A0A087X6C6_POEFO Loading...

Lateral signaling target protein 2 homolog

Negative regulator of epidermal growth factor receptor (EGFR) signaling. Acts by promoting EGFR degradation in endosomes when not monoubiquitinated.

AlphaFold DB , UniProt , Accession A0A087X6C6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 984 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
1V43.4Very low44.5Very low158 Ų158131.5 Ų131.596%0.95863%0.629SS**  0-68.20-171.50000111.1N3 K4 L5V1-N3 VanDerWaalsContact C-N 3.33Å; V1-N3 PolarHBondContact O-N 3.03Å; V1-N3 VanDerWaalsContact O-N 3.16Å; V1-K4 PolarHBondContact O-N 3.36Å; V1-L5 HydrophobicContact CG1-CD1 4.45Å; V1-L5 PolarHBondContact O-N 2.79Å
2M34.6Very low45.1Very low155 Ų155131.9 Ų131.976%0.76463%0.626SS**Hα-helixtrans-50.7-41.8-177.3-82-168.2-105.800115.2K4 L5 H6M2-K4 VanDerWaalsContact C-N 3.32Å; M2-K4 PolarHBondContact O-N 3.33Å; M2-L5 CarbonylContact O-C 3.58Å; M2-L5 WeakPolarHBondContact O-CA 3.31Å; M2-L5 WeakPolarHBondContact O-CB 3.48Å; M2-L5 PolarHBondContact O-N 3.02Å; M2-H6 PolarHBondContact O-N 2.85Å
3N38.7Very low45.7Very low132 Ų132132.1 Ų132.171%0.70663%0.626SS**Hα-helixtrans-60.9-38.2178.1-61.633.1000113V1 L5 H6 E7V1-N3 VanDerWaalsContact C-N 3.33Å; V1-N3 PolarHBondContact O-N 3.03Å; V1-N3 VanDerWaalsContact O-N 3.16Å; N3-L5 VanDerWaalsContact C-N 3.34Å; N3-H6 WeakPolarHBondContact O-CA 3.26Å; N3-H6 WeakPolarHBondContact O-CB 3.41Å; N3-H6 PolarHBondContact O-N 3.19Å; N3-H6 VanDerWaalsContact O-N 3.11Å; N3-E7 PolarHBondContact O-N 3.15Å
4K43.4Very low46.5Very low157 Ų157135 Ų13568%0.68363%0.628SS**Hα-helixtrans-69.3-31174.1-71-156.4169.3-1580112.6V1 M2 H6 E7 Y8V1-K4 PolarHBondContact O-N 3.36Å; M2-K4 VanDerWaalsContact C-N 3.32Å; M2-K4 PolarHBondContact O-N 3.33Å; K4-H6 VanDerWaalsContact C-N 3.34Å; K4-E7 WeakPolarHBondContact CA-OE2 3.46Å; K4-Y8 WeakPolarHBondContact O-CB 3.25Å; K4-Y8 PolarHBondContact O-N 3.28Å
5L44.5Very low47Very low101 Ų101133.6 Ų133.653%0.52963%0.633SS.*Hα-helixtrans-66.5-38168.3-106.177000111.1V1 M2 N3 Y8 I9V1-L5 HydrophobicContact CG1-CD1 4.45Å; V1-L5 PolarHBondContact O-N 2.79Å; M2-L5 CarbonylContact O-C 3.58Å; M2-L5 WeakPolarHBondContact O-CA 3.31Å; M2-L5 WeakPolarHBondContact O-CB 3.48Å; M2-L5 PolarHBondContact O-N 3.02Å; N3-L5 VanDerWaalsContact C-N 3.34Å; L5-Y8 PolarHBondContact O-N 2.98Å; L5-I9 VanDerWaalsContact O-CB 3.3Å; L5-I9 WeakPolarHBondContact O-CB 3.48Å; L5-I9 WeakPolarHBondContact O-CD1 3.47Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 3.43Å
6H44.2Very low48.3Very low138 Ų138127.9 Ų127.964%0.63961%0.607SS**Hα-helixtrans-64-41.7176.3-106.4-108.5000112.4M2 N3 K4 I9 Y10M2-H6 PolarHBondContact O-N 2.85Å; N3-H6 WeakPolarHBondContact O-CA 3.26Å; N3-H6 WeakPolarHBondContact O-CB 3.41Å; N3-H6 PolarHBondContact O-N 3.19Å; N3-H6 VanDerWaalsContact O-N 3.11Å; K4-H6 VanDerWaalsContact C-N 3.34Å; H6-I9 PolarHBondContact O-N 3.5Å; H6-Y10 PolarHBondContact O-N 3.43Å; H6-Y10 VanDerWaalsContact O-N 3.07Å
7E45.4Very low49.8Very low133 Ų133126.7 Ų126.762%0.62161%0.613SS**Hα-helixtrans-59.8-49.9170.1-71.1167.5133.700111.1N3 K4 I9 Y10N3-E7 PolarHBondContact O-N 3.15Å; K4-E7 WeakPolarHBondContact CA-OE2 3.46Å; E7-I9 PolarHBondContact O-N 3.09Å; E7-Y10 WeakPolarHBondContact O-CB 3.47Å; E7-Y10 PolarHBondContact O-N 3.33Å
8Y47.8Very low51.7Low156 Ų156123.2 Ų123.261%0.61260%0.595SS**Hα-helixtrans-64.8-25.1-179.5-140.2-90.5000114K4 L5K4-Y8 WeakPolarHBondContact O-CB 3.25Å; K4-Y8 PolarHBondContact O-N 3.28Å; L5-Y8 PolarHBondContact O-N 2.98Å
9I46.6Very low53.6Low110 Ų110118.2 Ų118.256%0.56457%0.571SS**Hα-helixtrans-81-25.8173.4-71.9164.4000111L5 H6 E7 I11 K12L5-I9 VanDerWaalsContact O-CB 3.3Å; L5-I9 WeakPolarHBondContact O-CB 3.48Å; L5-I9 WeakPolarHBondContact O-CD1 3.47Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 3.43Å; H6-I9 PolarHBondContact O-N 3.5Å; E7-I9 PolarHBondContact O-N 3.09Å; I9-I11 PolarHBondContact O-N 3.18Å; I9-K12 PolarHBondContact O-N 2.87Å
10Y46.8Very low55.2Low180 Ų180112.3 Ų112.371%0.70654%0.543SS*.Hα-helixtrans-72.3-10.8-178.1-145-90.9000114.3H6 E7 K12H6-Y10 PolarHBondContact O-N 3.43Å; H6-Y10 VanDerWaalsContact O-N 3.07Å; E7-Y10 WeakPolarHBondContact O-CB 3.47Å; E7-Y10 PolarHBondContact O-N 3.33Å; Y10-K12 PolarHBondContact O-N 2.93Å; Y10-K12 VanDerWaalsContact O-N 3.15Å
11I53.6Low56.7Low26 Ų26107.3 Ų107.313%0.13352%0.52CS..THydrogen-bonded Turntrans-59-21.9167.9-67.4168.6000111.6I9 Q13 Y25 L147I9-I11 PolarHBondContact O-N 3.18Å; I11-Q13 PolarHBondContact O-N 3.39Å; I11-Y25 PolarHBondContact O-OH 3.23Å; I11-L147 HydrophobicContact CD1-CD2 3.98Å
12K51.9Low58.8Low137 Ų137103.3 Ų103.360%0.59649%0.491SS*.  trans-102.367.5-159.7-59.5-135.8172.2-156.10116.8I9 Y10 Y25I9-K12 PolarHBondContact O-N 2.87Å; Y10-K12 PolarHBondContact O-N 2.93Å; Y10-K12 VanDerWaalsContact O-N 3.15Å; K12-Y25 WeakPolarHBondContact CA-OH 3.35Å
13Q52.9Low61.5Low134 Ų13496 Ų9663%0.62646%0.455SS*.  trans-134.8124.4143.1-68.3-164.816.600111.4I11 T15 D16I11-Q13 PolarHBondContact O-N 3.39Å; Q13-T15 PolarHBondContact O-N 3.24Å; Q13-T15 PolarHBondContact OE1-OG1 3Å; Q13-D16 PolarHBondContact O-N 3.33Å
14R56.7Low63.9Low173 Ų17391.8 Ų91.865%0.65343%0.43SS*.THydrogen-bonded Turntrans-71.522.8174.1-162.9173.8174.1-158.2-4.7113Y25 E29R14-Y25 HydrophobicContact CB-CD2 4.37Å; R14-Y25 HydrophobicContact CB-CE2 4.2Å; R14-Y25 HydrophobicContact CG-CD1 4.49Å; R14-Y25 HydrophobicContact CG-CD2 4.25Å; R14-Y25 HydrophobicContact CG-CG 4.21Å; R14-E29 IonicContact CZ-OE1 3.02Å; R14-E29 IonicContact NE-OE1 2.66Å; R14-E29 PolarHBondContact NE-OE1 2.71Å; R14-E29 IonicContact NH2-OE1 3.15Å; R14-E29 PolarHBondContact NH2-OE1 2.91Å; R14-E29 IonicContact NH2-OE2 2.65Å; R14-E29 PolarHBondContact NH2-OE2 3.17Å; R14-E29 VanDerWaalsContact NH2-OE2 3.16Å
15T55.1Low66.1Low114 Ų11485.7 Ų85.770%0.69940%0.402SS*.THydrogen-bonded Turntrans-137.912.3-177.951.60000111.5Q13Q13-T15 PolarHBondContact O-N 3.24Å; Q13-T15 PolarHBondContact OE1-OG1 3Å
16D67.9Low68.3Low42 Ų4281 Ų8123%0.22538%0.378CS..  trans-70.7131.7172.7-162.5-63.6000110.2Q13 Q18 A21Q13-D16 PolarHBondContact O-N 3.33Å; D16-Q18 VanDerWaalsContact C-N 3.29Å; D16-Q18 PolarHBondContact O-N 2.75Å; D16-Q18 WeakPolarHBondContact OD1-CB 3.37Å; D16-Q18 WeakPolarHBondContact OD1-CG 3.25Å; D16-Q18 PolarHBondContact OD1-N 3.04Å; D16-A21 HydrophobicContact CB-CB 4.1Å
17P73.7Confident70.6Confident108 Ų10874.6 Ų74.670%0.70135%0.349SS*.  trans-72.9-12.8179.330.4-36.7000114.5L19 Q22P17-L19 PolarHBondContact O-N 3.47Å; P17-Q22 PolarHBondContact O-NE2 3.44Å
18Q83.4Confident72.7Confident64 Ų6472.3 Ų72.330%0.29934%0.338SS..  trans-67.9130.2-177.4-68-174.2-36.300112.3D16 L20 A21 Q22 N151D16-Q18 VanDerWaalsContact C-N 3.29Å; D16-Q18 PolarHBondContact O-N 2.75Å; D16-Q18 WeakPolarHBondContact OD1-CB 3.37Å; D16-Q18 WeakPolarHBondContact OD1-CG 3.25Å; D16-Q18 PolarHBondContact OD1-N 3.04Å; Q18-L20 VanDerWaalsContact C-N 3.3Å; Q18-L20 PolarHBondContact O-N 2.94Å; Q18-A21 HydrophobicContact CB-CB 4.42Å; Q18-A21 WeakPolarHBondContact O-CB 3.4Å; Q18-A21 PolarHBondContact O-N 2.81Å; Q18-Q22 PolarHBondContact O-N 2.95Å; Q18-N151 PolarHBondContact NE2-OD1 3.46Å; Q18-N151 VanDerWaalsContact NE2-OD1 3.07Å
19L86.9Confident74.8Confident27 Ų2768.2 Ų68.214%0.14132%0.324CS..Hα-helixtrans-59.6-36.8-175.1-65.8179.4000113.3P17 A21 Q22 F23 Q69 I70P17-L19 PolarHBondContact O-N 3.47Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 2.8Å; L19-Q22 PolarHBondContact O-N 3.19Å; L19-F23 WeakPolarHBondContact O-CB 3.4Å; L19-F23 PolarHBondContact O-N 3.21Å; L19-Q69 HydrophobicContact CD1-CB 3.89Å; L19-Q69 HydrophobicContact CD2-CB 3.98Å; L19-I70 HydrophobicContact CB-CD1 4.28Å; L19-I70 HydrophobicContact CB-CG1 3.71Å; L19-I70 HydrophobicContact CD1-CG1 4.05Å; L19-I70 HydrophobicContact CG-CG1 4.49Å
20L87.1Confident76.9Confident1 Ų163.5 Ų63.51%0.00530%0.3CS..Hα-helixtrans-64.6-34.4175.8-72.9173.9000113Q18 Y24 I70 T142 Q145 A146 L150 Y153 M157Q18-L20 VanDerWaalsContact C-N 3.3Å; Q18-L20 PolarHBondContact O-N 2.94Å; L20-Y24 PolarHBondContact O-N 3.41Å; L20-Y24 VanDerWaalsContact O-N 3.09Å; L20-I70 HydrophobicContact CD2-CD1 4.44Å; L20-T142 HydrophobicContact CD2-CG2 3.55Å; L20-Q145 HydrophobicContact CD1-CG 4.01Å; L20-Q145 HydrophobicContact CD2-CG 4.45Å; L20-A146 HydrophobicContact CB-CB 4.14Å; L20-A146 WeakPolarHBondContact O-CB 3.49Å; L20-L150 HydrophobicContact CB-CD2 3.6Å; L20-Y153 HydrophobicContact CD1-CD1 4.17Å; L20-Y153 HydrophobicContact CD1-CE1 3.81Å; L20-Y153 HydrophobicContact CD2-CD1 4.46Å; L20-Y153 HydrophobicContact CD2-CE1 3.95Å; L20-Y153 HydrophobicContact CG-CD1 4.48Å; L20-Y153 HydrophobicContact CG-CE1 3.75Å; L20-M157 HydrophobicContact CD2-CE 4.04Å; L20-M157 HydrophobicContact CD2-SD 4.47Å
21A85.1Confident79Confident8 Ų856.9 Ų56.97%0.06628%0.277CS..Hα-helixtrans-73.9-40.7175.900000111.3D16 Q18 L19 Y24 Y25 L150D16-A21 HydrophobicContact CB-CB 4.1Å; Q18-A21 HydrophobicContact CB-CB 4.42Å; Q18-A21 WeakPolarHBondContact O-CB 3.4Å; Q18-A21 PolarHBondContact O-N 2.81Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 2.8Å; A21-Y24 PolarHBondContact O-N 3.29Å; A21-Y25 VanDerWaalsContact O-CD2 3.29Å; A21-Y25 WeakPolarHBondContact O-CD2 3.36Å; A21-Y25 PolarHBondContact O-N 3.47Å; A21-L150 HydrophobicContact CB-CD1 4.45Å; A21-L150 HydrophobicContact CB-CD2 4.26Å
22Q88.5Confident80.8Confident74 Ų7461.5 Ų61.535%0.34630%0.298SS..Hα-helixtrans-61.3-43.8172.7-64.6-176.254.600111.6P17 Q18 L19 Y25 A26 I66P17-Q22 PolarHBondContact O-NE2 3.44Å; Q18-Q22 PolarHBondContact O-N 2.95Å; L19-Q22 PolarHBondContact O-N 3.19Å; Q22-Y25 PolarHBondContact O-N 3.3Å; Q22-A26 WeakPolarHBondContact O-CB 3.38Å; Q22-A26 PolarHBondContact O-N 2.89Å; Q22-I66 HydrophobicContact CB-CD1 4.31Å
23F91.5Very high82.6Confident0 Ų055.5 Ų55.50%027%0.273CS..Hα-helixtrans-57.8-49.7175.5175.1-89.9000111.5L19 Y25 A26 D27 V63 I66 I67 I70 R139 T142 R143L19-F23 WeakPolarHBondContact O-CB 3.4Å; L19-F23 PolarHBondContact O-N 3.21Å; F23-Y25 VanDerWaalsContact C-N 3.28Å; F23-Y25 PolarHBondContact O-N 2.98Å; F23-A26 PolarHBondContact O-N 3.43Å; F23-D27 HydrophobicContact CE1-CB 4.02Å; F23-D27 HydrophobicContact CZ-CB 4Å; F23-D27 VanDerWaalsContact O-CB 3.3Å; F23-D27 WeakPolarHBondContact O-CB 3.3Å; F23-D27 PolarHBondContact O-N 3.09Å; F23-V63 HydrophobicContact CE2-CG1 3.9Å; F23-I66 HydrophobicContact CB-CG2 3.79Å; F23-I66 HydrophobicContact CD2-CG2 4.43Å; F23-I67 HydrophobicContact CD2-CG1 4.05Å; F23-I67 HydrophobicContact CE2-CD1 3.96Å; F23-I67 HydrophobicContact CE2-CG1 3.86Å; F23-I70 HydrophobicContact CB-CD1 4.07Å; F23-I70 HydrophobicContact CG-CD1 4.46Å; F23-R139 HydrophobicContact CZ-CB 4.16Å; F23-R139 HydrophobicContact CZ-CG 4.2Å; F23-T142 HydrophobicContact CB-CG2 4.24Å; F23-T142 HydrophobicContact CD1-CG2 3.41Å; F23-T142 VanDerWaalsContact CD1-CG2 3.41Å; F23-T142 HydrophobicContact CD2-CG2 4.03Å; F23-T142 HydrophobicContact CE1-CG2 3.79Å; F23-T142 HydrophobicContact CE2-CG2 4.34Å; F23-T142 HydrophobicContact CG-CG2 3.57Å; F23-T142 HydrophobicContact CZ-CG2 4.25Å; F23-R143 HydrophobicContact CE1-CB 4.15Å
24Y89.9Confident84.3Confident45 Ų4550 Ų5018%0.17625%0.25CS..Hα-helixtrans-54.5-45.5-179.4179.2-86.7000111.7L20 A21 E28 L147L20-Y24 PolarHBondContact O-N 3.41Å; L20-Y24 VanDerWaalsContact O-N 3.09Å; A21-Y24 PolarHBondContact O-N 3.29Å; Y24-E28 WeakPolarHBondContact O-CB 3.48Å; Y24-E28 PolarHBondContact O-N 3.32Å; Y24-E28 PolarHBondContact OH-OE1 2.91Å; Y24-L147 HydrophobicContact CD2-CD2 4.24Å; Y24-L147 HydrophobicContact CD2-CG 4.42Å; Y24-L147 HydrophobicContact CE2-CD1 4.49Å; Y24-L147 HydrophobicContact CE2-CD2 3.67Å; Y24-L147 HydrophobicContact CE2-CG 4.1Å
25Y89Confident85.9Confident29 Ų2945.8 Ų45.811%0.11424%0.244CC..Hα-helixtrans-71.1-40.6178.8-75.2-57.8000113.7I11 K12 R14 A21 Q22 F23 D27 E28 E29I11-Y25 PolarHBondContact O-OH 3.23Å; K12-Y25 WeakPolarHBondContact CA-OH 3.35Å; R14-Y25 HydrophobicContact CB-CD2 4.37Å; R14-Y25 HydrophobicContact CB-CE2 4.2Å; R14-Y25 HydrophobicContact CG-CD1 4.49Å; R14-Y25 HydrophobicContact CG-CD2 4.25Å; R14-Y25 HydrophobicContact CG-CG 4.21Å; A21-Y25 VanDerWaalsContact O-CD2 3.29Å; A21-Y25 WeakPolarHBondContact O-CD2 3.36Å; A21-Y25 PolarHBondContact O-N 3.47Å; Q22-Y25 PolarHBondContact O-N 3.3Å; F23-Y25 VanDerWaalsContact C-N 3.28Å; F23-Y25 PolarHBondContact O-N 2.98Å; Y25-D27 VanDerWaalsContact C-N 3.28Å; Y25-D27 PolarHBondContact O-N 2.9Å; Y25-E28 PolarHBondContact O-N 2.89Å; Y25-E29 WeakPolarHBondContact O-CB 3.42Å; Y25-E29 WeakPolarHBondContact O-CG 3.39Å; Y25-E29 PolarHBondContact O-N 3.35Å
26A90.6Very high87.5Confident3 Ų343.1 Ų43.13%0.02522%0.224CC..Hα-helixtrans-63.3-36.8176.500000112.1Q22 F23 L30 N62 V63 I66Q22-A26 WeakPolarHBondContact O-CB 3.38Å; Q22-A26 PolarHBondContact O-N 2.89Å; F23-A26 PolarHBondContact O-N 3.43Å; A26-L30 WeakPolarHBondContact O-CB 3.44Å; A26-L30 PolarHBondContact O-N 3.15Å; A26-N62 WeakPolarHBondContact CB-ND2 3.39Å; A26-V63 HydrophobicContact CB-CG2 3.77Å; A26-I66 HydrophobicContact CB-CD1 3.52Å
