CB 4.13Å; Y23-D637 PolarHBondContact OH-OD2 3.44Å; Y43-D637 HydrophobicContact CE2-CB 4.48Å; Y43-D637 PolarHBondContact OH-O 3.43Å; T635-D637 PolarHBondContact O-N 3.33Å; D637-V639 PolarHBondContact O-N 2.93Å
638H75.4Confident63.3Low14 Ų1452.8 Ų52.87%0.06530%0.296CS..  trans-87.1100.8171.8-64.9113.9000110.4Y43 V634 T635 A636 R643Y43-H638 AromaticContact CZ-CD2 3.91Å; Y43-H638 PolarHBondContact O-CE1 3.21Å; Y43-H638 PolarHBondContact O-NE2 3.19Å; V634-H638 HydrophobicContact CG1-CB 3.8Å; T635-H638 PolarHBondContact N-ND1 3.31Å; T635-H638 WeakPolarHBondContact O-CB 3.34Å; T635-H638 PolarHBondContact O-N 2.8Å; T635-H638 PolarHBondContact OG1-CE1 3Å; T635-H638 PolarHBondContact OG1-ND1 3.49Å; A636-H638 VanDerWaalsContact C-N 3.27Å; A636-H638 PolarHBondContact O-N 3.47Å; H638-R643 HydrophobicContact CB-CG 4.18Å; H638-R643 WeakPolarHBondContact O-CG 3.12Å; H638-R643 PolarHBondContact O-NE 3.24Å
639V75.8Confident64.9Low13 Ų1352.9 Ų52.98%0.07930%0.295CS..  trans-115.1147.3-177.5-170.80000110.5A11 E15 I19 D637 G641 Y642A11-V639 HydrophobicContact CB-CB 4.24Å; A11-V639 HydrophobicContact CB-CG1 3.79Å; E15-V639 HydrophobicContact CG-CG2 4.42Å; I19-V639 HydrophobicContact CD1-CB 4.34Å; I19-V639 HydrophobicContact CD1-CG2 3.67Å; D637-V639 PolarHBondContact O-N 2.93Å; V639-G641 PolarHBondContact O-N 3.12Å; V639-Y642 PolarHBondContact O-N 3.44Å
640G77.1Confident66.7Low9 Ų944.4 Ų44.49%0.09326%0.261CS..G310 helixtrans58.8-130.8179.200000113.2R9 Y642 R643R9-G640 WeakPolarHBondContact O-CA 3.34Å; G640-Y642 PolarHBondContact O-N 3.26Å; G640-R643 PolarHBondContact O-N 3.02Å
641G70.9Confident68.1Low0 Ų039 Ų390%023%0.233CC..G310 helixtrans-58-29.2179.800000114.4E81 L84 C85 V639 R643 L644E81-G641 PolarHBondContact OE1-N 3.35Å; L84-G641 WeakPolarHBondContact CB-O 3.05Å; L84-G641 WeakPolarHBondContact CD1-O 3.48Å; C85-G641 WeakPolarHBondContact SG-CA 3.44Å; C85-G641 PolarHBondContact SG-N 3.31Å; V639-G641 PolarHBondContact O-N 3.12Å; G641-R643 PolarHBondContact O-N 2.9Å; G641-R643 VanDerWaalsContact O-N 3.15Å; G641-L644 WeakPolarHBondContact O-CA 3.5Å; G641-L644 VanDerWaalsContact O-CB 3.27Å; G641-L644 WeakPolarHBondContact O-CB 3.27Å; G641-L644 PolarHBondContact O-N 2.99Å
642Y80.9Confident69.4Low3 Ų335.5 Ų35.51%0.01222%0.219CC..G310 helixtrans-65.8-19.1-178.3-79.7-66.4000114.8L16 F39 Y43 L44 F77 F80 E81 L84 V639 G640 L644 A645L16-Y642 HydrophobicContact CD2-CD2 4.12Å; L16-Y642 HydrophobicContact CD2-CE2 4.37Å; F39-Y642 AromaticContact CE2-CE1 3.74Å; F39-Y642 HydrophobicContact CE2-CE1 3.74Å; F39-Y642 AromaticContact CZ-CE1 3.99Å; F39-Y642 HydrophobicContact CZ-CE1 3.99Å; Y43-Y642 AromaticContact CE1-CD1 3.54Å; Y43-Y642 HydrophobicContact CE1-CD1 3.54Å; Y43-Y642 HydrophobicContact CE1-CD2 4.29Å; Y43-Y642 AromaticContact CE1-CE1 3.82Å; Y43-Y642 HydrophobicContact CE1-CE1 3.82Å; Y43-Y642 AromaticContact CE1-CG 3.79Å; Y43-Y642 HydrophobicContact CE1-CG 3.79Å; Y43-Y642 WeakPolarHBondContact OH-CB 3.42Å; L44-Y642 HydrophobicContact CD2-CD1 4.25Å; F77-Y642 WeakPolarHBondContact CA-OH 3.21Å; F77-Y642 HydrophobicContact CD1-CE2 4.02Å; F77-Y642 HydrophobicContact CD2-CE2 4.13Å; F77-Y642 AromaticContact CD2-CZ 3.69Å; F77-Y642 WeakPolarHBondContact CD2-OH 3.31Å; F77-Y642 HydrophobicContact CE1-CD2 4.34Å; F77-Y642 AromaticContact CE1-CE2 3.62Å; F77-Y642 HydrophobicContact CE1-CE2 3.62Å; F77-Y642 HydrophobicContact CE2-CE1 4.09Å; F77-Y642 AromaticContact CE2-CE2 3.73Å; F77-Y642 HydrophobicContact CE2-CE2 3.73Å; F77-Y642 AromaticContact CE2-CZ 3.46Å; F77-Y642 VanDerWaalsContact CE2-CZ 3.46Å; F77-Y642 WeakPolarHBondContact CE2-OH 3.46Å; F77-Y642 HydrophobicContact CG-CE2 4.25Å; F77-Y642 WeakPolarHBondContact CG-OH 3.15Å; F77-Y642 HydrophobicContact CZ-CD2 4.04Å; F77-Y642 HydrophobicContact CZ-CE1 4.5Å; F77-Y642 AromaticContact CZ-CE2 3.45Å; F77-Y642 HydrophobicContact CZ-CE2 3.45Å; F77-Y642 VanDerWaalsContact CZ-CE2 3.45Å; F77-Y642 AromaticContact CZ-CZ 3.73Å; F77-Y642 PolarHBondContact O-OH 2.64Å; F80-Y642 AromaticContact CD1-CE1 3.61Å; F80-Y642 HydrophobicContact CD1-CE1 3.61Å; F80-Y642 AromaticContact CD1-CZ 3.99Å; F80-Y642 HydrophobicContact CE1-CE1 4.08Å; E81-Y642 HydrophobicContact CB-CD2 3.96Å; E81-Y642 HydrophobicContact CB-CE2 3.64Å; E81-Y642 HydrophobicContact CG-CD2 3.94Å; E81-Y642 HydrophobicContact CG-CE2 4.14Å; L84-Y642 HydrophobicContact CD1-CD1 3.74Å; L84-Y642 HydrophobicContact CD1-CE1 4.07Å; L84-Y642 HydrophobicContact CD1-CG 4.3Å; V639-Y642 PolarHBondContact O-N 3.44Å; G640-Y642 PolarHBondContact O-N 3.26Å; Y642-L644 PolarHBondContact O-N 3.42Å; Y642-A645 HydrophobicContact CD1-CB 4.2Å; Y642-A645 WeakPolarHBondContact O-CB 3.41Å; Y642-A645 PolarHBondContact O-N 2.93Å
643R76.2Confident70.3Confident153 Ų15334.9 Ų34.958%0.57721%0.212SC*.G310 helixtrans-61.3-22.7168.3-64.7-177.3177.5-177.90.4112.6V634 H638 G640 G641V634-R643 HydrophobicContact CG1-CG 4.19Å; H638-R643 HydrophobicContact CB-CG 4.18Å; H638-R643 WeakPolarHBondContact O-CG 3.12Å; H638-R643 PolarHBondContact O-NE 3.24Å; G640-R643 PolarHBondContact O-N 3.02Å; G641-R643 PolarHBondContact O-N 2.9Å; G641-R643 VanDerWaalsContact O-N 3.15Å