27D91.9Very high88.4Confident3 Ų341.5 Ų41.52%0.01622%0.215CC..Hα-helixtrans-72.7-41.2175.8-172.885.9000112.5F23 Y25 E29 L30 N31 R139 R143F23-D27 HydrophobicContact CE1-CB 4.02Å; F23-D27 HydrophobicContact CZ-CB 4Å; F23-D27 VanDerWaalsContact O-CB 3.3Å; F23-D27 WeakPolarHBondContact O-CB 3.3Å; F23-D27 PolarHBondContact O-N 3.09Å; Y25-D27 VanDerWaalsContact C-N 3.28Å; Y25-D27 PolarHBondContact O-N 2.9Å; D27-E29 VanDerWaalsContact C-N 3.33Å; D27-E29 PolarHBondContact O-N 3.42Å; D27-L30 PolarHBondContact O-N 3.32Å; D27-N31 WeakPolarHBondContact O-CB 3.2Å; D27-N31 PolarHBondContact O-N 3.25Å; D27-N31 PolarHBondContact O-ND2 3.26Å; D27-N31 PolarHBondContact OD2-ND2 2.93Å; D27-R139 IonicContact OD1-CZ 2.76Å; D27-R139 IonicContact OD1-NE 3.99Å; D27-R139 PolarHBondContact OD1-NE 2.95Å; D27-R139 IonicContact OD1-NH2 2.99Å; D27-R139 PolarHBondContact OD1-NH2 2.86Å; D27-R139 IonicContact OD2-NH2 3.08Å; D27-R143 VanDerWaalsContact CG-NH2 3.29Å; D27-R143 IonicContact OD1-CZ 3.72Å; D27-R143 IonicContact OD1-NH2 3.02Å; D27-R143 PolarHBondContact OD1-NH2 3.4Å; D27-R143 IonicContact OD2-CZ 3.75Å; D27-R143 IonicContact OD2-NE 2.9Å; D27-R143 PolarHBondContact OD2-NE 3.5Å; D27-R143 IonicContact OD2-NH2 3.97Å; D27-R143 PolarHBondContact OD2-NH2 3.19Å
28E90.4Very high88.8Confident84 Ų8441.2 Ų41.239%0.39321%0.207SC..Hα-helixtrans-59.2-42.6172.3-171.6173.8-118.300111Y24 Y25 Q32Y24-E28 WeakPolarHBondContact O-CB 3.48Å; Y24-E28 PolarHBondContact O-N 3.32Å; Y24-E28 PolarHBondContact OH-OE1 2.91Å; Y25-E28 PolarHBondContact O-N 2.89Å; E28-Q32 WeakPolarHBondContact O-CB 3.36Å; E28-Q32 PolarHBondContact O-N 3.32Å
29E91.6Very high89Confident70 Ų7042.6 Ų42.633%0.32722%0.224SC..Hα-helixtrans-65.4-44.9174.2-72.7178-13700112.5R14 Y25 D27 N31 Q32 V33R14-E29 IonicContact CZ-OE1 3.02Å; R14-E29 IonicContact NE-OE1 2.66Å; R14-E29 PolarHBondContact NE-OE1 2.71Å; R14-E29 IonicContact NH2-OE1 3.15Å; R14-E29 PolarHBondContact NH2-OE1 2.91Å; R14-E29 IonicContact NH2-OE2 2.65Å; R14-E29 PolarHBondContact NH2-OE2 3.17Å; R14-E29 VanDerWaalsContact NH2-OE2 3.16Å; Y25-E29 WeakPolarHBondContact O-CB 3.42Å; Y25-E29 WeakPolarHBondContact O-CG 3.39Å; Y25-E29 PolarHBondContact O-N 3.35Å; D27-E29 VanDerWaalsContact C-N 3.33Å; D27-E29 PolarHBondContact O-N 3.42Å; E29-N31 PolarHBondContact O-N 2.69Å; E29-Q32 PolarHBondContact O-N 3.21Å; E29-V33 WeakPolarHBondContact O-CG2 3.42Å; E29-V33 PolarHBondContact O-N 2.82Å
30L90.6Very high89Confident11 Ų1142.8 Ų42.86%0.05823%0.225CC..Hα-helixtrans-59.2-47.2176.9177.357.8000111.9A26 D27 Q32 V33 A34 F56 C59 Q60 V63A26-L30 WeakPolarHBondContact O-CB 3.44Å; A26-L30 PolarHBondContact O-N 3.15Å; D27-L30 PolarHBondContact O-N 3.32Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.73Å; L30-V33 PolarHBondContact O-N 2.68Å; L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.44Å; L30-F56 HydrophobicContact CD1-CD2 3.63Å; L30-F56 HydrophobicContact CD1-CE2 3.57Å; L30-F56 HydrophobicContact CD1-CG 4.44Å; L30-F56 HydrophobicContact CD1-CZ 4.35Å; L30-C59 HydrophobicContact CB-CB 3.95Å; L30-C59 HydrophobicContact CD1-CB 3.7Å; L30-C59 HydrophobicContact CG-CB 4.4Å; L30-Q60 HydrophobicContact CD1-CG 3.84Å; L30-V63 HydrophobicContact CB-CG2 4.32Å; L30-V63 HydrophobicContact CD2-CB 4.36Å; L30-V63 HydrophobicContact CD2-CG2 3.97Å
31N90.7Very high88.6Confident42 Ų4245.7 Ų45.723%0.22524%0.241CC..Hα-helixtrans-66.2-34.4178.8-64.6-36.9000112.1D27 E29 T35 R139D27-N31 WeakPolarHBondContact O-CB 3.2Å; D27-N31 PolarHBondContact O-N 3.25Å; D27-N31 PolarHBondContact O-ND2 3.26Å; D27-N31 PolarHBondContact OD2-ND2 2.93Å; E29-N31 PolarHBondContact O-N 2.69Å; N31-T35 WeakPolarHBondContact O-CB 3.17Å; N31-T35 PolarHBondContact O-N 2.66Å; N31-T35 PolarHBondContact O-OG1 2.86Å; N31-R139 PolarHBondContact OD1-NH2 2.97Å
32Q91.5Very high88.2Confident123 Ų12346 Ų4658%0.57525%0.245SC*.Hα-helixtrans-67.2-41.4175.6179.758.891.700111.9E28 E29 L30 T35 E36E28-Q32 WeakPolarHBondContact O-CB 3.36Å; E28-Q32 PolarHBondContact O-N 3.32Å; E29-Q32 PolarHBondContact O-N 3.21Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.73Å; Q32-T35 PolarHBondContact O-N 3.26Å; Q32-E36 PolarHBondContact O-N 3.2Å
33V90.3Very high87.5Confident11 Ų1148.4 Ų48.47%0.06725%0.251CS..Hα-helixtrans-69.4-38.3176.2179.40000111.2E29 L30 E36 L37 L52 Q55 F56E29-V33 WeakPolarHBondContact O-CG2 3.42Å; E29-V33 PolarHBondContact O-N 2.82Å; L30-V33 PolarHBondContact O-N 2.68Å; V33-E36 PolarHBondContact O-N 3.41Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 PolarHBondContact O-N 3.32Å; V33-L52 HydrophobicContact CG1-CD2 4.29Å; V33-Q55 HydrophobicContact CG1-CB 4.38Å; V33-Q55 HydrophobicContact CG1-CG 4.46Å; V33-Q55 HydrophobicContact CG2-CG 4.19Å; V33-F56 HydrophobicContact CG1-CB 3.86Å
34A87.9Confident87Confident17 Ų1756.4 Ų56.414%0.1429%0.286CS..Hα-helixtrans-57-50.5172.600000111.5L30 E36 L37 D38 F56 L596L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.44Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 2.91Å; A34-L37 WeakPolarHBondContact O-CB 3.23Å; A34-L37 PolarHBondContact O-N 3.37Å; A34-D38 PolarHBondContact O-N 2.9Å; A34-F56 HydrophobicContact CB-CD2 4.32Å; A34-F56 HydrophobicContact CB-CE2 3.9Å; A34-L596 HydrophobicContact CB-CD2 4.27Å
35T89.8Confident86.8Confident86 Ų8657.2 Ų57.253%0.52829%0.293SS..Hα-helixtrans-62.6-35179.5-52.40000112.2N31 Q32 S39N31-T35 WeakPolarHBondContact O-CB 3.17Å; N31-T35 PolarHBondContact O-N 2.66Å; N31-T35 PolarHBondContact O-OG1 2.86Å; Q32-T35 PolarHBondContact O-N 3.26Å; T35-S39 PolarHBondContact O-N 3.27Å
36E89.7Confident86.4Confident58 Ų5859.6 Ų59.627%0.27131%0.312SS..Hα-helixtrans-67.9-40.7173.7-167.7178.1152.900111.3Q32 V33 A34 S39 L40 R48 L52Q32-E36 PolarHBondContact O-N 3.2Å; V33-E36 PolarHBondContact O-N 3.41Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 2.91Å; E36-S39 PolarHBondContact O-N 3.3Å; E36-S39 PolarHBondContact O-OG 2.57Å; E36-L40 PolarHBondContact O-N 3.49Å; E36-R48 IonicContact OE1-CZ 3.04Å; E36-R48 VanDerWaalsContact OE1-CZ 3.26Å; E36-R48 IonicContact OE1-NE 2.62Å; E36-R48 PolarHBondContact OE1-NE 3.47Å; E36-R48 IonicContact OE1-NH2 3.26Å; E36-R48 PolarHBondContact OE1-NH2 3.33Å; E36-L52 HydrophobicContact CB-CD1 4.43Å; E36-L52 HydrophobicContact CB-CD2 4.4Å; E36-L52 HydrophobicContact CG-CD1 3.84Å; E36-L52 HydrophobicContact CG-CD2 4.19Å
37L85.8Confident86.2Confident8 Ų866.9 Ų66.94%0.04235%0.345CS..Hα-helixtrans-66.5-41.9178.1-172.562.7000112.4V33 A34 S39 L40 L52 V53 L596V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 PolarHBondContact O-N 3.32Å; A34-L37 WeakPolarHBondContact O-CB 3.23Å; A34-L37 PolarHBondContact O-N 3.37Å; L37-S39 PolarHBondContact O-N 2.88Å; L37-L40 PolarHBondContact O-N 3.01Å; L37-L52 HydrophobicContact CD1-CB 4.06Å; L37-V53 HydrophobicContact CD1-CG2 4.02Å; L37-V53 HydrophobicContact CD2-CG2 4.01Å; L37-L596 HydrophobicContact CD2-CD2 4.38Å; L37-L596 HydrophobicContact CG-CD1 4.45Å
38D83.4Confident85.8Confident101 Ų10172.1 Ų72.154%0.5437%0.365SS..Hα-helixtrans-55.2-39.5170-85.8-54.1000112.1A34 L40 L596A34-D38 PolarHBondContact O-N 2.9Å; D38-L40 VanDerWaalsContact C-N 3.27Å; D38-L40 PolarHBondContact O-N 3.28Å; D38-L596 WeakPolarHBondContact OD1-CD1 3.43Å
39S87.3Confident85.5Confident93 Ų9369 Ų6965%0.6535%0.352SS*.THydrogen-bonded Turntrans-77.2-9.5-178.179.70000114.4T35 E36 L37T35-S39 PolarHBondContact O-N 3.27Å; E36-S39 PolarHBondContact O-N 3.3Å; E36-S39 PolarHBondContact O-OG 2.57Å; L37-S39 PolarHBondContact O-N 2.88Å
40L85.9Confident85.2Confident32 Ų3269.1 Ų69.117%0.16836%0.357CS..  trans-96.6119.5-170.4-167.992.8000112.5E36 L37 D38 G42 R48 C49 L52E36-L40 PolarHBondContact O-N 3.49Å; L37-L40 PolarHBondContact O-N 3.01Å; D38-L40 VanDerWaalsContact C-N 3.27Å; D38-L40 PolarHBondContact O-N 3.28Å; L40-G42 PolarHBondContact O-N 3.32Å; L40-R48 HydrophobicContact CD1-CB 4.45Å; L40-R48 HydrophobicContact CD1-CG 4.02Å; L40-C49 VanDerWaalsContact CD2-CA 3.44Å; L40-C49 HydrophobicContact CD2-CB 3.55Å; L40-L52 HydrophobicContact CD1-CD1 4.45Å; L40-L52 HydrophobicContact CD2-CD1 4.3Å
41D79.7Confident85Confident61 Ų6174.3 Ų74.333%0.32639%0.385SS..  trans-73.196.3163.2-174.2-16.8000110.5R43 K44 D45D41-R43 PolarHBondContact O-N 3.08Å; D41-R43 VanDerWaalsContact O-N 3.11Å; D41-R43 WeakPolarHBondContact OD1-CB 3.5Å; D41-R43 PolarHBondContact OD1-N 2.73Å; D41-K44 HydrophobicContact CB-CB 4.28Å; D41-K44 HydrophobicContact CB-CD 4.14Å; D41-K44 HydrophobicContact CB-CG 4.07Å; D41-K44 WeakPolarHBondContact O-CB 3.43Å; D41-K44 PolarHBondContact O-N 2.89Å; D41-K44 IonicContact OD2-NZ 2.7Å; D41-K44 PolarHBondContact OD2-NZ 3.03Å; D41-D45 PolarHBondContact O-N 3.17Å
42G75.5Confident84.8Confident15 Ų1572.5 Ų72.516%0.15538%0.375CS..THydrogen-bonded Turntrans-60.5-14.9178.300000115.4L40L40-G42 PolarHBondContact O-N 3.32Å
43R75.7Confident84.4Confident124 Ų12468 Ų6847%0.46836%0.356SS..THydrogen-bonded Turntrans-79-23.9169.9-65179.7-175.7155.16.4112.3D41 C586 G587 L589D41-R43 PolarHBondContact O-N 3.08Å; D41-R43 VanDerWaalsContact O-N 3.11Å; D41-R43 WeakPolarHBondContact OD1-CB 3.5Å; D41-R43 PolarHBondContact OD1-N 2.73Å; R43-C586 PolarHBondContact NH2-SG 2.98Å; R43-G587 PolarHBondContact NH2-O 3.22Å; R43-L589 HydrophobicContact CG-CD1 3.92Å; R43-L589 HydrophobicContact CG-CD2 4.04Å; R43-L589 HydrophobicContact CG-CG 3.87Å
44K80.9Confident84.1Confident169 Ų16971 Ų7174%0.73537%0.372SS*.THydrogen-bonded Turntrans-85-37178.1-67.6-173.5-179.184.80112.7D41D41-K44 HydrophobicContact CB-CB 4.28Å; D41-K44 HydrophobicContact CB-CD 4.14Å; D41-K44 HydrophobicContact CB-CG 4.07Å; D41-K44 WeakPolarHBondContact O-CB 3.43Å; D41-K44 PolarHBondContact O-N 2.89Å; D41-K44 IonicContact OD2-NZ 2.7Å; D41-K44 PolarHBondContact OD2-NZ 3.03Å
45D85.2Confident84.1Confident61 Ų6175.3 Ų75.333%0.32639%0.389SS..  trans-138.282.5177.9-169-14.2000112D41 Q47 R48 C49D41-D45 PolarHBondContact O-N 3.17Å; D45-Q47 PolarHBondContact O-N 3.13Å; D45-Q47 PolarHBondContact OD1-N 2.92Å; D45-R48 HydrophobicContact CB-CB 4.2Å; D45-R48 WeakPolarHBondContact OD1-CB 3.44Å; D45-R48 PolarHBondContact OD1-N 3.46Å; D45-R48 WeakPolarHBondContact OD2-CB 3.43Å; D45-C49 WeakPolarHBondContact O-CB 3.33Å; D45-C49 PolarHBondContact O-N 2.94Å
46P80.6Confident84Confident79 Ų7971.8 Ų71.851%0.51337%0.366SS..Hα-helixtrans-69.2-20.5178.628-34.9000113T50P46-T50 WeakPolarHBondContact O-CB 3.49Å; P46-T50 PolarHBondContact O-N 2.76Å; P46-T50 PolarHBondContact O-OG1 3.25Å
47Q85.6Confident83.8Confident156 Ų15671.2 Ų71.273%0.72936%0.362SS*.Hα-helixtrans-75-48.8178.3-69.4-171.6-13.100110.6D45 C49 T50 L51D45-Q47 PolarHBondContact O-N 3.13Å; D45-Q47 PolarHBondContact OD1-N 2.92Å; Q47-C49 VanDerWaalsContact C-N 3.33Å; Q47-C49 PolarHBondContact O-N 2.89Å; Q47-T50 PolarHBondContact O-N 3.04Å; Q47-L51 WeakPolarHBondContact O-CG 3.35Å; Q47-L51 PolarHBondContact O-N 2.92Å
48R84.6Confident83.8Confident114 Ų11474.5 Ų74.543%0.4339%0.386SS..Hα-helixtrans-64.2-36.8172.4-174.3172.7176-170.40.8112.1E36 L40 D45 T50 L51 L52E36-R48 IonicContact OE1-CZ 3.04Å; E36-R48 VanDerWaalsContact OE1-CZ 3.26Å; E36-R48 IonicContact OE1-NE 2.62Å; E36-R48 PolarHBondContact OE1-NE 3.47Å; E36-R48 IonicContact OE1-NH2 3.26Å; E36-R48 PolarHBondContact OE1-NH2 3.33Å; L40-R48 HydrophobicContact CD1-CB 4.45Å; L40-R48 HydrophobicContact CD1-CG 4.02Å; D45-R48 HydrophobicContact CB-CB 4.2Å; D45-R48 WeakPolarHBondContact OD1-CB 3.44Å; D45-R48 PolarHBondContact OD1-N 3.46Å; D45-R48 WeakPolarHBondContact OD2-CB 3.43Å; R48-T50 VanDerWaalsContact C-N 3.34Å; R48-T50 PolarHBondContact O-N 3.47Å; R48-L51 PolarHBondContact O-N 3.4Å; R48-L52 HydrophobicContact CG-CD1 3.93Å; R48-L52 HydrophobicContact CG-CG 4.26Å; R48-L52 WeakPolarHBondContact O-CB 3.37Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.11Å
49C84.3Confident84.1Confident17 Ų1770.4 Ų70.412%0.11536%0.364CS..Hα-helixtrans-57.1-47.1172-1680000111.6L40 D45 Q47 L51 L52 V53L40-C49 VanDerWaalsContact CD2-CA 3.44Å; L40-C49 HydrophobicContact CD2-CB 3.55Å; D45-C49 WeakPolarHBondContact O-CB 3.33Å; D45-C49 PolarHBondContact O-N 2.94Å; Q47-C49 VanDerWaalsContact C-N 3.33Å; Q47-C49 PolarHBondContact O-N 2.89Å; C49-L51 PolarHBondContact O-N 2.83Å; C49-L52 PolarHBondContact O-N 2.91Å; C49-V53 WeakPolarHBondContact O-CG2 3.48Å; C49-V53 PolarHBondContact O-N 3.01Å
50T83.9Confident84.1Confident73 Ų7366.4 Ų66.445%0.44834%0.336SS..Hα-helixtrans-65.3-39.3178.8-55.30000112P46 Q47 R48 N54P46-T50 WeakPolarHBondContact O-CB 3.49Å; P46-T50 PolarHBondContact O-N 2.76Å; P46-T50 PolarHBondContact O-OG1 3.25Å; Q47-T50 PolarHBondContact O-N 3.04Å; R48-T50 VanDerWaalsContact C-N 3.34Å; R48-T50 PolarHBondContact O-N 3.47Å; T50-N54 PolarHBondContact O-N 3.26Å; T50-N54 PolarHBondContact O-ND2 3.41Å; T50-N54 VanDerWaalsContact O-ND2 3.13Å
51L87.6Confident84.2Confident120 Ų12066.5 Ų66.563%0.62834%0.336SS*.Hα-helixtrans-64.1-47.7175.3-72.1169000112Q47 R48 C49 N54 Q55Q47-L51 WeakPolarHBondContact O-CG 3.35Å; Q47-L51 PolarHBondContact O-N 2.92Å; R48-L51 PolarHBondContact O-N 3.4Å; C49-L51 PolarHBondContact O-N 2.83Å; L51-N54 PolarHBondContact O-N 3.04Å; L51-Q55 WeakPolarHBondContact O-CB 3.38Å; L51-Q55 PolarHBondContact O-N 3.26Å
52L85.3Confident84.7Confident5 Ų567.1 Ų67.13%0.02634%0.34CS..Hα-helixtrans-65.6-38.3179.7-72.4171.9000112.5V33 E36 L37 L40 R48 C49 Q55 F56V33-L52 HydrophobicContact CG1-CD2 4.29Å; E36-L52 HydrophobicContact CB-CD1 4.43Å; E36-L52 HydrophobicContact CB-CD2 4.4Å; E36-L52 HydrophobicContact CG-CD1 3.84Å; E36-L52 HydrophobicContact CG-CD2 4.19Å; L37-L52 HydrophobicContact CD1-CB 4.06Å; L40-L52 HydrophobicContact CD1-CD1 4.45Å; L40-L52 HydrophobicContact CD2-CD1 4.3Å; R48-L52 HydrophobicContact CG-CD1 3.93Å; R48-L52 HydrophobicContact CG-CG 4.26Å; R48-L52 WeakPolarHBondContact O-CB 3.37Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.11Å; C49-L52 PolarHBondContact O-N 2.91Å; L52-Q55 PolarHBondContact O-N 3.41Å; L52-F56 VanDerWaalsContact O-CB 3.22Å; L52-F56 WeakPolarHBondContact O-CB 3.21Å; L52-F56 PolarHBondContact O-N 2.91Å