644L70.9Confident71.2Confident20 Ų2034.1 Ų34.111%0.10519%0.194CC..G310 helixtrans-97.3-9.5-178.9-50.4-173.8000113T8 P301 G641 Y642 A646 A647 T648T8-L644 HydrophobicContact CG2-CD1 3.59Å; T8-L644 HydrophobicContact CG2-CG 4.17Å; P301-L644 HydrophobicContact CB-CD2 3.32Å; P301-L644 HydrophobicContact CG-CD2 3.36Å; G641-L644 WeakPolarHBondContact O-CA 3.5Å; G641-L644 VanDerWaalsContact O-CB 3.27Å; G641-L644 WeakPolarHBondContact O-CB 3.27Å; G641-L644 PolarHBondContact O-N 2.99Å; Y642-L644 PolarHBondContact O-N 3.42Å; L644-A646 PolarHBondContact O-N 2.81Å; L644-A647 PolarHBondContact O-N 3.23Å; L644-T648 WeakPolarHBondContact O-CB 3.38Å; L644-T648 PolarHBondContact O-N 3Å; L644-T648 PolarHBondContact O-OG1 3.26Å
645A75Confident71.8Confident0 Ų032.3 Ų32.30%018%0.178CC..Hα-helixtrans-57-54.7-171.200000112.3L44 L84 Y642 A647 T648 F649L44-A645 HydrophobicContact CD2-CB 3.47Å; L44-A645 VanDerWaalsContact CD2-CB 3.47Å; L84-A645 HydrophobicContact CD1-CB 3.68Å; L84-A645 HydrophobicContact CD2-CB 4.44Å; Y642-A645 HydrophobicContact CD1-CB 4.2Å; Y642-A645 WeakPolarHBondContact O-CB 3.41Å; Y642-A645 PolarHBondContact O-N 2.93Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-A647 PolarHBondContact O-N 3.17Å; A645-T648 PolarHBondContact O-N 3.3Å; A645-T648 VanDerWaalsContact O-N 3.14Å; A645-F649 WeakPolarHBondContact O-CD2 3.23Å; A645-F649 PolarHBondContact O-N 2.73Å
646A73.5Confident72.3Confident20 Ų2029.9 Ų29.917%0.16516%0.162CC..Hα-helixtrans-60.5-41.1179.700000112.6L46 F631 P632 L644 A650L46-A646 HydrophobicContact CD2-CB 4.2Å; F631-A646 HydrophobicContact CD1-CB 4.41Å; P632-A646 HydrophobicContact CG-CB 4.33Å; L644-A646 PolarHBondContact O-N 2.81Å; A646-A650 PolarHBondContact O-N 2.64Å; A646-A650 VanDerWaalsContact O-N 3.11Å
647A67.6Low72.6Confident24 Ų2425.6 Ų25.620%0.19813%0.128CC..Hα-helixtrans-66.9-37176.700000112.1L644 A645 G651L644-A647 PolarHBondContact O-N 3.23Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-A647 PolarHBondContact O-N 3.17Å; A647-G651 WeakPolarHBondContact O-CA 3.47Å; A647-G651 PolarHBondContact O-N 3.49Å
648T73.5Confident72.7Confident9 Ų924 Ų246%0.05512%0.119CC..Hα-helixtrans-68.1-47.6178.6-54.30000110.3L84 A89 L90 V93 L644 A645 A650 G651 V652L84-T648 HydrophobicContact CD2-CG2 4.13Å; A89-T648 HydrophobicContact CB-CG2 4.22Å; L90-T648 HydrophobicContact CD2-CG2 3.88Å; L90-T648 VanDerWaalsContact CD2-O 3.24Å; L90-T648 WeakPolarHBondContact CD2-O 3.43Å; V93-T648 HydrophobicContact CB-CG2 4.32Å; V93-T648 HydrophobicContact CG2-CG2 3.82Å; L644-T648 WeakPolarHBondContact O-CB 3.38Å; L644-T648 PolarHBondContact O-N 3Å; L644-T648 PolarHBondContact O-OG1 3.26Å; A645-T648 PolarHBondContact O-N 3.3Å; A645-T648 VanDerWaalsContact O-N 3.14Å; T648-A650 PolarHBondContact O-N 3.39Å; T648-G651 CarbonylContact O-C 3.59Å; T648-G651 WeakPolarHBondContact O-CA 3.43Å; T648-G651 PolarHBondContact O-N 2.9Å; T648-G651 VanDerWaalsContact O-N 3.12Å; T648-V652 WeakPolarHBondContact O-CG2 3.29Å; T648-V652 PolarHBondContact O-N 3.45Å