53V83.2Confident85.4Confident29 Ų2966.6 Ų66.618%0.17633%0.333CS..Hα-helixtrans-64.3-40.4174.61690000111.7L37 C49 R57L37-V53 HydrophobicContact CD1-CG2 4.02Å; L37-V53 HydrophobicContact CD2-CG2 4.01Å; C49-V53 WeakPolarHBondContact O-CG2 3.48Å; C49-V53 PolarHBondContact O-N 3.01Å; V53-R57 WeakPolarHBondContact O-CG 3.44Å; V53-R57 PolarHBondContact O-N 2.94Å; V53-R57 VanDerWaalsContact O-N 3.11Å
54N85.1Confident86.2Confident74 Ų7461.5 Ų61.540%0.39632%0.315SS..Hα-helixtrans-68.4-36.7175.2-72.5-31.1000112.2T50 L51 S58T50-N54 PolarHBondContact O-N 3.26Å; T50-N54 PolarHBondContact O-ND2 3.41Å; T50-N54 VanDerWaalsContact O-ND2 3.13Å; L51-N54 PolarHBondContact O-N 3.04Å; N54-S58 PolarHBondContact O-N 3.41Å; N54-S58 VanDerWaalsContact O-N 3.09Å
55Q88Confident86.6Confident106 Ų10657.5 Ų57.550%0.49530%0.302SS..Hα-helixtrans-69.4-41.9176.1-168.8171.7-600111.7V33 L51 L52 R57 S58 C59V33-Q55 HydrophobicContact CG1-CB 4.38Å; V33-Q55 HydrophobicContact CG1-CG 4.46Å; V33-Q55 HydrophobicContact CG2-CG 4.19Å; L51-Q55 WeakPolarHBondContact O-CB 3.38Å; L51-Q55 PolarHBondContact O-N 3.26Å; L52-Q55 PolarHBondContact O-N 3.41Å; Q55-R57 PolarHBondContact O-N 3.2Å; Q55-S58 WeakPolarHBondContact O-CB 3.43Å; Q55-S58 PolarHBondContact O-N 3.16Å; Q55-C59 PolarHBondContact O-N 3.42Å; Q55-C59 PolarHBondContact O-SG 3.32Å; Q55-C59 VanDerWaalsContact O-SG 3.35Å
56F86Confident86.9Confident12 Ų1254.9 Ų54.95%0.05329%0.288CS..Hα-helixtrans-56.7-49.3174.6178.2-105.7000111.1L30 V33 A34 L52 S58 C59 Q60 L595L30-F56 HydrophobicContact CD1-CD2 3.63Å; L30-F56 HydrophobicContact CD1-CE2 3.57Å; L30-F56 HydrophobicContact CD1-CG 4.44Å; L30-F56 HydrophobicContact CD1-CZ 4.35Å; V33-F56 HydrophobicContact CG1-CB 3.86Å; A34-F56 HydrophobicContact CB-CD2 4.32Å; A34-F56 HydrophobicContact CB-CE2 3.9Å; L52-F56 VanDerWaalsContact O-CB 3.22Å; L52-F56 WeakPolarHBondContact O-CB 3.21Å; L52-F56 PolarHBondContact O-N 2.91Å; F56-S58 PolarHBondContact O-N 3.14Å; F56-C59 CarbonylContact O-C 3.56Å; F56-C59 WeakPolarHBondContact O-CA 3.13Å; F56-C59 WeakPolarHBondContact O-CB 3.3Å; F56-C59 PolarHBondContact O-N 3.1Å; F56-Q60 HydrophobicContact CD1-CG 4.28Å; F56-Q60 HydrophobicContact CE1-CG 4.05Å; F56-Q60 VanDerWaalsContact CE1-NE2 3.27Å; F56-Q60 HydrophobicContact CZ-CG 4.26Å; F56-Q60 WeakPolarHBondContact O-CG 3.37Å; F56-Q60 PolarHBondContact O-N 3.15Å; F56-L595 HydrophobicContact CE1-CB 4.36Å; F56-L595 HydrophobicContact CE1-CD2 4.45Å
57R85.4Confident87.5Confident46 Ų4651.2 Ų51.217%0.17426%0.264CS..Hα-helixtrans-57.6-45.4173.4-75.4170.5163.6-165.3-10.5112.9V53 Q55 C59 Q60 D61V53-R57 WeakPolarHBondContact O-CG 3.44Å; V53-R57 PolarHBondContact O-N 2.94Å; V53-R57 VanDerWaalsContact O-N 3.11Å; Q55-R57 PolarHBondContact O-N 3.2Å; R57-C59 PolarHBondContact O-N 3.37Å; R57-Q60 WeakPolarHBondContact O-CB 3.47Å; R57-Q60 PolarHBondContact O-N 2.87Å; R57-Q60 VanDerWaalsContact O-N 3.12Å; R57-D61 PolarHBondContact O-N 2.91Å
58S87.6Confident87.8Confident78 Ų7845.8 Ų45.855%0.54524%0.243SC..Hα-helixtrans-62.4-27.5175.7-169.20000113N54 Q55 F56 N62N54-S58 PolarHBondContact O-N 3.41Å; N54-S58 VanDerWaalsContact O-N 3.09Å; Q55-S58 WeakPolarHBondContact O-CB 3.43Å; Q55-S58 PolarHBondContact O-N 3.16Å; F56-S58 PolarHBondContact O-N 3.14Å; S58-N62 WeakPolarHBondContact O-CB 3.48Å; S58-N62 PolarHBondContact O-N 3.48Å
59C88.9Confident88.1Confident14 Ų1444.4 Ų44.410%0.09524%0.241CC..Hα-helixtrans-78.1-39.5172-660000112.1L30 Q55 F56 R57 N62 V63L30-C59 HydrophobicContact CB-CB 3.95Å; L30-C59 HydrophobicContact CD1-CB 3.7Å; L30-C59 HydrophobicContact CG-CB 4.4Å; Q55-C59 PolarHBondContact O-N 3.42Å; Q55-C59 PolarHBondContact O-SG 3.32Å; Q55-C59 VanDerWaalsContact O-SG 3.35Å; F56-C59 CarbonylContact O-C 3.56Å; F56-C59 WeakPolarHBondContact O-CA 3.13Å; F56-C59 WeakPolarHBondContact O-CB 3.3Å; F56-C59 PolarHBondContact O-N 3.1Å; R57-C59 PolarHBondContact O-N 3.37Å; C59-N62 PolarHBondContact O-N 2.87Å; C59-V63 WeakPolarHBondContact O-CG2 3.37Å; C59-V63 PolarHBondContact O-N 2.84Å
60Q88.1Confident88.4Confident10 Ų1043.6 Ų43.65%0.04724%0.236CC..Hα-helixtrans-58.6-51.8172.7-68.3175.4-57.600110.7L30 F56 R57 N62 V63 L64 W102 E106L30-Q60 HydrophobicContact CD1-CG 3.84Å; F56-Q60 HydrophobicContact CD1-CG 4.28Å; F56-Q60 HydrophobicContact CE1-CG 4.05Å; F56-Q60 VanDerWaalsContact CE1-NE2 3.27Å; F56-Q60 HydrophobicContact CZ-CG 4.26Å; F56-Q60 WeakPolarHBondContact O-CG 3.37Å; F56-Q60 PolarHBondContact O-N 3.15Å; R57-Q60 WeakPolarHBondContact O-CB 3.47Å; R57-Q60 PolarHBondContact O-N 2.87Å; R57-Q60 VanDerWaalsContact O-N 3.12Å; Q60-N62 VanDerWaalsContact C-N 3.29Å; Q60-N62 PolarHBondContact O-N 2.87Å; Q60-V63 PolarHBondContact O-N 2.69Å; Q60-L64 WeakPolarHBondContact O-CG 3.18Å; Q60-L64 PolarHBondContact O-N 3.46Å; Q60-W102 VanDerWaalsContact NE2-NE1 3.16Å; Q60-E106 PolarHBondContact NE2-OE1 3.32Å; Q60-E106 PolarHBondContact NE2-OE2 2.67Å
61D86.8Confident88.8Confident33 Ų3340.5 Ų40.518%0.17622%0.216CC..Hα-helixtrans-58-41.3177.8-69-6.1000111.1R57 N65 N96 G99R57-D61 PolarHBondContact O-N 2.91Å; D61-N65 WeakPolarHBondContact O-CB 3.48Å; D61-N65 PolarHBondContact O-N 2.9Å; D61-N65 PolarHBondContact O-ND2 3.42Å; D61-N96 PolarHBondContact OD2-ND2 2.86Å; D61-G99 VanDerWaalsContact OD1-CA 3.25Å; D61-G99 WeakPolarHBondContact OD1-CA 3.36Å
62N90.1Very high88.9Confident75 Ų7538.8 Ų38.840%0.40121%0.208SC..Hα-helixtrans-65.2-45.4177-17344.2000112.3A26 S58 C59 Q60 N65 I66A26-N62 WeakPolarHBondContact CB-ND2 3.39Å; S58-N62 WeakPolarHBondContact O-CB 3.48Å; S58-N62 PolarHBondContact O-N 3.48Å; C59-N62 PolarHBondContact O-N 2.87Å; Q60-N62 VanDerWaalsContact C-N 3.29Å; Q60-N62 PolarHBondContact O-N 2.87Å; N62-N65 PolarHBondContact O-N 3.22Å; N62-I66 WeakPolarHBondContact O-CG1 3.27Å; N62-I66 PolarHBondContact O-N 2.99Å
63V91.6Very high89Confident3 Ų344 Ų442%0.01823%0.232CC..Hα-helixtrans-62.4-43.8177.1168.60000111.1F23 A26 L30 C59 Q60 I66 I67F23-V63 HydrophobicContact CE2-CG1 3.9Å; A26-V63 HydrophobicContact CB-CG2 3.77Å; L30-V63 HydrophobicContact CB-CG2 4.32Å; L30-V63 HydrophobicContact CD2-CB 4.36Å; L30-V63 HydrophobicContact CD2-CG2 3.97Å; C59-V63 WeakPolarHBondContact O-CG2 3.37Å; C59-V63 PolarHBondContact O-N 2.84Å; Q60-V63 PolarHBondContact O-N 2.69Å; V63-I66 PolarHBondContact O-N 3.22Å; V63-I67 HydrophobicContact CG1-CD1 3.87Å; V63-I67 WeakPolarHBondContact O-CG1 3.42Å; V63-I67 PolarHBondContact O-N 2.84Å
64L90.6Very high89.2Confident17 Ų1743.4 Ų43.49%0.08923%0.229CC..Hα-helixtrans-62.5-42.4175.9-71.7168.4000112.3Q60 I66 I67 S68 W102 L135 F164Q60-L64 WeakPolarHBondContact O-CG 3.18Å; Q60-L64 PolarHBondContact O-N 3.46Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.25Å; L64-I67 PolarHBondContact O-N 3.34Å; L64-S68 PolarHBondContact O-N 3.28Å; L64-W102 HydrophobicContact CD1-CB 3.61Å; L64-W102 HydrophobicContact CD1-CD2 4.48Å; L64-W102 HydrophobicContact CD1-CG 3.73Å; L64-L135 HydrophobicContact CD2-CD1 4.09Å; L64-L135 HydrophobicContact CD2-CD2 3.85Å; L64-F164 HydrophobicContact CD2-CZ 4.33Å
65N91.1Very high89.4Confident86 Ų8640 Ų4046%0.4621%0.211SC..Hα-helixtrans-63.8-36176.4-81-56.7000112.7D61 N62 Q69D61-N65 WeakPolarHBondContact O-CB 3.48Å; D61-N65 PolarHBondContact O-N 2.9Å; D61-N65 PolarHBondContact O-ND2 3.42Å; N62-N65 PolarHBondContact O-N 3.22Å; N65-Q69 WeakPolarHBondContact O-CG 3.35Å; N65-Q69 PolarHBondContact O-N 3.13Å; N65-Q69 PolarHBondContact O-NE2 2.92Å
66I91.6Very high89.4Confident6 Ų638.8 Ų38.83%0.03121%0.212CC..Hα-helixtrans-72.4-40.2174.6-64.2161.7000110.7Q22 F23 A26 N62 V63 L64 S68 Q69 I70Q22-I66 HydrophobicContact CB-CD1 4.31Å; F23-I66 HydrophobicContact CB-CG2 3.79Å; F23-I66 HydrophobicContact CD2-CG2 4.43Å; A26-I66 HydrophobicContact CB-CD1 3.52Å; N62-I66 WeakPolarHBondContact O-CG1 3.27Å; N62-I66 PolarHBondContact O-N 2.99Å; V63-I66 PolarHBondContact O-N 3.22Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.25Å; I66-S68 VanDerWaalsContact C-N 3.3Å; I66-S68 PolarHBondContact O-N 2.86Å; I66-Q69 PolarHBondContact O-N 3.2Å; I66-I70 HydrophobicContact CG2-CD1 3.99Å; I66-I70 HydrophobicContact CG2-CG1 4.47Å; I66-I70 WeakPolarHBondContact O-CG1 3.32Å; I66-I70 PolarHBondContact O-N 3.31Å
67I92.3Very high89.4Confident1 Ų145.6 Ų45.61%0.00525%0.249CC..Hα-helixtrans-60.7-38.9173.6-69.8169.8000110.9F23 V63 L64 I70 M71 L135 V138 R139 L161 F164F23-I67 HydrophobicContact CD2-CG1 4.05Å; F23-I67 HydrophobicContact CE2-CD1 3.96Å; F23-I67 HydrophobicContact CE2-CG1 3.86Å; V63-I67 HydrophobicContact CG1-CD1 3.87Å; V63-I67 WeakPolarHBondContact O-CG1 3.42Å; V63-I67 PolarHBondContact O-N 2.84Å; L64-I67 PolarHBondContact O-N 3.34Å; I67-I70 WeakPolarHBondContact O-CB 3.17Å; I67-I70 PolarHBondContact O-N 2.89Å; I67-M71 HydrophobicContact CG2-CE 4.33Å; I67-M71 WeakPolarHBondContact O-CG 3.3Å; I67-M71 PolarHBondContact O-N 3.24Å; I67-L135 HydrophobicContact CD1-CD1 3.52Å; I67-V138 HydrophobicContact CD1-CG1 4.15Å; I67-V138 HydrophobicContact CG1-CG1 4.45Å; I67-V138 HydrophobicContact CG2-CG1 4.18Å; I67-R139 HydrophobicContact CD1-CG 4.45Å; I67-L161 HydrophobicContact CG2-CD2 4.09Å; I67-F164 HydrophobicContact CG2-CD1 4.49Å; I67-F164 HydrophobicContact CG2-CE1 4.22Å
68S90.9Very high89.5Confident42 Ų4247.9 Ų47.929%0.29427%0.265SS..Hα-helixtrans-61.2-48.8174.6-167.60000112L64 I66 I70 M71 D72L64-S68 PolarHBondContact O-N 3.28Å; I66-S68 VanDerWaalsContact C-N 3.3Å; I66-S68 PolarHBondContact O-N 2.86Å; S68-I70 PolarHBondContact O-N 3.49Å; S68-M71 CarbonylContact O-C 3.56Å; S68-M71 WeakPolarHBondContact O-CA 3.38Å; S68-M71 WeakPolarHBondContact O-CB 3.44Å; S68-M71 PolarHBondContact O-N 3.37Å; S68-D72 PolarHBondContact O-N 3.36Å; S68-D72 VanDerWaalsContact O-OD2 3.05Å
69Q91.4Very high89.6Confident85 Ų8547.4 Ų47.440%0.39725%0.251SS..Hα-helixtrans-59-37.7176.1-71.2164.279.800112L19 N65 I66 D72 E73L19-Q69 HydrophobicContact CD1-CB 3.89Å; L19-Q69 HydrophobicContact CD2-CB 3.98Å; N65-Q69 WeakPolarHBondContact O-CG 3.35Å; N65-Q69 PolarHBondContact O-N 3.13Å; N65-Q69 PolarHBondContact O-NE2 2.92Å; I66-Q69 PolarHBondContact O-N 3.2Å; Q69-D72 PolarHBondContact O-N 3.21Å; Q69-E73 PolarHBondContact O-N 3.32Å; Q69-E73 VanDerWaalsContact O-N 3.1Å
70I90.9Very high89.6Confident1 Ų147.9 Ų47.91%0.00526%0.256CS..Hα-helixtrans-64.8-39.6173.3-71.8172.2000110.8L19 L20 F23 I66 I67 S68 E73 C74 T142 Y153 M157 L161L19-I70 HydrophobicContact CB-CD1 4.28Å; L19-I70 HydrophobicContact CB-CG1 3.71Å; L19-I70 HydrophobicContact CD1-CG1 4.05Å; L19-I70 HydrophobicContact CG-CG1 4.49Å; L20-I70 HydrophobicContact CD2-CD1 4.44Å; F23-I70 HydrophobicContact CB-CD1 4.07Å; F23-I70 HydrophobicContact CG-CD1 4.46Å; I66-I70 HydrophobicContact CG2-CD1 3.99Å; I66-I70 HydrophobicContact CG2-CG1 4.47Å; I66-I70 WeakPolarHBondContact O-CG1 3.32Å; I66-I70 PolarHBondContact O-N 3.31Å; I67-I70 WeakPolarHBondContact O-CB 3.17Å; I67-I70 PolarHBondContact O-N 2.89Å; S68-I70 PolarHBondContact O-N 3.49Å; I70-E73 PolarHBondContact O-N 2.79Å; I70-C74 WeakPolarHBondContact O-CB 3.45Å; I70-C74 PolarHBondContact O-N 2.95Å; I70-C74 PolarHBondContact O-SG 2.82Å; I70-T142 HydrophobicContact CD1-CG2 3.95Å; I70-Y153 HydrophobicContact CG2-CE1 4.18Å; I70-M157 HydrophobicContact CG2-CE 3.34Å; I70-L161 HydrophobicContact CG2-CD1 3.88Å
71M91.4Very high89.5Confident7 Ų752.2 Ų52.23%0.03428%0.28CS..Hα-helixtrans-65.4-38.8173.7-68.9-170.8-6700112.4I67 S68 E73 C74 I75 L161 F164 D165I67-M71 HydrophobicContact CG2-CE 4.33Å; I67-M71 WeakPolarHBondContact O-CG 3.3Å; I67-M71 PolarHBondContact O-N 3.24Å; S68-M71 CarbonylContact O-C 3.56Å; S68-M71 WeakPolarHBondContact O-CA 3.38Å; S68-M71 WeakPolarHBondContact O-CB 3.44Å; S68-M71 PolarHBondContact O-N 3.37Å; M71-E73 VanDerWaalsContact C-N 3.29Å; M71-E73 PolarHBondContact O-N 3.31Å; M71-C74 PolarHBondContact O-N 3.28Å; M71-I75 HydrophobicContact CB-CD1 4.23Å; M71-I75 HydrophobicContact CB-CG1 4.04Å; M71-I75 HydrophobicContact CG-CD1 4.18Å; M71-I75 HydrophobicContact CG-CG1 4.43Å; M71-I75 CarbonylContact O-C 3.59Å; M71-I75 WeakPolarHBondContact O-CG1 3.46Å; M71-I75 PolarHBondContact O-N 3.14Å; M71-I75 HydrophobicContact SD-CD1 4.46Å; M71-L161 HydrophobicContact CG-CB 4.16Å; M71-L161 HydrophobicContact CG-CD1 4.45Å; M71-L161 HydrophobicContact CG-CD2 3.77Å; M71-L161 HydrophobicContact CG-CG 4.34Å; M71-L161 HydrophobicContact SD-CD2 4.4Å; M71-F164 HydrophobicContact CE-CD1 4.28Å; M71-F164 HydrophobicContact CE-CE1 4.08Å; M71-F164 HydrophobicContact SD-CD1 4Å; M71-F164 HydrophobicContact SD-CE1 4.41Å; M71-D165 HydrophobicContact SD-CB 3.8Å
72D90.2Very high89.5Confident84 Ų8453.6 Ų53.645%0.44928%0.282SS..Hα-helixtrans-63.4-33.8177.3-59-37.7000111.7S68 Q69 R79S68-D72 PolarHBondContact O-N 3.36Å; S68-D72 VanDerWaalsContact O-OD2 3.05Å; Q69-D72 PolarHBondContact O-N 3.21Å; D72-R79 IonicContact OD1-CZ 3.78Å; D72-R79 IonicContact OD1-NH1 2.66Å; D72-R79 PolarHBondContact OD1-NH1 3.19Å
73E88.7Confident89Confident115 Ų11555.4 Ų55.454%0.53729%0.292SS..Hα-helixtrans-82.6-40.2173.1-165-178.3-174.800113.2Q69 I70 M71 Y153Q69-E73 PolarHBondContact O-N 3.32Å; Q69-E73 VanDerWaalsContact O-N 3.1Å; I70-E73 PolarHBondContact O-N 2.79Å; M71-E73 VanDerWaalsContact C-N 3.29Å; M71-E73 PolarHBondContact O-N 3.31Å; E73-Y153 HydrophobicContact CB-CE2 4.42Å; E73-Y153 HydrophobicContact CG-CE2 3.98Å; E73-Y153 WeakPolarHBondContact OE2-CE2 3.2Å; E73-Y153 PolarHBondContact OE2-OH 3.5Å
74C87.5Confident88.4Confident16 Ų1656.5 Ų56.511%0.10830%0.297CS..Hα-helixtrans-78.9-40.8-172.4-71.30000114.6I70 M71 Y153 L161I70-C74 WeakPolarHBondContact O-CB 3.45Å; I70-C74 PolarHBondContact O-N 2.95Å; I70-C74 PolarHBondContact O-SG 2.82Å; M71-C74 PolarHBondContact O-N 3.28Å; C74-Y153 WeakPolarHBondContact SG-CD1 3.48Å; C74-Y153 VanDerWaalsContact SG-CD2 3.53Å; C74-L161 HydrophobicContact CB-CD1 3.94Å
75I89.3Confident87.7Confident3 Ų356.4 Ų56.42%0.01530%0.297CS..  trans-13944.4-166.357.1166.6000112.9M71 N77 D78 K158 L161 R162M71-I75 HydrophobicContact CB-CD1 4.23Å; M71-I75 HydrophobicContact CB-CG1 4.04Å; M71-I75 HydrophobicContact CG-CD1 4.18Å; M71-I75 HydrophobicContact CG-CG1 4.43Å; M71-I75 CarbonylContact O-C 3.59Å; M71-I75 WeakPolarHBondContact O-CG1 3.46Å; M71-I75 PolarHBondContact O-N 3.14Å; M71-I75 HydrophobicContact SD-CD1 4.46Å; I75-N77 PolarHBondContact O-N 3.19Å; I75-N77 VanDerWaalsContact O-N 3.11Å; I75-D78 HydrophobicContact CB-CB 4.37Å; I75-D78 PolarHBondContact O-N 3.04Å; I75-K158 HydrophobicContact CG2-CB 3.96Å; I75-K158 HydrophobicContact CG2-CG 4.23Å; I75-L161 HydrophobicContact CD1-CB 3.95Å; I75-R162 HydrophobicContact CD1-CG 3.97Å; I75-R162 HydrophobicContact CG2-CG 4.2Å
76P86.7Confident86.6Confident80 Ų8057.9 Ų57.952%0.51931%0.309SS..THydrogen-bonded Turntrans-58.2-31.3-171.722.1-34.2000114.5
77N85.9Confident85.5Confident155 Ų15561.7 Ų61.783%0.82933%0.325SS*.THydrogen-bonded Turntrans-95.1-12.4-179.5-60.7-47.1000113.8I75I75-N77 PolarHBondContact O-N 3.19Å; I75-N77 VanDerWaalsContact O-N 3.11Å
78D87.5Confident84.5Confident95 Ų9562 Ų6251%0.50833%0.327SS..SBendtrans-108.718.9-173.8-50.6-27.2000112.6I75 R162I75-D78 HydrophobicContact CB-CB 4.37Å; I75-D78 PolarHBondContact O-N 3.04Å; D78-R162 HydrophobicContact CB-CG 4.09Å; D78-R162 IonicContact OD2-NE 2.65Å
79R90.7Very high83.3Confident68 Ų6862.4 Ų62.426%0.25733%0.328SS..PPolyproline II helixtrans-66.5145.3177.2-61.6-58.2-61.2-89.73.5111.3D72 D165D72-R79 IonicContact OD1-CZ 3.78Å; D72-R79 IonicContact OD1-NH1 2.66Å; D72-R79 PolarHBondContact OD1-NH1 3.19Å; R79-D165 WeakPolarHBondContact CA-OD2 3.46Å; R79-D165 IonicContact CZ-OD1 3.46Å; R79-D165 IonicContact CZ-OD2 3.91Å; R79-D165 VanDerWaalsContact NE-CG 3.28Å; R79-D165 IonicContact NE-OD1 2.83Å; R79-D165 PolarHBondContact NE-OD1 3.48Å; R79-D165 IonicContact NE-OD2 3.19Å; R79-D165 PolarHBondContact NE-OD2 3.09Å; R79-D165 IonicContact NH2-OD1 3.69Å; R79-D165 PolarHBondContact NH2-OD1 2.98Å; R79-D165 IonicContact NH2-OD2 3.53Å
80A88.9Confident81.9Confident24 Ų2465.2 Ų65.220%0.19834%0.342CS..PPolyproline II helixtrans-66.2134.717600000110.9R82 D165 A169A80-R82 PolarHBondContact O-N 3.47Å; A80-R82 PolarHBondContact O-NH1 3.24Å; A80-D165 WeakPolarHBondContact CB-O 3.26Å; A80-D165 PolarHBondContact N-OD2 3.13Å; A80-A169 HydrophobicContact CB-CB 3.7Å
81N85.3Confident80.5Confident101 Ų10172 Ų7254%0.5437%0.373SS..PPolyproline II helixtrans-60.1132.6-179.8-179.3-70.5000111D83 F84N81-D83 PolarHBondContact ND2-OD1 3.44Å; N81-D83 PolarHBondContact ND2-OD2 3.33Å; N81-D83 WeakPolarHBondContact OD1-CB 3.43Å; N81-D83 VanDerWaalsContact OD1-CG 3.29Å; N81-D83 PolarHBondContact OD1-N 3.34Å; N81-D83 PolarHBondContact OD1-OD2 2.92Å; N81-F84 VanDerWaalsContact O-CE1 3.3Å; N81-F84 WeakPolarHBondContact O-CE1 3.46Å
82R87.1Confident79.3Confident62 Ų6272.1 Ų72.123%0.23437%0.374CS..  trans-129.227.9-178.8-74.6-180176.690-15.9112.5A80 F84 C85 D165 A169 E172A80-R82 PolarHBondContact O-N 3.47Å; A80-R82 PolarHBondContact O-NH1 3.24Å; R82-F84 HydrophobicContact CB-CE1 4.4Å; R82-F84 HydrophobicContact CB-CZ 4.36Å; R82-F84 HydrophobicContact CG-CE1 4.08Å; R82-F84 HydrophobicContact CG-CZ 3.88Å; R82-F84 PolarHBondContact O-N 2.97Å; R82-F84 VanDerWaalsContact O-N 3.12Å; R82-C85 WeakPolarHBondContact O-CB 3.47Å; R82-C85 PolarHBondContact O-N 3.23Å; R82-C85 PolarHBondContact O-SG 3.42Å; R82-C85 VanDerWaalsContact O-SG 3.39Å; R82-D165 IonicContact CZ-OD1 3.37Å; R82-D165 IonicContact CZ-OD2 2.85Å; R82-D165 IonicContact NH1-OD1 3.76Å; R82-D165 PolarHBondContact NH1-OD1 2.77Å; R82-D165 VanDerWaalsContact NH1-OD1 3.08Å; R82-D165 IonicContact NH1-OD2 3.73Å; R82-D165 PolarHBondContact NH1-OD2 3.11Å; R82-D165 IonicContact NH2-OD1 3.07Å; R82-D165 PolarHBondContact NH2-OD1 2.96Å; R82-D165 IonicContact NH2-OD2 2.96Å; R82-A169 HydrophobicContact CG-CB 4.23Å; R82-E172 IonicContact NE-OE2 2.73Å; R82-E172 PolarHBondContact NE-OE2 2.76Å
83D80.3Confident78.1Confident113 Ų11374.8 Ų74.860%0.60438%0.378SS*.G310 helixtrans-60.5-25176.9-60.6-15.2000111.3N81 C85 V86N81-D83 PolarHBondContact ND2-OD1 3.44Å; N81-D83 PolarHBondContact ND2-OD2 3.33Å; N81-D83 WeakPolarHBondContact OD1-CB 3.43Å; N81-D83 VanDerWaalsContact OD1-CG 3.29Å; N81-D83 PolarHBondContact OD1-N 3.34Å; N81-D83 PolarHBondContact OD1-OD2 2.92Å; D83-C85 PolarHBondContact O-N 2.91Å; D83-V86 WeakPolarHBondContact O-CB 3.43Å; D83-V86 WeakPolarHBondContact O-CG2 3.29Å; D83-V86 PolarHBondContact O-N 3.31Å
84F78.8Confident77Confident26 Ų2675.1 Ų75.111%0.11438%0.379CS..G310 helixtrans-60.1-25.7173.563.5-106.2000113.6N81 R82 V86 K87 F88 A169 E172 L173N81-F84 VanDerWaalsContact O-CE1 3.3Å; N81-F84 WeakPolarHBondContact O-CE1 3.46Å; R82-F84 HydrophobicContact CB-CE1 4.4Å; R82-F84 HydrophobicContact CB-CZ 4.36Å; R82-F84 HydrophobicContact CG-CE1 4.08Å; R82-F84 HydrophobicContact CG-CZ 3.88Å; R82-F84 PolarHBondContact O-N 2.97Å; R82-F84 VanDerWaalsContact O-N 3.12Å; F84-V86 PolarHBondContact O-N 3.39Å; F84-V86 VanDerWaalsContact O-N 3.14Å; F84-K87 WeakPolarHBondContact O-CB 3.49Å; F84-K87 PolarHBondContact O-N 3.13Å; F84-F88 HydrophobicContact CD2-CE1 4.1Å; F84-F88 AromaticContact CD2-CE2 3.92Å; F84-F88 HydrophobicContact CD2-CE2 3.92Å; F84-F88 AromaticContact CD2-CZ 3.45Å; F84-F88 HydrophobicContact CD2-CZ 3.45Å; F84-F88 VanDerWaalsContact CD2-CZ 3.45Å; F84-F88 AromaticContact CE2-CE2 3.93Å; F84-F88 HydrophobicContact CE2-CE2 3.93Å; F84-F88 AromaticContact CE2-CZ 3.69Å; F84-F88 HydrophobicContact CE2-CZ 3.69Å; F84-A169 HydrophobicContact CE1-CB 4.37Å; F84-A169 HydrophobicContact CZ-CB 4.3Å; F84-A169 VanDerWaalsContact CZ-O 3.25Å; F84-A169 WeakPolarHBondContact CZ-O 3.44Å; F84-E172 HydrophobicContact CE2-CB 4.43Å; F84-E172 HydrophobicContact CE2-CG 3.94Å; F84-E172 HydrophobicContact CZ-CB 4.42Å; F84-E172 HydrophobicContact CZ-CG 4.3Å; F84-L173 HydrophobicContact CB-CD1 3.87Å; F84-L173 HydrophobicContact CD1-CB 4.31Å; F84-L173 HydrophobicContact CD1-CD1 4.46Å; F84-L173 HydrophobicContact CD1-CD2 4.12Å; F84-L173 HydrophobicContact CD2-CB 4.04Å; F84-L173 HydrophobicContact CD2-CD1 3.82Å; F84-L173 HydrophobicContact CD2-CG 4.42Å; F84-L173 HydrophobicContact CE1-CB 4.12Å; F84-L173 HydrophobicContact CE2-CB 3.85Å; F84-L173 HydrophobicContact CE2-CD1 4.49Å; F84-L173 HydrophobicContact CG-CB 4.28Å; F84-L173 HydrophobicContact CG-CD1 3.81Å; F84-L173 HydrophobicContact CG-CD2 4.28Å; F84-L173 HydrophobicContact CG-CG 4.34Å; F84-L173 HydrophobicContact CZ-CB 3.9Å
85C74.6Confident75.5Confident15 Ų1582.7 Ų82.710%0.10142%0.418CS..G310 helixtrans-66.8-14.2178.7-54.70000112.6R82 D83 F88 R93 E172R82-C85 WeakPolarHBondContact O-CB 3.47Å; R82-C85 PolarHBondContact O-N 3.23Å; R82-C85 PolarHBondContact O-SG 3.42Å; R82-C85 VanDerWaalsContact O-SG 3.39Å; D83-C85 PolarHBondContact O-N 2.91Å; C85-F88 HydrophobicContact CB-CD2 4.06Å; C85-F88 HydrophobicContact CB-CE2 4.24Å; C85-F88 PolarHBondContact O-N 3.32Å; C85-R93 VanDerWaalsContact C-NH1 3.31Å; C85-R93 PolarHBondContact O-NH1 2.96Å; C85-E172 PolarHBondContact SG-OE1 3.37Å
86V69.1Low74.5Confident117 Ų11784.8 Ų84.871%0.70943%0.43SS*.G310 helixtrans-69.5-23169.9-178.30000111.7D83 F84 F88D83-V86 WeakPolarHBondContact O-CB 3.43Å; D83-V86 WeakPolarHBondContact O-CG2 3.29Å; D83-V86 PolarHBondContact O-N 3.31Å; F84-V86 PolarHBondContact O-N 3.39Å; F84-V86 VanDerWaalsContact O-N 3.14Å; V86-F88 VanDerWaalsContact C-N 3.35Å
87K67.3Low74.1Confident85 Ų8582.2 Ų82.237%0.3741%0.411SS..G310 helixtrans-85.3-7.8176.9-52.8178.4177179.80113.5F84 V182 Y188F84-K87 WeakPolarHBondContact O-CB 3.49Å; F84-K87 PolarHBondContact O-N 3.13Å; K87-V182 HydrophobicContact CB-CG1 3.84Å; K87-V182 HydrophobicContact CD-CG1 4.04Å; K87-Y188 HydrophobicContact CD-CE2 4.5Å; K87-Y188 HydrophobicContact CG-CE2 4.36Å
88F72.1Confident74Confident8 Ų877 Ų774%0.03539%0.39CS..SBendtrans-84131.7177.7-60.7-14.8000109.5F84 C85 V86 I92 E172 L173 V176 V182F84-F88 HydrophobicContact CD2-CE1 4.1Å; F84-F88 AromaticContact CD2-CE2 3.92Å; F84-F88 HydrophobicContact CD2-CE2 3.92Å; F84-F88 AromaticContact CD2-CZ 3.45Å; F84-F88 HydrophobicContact CD2-CZ 3.45Å; F84-F88 VanDerWaalsContact CD2-CZ 3.45Å; F84-F88 AromaticContact CE2-CE2 3.93Å; F84-F88 HydrophobicContact CE2-CE2 3.93Å; F84-F88 AromaticContact CE2-CZ 3.69Å; F84-F88 HydrophobicContact CE2-CZ 3.69Å; C85-F88 HydrophobicContact CB-CD2 4.06Å; C85-F88 HydrophobicContact CB-CE2 4.24Å; C85-F88 PolarHBondContact O-N 3.32Å; V86-F88 VanDerWaalsContact C-N 3.35Å; F88-I92 HydrophobicContact CB-CD1 4.38Å; F88-E172 HydrophobicContact CE2-CG 4.24Å; F88-L173 HydrophobicContact CE1-CD1 4.44Å; F88-V176 HydrophobicContact CB-CG1 4.47Å; F88-V176 HydrophobicContact CD1-CB 4.29Å; F88-V176 HydrophobicContact CD1-CG1 3.52Å; F88-V176 HydrophobicContact CD2-CB 4.39Å; F88-V176 HydrophobicContact CD2-CG1 3.89Å; F88-V176 HydrophobicContact CD2-CG2 4.4Å; F88-V176 HydrophobicContact CE1-CB 3.79Å; F88-V176 HydrophobicContact CE1-CG1 3.53Å; F88-V176 HydrophobicContact CE2-CB 3.91Å; F88-V176 HydrophobicContact CE2-CG1 3.91Å; F88-V176 HydrophobicContact CE2-CG2 3.9Å; F88-V176 HydrophobicContact CG-CG1 3.71Å; F88-V176 HydrophobicContact CZ-CB 3.57Å; F88-V176 HydrophobicContact CZ-CG1 3.72Å; F88-V176 HydrophobicContact CZ-CG2 4.04Å; F88-V182 HydrophobicContact CD1-CG2 3.98Å; F88-V182 HydrophobicContact CE1-CG2 4.09Å
89P65.1Low73.8Confident51 Ų5172.8 Ų72.833%0.33137%0.369SS..  trans-50.5146.6172-29.835.7000113.2E91 I92 V180P89-E91 WeakPolarHBondContact CB-OE2 3.39Å; P89-E91 PolarHBondContact O-N 2.83Å; P89-E91 VanDerWaalsContact O-N 3.11Å; P89-I92 HydrophobicContact CB-CG1 4.47Å; P89-I92 HydrophobicContact CG-CD1 4.44Å; P89-I92 PolarHBondContact O-N 3.05Å; P89-V180 HydrophobicContact CG-CG1 3.84Å
90E61.8Low73.4Confident144 Ų14471 Ų7167%0.67336%0.364SS*.G310 helixtrans-56.5-31.3-176.1-62.9177.8-159.100111.1I92 R93 K852E90-I92 PolarHBondContact O-N 3.37Å; E90-R93 PolarHBondContact O-N 3.26Å; E90-R93 VanDerWaalsContact O-N 3.14Å; E90-K852 IonicContact OE1-NZ 3.27Å; E90-K852 PolarHBondContact OE1-NZ 2.99Å
91E62.8Low73.4Confident142 Ų14270 Ų7066%0.66435%0.354SS*.G310 helixtrans-69.4-8.3178.2-52.789.5158.500114.9P89 H94P89-E91 WeakPolarHBondContact CB-OE2 3.39Å; P89-E91 PolarHBondContact O-N 2.83Å; P89-E91 VanDerWaalsContact O-N 3.11Å; E91-H94 PolarHBondContact O-CE1 3.11Å; E91-H94 PolarHBondContact O-ND1 3.31Å
92I65.6Low73.5Confident10 Ų1066 Ų665%0.05133%0.332CS..G310 helixtrans-93.3-27172.7-50.3-177.7000110.9F88 P89 E90 H94 L97 V176 V180 L552F88-I92 HydrophobicContact CB-CD1 4.38Å; P89-I92 HydrophobicContact CB-CG1 4.47Å; P89-I92 HydrophobicContact CG-CD1 4.44Å; P89-I92 PolarHBondContact O-N 3.05Å; E90-I92 PolarHBondContact O-N 3.37Å; I92-H94 PolarHBondContact O-N 3.06Å; I92-L97 HydrophobicContact CG2-CD1 3.9Å; I92-L97 HydrophobicContact CG2-CD2 4.16Å; I92-V176 HydrophobicContact CD1-CG1 3.69Å; I92-V176 HydrophobicContact CG2-CG1 4.27Å; I92-V176 HydrophobicContact CG2-CG2 4.43Å; I92-V180 HydrophobicContact CD1-CB 3.93Å; I92-V180 HydrophobicContact CD1-CG1 4.04Å; I92-V180 HydrophobicContact CD1-CG2 3.62Å; I92-L552 HydrophobicContact CG2-CD1 4.18Å
93R64.6Low73.4Confident141 Ų14164.1 Ų64.153%0.53233%0.326SS..  trans-80.745-168.7-61.3-178.156.9128.4-0.5113.3C85 E90C85-R93 VanDerWaalsContact C-NH1 3.31Å; C85-R93 PolarHBondContact O-NH1 2.96Å; E90-R93 PolarHBondContact O-N 3.26Å; E90-R93 VanDerWaalsContact O-N 3.14Å
94H65.6Low73.8Confident122 Ų12258.8 Ų58.857%0.56530%0.297SS*.  trans-84.9151.9178.9-74.291.9000112.7E91 I92 N96 L97E91-H94 PolarHBondContact O-CE1 3.11Å; E91-H94 PolarHBondContact O-ND1 3.31Å; I92-H94 PolarHBondContact O-N 3.06Å; H94-N96 PolarHBondContact O-N 2.93Å; H94-L97 PolarHBondContact O-N 3.3Å
95D56.3Low74.3Confident174 Ų17457.6 Ų57.693%0.9329%0.292SS*.THydrogen-bonded Turntrans-57.3-6.4-176.3-57.4-27.2000116.5
96N68.1Low74.9Confident48 Ų4858.2 Ų58.226%0.25729%0.293SS..THydrogen-bonded Turntrans-128.935.1173.3-159.98.7000113.8D61 H94 A98 G99 Q100D61-N96 PolarHBondContact OD2-ND2 2.86Å; H94-N96 PolarHBondContact O-N 2.93Å; N96-A98 VanDerWaalsContact C-N 3.29Å; N96-G99 WeakPolarHBondContact OD1-CA 3.46Å; N96-G99 PolarHBondContact OD1-N 3.12Å; N96-Q100 WeakPolarHBondContact O-CG 3.38Å; N96-Q100 PolarHBondContact O-N 2.96Å
97L79.7Confident75.9Confident26 Ų2652.9 Ų52.914%0.13626%0.261CS..Hα-helixtrans-63-37.3170.3-177.761000111.5I92 H94 G99 Q100 L101 L552I92-L97 HydrophobicContact CG2-CD1 3.9Å; I92-L97 HydrophobicContact CG2-CD2 4.16Å; H94-L97 PolarHBondContact O-N 3.3Å; L97-G99 PolarHBondContact O-N 2.91Å; L97-Q100 PolarHBondContact O-N 2.95Å; L97-L101 HydrophobicContact CD1-CD1 4.32Å; L97-L101 HydrophobicContact CD1-CG 4.18Å; L97-L101 HydrophobicContact CD2-CD1 4.43Å; L97-L101 HydrophobicContact CG-CD1 3.86Å; L97-L101 HydrophobicContact CG-CG 4.2Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 3.45Å; L97-L552 HydrophobicContact CD1-CD1 4.5Å