649F76.9Confident72.5Confident21 Ų2124.8 Ų24.89%0.09212%0.123CC..Hα-helixtrans-61.4-45.5176.8-75.6-65000112.4L44 L46 I60 V63 F80 V93 A645 G651 V652 E653L44-F649 HydrophobicContact CD1-CD2 4.46Å; L44-F649 HydrophobicContact CD1-CE2 3.91Å; L46-F649 HydrophobicContact CD1-CD2 4.18Å; I60-F649 HydrophobicContact CG2-CD1 4.21Å; I60-F649 HydrophobicContact CG2-CD2 4.36Å; I60-F649 HydrophobicContact CG2-CE1 3.81Å; I60-F649 HydrophobicContact CG2-CE2 3.99Å; I60-F649 HydrophobicContact CG2-CG 4.48Å; I60-F649 HydrophobicContact CG2-CZ 3.69Å; V63-F649 HydrophobicContact CB-CE1 4.31Å; V63-F649 HydrophobicContact CB-CZ 4.46Å; V63-F649 HydrophobicContact CG1-CE1 4.33Å; V63-F649 HydrophobicContact CG1-CZ 4.47Å; V63-F649 HydrophobicContact CG2-CE1 4.13Å; F80-F649 HydrophobicContact CE1-CE2 4.26Å; F80-F649 HydrophobicContact CE1-CZ 4.27Å; F80-F649 AromaticContact CZ-CE2 3.93Å; F80-F649 HydrophobicContact CZ-CE2 3.93Å; F80-F649 AromaticContact CZ-CZ 3.61Å; F80-F649 HydrophobicContact CZ-CZ 3.61Å; V93-F649 HydrophobicContact CG1-CD1 3.79Å; V93-F649 HydrophobicContact CG1-CE1 3.61Å; V93-F649 HydrophobicContact CG1-CZ 4.45Å; A645-F649 WeakPolarHBondContact O-CD2 3.23Å; A645-F649 PolarHBondContact O-N 2.73Å; F649-G651 VanDerWaalsContact C-N 3.28Å; F649-G651 PolarHBondContact O-N 3.12Å; F649-V652 WeakPolarHBondContact O-CB 3.46Å; F649-V652 PolarHBondContact O-N 3.42Å; F649-V652 VanDerWaalsContact O-N 3.17Å; F649-E653 PolarHBondContact O-N 3.36Å
650A70.3Confident72.4Confident17 Ų1724.6 Ų24.614%0.1412%0.121CC..Hα-helixtrans-66.8-31.8174.100000112.7F631 A646 T648 V652 E653 R654F631-A650 HydrophobicContact CE1-CB 3.31Å; F631-A650 HydrophobicContact CZ-CB 3.54Å; A646-A650 PolarHBondContact O-N 2.64Å; A646-A650 VanDerWaalsContact O-N 3.11Å; T648-A650 PolarHBondContact O-N 3.39Å; A650-V652 VanDerWaalsContact C-N 3.33Å; A650-E653 PolarHBondContact O-N 3.43Å; A650-R654 WeakPolarHBondContact O-CB 3.46Å; A650-R654 WeakPolarHBondContact O-CG 3.32Å; A650-R654 PolarHBondContact O-N 3.03Å