98A82.4Confident76.9Confident45 Ų4549 Ų4937%0.37225%0.245SC..Hα-helixtrans-62.5-44.3-177.700000113.4N96 L101 W102 F168N96-A98 VanDerWaalsContact C-N 3.29Å; A98-L101 PolarHBondContact O-N 2.98Å; A98-W102 WeakPolarHBondContact O-CB 3.36Å; A98-W102 PolarHBondContact O-N 3.26Å; A98-F168 HydrophobicContact CB-CZ 4.2Å
99G83.6Confident77.8Confident7 Ų749.6 Ų49.67%0.07225%0.25CS..Hα-helixtrans-66.2-36.7175.200000113D61 N96 L97 W102 F103D61-G99 VanDerWaalsContact OD1-CA 3.25Å; D61-G99 WeakPolarHBondContact OD1-CA 3.36Å; N96-G99 WeakPolarHBondContact OD1-CA 3.46Å; N96-G99 PolarHBondContact OD1-N 3.12Å; L97-G99 PolarHBondContact O-N 2.91Å; G99-W102 PolarHBondContact O-N 3.33Å; G99-F103 WeakPolarHBondContact O-CB 3.36Å; G99-F103 PolarHBondContact O-N 3.44Å
100Q83.3Confident78.8Confident31 Ų3149.6 Ų49.615%0.14526%0.255CS..Hα-helixtrans-66.6-42.1175-69.7175.915.500112.6N96 L97 G104 M550N96-Q100 WeakPolarHBondContact O-CG 3.38Å; N96-Q100 PolarHBondContact O-N 2.96Å; L97-Q100 PolarHBondContact O-N 2.95Å; Q100-G104 PolarHBondContact O-N 2.91Å; Q100-M550 VanDerWaalsContact NE2-CE 3.27Å; Q100-M550 PolarHBondContact NE2-SD 3.04Å; Q100-M550 VanDerWaalsContact NE2-SD 3.4Å
101L88.1Confident80Confident1 Ų144.2 Ų44.21%0.00524%0.238CC..Hα-helixtrans-63.1-44.2174.1-72.1169000111.1L97 A98 G104 A105 F168 F171 E172 Y175 V176L97-L101 HydrophobicContact CD1-CD1 4.32Å; L97-L101 HydrophobicContact CD1-CG 4.18Å; L97-L101 HydrophobicContact CD2-CD1 4.43Å; L97-L101 HydrophobicContact CG-CD1 3.86Å; L97-L101 HydrophobicContact CG-CG 4.2Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 3.45Å; A98-L101 PolarHBondContact O-N 2.98Å; L101-G104 PolarHBondContact O-N 3.27Å; L101-A105 PolarHBondContact O-N 3.24Å; L101-F168 HydrophobicContact CB-CZ 4.05Å; L101-F168 HydrophobicContact CD1-CE1 3.91Å; L101-F168 HydrophobicContact CD1-CZ 4.21Å; L101-F171 HydrophobicContact CB-CE1 4.43Å; L101-F171 HydrophobicContact CD2-CE1 4.33Å; L101-F171 VanDerWaalsContact O-CE1 3.31Å; L101-F171 WeakPolarHBondContact O-CE1 3.35Å; L101-E172 HydrophobicContact CD1-CB 3.93Å; L101-E172 HydrophobicContact CD1-CG 3.71Å; L101-Y175 HydrophobicContact CD2-CD1 3.52Å; L101-Y175 HydrophobicContact CD2-CE1 4.18Å; L101-Y175 HydrophobicContact CD2-CG 4.02Å; L101-V176 HydrophobicContact CD2-CG2 4.34Å
102W86.7Confident81.1Confident18 Ų1838.1 Ų38.17%0.06821%0.211CC..Hα-helixtrans-59.7-49.6176.2175.1-103.8000112.3Q60 L64 A98 G99 G104 A105 E106 T132 L135Q60-W102 VanDerWaalsContact NE2-NE1 3.16Å; L64-W102 HydrophobicContact CD1-CB 3.61Å; L64-W102 HydrophobicContact CD1-CD2 4.48Å; L64-W102 HydrophobicContact CD1-CG 3.73Å; A98-W102 WeakPolarHBondContact O-CB 3.36Å; A98-W102 PolarHBondContact O-N 3.26Å; G99-W102 PolarHBondContact O-N 3.33Å; W102-G104 VanDerWaalsContact C-N 3.28Å; W102-G104 PolarHBondContact O-N 3.03Å; W102-A105 WeakPolarHBondContact O-CB 3.35Å; W102-A105 PolarHBondContact O-N 3.33Å; W102-E106 HydrophobicContact CD2-CG 4.38Å; W102-E106 VanDerWaalsContact CE2-OE1 3.3Å; W102-E106 HydrophobicContact CH2-CG 4.48Å; W102-E106 HydrophobicContact CZ2-CG 3.69Å; W102-E106 VanDerWaalsContact CZ2-OE1 3.28Å; W102-E106 WeakPolarHBondContact CZ2-OE1 3.21Å; W102-E106 PolarHBondContact NE1-OE1 3.43Å; W102-E106 PolarHBondContact NE1-OE2 3.14Å; W102-E106 PolarHBondContact O-N 3.19Å; W102-T132 HydrophobicContact CH2-CG2 3.64Å; W102-T132 HydrophobicContact CZ2-CG2 4.33Å; W102-T132 HydrophobicContact CZ3-CG2 3.84Å; W102-L135 HydrophobicContact CD2-CD2 3.97Å; W102-L135 HydrophobicContact CE3-CD2 3.75Å; W102-L135 HydrophobicContact CH2-CB 3.77Å; W102-L135 HydrophobicContact CH2-CD2 3.33Å; W102-L135 HydrophobicContact CH2-CG 4.13Å; W102-L135 HydrophobicContact CZ2-CD2 3.58Å; W102-L135 HydrophobicContact CZ3-CB 3.72Å; W102-L135 HydrophobicContact CZ3-CD2 3.42Å; W102-L135 VanDerWaalsContact CZ3-CD2 3.42Å; W102-L135 HydrophobicContact CZ3-CG 4.18Å
103F86.3Confident81.9Confident23 Ų2338.8 Ų38.810%0.10122%0.215CC..Hα-helixtrans-60-38.3175.4177.2-105.7000112.1G99 E106 C107 F558 L595G99-F103 WeakPolarHBondContact O-CB 3.36Å; G99-F103 PolarHBondContact O-N 3.44Å; F103-E106 PolarHBondContact O-N 2.84Å; F103-C107 WeakPolarHBondContact CZ-SG 3.35Å; F103-C107 WeakPolarHBondContact O-CB 3.28Å; F103-C107 PolarHBondContact O-N 2.91Å; F103-C107 PolarHBondContact O-SG 3.35Å; F103-F558 HydrophobicContact CZ-CZ 4.08Å; F103-L595 HydrophobicContact CE2-CD2 4.26Å
104G87.8Confident82.8Confident1 Ų132.1 Ų32.11%0.0119%0.189CC..Hα-helixtrans-60.8-41.417200000113.2Q100 L101 W102 C107 L108Q100-G104 PolarHBondContact O-N 2.91Å; L101-G104 PolarHBondContact O-N 3.27Å; W102-G104 VanDerWaalsContact C-N 3.28Å; W102-G104 PolarHBondContact O-N 3.03Å; G104-C107 PolarHBondContact O-N 3.1Å; G104-L108 WeakPolarHBondContact O-CB 3.33Å; G104-L108 WeakPolarHBondContact O-CG 3.5Å; G104-L108 PolarHBondContact O-N 3.19Å
105A90.2Very high83.3Confident0 Ų029.9 Ų29.90%018%0.18CC..Hα-helixtrans-66-44.9175.800000112L101 W102 C107 L108 A109 A128 L131 T132 F171L101-A105 PolarHBondContact O-N 3.24Å; W102-A105 WeakPolarHBondContact O-CB 3.35Å; W102-A105 PolarHBondContact O-N 3.33Å; A105-C107 PolarHBondContact O-N 2.9Å; A105-L108 PolarHBondContact O-N 3.43Å; A105-A109 WeakPolarHBondContact O-CB 3.34Å; A105-A109 PolarHBondContact O-N 2.96Å; A105-A128 HydrophobicContact CB-CB 4.43Å; A105-L131 HydrophobicContact CB-CD2 4.15Å; A105-T132 HydrophobicContact CB-CG2 4.25Å; A105-F171 HydrophobicContact CB-CD1 4.35Å; A105-F171 HydrophobicContact CB-CE1 3.83Å; A105-F171 HydrophobicContact CB-CE2 4.14Å; A105-F171 HydrophobicContact CB-CZ 3.7Å
106E87.3Confident84.2Confident29 Ų2928.3 Ų28.314%0.13617%0.172CC..Hα-helixtrans-57.5-48.2173.5-71.1-176.2147.700111.3Q60 W102 F103 L108 A109 A110 T132Q60-E106 PolarHBondContact NE2-OE1 3.32Å; Q60-E106 PolarHBondContact NE2-OE2 2.67Å; W102-E106 HydrophobicContact CD2-CG 4.38Å; W102-E106 VanDerWaalsContact CE2-OE1 3.3Å; W102-E106 HydrophobicContact CH2-CG 4.48Å; W102-E106 HydrophobicContact CZ2-CG 3.69Å; W102-E106 VanDerWaalsContact CZ2-OE1 3.28Å; W102-E106 WeakPolarHBondContact CZ2-OE1 3.21Å; W102-E106 PolarHBondContact NE1-OE1 3.43Å; W102-E106 PolarHBondContact NE1-OE2 3.14Å; W102-E106 PolarHBondContact O-N 3.19Å; F103-E106 PolarHBondContact O-N 2.84Å; E106-L108 PolarHBondContact O-N 3.29Å; E106-A109 PolarHBondContact O-N 3.34Å; E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.91Å; E106-T132 HydrophobicContact CG-CG2 4.32Å
107C88.4Confident84.9Confident5 Ų530.3 Ų30.33%0.03418%0.176CC..Hα-helixtrans-60.9-46.1177.9-70.40000112.6F103 G104 A105 A110 G111 S112 V556F103-C107 WeakPolarHBondContact CZ-SG 3.35Å; F103-C107 WeakPolarHBondContact O-CB 3.28Å; F103-C107 PolarHBondContact O-N 2.91Å; F103-C107 PolarHBondContact O-SG 3.35Å; G104-C107 PolarHBondContact O-N 3.1Å; A105-C107 PolarHBondContact O-N 2.9Å; C107-A110 PolarHBondContact O-N 3.34Å; C107-G111 PolarHBondContact O-N 2.93Å; C107-S112 WeakPolarHBondContact O-CB 3.44Å; C107-S112 PolarHBondContact O-N 3.11Å; C107-S112 PolarHBondContact O-OG 3.45Å; C107-V556 HydrophobicContact CB-CG1 4.09Å
108L89.7Confident85.3Confident4 Ų433.1 Ų33.12%0.02119%0.188CC..Hα-helixtrans-67.7-36.8178.2-74.1170.5000112.4G104 A105 E106 G111 I114 M124 A128 F171 Y175G104-L108 WeakPolarHBondContact O-CB 3.33Å; G104-L108 WeakPolarHBondContact O-CG 3.5Å; G104-L108 PolarHBondContact O-N 3.19Å; A105-L108 PolarHBondContact O-N 3.43Å; E106-L108 PolarHBondContact O-N 3.29Å; L108-G111 PolarHBondContact O-N 3.19Å; L108-G111 VanDerWaalsContact O-N 3.08Å; L108-I114 HydrophobicContact CD1-CD1 4.48Å; L108-I114 HydrophobicContact CD2-CG1 4.35Å; L108-M124 HydrophobicContact CD1-CB 4.12Å; L108-M124 HydrophobicContact CD1-CE 4.5Å; L108-M124 HydrophobicContact CD1-SD 4.48Å; L108-A128 HydrophobicContact CB-CB 3.82Å; L108-F171 HydrophobicContact CD1-CE2 3.86Å; L108-F171 HydrophobicContact CD1-CZ 3.94Å; L108-Y175 HydrophobicContact CD1-CD2 3.96Å; L108-Y175 HydrophobicContact CD1-CE2 4.02Å
109A90.8Very high85.5Confident19 Ų1937.6 Ų37.616%0.15721%0.205CC..Hα-helixtrans-65.8-40175.700000111.9A105 E106 G111 A128 K129 T132A105-A109 WeakPolarHBondContact O-CB 3.34Å; A105-A109 PolarHBondContact O-N 2.96Å; E106-A109 PolarHBondContact O-N 3.34Å; A109-G111 PolarHBondContact O-N 3.5Å; A109-A128 HydrophobicContact CB-CB 4.34Å; A109-K129 HydrophobicContact CB-CG 3.8Å; A109-K129 WeakPolarHBondContact O-CE 3.49Å; A109-T132 HydrophobicContact CB-CG2 4.14Å
110A86.9Confident85.6Confident52 Ų5240.1 Ų40.143%0.4322%0.215SC..THydrogen-bonded Turntrans-67.2-11.5171.400000113.7E106 C107 C594E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.91Å; C107-A110 PolarHBondContact O-N 3.34Å; A110-C594 HydrophobicContact CB-CB 3.86Å
111G85.6Confident85.9Confident31 Ų3138.7 Ų38.732%0.3221%0.208SC..THydrogen-bonded Turntrans102.211174.700000115.5C107 L108 A109 R125C107-G111 PolarHBondContact O-N 2.93Å; L108-G111 PolarHBondContact O-N 3.19Å; L108-G111 VanDerWaalsContact O-N 3.08Å; A109-G111 PolarHBondContact O-N 3.5Å; G111-R125 PolarHBondContact O-NH1 2.73Å
112S85.6Confident85.8Confident14 Ų1443.4 Ų43.410%0.09823%0.232CC..  trans-62.8168.9173.5-41.40000112.1C107C107-S112 WeakPolarHBondContact O-CB 3.44Å; C107-S112 PolarHBondContact O-N 3.11Å; C107-S112 PolarHBondContact O-OG 3.45Å
113I83.2Confident86.1Confident23 Ų2346.1 Ų46.112%0.11826%0.258CS..  trans-124.8147.2-179.5-73.9169.3000108.8E118I113-E118 HydrophobicContact CG2-CG 3.99Å
114I83.3Confident86.4Confident1 Ų145.1 Ų45.11%0.00525%0.254CS..  trans-90.9126.8165.9-56.7170.5000106.5L108 R117 M124 Y175 M179 T555L108-I114 HydrophobicContact CD1-CD1 4.48Å; L108-I114 HydrophobicContact CD2-CG1 4.35Å; I114-R117 HydrophobicContact CB-CB 3.99Å; I114-R117 HydrophobicContact CG2-CB 3.89Å; I114-R117 HydrophobicContact CG2-CG 4.22Å; I114-R117 CarbonylContact O-C 3.46Å; I114-R117 PolarHBondContact O-N 2.95Å; I114-M124 HydrophobicContact CD1-CE 3.75Å; I114-Y175 HydrophobicContact CD1-CD2 4.23Å; I114-Y175 HydrophobicContact CD1-CE2 3.99Å; I114-M179 HydrophobicContact CD1-CE 4.19Å; I114-M179 HydrophobicContact CG1-CE 4.47Å; I114-M179 HydrophobicContact CG2-CE 4.18Å; I114-T555 HydrophobicContact CG2-CG2 4.02Å
115M76.1Confident86.6Confident76 Ų7647.6 Ų47.637%0.37426%0.263SS..THydrogen-bonded Turntrans-59.6138.8-176.2-63.1-166.8-56.500112.2R117 I557M115-R117 PolarHBondContact O-N 3.21Å; M115-R117 VanDerWaalsContact O-N 3.15Å; M115-I557 HydrophobicContact CE-CB 4.29Å; M115-I557 HydrophobicContact CE-CD1 3.41Å; M115-I557 VanDerWaalsContact CE-CD1 3.41Å; M115-I557 HydrophobicContact CE-CG1 3.68Å; M115-I557 HydrophobicContact CG-CB 3.94Å; M115-I557 HydrophobicContact CG-CG1 4.28Å; M115-I557 HydrophobicContact SD-CB 3.66Å; M115-I557 HydrophobicContact SD-CD1 3.66Å; M115-I557 HydrophobicContact SD-CG1 3.74Å; M115-I557 HydrophobicContact SD-CG2 4.35Å
116N75.5Confident86.8Confident140 Ų14051.3 Ų51.375%0.74929%0.287SS*.THydrogen-bonded Turntrans60.619178.1-43.6-50.1000112.9E118N116-E118 VanDerWaalsContact C-OE2 3.29Å; N116-E118 WeakPolarHBondContact CA-OE2 3.43Å; N116-E118 PolarHBondContact N-OE1 3.42Å
117R83.4Confident87.2Confident90 Ų9051 Ų5134%0.3429%0.286SS..  trans-143.236.4-175.7-69.1-62.1-167.4-176.11.7109.9I114 M115 I119 E120 S121 A178I114-R117 HydrophobicContact CB-CB 3.99Å; I114-R117 HydrophobicContact CG2-CB 3.89Å; I114-R117 HydrophobicContact CG2-CG 4.22Å; I114-R117 CarbonylContact O-C 3.46Å; I114-R117 PolarHBondContact O-N 2.95Å; M115-R117 PolarHBondContact O-N 3.21Å; M115-R117 VanDerWaalsContact O-N 3.15Å; R117-I119 VanDerWaalsContact C-N 3.33Å; R117-I119 PolarHBondContact O-N 2.87Å; R117-E120 VanDerWaalsContact C-OE2 3.31Å; R117-E120 WeakPolarHBondContact CA-OE2 3.47Å; R117-E120 WeakPolarHBondContact CD-OE1 3.3Å; R117-E120 IonicContact CZ-OE1 3.87Å; R117-E120 IonicContact NE-OE1 3.17Å; R117-E120 IonicContact NH1-OE1 3.34Å; R117-E120 PolarHBondContact NH1-OE1 3.39Å; R117-E120 PolarHBondContact O-N 2.99Å; R117-S121 VanDerWaalsContact O-CB 3.26Å; R117-S121 WeakPolarHBondContact O-CB 3.37Å; R117-S121 PolarHBondContact O-N 2.86Å; R117-S121 PolarHBondContact O-OG 2.91Å; R117-A178 VanDerWaalsContact CZ-O 3.29Å; R117-A178 PolarHBondContact NE-O 2.73Å; R117-A178 PolarHBondContact NH2-O 3.45Å
118E86.4Confident87.5Confident86 Ų8650.7 Ų50.740%0.40228%0.284SS..Hα-helixtrans-60.5-43.7-171.2-70.962.5-141.500111I113 N116 S121 I122I113-E118 HydrophobicContact CG2-CG 3.99Å; N116-E118 VanDerWaalsContact C-OE2 3.29Å; N116-E118 WeakPolarHBondContact CA-OE2 3.43Å; N116-E118 PolarHBondContact N-OE1 3.42Å; E118-S121 PolarHBondContact O-N 3.24Å; E118-S121 PolarHBondContact O-OG 3.02Å; E118-I122 WeakPolarHBondContact O-CD1 3.28Å; E118-I122 VanDerWaalsContact O-CG1 3.22Å; E118-I122 WeakPolarHBondContact O-CG1 3.29Å; E118-I122 PolarHBondContact O-N 3.28Å
119I87.5Confident87.7Confident139 Ų13955.4 Ų55.471%0.71330%0.304SS*.Hα-helixtrans-66-48.9-177.8-58.5176.3000110.3R117 S121 I122 A123R117-I119 VanDerWaalsContact C-N 3.33Å; R117-I119 PolarHBondContact O-N 2.87Å; I119-S121 VanDerWaalsContact C-N 3.35Å; I119-S121 PolarHBondContact O-N 3.4Å; I119-I122 PolarHBondContact O-N 3.32Å; I119-A123 PolarHBondContact O-N 2.94Å
120E86.7Confident88Confident60 Ų6057.6 Ų57.628%0.2831%0.313SS..Hα-helixtrans-62.3-42.8177.1-57.793.8137.900110.7R117 I122 A123 M124 A178R117-E120 VanDerWaalsContact C-OE2 3.31Å; R117-E120 WeakPolarHBondContact CA-OE2 3.47Å; R117-E120 WeakPolarHBondContact CD-OE1 3.3Å; R117-E120 IonicContact CZ-OE1 3.87Å; R117-E120 IonicContact NE-OE1 3.17Å; R117-E120 IonicContact NH1-OE1 3.34Å; R117-E120 PolarHBondContact NH1-OE1 3.39Å; R117-E120 PolarHBondContact O-N 2.99Å; E120-I122 VanDerWaalsContact C-N 3.29Å; E120-I122 PolarHBondContact O-N 3.4Å; E120-A123 PolarHBondContact O-N 3.47Å; E120-M124 HydrophobicContact CB-CE 4.22Å; E120-M124 WeakPolarHBondContact O-CE 3.29Å; E120-M124 WeakPolarHBondContact O-CG 3.49Å; E120-M124 PolarHBondContact O-N 3.41Å; E120-A178 HydrophobicContact CB-CB 4.02Å; E120-A178 HydrophobicContact CG-CB 4.41Å
121S87.9Confident88.4Confident0 Ų055.1 Ų55.10%029%0.293CS..Hα-helixtrans-63.1-33.7176.383.30000112.8R117 E118 I119 R125R117-S121 VanDerWaalsContact O-CB 3.26Å; R117-S121 WeakPolarHBondContact O-CB 3.37Å; R117-S121 PolarHBondContact O-N 2.86Å; R117-S121 PolarHBondContact O-OG 2.91Å; E118-S121 PolarHBondContact O-N 3.24Å; E118-S121 PolarHBondContact O-OG 3.02Å; I119-S121 VanDerWaalsContact C-N 3.35Å; I119-S121 PolarHBondContact O-N 3.4Å; S121-R125 WeakPolarHBondContact O-CG 3.2Å; S121-R125 PolarHBondContact O-NE 2.9Å
122I87.5Confident88.8Confident101 Ų10155.1 Ų55.152%0.51829%0.287SS..Hα-helixtrans-72.8-43.8175.7-71.6163.8000110.2E118 I119 E120 M124 R125E118-I122 WeakPolarHBondContact O-CD1 3.28Å; E118-I122 VanDerWaalsContact O-CG1 3.22Å; E118-I122 WeakPolarHBondContact O-CG1 3.29Å; E118-I122 PolarHBondContact O-N 3.28Å; I119-I122 PolarHBondContact O-N 3.32Å; E120-I122 VanDerWaalsContact C-N 3.29Å; E120-I122 PolarHBondContact O-N 3.4Å; I122-M124 VanDerWaalsContact C-N 3.29Å; I122-M124 PolarHBondContact O-N 2.99Å; I122-R125 PolarHBondContact O-N 3.48Å
123A91.2Very high89.3Confident74 Ų7461.6 Ų61.661%0.61231%0.309SS*.Hα-helixtrans-61.6-35.1177.400000112.8I119 E120 P126I119-A123 PolarHBondContact O-N 2.94Å; E120-A123 PolarHBondContact O-N 3.47Å; A123-P126 WeakPolarHBondContact O-CD 3.43Å
124M92.8Very high89.9Confident2 Ų260.9 Ų60.91%0.0131%0.306CS..Hα-helixtrans-78-17179.7-74.6-173.5-79.700115.3L108 I114 E120 I122 L127 A128 S174 Y175 A178L108-M124 HydrophobicContact CD1-CB 4.12Å; L108-M124 HydrophobicContact CD1-CE 4.5Å; L108-M124 HydrophobicContact CD1-SD 4.48Å; I114-M124 HydrophobicContact CD1-CE 3.75Å; E120-M124 HydrophobicContact CB-CE 4.22Å; E120-M124 WeakPolarHBondContact O-CE 3.29Å; E120-M124 WeakPolarHBondContact O-CG 3.49Å; E120-M124 PolarHBondContact O-N 3.41Å; I122-M124 VanDerWaalsContact C-N 3.29Å; I122-M124 PolarHBondContact O-N 2.99Å; M124-L127 PolarHBondContact O-N 3.42Å; M124-A128 WeakPolarHBondContact O-CB 3.42Å; M124-A128 PolarHBondContact O-N 3.4Å; M124-S174 WeakPolarHBondContact CG-OG 3.47Å; M124-Y175 VanDerWaalsContact SD-CA 3.59Å; M124-Y175 HydrophobicContact SD-CD2 4.31Å; M124-A178 HydrophobicContact CE-CB 3.74Å
125R92.9Very high90.4Very high54 Ų5461.2 Ų61.220%0.20431%0.308CS..Hα-helixtrans-63.2-37.4-173.1-47.7-166-165.1-175.24115.3G111 S121 I122 A128 K129G111-R125 PolarHBondContact O-NH1 2.73Å; S121-R125 WeakPolarHBondContact O-CG 3.2Å; S121-R125 PolarHBondContact O-NE 2.9Å; I122-R125 PolarHBondContact O-N 3.48Å; R125-A128 PolarHBondContact O-N 3.48Å; R125-K129 WeakPolarHBondContact O-CB 3.25Å; R125-K129 VanDerWaalsContact O-CG 3.28Å; R125-K129 WeakPolarHBondContact O-CG 3.48Å; R125-K129 PolarHBondContact O-N 3.17Å
126P95.3Very high91.2Very high77 Ų7759.5 Ų59.550%0.530%0.299SS..Hα-helixtrans-60.9-49.9174.8-22.634.6000111A123 A128 K129 D130A123-P126 WeakPolarHBondContact O-CD 3.43Å; P126-A128 VanDerWaalsContact C-N 3.35Å; P126-A128 PolarHBondContact O-N 2.96Å; P126-K129 WeakPolarHBondContact O-CB 3.4Å; P126-K129 PolarHBondContact O-N 2.82Å; P126-D130 PolarHBondContact O-N 3.07Å
127L95.3Very high92.1Very high22 Ų2257.2 Ų57.212%0.11528%0.284CS..Hα-helixtrans-58.4-44.1177.318059.4000111.9M124 K129 D130 L131 L167 E170 F171M124-L127 PolarHBondContact O-N 3.42Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 2.98Å; L127-D130 PolarHBondContact O-N 3.26Å; L127-L131 VanDerWaalsContact O-CB 3.26Å; L127-L131 WeakPolarHBondContact O-CB 3.27Å; L127-L131 PolarHBondContact O-N 2.92Å; L127-L167 HydrophobicContact CD1-CD2 3.81Å; L127-E170 HydrophobicContact CD1-CB 4.25Å; L127-E170 HydrophobicContact CD1-CG 4.25Å; L127-E170 HydrophobicContact CD2-CB 4.26Å; L127-E170 HydrophobicContact CD2-CG 3.85Å; L127-F171 HydrophobicContact CD2-CB 4.11Å; L127-F171 HydrophobicContact CD2-CD2 4.4Å; L127-F171 HydrophobicContact CG-CB 4.14Å; L127-F171 HydrophobicContact CG-CD2 4.27Å
128A93.9Very high92.6Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-61.1-37.7173.900000113.2A105 L108 A109 M124 R125 P126 T132 F171A105-A128 HydrophobicContact CB-CB 4.43Å; L108-A128 HydrophobicContact CB-CB 3.82Å; A109-A128 HydrophobicContact CB-CB 4.34Å; M124-A128 WeakPolarHBondContact O-CB 3.42Å; M124-A128 PolarHBondContact O-N 3.4Å; R125-A128 PolarHBondContact O-N 3.48Å; P126-A128 VanDerWaalsContact C-N 3.35Å; P126-A128 PolarHBondContact O-N 2.96Å; A128-T132 WeakPolarHBondContact O-CB 3.47Å; A128-T132 VanDerWaalsContact O-CG2 3.26Å; A128-T132 WeakPolarHBondContact O-CG2 3.36Å; A128-T132 PolarHBondContact O-N 3.05Å; A128-T132 PolarHBondContact O-OG1 3.12Å; A128-F171 HydrophobicContact CB-CD2 4.39Å; A128-F171 HydrophobicContact CB-CE2 3.93Å
129K94.4Very high93Very high102 Ų10249.6 Ų49.644%0.44325%0.251SS..Hα-helixtrans-74.8-27.7177.9-76.4177.4177.1-174.80114A109 R125 P126 L127 T132 R133A109-K129 HydrophobicContact CB-CG 3.8Å; A109-K129 WeakPolarHBondContact O-CE 3.49Å; R125-K129 WeakPolarHBondContact O-CB 3.25Å; R125-K129 VanDerWaalsContact O-CG 3.28Å; R125-K129 WeakPolarHBondContact O-CG 3.48Å; R125-K129 PolarHBondContact O-N 3.17Å; P126-K129 WeakPolarHBondContact O-CB 3.4Å; P126-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 2.98Å; K129-T132 WeakPolarHBondContact CA-OG1 3.42Å; K129-T132 PolarHBondContact O-OG1 3.19Å; K129-R133 WeakPolarHBondContact O-CB 3.29Å; K129-R133 PolarHBondContact O-N 3.5Å; K129-R133 PolarHBondContact O-NH2 3.49Å
130D96.5Very high93.2Very high65 Ų6545.5 Ų45.535%0.34824%0.235SC..Hα-helixtrans-83.7-38.9175.6-68.5-31.9000110.6P126 L127 R133 S134 L167P126-D130 PolarHBondContact O-N 3.07Å; L127-D130 PolarHBondContact O-N 3.26Å; D130-R133 PolarHBondContact O-N 3.38Å; D130-R133 IonicContact OD1-CZ 2.76Å; D130-R133 IonicContact OD1-NH1 2.72Å; D130-R133 PolarHBondContact OD1-NH1 2.88Å; D130-R133 IonicContact OD1-NH2 3.35Å; D130-R133 PolarHBondContact OD1-NH2 3.13Å; D130-S134 VanDerWaalsContact O-CB 3.3Å; D130-S134 WeakPolarHBondContact O-CB 3.21Å; D130-S134 PolarHBondContact O-N 3.26Å; D130-L167 HydrophobicContact CB-CD1 4.5Å
131L95.7Very high93.5Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-60.2-48.7171.1177.758.1000112.5A105 L127 R133 S134 L135 F164 L167 F168 F171A105-L131 HydrophobicContact CB-CD2 4.15Å; L127-L131 VanDerWaalsContact O-CB 3.26Å; L127-L131 WeakPolarHBondContact O-CB 3.27Å; L127-L131 PolarHBondContact O-N 2.92Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 2.88Å; L131-S134 PolarHBondContact O-N 3.24Å; L131-L135 PolarHBondContact O-N 3.41Å; L131-F164 HydrophobicContact CD1-CD2 3.74Å; L131-F164 HydrophobicContact CD1-CE2 3.59Å; L131-L167 HydrophobicContact CB-CB 4.31Å; L131-L167 HydrophobicContact CD1-CB 3.89Å; L131-F168 HydrophobicContact CD1-CB 3.95Å; L131-F168 HydrophobicContact CD1-CD2 4.11Å; L131-F168 HydrophobicContact CD1-CG 4.5Å; L131-F168 HydrophobicContact CD2-CD2 4.23Å; L131-F171 HydrophobicContact CD2-CB 3.67Å; L131-F171 HydrophobicContact CD2-CD1 3.91Å; L131-F171 HydrophobicContact CD2-CD2 4.46Å; L131-F171 HydrophobicContact CD2-CG 3.74Å
132T93.3Very high93.6Very high31 Ų3143 Ų4319%0.1922%0.224CC..Hα-helixtrans-63.5-37.3179.446.70000112.4W102 A105 E106 A109 A128 K129 E136W102-T132 HydrophobicContact CH2-CG2 3.64Å; W102-T132 HydrophobicContact CZ2-CG2 4.33Å; W102-T132 HydrophobicContact CZ3-CG2 3.84Å; A105-T132 HydrophobicContact CB-CG2 4.25Å; E106-T132 HydrophobicContact CG-CG2 4.32Å; A109-T132 HydrophobicContact CB-CG2 4.14Å; A128-T132 WeakPolarHBondContact O-CB 3.47Å; A128-T132 VanDerWaalsContact O-CG2 3.26Å; A128-T132 WeakPolarHBondContact O-CG2 3.36Å; A128-T132 PolarHBondContact O-N 3.05Å; A128-T132 PolarHBondContact O-OG1 3.12Å; K129-T132 WeakPolarHBondContact CA-OG1 3.42Å; K129-T132 PolarHBondContact O-OG1 3.19Å; T132-E136 PolarHBondContact O-N 3.31Å
133R95.7Very high93.8Very high150 Ų15040.7 Ų40.757%0.56621%0.208SC*.Hα-helixtrans-67.3-41.3172.1-167.6-170.9-46118.528.1112.5K129 D130 L131 L135 E136 E137K129-R133 WeakPolarHBondContact O-CB 3.29Å; K129-R133 PolarHBondContact O-N 3.5Å; K129-R133 PolarHBondContact O-NH2 3.49Å; D130-R133 PolarHBondContact O-N 3.38Å; D130-R133 IonicContact OD1-CZ 2.76Å; D130-R133 IonicContact OD1-NH1 2.72Å; D130-R133 PolarHBondContact OD1-NH1 2.88Å; D130-R133 IonicContact OD1-NH2 3.35Å; D130-R133 PolarHBondContact OD1-NH2 3.13Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 2.88Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 3.32Å; R133-E136 PolarHBondContact O-N 2.97Å; R133-E137 PolarHBondContact O-N 3.2Å
134S96.4Very high93.6Very high8 Ų840.2 Ų40.26%0.05620%0.195CC..Hα-helixtrans-64.2-37.2179.5-176.90000111.7D130 L131 E137 V138 F164D130-S134 VanDerWaalsContact O-CB 3.3Å; D130-S134 WeakPolarHBondContact O-CB 3.21Å; D130-S134 PolarHBondContact O-N 3.26Å; L131-S134 PolarHBondContact O-N 3.24Å; S134-E137 PolarHBondContact O-N 3.2Å; S134-V138 WeakPolarHBondContact O-CG2 3.31Å; S134-V138 PolarHBondContact O-N 2.9Å; S134-F164 WeakPolarHBondContact OG-CA 3.08Å; S134-F164 WeakPolarHBondContact OG-CB 3.47Å; S134-F164 PolarHBondContact OG-N 3.46Å
135L93.3Very high93.3Very high8 Ų840.9 Ų40.94%0.04220%0.198CC..Hα-helixtrans-63.1-42.8172.3-173.565.1000111.9L64 I67 W102 L131 R133 E137 V138 R139 F164L64-L135 HydrophobicContact CD2-CD1 4.09Å; L64-L135 HydrophobicContact CD2-CD2 3.85Å; I67-L135 HydrophobicContact CD1-CD1 3.52Å; W102-L135 HydrophobicContact CD2-CD2 3.97Å; W102-L135 HydrophobicContact CE3-CD2 3.75Å; W102-L135 HydrophobicContact CH2-CB 3.77Å; W102-L135 HydrophobicContact CH2-CD2 3.33Å; W102-L135 HydrophobicContact CH2-CG 4.13Å; W102-L135 HydrophobicContact CZ2-CD2 3.58Å; W102-L135 HydrophobicContact CZ3-CB 3.72Å; W102-L135 HydrophobicContact CZ3-CD2 3.42Å; W102-L135 VanDerWaalsContact CZ3-CD2 3.42Å; W102-L135 HydrophobicContact CZ3-CG 4.18Å; L131-L135 PolarHBondContact O-N 3.41Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 3.32Å; L135-E137 VanDerWaalsContact C-N 3.35Å; L135-E137 PolarHBondContact O-N 3.38Å; L135-V138 WeakPolarHBondContact O-CB 3.47Å; L135-V138 PolarHBondContact O-N 3.42Å; L135-R139 HydrophobicContact CG-CG 4.34Å; L135-R139 WeakPolarHBondContact O-CG 3.25Å; L135-R139 PolarHBondContact O-N 3.36Å; L135-F164 HydrophobicContact CB-CD2 4.14Å; L135-F164 HydrophobicContact CB-CE2 3.86Å; L135-F164 HydrophobicContact CD1-CD2 4.23Å; L135-F164 HydrophobicContact CD1-CE1 4.41Å; L135-F164 HydrophobicContact CD1-CE2 3.7Å; L135-F164 HydrophobicContact CD1-CZ 3.8Å; L135-F164 HydrophobicContact CG-CE2 4.29Å
136E92.7Very high93Very high40 Ų4038.5 Ų38.519%0.18719%0.191CC..Hα-helixtrans-68.8-32.8178.9-167.355.9-132.800112.5T132 R133 R139 S140 R143T132-E136 PolarHBondContact O-N 3.31Å; R133-E136 PolarHBondContact O-N 2.97Å; E136-R139 PolarHBondContact O-N 3.37Å; E136-R139 IonicContact OE1-NH1 2.71Å; E136-R139 WeakPolarHBondContact OE2-CD 3.49Å; E136-R139 IonicContact OE2-CZ 2.79Å; E136-R139 IonicContact OE2-NE 3.16Å; E136-R139 IonicContact OE2-NH1 3.37Å; E136-R139 PolarHBondContact OE2-NH1 3.36Å; E136-S140 WeakPolarHBondContact O-CB 3.41Å; E136-S140 PolarHBondContact O-N 3.42Å; E136-R143 IonicContact OE1-NH1 3.38Å; E136-R143 IonicContact OE1-NH2 3.98Å
137E95.1Very high92.4Very high93 Ų9337.9 Ų37.944%0.43518%0.183SC..Hα-helixtrans-63.9-43.7169.3175.9156.9-14900111.5R133 S134 L135 S140 I141 R156R133-E137 PolarHBondContact O-N 3.2Å; S134-E137 PolarHBondContact O-N 3.2Å; L135-E137 VanDerWaalsContact C-N 3.35Å; L135-E137 PolarHBondContact O-N 3.38Å; E137-S140 PolarHBondContact O-N 3.32Å; E137-I141 HydrophobicContact CG-CD1 3.5Å; E137-I141 VanDerWaalsContact CG-CD1 3.5Å; E137-I141 HydrophobicContact CG-CG1 4.24Å; E137-I141 WeakPolarHBondContact O-CB 3.43Å; E137-I141 VanDerWaalsContact O-CG1 3.28Å; E137-I141 WeakPolarHBondContact O-CG1 3.38Å; E137-I141 PolarHBondContact O-N 3.15Å; E137-R156 IonicContact OE1-NH2 2.7Å; E137-R156 PolarHBondContact OE1-NH2 3.32Å
138V94.8Very high91.7Very high1 Ų145.7 Ų45.71%0.00621%0.211CC..Hα-helixtrans-58.6-50.4173.1165.70000110.7I67 S134 L135 S140 I141 T142 A160 L161 F164I67-V138 HydrophobicContact CD1-CG1 4.15Å; I67-V138 HydrophobicContact CG1-CG1 4.45Å; I67-V138 HydrophobicContact CG2-CG1 4.18Å; S134-V138 WeakPolarHBondContact O-CG2 3.31Å; S134-V138 PolarHBondContact O-N 2.9Å; L135-V138 WeakPolarHBondContact O-CB 3.47Å; L135-V138 PolarHBondContact O-N 3.42Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.37Å; V138-I141 PolarHBondContact O-N 3.19Å; V138-T142 WeakPolarHBondContact O-CB 3.23Å; V138-T142 PolarHBondContact O-N 3.49Å; V138-T142 PolarHBondContact O-OG1 3.48Å; V138-A160 HydrophobicContact CG2-CB 3.94Å; V138-L161 HydrophobicContact CG1-CD2 3.59Å; V138-L161 HydrophobicContact CG2-CD2 4.16Å; V138-F164 HydrophobicContact CG2-CB 3.87Å; V138-F164 HydrophobicContact CG2-CG 4.4Å