651G68.3Low72Confident5 Ų525.6 Ų25.65%0.05213%0.126CC..Hα-helixtrans-63.1-39.1171.800000111.9A647 T648 F649 R654 K655A647-G651 WeakPolarHBondContact O-CA 3.47Å; A647-G651 PolarHBondContact O-N 3.49Å; T648-G651 CarbonylContact O-C 3.59Å; T648-G651 WeakPolarHBondContact O-CA 3.43Å; T648-G651 PolarHBondContact O-N 2.9Å; T648-G651 VanDerWaalsContact O-N 3.12Å; F649-G651 VanDerWaalsContact C-N 3.28Å; F649-G651 PolarHBondContact O-N 3.12Å; G651-R654 PolarHBondContact O-N 3.33Å; G651-K655 WeakPolarHBondContact O-CA 3.42Å; G651-K655 WeakPolarHBondContact O-CB 3.24Å; G651-K655 PolarHBondContact O-N 3.32Å
652V74.3Confident71.5Confident5 Ų529.9 Ų29.93%0.0315%0.145CC..Hα-helixtrans-64.9-46.8173.9170.20000110.7L90 V93 A94 T648 F649 A650 R654 F656 L658L90-V652 HydrophobicContact CB-CG2 4.5Å; L90-V652 HydrophobicContact CD2-CG2 4.06Å; L90-V652 VanDerWaalsContact O-CG2 3.28Å; L90-V652 WeakPolarHBondContact O-CG2 3.28Å; V93-V652 HydrophobicContact CB-CG2 4.1Å; V93-V652 HydrophobicContact CG1-CG2 3.86Å; A94-V652 HydrophobicContact CB-CG1 4.08Å; A94-V652 HydrophobicContact CB-CG2 4.45Å; T648-V652 WeakPolarHBondContact O-CG2 3.29Å; T648-V652 PolarHBondContact O-N 3.45Å; F649-V652 WeakPolarHBondContact O-CB 3.46Å; F649-V652 PolarHBondContact O-N 3.42Å; F649-V652 VanDerWaalsContact O-N 3.17Å; A650-V652 VanDerWaalsContact C-N 3.33Å; V652-R654 PolarHBondContact O-N 3.22Å; V652-F656 HydrophobicContact CB-CD2 4.31Å; V652-F656 HydrophobicContact CG1-CD2 4.01Å; V652-F656 HydrophobicContact CG2-CD2 4.42Å; V652-F656 HydrophobicContact CG2-CE2 4.42Å; V652-F656 WeakPolarHBondContact O-CB 3.42Å; V652-F656 PolarHBondContact O-N 3.19Å; V652-L658 HydrophobicContact CG1-CD1 4.02Å
653E71.7Confident70.8Confident30 Ų3034.7 Ų34.714%0.1417%0.166CC..Hα-helixtrans-58.9-46.7176-66.4-170.1162.300111.6F649 A650 G657 L658 H659F649-E653 PolarHBondContact O-N 3.36Å; A650-E653 PolarHBondContact O-N 3.43Å; E653-G657 CarbonylContact O-C 3.56Å; E653-G657 WeakPolarHBondContact O-CA 3.41Å; E653-G657 PolarHBondContact O-N 3.02Å; E653-L658 PolarHBondContact O-N 3.4Å; E653-H659 PolarHBondContact O-NE2 2.88Å; E653-H659 IonicContact OE2-ND1 2.64Å
654R68.2Low70Confident85 Ų8533.8 Ų33.832%0.32117%0.166SC..Hα-helixtrans-77.5-37.6-175.8-72.8-178.3-176.4173.33.9114.1H192 V628 A650 G651 V652H192-R654 WeakPolarHBondContact CB-O 3.5Å; H192-R654 PolarHBondContact CD2-O 3.23Å; H192-R654 VanDerWaalsContact CG-O 3.26Å; V628-R654 VanDerWaalsContact CG1-NH2 3.31Å; A650-R654 WeakPolarHBondContact O-CB 3.46Å; A650-R654 WeakPolarHBondContact O-CG 3.32Å; A650-R654 PolarHBondContact O-N 3.03Å; G651-R654 PolarHBondContact O-N 3.33Å; V652-R654 PolarHBondContact O-N 3.22Å
655K70.4Confident69Low58 Ų5836.4 Ų36.425%0.25219%0.186SC..Hα-helixtrans-78.8-38.7-178.6-171.2166.6-170.9153.70111L90 Q158 E296 G651L90-K655 HydrophobicContact CD1-CD 4.18Å; Q158-K655 PolarHBondContact NE2-O 2.81Å; E296-K655 IonicContact OE2-NZ 3.04Å; G651-K655 WeakPolarHBondContact O-CA 3.42Å; G651-K655 WeakPolarHBondContact O-CB 3.24Å; G651-K655 PolarHBondContact O-N 3.32Å