139R93.6Very high90.8Very high15 Ų1549.1 Ų49.16%0.05723%0.229CC..Hα-helixtrans-56-48.1177.7-72.4177.168.8-156.16.6111.4F23 D27 N31 I67 L135 E136 T142 R143F23-R139 HydrophobicContact CZ-CB 4.16Å; F23-R139 HydrophobicContact CZ-CG 4.2Å; D27-R139 IonicContact OD1-CZ 2.76Å; D27-R139 IonicContact OD1-NE 3.99Å; D27-R139 PolarHBondContact OD1-NE 2.95Å; D27-R139 IonicContact OD1-NH2 2.99Å; D27-R139 PolarHBondContact OD1-NH2 2.86Å; D27-R139 IonicContact OD2-NH2 3.08Å; N31-R139 PolarHBondContact OD1-NH2 2.97Å; I67-R139 HydrophobicContact CD1-CG 4.45Å; L135-R139 HydrophobicContact CG-CG 4.34Å; L135-R139 WeakPolarHBondContact O-CG 3.25Å; L135-R139 PolarHBondContact O-N 3.36Å; E136-R139 PolarHBondContact O-N 3.37Å; E136-R139 IonicContact OE1-NH1 2.71Å; E136-R139 WeakPolarHBondContact OE2-CD 3.49Å; E136-R139 IonicContact OE2-CZ 2.79Å; E136-R139 IonicContact OE2-NE 3.16Å; E136-R139 IonicContact OE2-NH1 3.37Å; E136-R139 PolarHBondContact OE2-NH1 3.36Å; R139-T142 PolarHBondContact O-N 3.46Å; R139-R143 WeakPolarHBondContact O-CB 3.45Å; R139-R143 PolarHBondContact O-N 2.8Å
140S93.3Very high89.9Confident53 Ų5345.7 Ų45.737%0.37122%0.215SC..Hα-helixtrans-57.9-51.5177.3-177.50000111.8E136 E137 V138 R143 D144E136-S140 WeakPolarHBondContact O-CB 3.41Å; E136-S140 PolarHBondContact O-N 3.42Å; E137-S140 PolarHBondContact O-N 3.32Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.37Å; S140-R143 PolarHBondContact O-N 2.99Å; S140-D144 WeakPolarHBondContact O-CB 3.39Å; S140-D144 PolarHBondContact O-N 3.04Å
141I92.6Very high89Confident6 Ų648.4 Ų48.43%0.03123%0.23CC..Hα-helixtrans-65.3-43.2-179.3-66.9164.6000111.7E137 V138 D144 Q145 R156 M157 A160E137-I141 HydrophobicContact CG-CD1 3.5Å; E137-I141 VanDerWaalsContact CG-CD1 3.5Å; E137-I141 HydrophobicContact CG-CG1 4.24Å; E137-I141 WeakPolarHBondContact O-CB 3.43Å; E137-I141 VanDerWaalsContact O-CG1 3.28Å; E137-I141 WeakPolarHBondContact O-CG1 3.38Å; E137-I141 PolarHBondContact O-N 3.15Å; V138-I141 PolarHBondContact O-N 3.19Å; I141-D144 PolarHBondContact O-N 3.19Å; I141-Q145 WeakPolarHBondContact O-CB 3.28Å; I141-Q145 PolarHBondContact O-N 2.84Å; I141-R156 HydrophobicContact CD1-CG 4.17Å; I141-M157 HydrophobicContact CG2-CB 3.7Å; I141-M157 HydrophobicContact CG2-CG 3.99Å; I141-A160 HydrophobicContact CD1-CB 3.63Å
142T90.2Very high88.3Confident1 Ų153.6 Ų53.61%0.00625%0.253CS..Hα-helixtrans-67.4-38.7-179.7-54.90000111.5L20 F23 I70 V138 R139 Q145 A146 M157L20-T142 HydrophobicContact CD2-CG2 3.55Å; F23-T142 HydrophobicContact CB-CG2 4.24Å; F23-T142 HydrophobicContact CD1-CG2 3.41Å; F23-T142 VanDerWaalsContact CD1-CG2 3.41Å; F23-T142 HydrophobicContact CD2-CG2 4.03Å; F23-T142 HydrophobicContact CE1-CG2 3.79Å; F23-T142 HydrophobicContact CE2-CG2 4.34Å; F23-T142 HydrophobicContact CG-CG2 3.57Å; F23-T142 HydrophobicContact CZ-CG2 4.25Å; I70-T142 HydrophobicContact CD1-CG2 3.95Å; V138-T142 WeakPolarHBondContact O-CB 3.23Å; V138-T142 PolarHBondContact O-N 3.49Å; V138-T142 PolarHBondContact O-OG1 3.48Å; R139-T142 PolarHBondContact O-N 3.46Å; T142-Q145 PolarHBondContact O-N 3.19Å; T142-A146 WeakPolarHBondContact O-CB 3.44Å; T142-A146 PolarHBondContact O-N 3.45Å; T142-M157 HydrophobicContact CG2-CE 3.87Å
143R89.9Confident87.9Confident53 Ų5353.5 Ų53.520%0.225%0.249CC..Hα-helixtrans-61.7-46.3171.8-168.9-171.5-58.9122.91.7111.3F23 D27 E136 R139 S140 Q145 A146 L147F23-R143 HydrophobicContact CE1-CB 4.15Å; D27-R143 VanDerWaalsContact CG-NH2 3.29Å; D27-R143 IonicContact OD1-CZ 3.72Å; D27-R143 IonicContact OD1-NH2 3.02Å; D27-R143 PolarHBondContact OD1-NH2 3.4Å; D27-R143 IonicContact OD2-CZ 3.75Å; D27-R143 IonicContact OD2-NE 2.9Å; D27-R143 PolarHBondContact OD2-NE 3.5Å; D27-R143 IonicContact OD2-NH2 3.97Å; D27-R143 PolarHBondContact OD2-NH2 3.19Å; E136-R143 IonicContact OE1-NH1 3.38Å; E136-R143 IonicContact OE1-NH2 3.98Å; R139-R143 WeakPolarHBondContact O-CB 3.45Å; R139-R143 PolarHBondContact O-N 2.8Å; S140-R143 PolarHBondContact O-N 2.99Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; R143-Q145 PolarHBondContact O-N 2.95Å; R143-A146 PolarHBondContact O-N 3.49Å; R143-L147 WeakPolarHBondContact O-CG 3.41Å; R143-L147 PolarHBondContact O-N 2.81Å
144D88.1Confident87.6Confident63 Ų6348.6 Ų48.634%0.33724%0.236SC..Hα-helixtrans-64-35.2177-120.447.4000112.6S140 I141 R148S140-D144 WeakPolarHBondContact O-CB 3.39Å; S140-D144 PolarHBondContact O-N 3.04Å; I141-D144 PolarHBondContact O-N 3.19Å; D144-R148 WeakPolarHBondContact O-CD 3.39Å; D144-R148 WeakPolarHBondContact O-CG 3.39Å; D144-R148 PolarHBondContact O-NE 2.84Å; D144-R148 IonicContact OD2-CZ 3.18Å; D144-R148 IonicContact OD2-NE 2.74Å; D144-R148 PolarHBondContact OD2-NE 3.15Å; D144-R148 IonicContact OD2-NH2 2.73Å; D144-R148 PolarHBondContact OD2-NH2 3.3Å
145Q85.9Confident87.3Confident16 Ų1652.9 Ų52.98%0.07526%0.258CS..Hα-helixtrans-71.4-45.3176.6-175.16056.800111.4L20 I141 T142 R143 L147 R148 D149 F152 T154 M157L20-Q145 HydrophobicContact CD1-CG 4.01Å; L20-Q145 HydrophobicContact CD2-CG 4.45Å; I141-Q145 WeakPolarHBondContact O-CB 3.28Å; I141-Q145 PolarHBondContact O-N 2.84Å; T142-Q145 PolarHBondContact O-N 3.19Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; R143-Q145 PolarHBondContact O-N 2.95Å; Q145-L147 PolarHBondContact O-N 3.43Å; Q145-R148 PolarHBondContact O-N 2.79Å; Q145-D149 PolarHBondContact NE2-O 3.5Å; Q145-D149 PolarHBondContact O-N 3.37Å; Q145-F152 PolarHBondContact NE2-O 3.18Å; Q145-T154 PolarHBondContact OE1-OG1 3.36Å; Q145-M157 HydrophobicContact CB-SD 4.21Å; Q145-M157 HydrophobicContact CG-SD 4.19Å
146A86Confident87.2Confident5 Ų559.3 Ų59.34%0.04128%0.282CS..Hα-helixtrans-61-29.2178.300000113.3L20 T142 R143 R148 L150L20-A146 HydrophobicContact CB-CB 4.14Å; L20-A146 WeakPolarHBondContact O-CB 3.49Å; T142-A146 WeakPolarHBondContact O-CB 3.44Å; T142-A146 PolarHBondContact O-N 3.45Å; R143-A146 PolarHBondContact O-N 3.49Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-L150 HydrophobicContact CB-CD2 4.1Å; A146-L150 WeakPolarHBondContact O-CD2 3.37Å
147L82.8Confident87.1Confident64 Ų6457.4 Ų57.434%0.33527%0.273SS..THydrogen-bonded Turntrans-78.6-6.9173.1-69.9175.7000114.5I11 Y24 R143 Q145I11-L147 HydrophobicContact CD1-CD2 3.98Å; Y24-L147 HydrophobicContact CD2-CD2 4.24Å; Y24-L147 HydrophobicContact CD2-CG 4.42Å; Y24-L147 HydrophobicContact CE2-CD1 4.49Å; Y24-L147 HydrophobicContact CE2-CD2 3.67Å; Y24-L147 HydrophobicContact CE2-CG 4.1Å; R143-L147 WeakPolarHBondContact O-CG 3.41Å; R143-L147 PolarHBondContact O-N 2.81Å; Q145-L147 PolarHBondContact O-N 3.43Å
148R80.8Confident87Confident186 Ų18655.3 Ų55.370%0.70226%0.262SS*.THydrogen-bonded Turntrans-115.6-55.1-173.9-68.5167.6-168.2-128.75.7113.2D144 Q145 A146D144-R148 WeakPolarHBondContact O-CD 3.39Å; D144-R148 WeakPolarHBondContact O-CG 3.39Å; D144-R148 PolarHBondContact O-NE 2.84Å; D144-R148 IonicContact OD2-CZ 3.18Å; D144-R148 IonicContact OD2-NE 2.74Å; D144-R148 PolarHBondContact OD2-NE 3.15Å; D144-R148 IonicContact OD2-NH2 2.73Å; D144-R148 PolarHBondContact OD2-NH2 3.3Å; Q145-R148 PolarHBondContact O-N 2.79Å; A146-R148 VanDerWaalsContact C-N 3.31Å
149D75.6Confident86.9Confident71 Ų7159.2 Ų59.238%0.3828%0.283SS..  trans-158.1123178.4-173.1-1.7000109.6Q145 N151Q145-D149 PolarHBondContact NE2-O 3.5Å; Q145-D149 PolarHBondContact O-N 3.37Å; D149-N151 VanDerWaalsContact C-N 3.32Å; D149-N151 WeakPolarHBondContact OD1-CB 3.4Å; D149-N151 PolarHBondContact OD1-N 3.3Å; D149-N151 PolarHBondContact OD1-ND2 3.23Å
150L76.7Confident87Confident31 Ų3159 Ų5916%0.16228%0.284CS..THydrogen-bonded Turntrans-83.2-6.7-179.3-61.5168.6000113.2L20 A21 A146L20-L150 HydrophobicContact CB-CD2 3.6Å; A21-L150 HydrophobicContact CB-CD1 4.45Å; A21-L150 HydrophobicContact CB-CD2 4.26Å; A146-L150 HydrophobicContact CB-CD2 4.1Å; A146-L150 WeakPolarHBondContact O-CD2 3.37Å
151N75.9Confident87Confident121 Ų12156.5 Ų56.565%0.64727%0.267SS*.THydrogen-bonded Turntrans-106.11.7-168.7-49.8-84.8000113.8Q18 D149Q18-N151 PolarHBondContact NE2-OD1 3.46Å; Q18-N151 VanDerWaalsContact NE2-OD1 3.07Å; D149-N151 VanDerWaalsContact C-N 3.32Å; D149-N151 WeakPolarHBondContact OD1-CB 3.4Å; D149-N151 PolarHBondContact OD1-N 3.3Å; D149-N151 PolarHBondContact OD1-ND2 3.23Å
152F81.3Confident87.1Confident109 Ų10960.2 Ų60.248%0.47828%0.281SS..  trans-148.9135.5-176.8-178.8-104.1000113.1Q145 T154Q145-F152 PolarHBondContact NE2-O 3.18Å; F152-T154 HydrophobicContact CD1-CG2 4.12Å; F152-T154 HydrophobicContact CE1-CG2 3.99Å
153Y86.3Confident87.4Confident30 Ų3065.2 Ų65.212%0.11830%0.303CS..  trans-99.2114175.5-58.1-69.9000110.9L20 I70 E73 C74 M157 K158L20-Y153 HydrophobicContact CD1-CD1 4.17Å; L20-Y153 HydrophobicContact CD1-CE1 3.81Å; L20-Y153 HydrophobicContact CD2-CD1 4.46Å; L20-Y153 HydrophobicContact CD2-CE1 3.95Å; L20-Y153 HydrophobicContact CG-CD1 4.48Å; L20-Y153 HydrophobicContact CG-CE1 3.75Å; I70-Y153 HydrophobicContact CG2-CE1 4.18Å; E73-Y153 HydrophobicContact CB-CE2 4.42Å; E73-Y153 HydrophobicContact CG-CE2 3.98Å; E73-Y153 WeakPolarHBondContact OE2-CE2 3.2Å; E73-Y153 PolarHBondContact OE2-OH 3.5Å; C74-Y153 WeakPolarHBondContact SG-CD1 3.48Å; C74-Y153 VanDerWaalsContact SG-CD2 3.53Å; Y153-M157 HydrophobicContact CD1-CE 3.64Å; Y153-M157 HydrophobicContact CD1-SD 3.99Å; Y153-M157 HydrophobicContact CE1-CE 3.94Å; Y153-K158 WeakPolarHBondContact O-CE 3.33Å; Y153-K158 PolarHBondContact O-NZ 3.32Å
154T88.7Confident87.6Confident46 Ų4662.9 Ų62.928%0.28230%0.295SS..  trans-69.5151.8-18049.60000112.4Q145 F152 R156 M157 K158Q145-T154 PolarHBondContact OE1-OG1 3.36Å; F152-T154 HydrophobicContact CD1-CG2 4.12Å; F152-T154 HydrophobicContact CE1-CG2 3.99Å; T154-R156 VanDerWaalsContact C-N 3.28Å; T154-R156 PolarHBondContact O-N 2.93Å; T154-M157 WeakPolarHBondContact O-CA 3.48Å; T154-M157 VanDerWaalsContact O-CB 3.3Å; T154-M157 WeakPolarHBondContact O-CB 3.21Å; T154-M157 PolarHBondContact O-N 2.92Å; T154-K158 PolarHBondContact O-N 3.49Å; T154-K158 VanDerWaalsContact O-N 3.13Å
155D88.8Confident88Confident98 Ų9860 Ų6052%0.52428%0.279SS..Hα-helixtrans-65.4-32.5-176.3-55.2-49.9000112.4M157 K158 D159D155-M157 PolarHBondContact O-N 3.43Å; D155-K158 WeakPolarHBondContact O-CB 3.48Å; D155-K158 PolarHBondContact O-N 2.87Å; D155-K158 VanDerWaalsContact O-N 3.1Å; D155-K158 IonicContact OD1-NZ 3.46Å; D155-K158 PolarHBondContact OD1-NZ 2.92Å; D155-D159 PolarHBondContact O-N 2.87Å
156R91.6Very high88.4Confident143 Ų14362.2 Ų62.254%0.5430%0.297SS..Hα-helixtrans-56-38.1168.6-177.5-175173.4-144.1-7.2112.3E137 I141 T154 A160E137-R156 IonicContact OE1-NH2 2.7Å; E137-R156 PolarHBondContact OE1-NH2 3.32Å; I141-R156 HydrophobicContact CD1-CG 4.17Å; T154-R156 VanDerWaalsContact C-N 3.28Å; T154-R156 PolarHBondContact O-N 2.93Å; R156-A160 PolarHBondContact O-N 2.97Å; R156-A160 VanDerWaalsContact O-N 3.07Å
157M91.6Very high88.9Confident1 Ų162.8 Ų62.81%0.00530%0.299CS..Hα-helixtrans-70.2-41.2176.6-174.8172155.300111L20 I70 I141 T142 Q145 Y153 T154 D155 D159 A160 L161L20-M157 HydrophobicContact CD2-CE 4.04Å; L20-M157 HydrophobicContact CD2-SD 4.47Å; I70-M157 HydrophobicContact CG2-CE 3.34Å; I141-M157 HydrophobicContact CG2-CB 3.7Å; I141-M157 HydrophobicContact CG2-CG 3.99Å; T142-M157 HydrophobicContact CG2-CE 3.87Å; Q145-M157 HydrophobicContact CB-SD 4.21Å; Q145-M157 HydrophobicContact CG-SD 4.19Å; Y153-M157 HydrophobicContact CD1-CE 3.64Å; Y153-M157 HydrophobicContact CD1-SD 3.99Å; Y153-M157 HydrophobicContact CE1-CE 3.94Å; T154-M157 WeakPolarHBondContact O-CA 3.48Å; T154-M157 VanDerWaalsContact O-CB 3.3Å; T154-M157 WeakPolarHBondContact O-CB 3.21Å; T154-M157 PolarHBondContact O-N 2.92Å; D155-M157 PolarHBondContact O-N 3.43Å; M157-D159 VanDerWaalsContact C-N 3.34Å; M157-D159 PolarHBondContact O-N 3.46Å; M157-A160 PolarHBondContact O-N 2.98Å; M157-L161 HydrophobicContact CE-CD1 3.97Å; M157-L161 HydrophobicContact CG-CD1 4.03Å; M157-L161 HydrophobicContact CG-CG 4.44Å; M157-L161 WeakPolarHBondContact O-CB 3.48Å; M157-L161 VanDerWaalsContact O-CG 3.22Å; M157-L161 WeakPolarHBondContact O-CG 3.31Å; M157-L161 PolarHBondContact O-N 3.19Å
158K92.2Very high89.4Confident49 Ų4960.5 Ų60.521%0.21329%0.287CS..Hα-helixtrans-63.4-38.4174.2-58.9171.2-162.4151.20112.2I75 Y153 T154 D155 R162I75-K158 HydrophobicContact CG2-CB 3.96Å; I75-K158 HydrophobicContact CG2-CG 4.23Å; Y153-K158 WeakPolarHBondContact O-CE 3.33Å; Y153-K158 PolarHBondContact O-NZ 3.32Å; T154-K158 PolarHBondContact O-N 3.49Å; T154-K158 VanDerWaalsContact O-N 3.13Å; D155-K158 WeakPolarHBondContact O-CB 3.48Å; D155-K158 PolarHBondContact O-N 2.87Å; D155-K158 VanDerWaalsContact O-N 3.1Å; D155-K158 IonicContact OD1-NZ 3.46Å; D155-K158 PolarHBondContact OD1-NZ 2.92Å; K158-R162 WeakPolarHBondContact O-CB 3.19Å; K158-R162 WeakPolarHBondContact O-CG 3.47Å; K158-R162 PolarHBondContact O-N 3.26Å
159D93.4Very high90Very high83 Ų8351.9 Ų51.944%0.44426%0.255SS..Hα-helixtrans-62.1-48.1174.1-76.7-42.9000111.9D155 M157 R162 H163D155-D159 PolarHBondContact O-N 2.87Å; M157-D159 VanDerWaalsContact C-N 3.34Å; M157-D159 PolarHBondContact O-N 3.46Å; D159-R162 PolarHBondContact O-N 2.99Å; D159-R162 IonicContact OD1-CZ 3.11Å; D159-R162 IonicContact OD1-NH1 2.76Å; D159-R162 PolarHBondContact OD1-NH1 2.79Å; D159-R162 IonicContact OD1-NH2 3.54Å; D159-R162 PolarHBondContact OD1-NH2 3.01Å; D159-H163 PolarHBondContact O-N 3.35Å
160A95Very high90.8Very high10 Ų1054 Ų548%0.08326%0.262CS..Hα-helixtrans-62.8-43.117700000112.2V138 I141 R156 M157 H163 F164V138-A160 HydrophobicContact CG2-CB 3.94Å; I141-A160 HydrophobicContact CD1-CB 3.63Å; R156-A160 PolarHBondContact O-N 2.97Å; R156-A160 VanDerWaalsContact O-N 3.07Å; M157-A160 PolarHBondContact O-N 2.98Å; A160-H163 PolarHBondContact O-N 3.11Å; A160-F164 WeakPolarHBondContact O-CB 3.28Å; A160-F164 PolarHBondContact O-N 2.97Å