656F71.6Confident67.4Low8 Ų842.5 Ų42.54%0.03523%0.229CC..Hα-helixtrans-100.2-3.4-175.8-54.9-61.5000114L90 F91 A94 L154 Q158 V652 L658L90-F656 HydrophobicContact CB-CE2 4.37Å; F91-F656 AromaticContact CD1-CE1 3.94Å; F91-F656 HydrophobicContact CD1-CE1 3.94Å; F91-F656 HydrophobicContact CD1-CE2 4.46Å; F91-F656 AromaticContact CD1-CZ 3.45Å; F91-F656 HydrophobicContact CD1-CZ 3.45Å; F91-F656 VanDerWaalsContact CD1-CZ 3.45Å; F91-F656 HydrophobicContact CD2-CZ 4.46Å; F91-F656 AromaticContact CE1-CE1 3.51Å; F91-F656 HydrophobicContact CE1-CE1 3.51Å; F91-F656 AromaticContact CE1-CZ 3.39Å; F91-F656 HydrophobicContact CE1-CZ 3.39Å; F91-F656 HydrophobicContact CE2-CZ 4.41Å; F91-F656 HydrophobicContact CG-CZ 4.02Å; F91-F656 HydrophobicContact CZ-CE1 4.12Å; F91-F656 AromaticContact CZ-CZ 3.9Å; F91-F656 HydrophobicContact CZ-CZ 3.9Å; A94-F656 HydrophobicContact CB-CD2 3.92Å; A94-F656 HydrophobicContact CB-CE2 3.86Å; L154-F656 HydrophobicContact CD2-CB 4.04Å; L154-F656 HydrophobicContact CD2-CD1 3.43Å; L154-F656 VanDerWaalsContact CD2-CD1 3.43Å; L154-F656 HydrophobicContact CD2-CD2 4.07Å; L154-F656 HydrophobicContact CD2-CE1 3.84Å; L154-F656 HydrophobicContact CD2-CE2 4.42Å; L154-F656 HydrophobicContact CD2-CG 3.56Å; L154-F656 HydrophobicContact CD2-CZ 4.32Å; L154-F656 HydrophobicContact CG-CB 4.44Å; L154-F656 HydrophobicContact CG-CD1 3.89Å; L154-F656 HydrophobicContact CG-CG 4.27Å; Q158-F656 PolarHBondContact NE2-O 3.37Å; V652-F656 HydrophobicContact CB-CD2 4.31Å; V652-F656 HydrophobicContact CG1-CD2 4.01Å; V652-F656 HydrophobicContact CG2-CD2 4.42Å; V652-F656 HydrophobicContact CG2-CE2 4.42Å; V652-F656 WeakPolarHBondContact O-CB 3.42Å; V652-F656 PolarHBondContact O-N 3.19Å; F656-L658 HydrophobicContact CB-CD1 3.67Å; F656-L658 HydrophobicContact CB-CG 3.75Å; F656-L658 PolarHBondContact O-N 2.92Å
657G66.9Low65.8Low7 Ų744.8 Ų44.87%0.07225%0.254CS..  trans66.216.4-177.900000113.5H192 E653 H659H192-G657 WeakPolarHBondContact ND1-CA 3.26Å; E653-G657 CarbonylContact O-C 3.56Å; E653-G657 WeakPolarHBondContact O-CA 3.41Å; E653-G657 PolarHBondContact O-N 3.02Å; G657-H659 PolarHBondContact O-N 3.29Å
658L71.8Confident64.3Low3 Ų349.4 Ų49.42%0.01627%0.272CS..  trans-83.359-174.7-64.2171.4000111.2L97 F98 F115 T118 V652 E653 F656 L660L97-L658 HydrophobicContact CD2-CD1 4.45Å; F98-L658 HydrophobicContact CE2-CD1 3.61Å; F98-L658 HydrophobicContact CE2-CD2 3.96Å; F98-L658 HydrophobicContact CE2-CG 4.44Å; F98-L658 HydrophobicContact CZ-CD1 4.22Å; F98-L658 HydrophobicContact CZ-CD2 3.71Å; F115-L658 HydrophobicContact CD2-CD2 4.38Å; T118-L658 HydrophobicContact CG2-CD2 4.15Å; V652-L658 HydrophobicContact CG1-CD1 4.02Å; E653-L658 PolarHBondContact O-N 3.4Å; F656-L658 HydrophobicContact CB-CD1 3.67Å; F656-L658 HydrophobicContact CB-CG 3.75Å; F656-L658 PolarHBondContact O-N 2.92Å; L658-L660 PolarHBondContact O-N 3.09Å; L658-L660 VanDerWaalsContact O-N 3.12Å
659H71.3Confident62.3Low30 Ų3053.8 Ų53.814%0.13930%0.303CS..  trans-73.2107.2-179-72.8-77.2000110.9T118 T119 H191 E653 G657T118-H659 WeakPolarHBondContact CA-O 3.43Å; T119-H659 PolarHBondContact N-O 3.38Å; T119-H659 WeakPolarHBondContact OG1-CB 3.18Å; T119-H659 PolarHBondContact OG1-O 3.2Å; H191-H659 AromaticContact CD2-NE2 3.95Å; H191-H659 AromaticContact CE1-CD2 3.46Å; H191-H659 PolarHBondContact CE1-CD2 2.92Å; H191-H659 VanDerWaalsContact CE1-CD2 3.46Å; H191-H659 AromaticContact CE1-NE2 3.89Å; H191-H659 AromaticContact NE2-CD2 3.11Å; H191-H659 PolarHBondContact NE2-CD2 2.87Å; H191-H659 AromaticContact NE2-CE1 3.77Å; H191-H659 AromaticContact NE2-CG 3.72Å; H191-H659 AromaticContact NE2-NE2 3.17Å; H191-H659 PolarHBondContact NE2-NE2 2.64Å; H191-H659 VanDerWaalsContact NE2-NE2 3.17Å; E653-H659 PolarHBondContact O-NE2 2.88Å; E653-H659 IonicContact OE2-ND1 2.64Å; G657-H659 PolarHBondContact O-N 3.29Å
660L72.8Confident60.4Low9 Ų962 Ų625%0.04734%0.339CS..  trans-76.7145173.9-62.3176.3000110.3T56 L59 I60 L658 K662T56-L660 HydrophobicContact CG2-CB 3.66Å; T56-L660 HydrophobicContact CG2-CD1 3.99Å; T56-L660 HydrophobicContact CG2-CG 4.48Å; L59-L660 HydrophobicContact CB-CD1 4.34Å; L59-L660 HydrophobicContact CD1-CD1 4.3Å; L59-L660 HydrophobicContact CD1-CD2 3.91Å; I60-L660 HydrophobicContact CG1-CD1 4.42Å; L658-L660 PolarHBondContact O-N 3.09Å; L658-L660 VanDerWaalsContact O-N 3.12Å; L660-K662 PolarHBondContact O-N 3.5Å; L660-K662 VanDerWaalsContact O-N 3.16Å
661P68.9Low58.6Low31 Ų3166.8 Ų66.820%0.20137%0.371CS..  trans-64.5117.1-179.823.7-32.7000110.4N53 T56 Q117N53-P661 VanDerWaalsContact CB-O 3.31Å; N53-P661 WeakPolarHBondContact CB-O 3.3Å; N53-P661 WeakPolarHBondContact ND2-CG 3.39Å; T56-P661 PolarHBondContact OG1-O 3.44Å; Q117-P661 VanDerWaalsContact O-CD 3.23Å; Q117-P661 WeakPolarHBondContact O-CD 3.37Å
662K61.6Low56.7Low90 Ų9075.5 Ų75.539%0.39141%0.41SS..SBendtrans-73.8-28.1-178.6-59.2-166.8173.2-178.80113.1H52 N53 L660H52-K662 WeakPolarHBondContact CA-O 3.39Å; N53-K662 PolarHBondContact N-O 3.39Å; L660-K662 PolarHBondContact O-N 3.5Å; L660-K662 VanDerWaalsContact O-N 3.16Å
663F64.3Low54.8Low103 Ų10381 Ų8145%0.45245%0.446SS..BIsolated β-bridgetrans-123.5156.9-175.4-57.9-82.9000111.4Q51 S665Q51-F663 HydrophobicContact CB-CD1 4.23Å; Q51-F663 WeakPolarHBondContact O-CA 3.5Å; Q51-F663 WeakPolarHBondContact O-CD1 3.38Å; F663-S665 PolarHBondContact O-N 3.08Å
664K61.2Low52.8Low135 Ų13588.4 Ų88.459%0.58748%0.48SS*.  trans-60.8134170-67.9-176.1179.1-178.20109.8
665S49Very low51.5Low74 Ų7490.5 Ų90.552%0.51751%0.505SS..  trans-65138172.380.20000109.1F663 G667 E668F663-S665 PolarHBondContact O-N 3.08Å; S665-G667 PolarHBondContact O-N 2.65Å; S665-E668 PolarHBondContact O-N 3.41Å
666S40.6Very low50Low128 Ų12896.9 Ų96.990%0.89556%0.557SS**THydrogen-bonded Turntrans-65.17.9179.140.30000114.4
667G40.6Very low48.9Very low68 Ų68101.3 Ų101.370%0.70158%0.583SS**THydrogen-bonded Turntrans-107.8-12.318000000116.2S665 S669S665-G667 PolarHBondContact O-N 2.65Å; G667-S669 VanDerWaalsContact C-N 3.31Å; G667-S669 PolarHBondContact O-N 3.09Å
668E36.4Very low48Very low121 Ų121106.3 Ų106.357%0.56561%0.61SS**  trans-88.213-178.5-82-177.5154.100113.8K55 S665 K670K55-E668 IonicContact NZ-OE1 3.22Å; K55-E668 PolarHBondContact NZ-OE1 3.44Å; S665-E668 PolarHBondContact O-N 3.41Å; E668-K670 VanDerWaalsContact C-N 3.3Å; E668-K670 PolarHBondContact O-N 3.12Å; E668-K670 VanDerWaalsContact O-N 3.09Å
669S31.5Very low46.7Very low101 Ų101112 Ų11271%0.70664%0.643SS**  trans-84.666.9172.2680000111.5G667G667-S669 VanDerWaalsContact C-N 3.31Å; G667-S669 PolarHBondContact O-N 3.09Å
670K36.9Very low45.2Very low195 Ų195116.8 Ų116.885%0.84867%0.672SS**  trans-172.6103.3158-106.7164.7-169-175.30110.8E668E668-K670 VanDerWaalsContact C-N 3.3Å; E668-K670 PolarHBondContact O-N 3.12Å; E668-K670 VanDerWaalsContact O-N 3.09Å
671S32.4Very low43.5Very low117 Ų117123.6 Ų123.682%0.81871%0.711SS**  trans139.795.3135.561.10000112.3
672E28.3Very low41.8Very low188 Ų188129.7 Ų129.788%0.87975%0.745SS**  trans-158.5110.8136.3-113.6175.7-169.100107.6
673P34.7Very low40.4Very low119 Ų119132.6 Ų132.677%0.77377%0.771SS**PPolyproline II helixtrans-77.2122.7165.226.5-19.8000108.2
674Q28.5Very low38.6Very low187 Ų187134.8 Ų134.887%0.87480%0.795SS**PPolyproline II helixtrans-55.7130.8169.5-75.4-173.7-30.100109.8S676Q674-S676 PolarHBondContact O-N 3.15Å
675P41Very low36.7Very low128 Ų128134.8 Ų134.883%0.83181%0.813SS**PPolyproline II helixtrans-70.7127.5166.628.3-29.1000108.9
676S40.2Very low35.5Very low192 Ų192140.4 Ų140.4100%1.34384%0.839SS**  trans-60.30175.950.90000114.3Q674Q674-S676 PolarHBondContact O-N 3.15Å

Retrieved 676 of 676 residues in 1399.7 ms (Link to these results)

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