161L94.3Very high91.6Very high1 Ų152.5 Ų52.51%0.00526%0.255CS..Hα-helixtrans-64.5-42.2176.9-70.3170.6000112.4I67 I70 M71 C74 I75 V138 M157 H163 F164 D165I67-L161 HydrophobicContact CG2-CD2 4.09Å; I70-L161 HydrophobicContact CG2-CD1 3.88Å; M71-L161 HydrophobicContact CG-CB 4.16Å; M71-L161 HydrophobicContact CG-CD1 4.45Å; M71-L161 HydrophobicContact CG-CD2 3.77Å; M71-L161 HydrophobicContact CG-CG 4.34Å; M71-L161 HydrophobicContact SD-CD2 4.4Å; C74-L161 HydrophobicContact CB-CD1 3.94Å; I75-L161 HydrophobicContact CD1-CB 3.95Å; V138-L161 HydrophobicContact CG1-CD2 3.59Å; V138-L161 HydrophobicContact CG2-CD2 4.16Å; M157-L161 HydrophobicContact CE-CD1 3.97Å; M157-L161 HydrophobicContact CG-CD1 4.03Å; M157-L161 HydrophobicContact CG-CG 4.44Å; M157-L161 WeakPolarHBondContact O-CB 3.48Å; M157-L161 VanDerWaalsContact O-CG 3.22Å; M157-L161 WeakPolarHBondContact O-CG 3.31Å; M157-L161 PolarHBondContact O-N 3.19Å; L161-H163 VanDerWaalsContact C-N 3.35Å; L161-H163 PolarHBondContact O-N 2.77Å; L161-F164 PolarHBondContact O-N 2.86Å; L161-D165 WeakPolarHBondContact O-CB 3.35Å; L161-D165 PolarHBondContact O-N 2.89Å
162R94.8Very high92.3Very high84 Ų8447.6 Ų47.632%0.31723%0.228SC..Hα-helixtrans-61.6-41.6173.3-84.3-169.4-92.692.2-0.9112.2I75 D78 K158 D159 S166I75-R162 HydrophobicContact CD1-CG 3.97Å; I75-R162 HydrophobicContact CG2-CG 4.2Å; D78-R162 HydrophobicContact CB-CG 4.09Å; D78-R162 IonicContact OD2-NE 2.65Å; K158-R162 WeakPolarHBondContact O-CB 3.19Å; K158-R162 WeakPolarHBondContact O-CG 3.47Å; K158-R162 PolarHBondContact O-N 3.26Å; D159-R162 PolarHBondContact O-N 2.99Å; D159-R162 IonicContact OD1-CZ 3.11Å; D159-R162 IonicContact OD1-NH1 2.76Å; D159-R162 PolarHBondContact OD1-NH1 2.79Å; D159-R162 IonicContact OD1-NH2 3.54Å; D159-R162 PolarHBondContact OD1-NH2 3.01Å; R162-S166 WeakPolarHBondContact O-CB 3.25Å; R162-S166 PolarHBondContact O-N 3Å; R162-S166 VanDerWaalsContact O-N 3.15Å
163H95.2Very high92.6Very high105 Ų10545.5 Ų45.549%0.48622%0.221SC..Hα-helixtrans-64.9-44.8178-172.327.4000111.4D159 A160 L161 S166 L167D159-H163 PolarHBondContact O-N 3.35Å; A160-H163 PolarHBondContact O-N 3.11Å; L161-H163 VanDerWaalsContact C-N 3.35Å; L161-H163 PolarHBondContact O-N 2.77Å; H163-S166 PolarHBondContact O-N 2.99Å; H163-L167 VanDerWaalsContact CE1-CD1 3.47Å; H163-L167 WeakPolarHBondContact CE1-CD1 3.37Å; H163-L167 WeakPolarHBondContact O-CG 3.38Å; H163-L167 PolarHBondContact O-N 2.76Å
164F95.5Very high92.7Very high5 Ų546.4 Ų46.42%0.02223%0.232CC..Hα-helixtrans-60.7-50.2175.5172-104.8000112.3L64 I67 M71 L131 S134 L135 V138 A160 L161 S166 L167 F168L64-F164 HydrophobicContact CD2-CZ 4.33Å; I67-F164 HydrophobicContact CG2-CD1 4.49Å; I67-F164 HydrophobicContact CG2-CE1 4.22Å; M71-F164 HydrophobicContact CE-CD1 4.28Å; M71-F164 HydrophobicContact CE-CE1 4.08Å; M71-F164 HydrophobicContact SD-CD1 4Å; M71-F164 HydrophobicContact SD-CE1 4.41Å; L131-F164 HydrophobicContact CD1-CD2 3.74Å; L131-F164 HydrophobicContact CD1-CE2 3.59Å; S134-F164 WeakPolarHBondContact OG-CA 3.08Å; S134-F164 WeakPolarHBondContact OG-CB 3.47Å; S134-F164 PolarHBondContact OG-N 3.46Å; L135-F164 HydrophobicContact CB-CD2 4.14Å; L135-F164 HydrophobicContact CB-CE2 3.86Å; L135-F164 HydrophobicContact CD1-CD2 4.23Å; L135-F164 HydrophobicContact CD1-CE1 4.41Å; L135-F164 HydrophobicContact CD1-CE2 3.7Å; L135-F164 HydrophobicContact CD1-CZ 3.8Å; L135-F164 HydrophobicContact CG-CE2 4.29Å; V138-F164 HydrophobicContact CG2-CB 3.87Å; V138-F164 HydrophobicContact CG2-CG 4.4Å; A160-F164 WeakPolarHBondContact O-CB 3.28Å; A160-F164 PolarHBondContact O-N 2.97Å; L161-F164 PolarHBondContact O-N 2.86Å; F164-S166 VanDerWaalsContact C-N 3.27Å; F164-S166 PolarHBondContact O-N 3.31Å; F164-L167 PolarHBondContact O-N 3.2Å; F164-F168 HydrophobicContact CE1-CD2 4.38Å; F164-F168 AromaticContact CE2-CD2 4Å; F164-F168 HydrophobicContact CE2-CD2 4Å; F164-F168 HydrophobicContact CZ-CB 4.44Å; F164-F168 AromaticContact CZ-CD2 3.6Å; F164-F168 HydrophobicContact CZ-CD2 3.6Å; F164-F168 HydrophobicContact CZ-CE2 4.3Å; F164-F168 HydrophobicContact CZ-CG 4.35Å; F164-F168 WeakPolarHBondContact O-CB 3.32Å; F164-F168 PolarHBondContact O-N 3.19Å
165D95.1Very high92.7Very high1 Ų144.9 Ų44.91%0.00522%0.221CC..Hα-helixtrans-63-34.6-177.7-163.355.7000112.3M71 R79 A80 R82 L161 A169M71-D165 HydrophobicContact SD-CB 3.8Å; R79-D165 WeakPolarHBondContact CA-OD2 3.46Å; R79-D165 IonicContact CZ-OD1 3.46Å; R79-D165 IonicContact CZ-OD2 3.91Å; R79-D165 VanDerWaalsContact NE-CG 3.28Å; R79-D165 IonicContact NE-OD1 2.83Å; R79-D165 PolarHBondContact NE-OD1 3.48Å; R79-D165 IonicContact NE-OD2 3.19Å; R79-D165 PolarHBondContact NE-OD2 3.09Å; R79-D165 IonicContact NH2-OD1 3.69Å; R79-D165 PolarHBondContact NH2-OD1 2.98Å; R79-D165 IonicContact NH2-OD2 3.53Å; A80-D165 WeakPolarHBondContact CB-O 3.26Å; A80-D165 PolarHBondContact N-OD2 3.13Å; R82-D165 IonicContact CZ-OD1 3.37Å; R82-D165 IonicContact CZ-OD2 2.85Å; R82-D165 IonicContact NH1-OD1 3.76Å; R82-D165 PolarHBondContact NH1-OD1 2.77Å; R82-D165 VanDerWaalsContact NH1-OD1 3.08Å; R82-D165 IonicContact NH1-OD2 3.73Å; R82-D165 PolarHBondContact NH1-OD2 3.11Å; R82-D165 IonicContact NH2-OD1 3.07Å; R82-D165 PolarHBondContact NH2-OD1 2.96Å; R82-D165 IonicContact NH2-OD2 2.96Å; L161-D165 WeakPolarHBondContact O-CB 3.35Å; L161-D165 PolarHBondContact O-N 2.89Å; D165-A169 WeakPolarHBondContact O-CB 3.42Å; D165-A169 PolarHBondContact O-N 3.26Å
166S95Very high92.5Very high63 Ų6340.5 Ų40.544%0.44120%0.198SC..Hα-helixtrans-67-47.4173.7-170.60000112.5R162 H163 F164 F168 A169 E170R162-S166 WeakPolarHBondContact O-CB 3.25Å; R162-S166 PolarHBondContact O-N 3Å; R162-S166 VanDerWaalsContact O-N 3.15Å; H163-S166 PolarHBondContact O-N 2.99Å; F164-S166 VanDerWaalsContact C-N 3.27Å; F164-S166 PolarHBondContact O-N 3.31Å; S166-F168 VanDerWaalsContact C-N 3.31Å; S166-F168 PolarHBondContact O-N 2.83Å; S166-A169 PolarHBondContact O-N 3.25Å; S166-E170 PolarHBondContact O-N 3.16Å
167L95.6Very high92Very high17 Ų1735.9 Ų35.99%0.08919%0.187CC..Hα-helixtrans-65.3-36.3177-72.2170.7000111.6L127 D130 L131 H163 F164 F171L127-L167 HydrophobicContact CD1-CD2 3.81Å; D130-L167 HydrophobicContact CB-CD1 4.5Å; L131-L167 HydrophobicContact CB-CB 4.31Å; L131-L167 HydrophobicContact CD1-CB 3.89Å; H163-L167 VanDerWaalsContact CE1-CD1 3.47Å; H163-L167 WeakPolarHBondContact CE1-CD1 3.37Å; H163-L167 WeakPolarHBondContact O-CG 3.38Å; H163-L167 PolarHBondContact O-N 2.76Å; F164-L167 PolarHBondContact O-N 3.2Å; L167-F171 VanDerWaalsContact O-CB 3.31Å; L167-F171 WeakPolarHBondContact O-CB 3.39Å; L167-F171 PolarHBondContact O-N 3.05Å
168F94.1Very high91.5Very high17 Ų1736.1 Ų36.18%0.07519%0.19CC..Hα-helixtrans-67.6-43.7178.1-163.1-76.7000110.8A98 L101 L131 F164 S166 F171 E172A98-F168 HydrophobicContact CB-CZ 4.2Å; L101-F168 HydrophobicContact CB-CZ 4.05Å; L101-F168 HydrophobicContact CD1-CE1 3.91Å; L101-F168 HydrophobicContact CD1-CZ 4.21Å; L131-F168 HydrophobicContact CD1-CB 3.95Å; L131-F168 HydrophobicContact CD1-CD2 4.11Å; L131-F168 HydrophobicContact CD1-CG 4.5Å; L131-F168 HydrophobicContact CD2-CD2 4.23Å; F164-F168 HydrophobicContact CE1-CD2 4.38Å; F164-F168 AromaticContact CE2-CD2 4Å; F164-F168 HydrophobicContact CE2-CD2 4Å; F164-F168 HydrophobicContact CZ-CB 4.44Å; F164-F168 AromaticContact CZ-CD2 3.6Å; F164-F168 HydrophobicContact CZ-CD2 3.6Å; F164-F168 HydrophobicContact CZ-CE2 4.3Å; F164-F168 HydrophobicContact CZ-CG 4.35Å; F164-F168 WeakPolarHBondContact O-CB 3.32Å; F164-F168 PolarHBondContact O-N 3.19Å; S166-F168 VanDerWaalsContact C-N 3.31Å; S166-F168 PolarHBondContact O-N 2.83Å; F168-F171 PolarHBondContact O-N 3.46Å; F168-E172 WeakPolarHBondContact O-CB 3.36Å; F168-E172 PolarHBondContact O-N 2.78Å
169A92.8Very high90.6Very high5 Ų535.5 Ų35.54%0.04119%0.188CC..Hα-helixtrans-65.1-39.8176.100000112.8A80 R82 F84 D165 S166 L173A80-A169 HydrophobicContact CB-CB 3.7Å; R82-A169 HydrophobicContact CG-CB 4.23Å; F84-A169 HydrophobicContact CE1-CB 4.37Å; F84-A169 HydrophobicContact CZ-CB 4.3Å; F84-A169 VanDerWaalsContact CZ-O 3.25Å; F84-A169 WeakPolarHBondContact CZ-O 3.44Å; D165-A169 WeakPolarHBondContact O-CB 3.42Å; D165-A169 PolarHBondContact O-N 3.26Å; S166-A169 PolarHBondContact O-N 3.25Å; A169-L173 WeakPolarHBondContact O-CB 3.37Å; A169-L173 PolarHBondContact O-N 3.45Å
170E92.9Very high89.6Confident114 Ų11433 Ų3353%0.53318%0.175SC..Hα-helixtrans-65-42175.5-168.3-179.317000111.4L127 S166 S174L127-E170 HydrophobicContact CD1-CB 4.25Å; L127-E170 HydrophobicContact CD1-CG 4.25Å; L127-E170 HydrophobicContact CD2-CB 4.26Å; L127-E170 HydrophobicContact CD2-CG 3.85Å; S166-E170 PolarHBondContact O-N 3.16Å; E170-S174 WeakPolarHBondContact O-CB 3.5Å; E170-S174 PolarHBondContact O-N 3.35Å
171F93.3Very high88.1Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-68.1-43.5176.3-177.7-93.6000112.2L101 A105 L108 L127 A128 L131 L167 F168 L173 S174 Y175L101-F171 HydrophobicContact CB-CE1 4.43Å; L101-F171 HydrophobicContact CD2-CE1 4.33Å; L101-F171 VanDerWaalsContact O-CE1 3.31Å; L101-F171 WeakPolarHBondContact O-CE1 3.35Å; A105-F171 HydrophobicContact CB-CD1 4.35Å; A105-F171 HydrophobicContact CB-CE1 3.83Å; A105-F171 HydrophobicContact CB-CE2 4.14Å; A105-F171 HydrophobicContact CB-CZ 3.7Å; L108-F171 HydrophobicContact CD1-CE2 3.86Å; L108-F171 HydrophobicContact CD1-CZ 3.94Å; L127-F171 HydrophobicContact CD2-CB 4.11Å; L127-F171 HydrophobicContact CD2-CD2 4.4Å; L127-F171 HydrophobicContact CG-CB 4.14Å; L127-F171 HydrophobicContact CG-CD2 4.27Å; A128-F171 HydrophobicContact CB-CD2 4.39Å; A128-F171 HydrophobicContact CB-CE2 3.93Å; L131-F171 HydrophobicContact CD2-CB 3.67Å; L131-F171 HydrophobicContact CD2-CD1 3.91Å; L131-F171 HydrophobicContact CD2-CD2 4.46Å; L131-F171 HydrophobicContact CD2-CG 3.74Å; L167-F171 VanDerWaalsContact O-CB 3.31Å; L167-F171 WeakPolarHBondContact O-CB 3.39Å; L167-F171 PolarHBondContact O-N 3.05Å; F168-F171 PolarHBondContact O-N 3.46Å; F171-L173 VanDerWaalsContact C-N 3.34Å; F171-L173 PolarHBondContact O-N 3.09Å; F171-S174 PolarHBondContact O-N 2.94Å; F171-Y175 AromaticContact CE1-CD2 3.89Å; F171-Y175 HydrophobicContact CE1-CD2 3.89Å; F171-Y175 HydrophobicContact CE1-CG 4.02Å; F171-Y175 HydrophobicContact CE2-CD2 4.25Å; F171-Y175 AromaticContact CZ-CD2 3.46Å; F171-Y175 HydrophobicContact CZ-CD2 3.46Å; F171-Y175 VanDerWaalsContact CZ-CD2 3.46Å; F171-Y175 HydrophobicContact CZ-CE2 4.08Å; F171-Y175 HydrophobicContact CZ-CG 4.04Å; F171-Y175 WeakPolarHBondContact O-CB 3.42Å; F171-Y175 PolarHBondContact O-N 3.47Å
172E90.9Very high86.8Confident18 Ų1839.7 Ų39.78%0.08422%0.218CC..Hα-helixtrans-53.3-50.1174177.8179.3-179.400110.9R82 F84 C85 F88 L101 F168 V176R82-E172 IonicContact NE-OE2 2.73Å; R82-E172 PolarHBondContact NE-OE2 2.76Å; F84-E172 HydrophobicContact CE2-CB 4.43Å; F84-E172 HydrophobicContact CE2-CG 3.94Å; F84-E172 HydrophobicContact CZ-CB 4.42Å; F84-E172 HydrophobicContact CZ-CG 4.3Å; C85-E172 PolarHBondContact SG-OE1 3.37Å; F88-E172 HydrophobicContact CE2-CG 4.24Å; L101-E172 HydrophobicContact CD1-CB 3.93Å; L101-E172 HydrophobicContact CD1-CG 3.71Å; F168-E172 WeakPolarHBondContact O-CB 3.36Å; F168-E172 PolarHBondContact O-N 2.78Å; E172-V176 WeakPolarHBondContact O-CB 3.22Å; E172-V176 WeakPolarHBondContact O-CG2 3.29Å; E172-V176 PolarHBondContact O-N 3.13Å; E172-V176 VanDerWaalsContact O-N 3.1Å
173L88.1Confident85.8Confident66 Ų6638.1 Ų38.135%0.34621%0.213SC..Hα-helixtrans-60.5-49.8175.9177.755.6000112.3F84 F88 A169 F171 S177F84-L173 HydrophobicContact CB-CD1 3.87Å; F84-L173 HydrophobicContact CD1-CB 4.31Å; F84-L173 HydrophobicContact CD1-CD1 4.46Å; F84-L173 HydrophobicContact CD1-CD2 4.12Å; F84-L173 HydrophobicContact CD2-CB 4.04Å; F84-L173 HydrophobicContact CD2-CD1 3.82Å; F84-L173 HydrophobicContact CD2-CG 4.42Å; F84-L173 HydrophobicContact CE1-CB 4.12Å; F84-L173 HydrophobicContact CE2-CB 3.85Å; F84-L173 HydrophobicContact CE2-CD1 4.49Å; F84-L173 HydrophobicContact CG-CB 4.28Å; F84-L173 HydrophobicContact CG-CD1 3.81Å; F84-L173 HydrophobicContact CG-CD2 4.28Å; F84-L173 HydrophobicContact CG-CG 4.34Å; F84-L173 HydrophobicContact CZ-CB 3.9Å; F88-L173 HydrophobicContact CE1-CD1 4.44Å; A169-L173 WeakPolarHBondContact O-CB 3.37Å; A169-L173 PolarHBondContact O-N 3.45Å; F171-L173 VanDerWaalsContact C-N 3.34Å; F171-L173 PolarHBondContact O-N 3.09Å; L173-S177 WeakPolarHBondContact O-CB 3.41Å; L173-S177 PolarHBondContact O-N 3.45Å; L173-S177 VanDerWaalsContact O-N 3.08Å; L173-S177 PolarHBondContact O-OG 2.85Å
174S88.7Confident84.9Confident49 Ų4935.2 Ų35.234%0.34321%0.205SC..Hα-helixtrans-65.8-44.1-176.2-163.60000112.3M124 E170 F171 S177 A178M124-S174 WeakPolarHBondContact CG-OG 3.47Å; E170-S174 WeakPolarHBondContact O-CB 3.5Å; E170-S174 PolarHBondContact O-N 3.35Å; F171-S174 PolarHBondContact O-N 2.94Å; S174-S177 PolarHBondContact O-N 3.38Å; S174-A178 PolarHBondContact O-N 3.22Å
175Y87.3Confident84.1Confident14 Ų1439 Ų396%0.05523%0.23CC..Hα-helixtrans-68.7-46.9-176.9-170.6-90000112.2L101 L108 I114 M124 F171 A178 M179 V556L101-Y175 HydrophobicContact CD2-CD1 3.52Å; L101-Y175 HydrophobicContact CD2-CE1 4.18Å; L101-Y175 HydrophobicContact CD2-CG 4.02Å; L108-Y175 HydrophobicContact CD1-CD2 3.96Å; L108-Y175 HydrophobicContact CD1-CE2 4.02Å; I114-Y175 HydrophobicContact CD1-CD2 4.23Å; I114-Y175 HydrophobicContact CD1-CE2 3.99Å; M124-Y175 VanDerWaalsContact SD-CA 3.59Å; M124-Y175 HydrophobicContact SD-CD2 4.31Å; F171-Y175 AromaticContact CE1-CD2 3.89Å; F171-Y175 HydrophobicContact CE1-CD2 3.89Å; F171-Y175 HydrophobicContact CE1-CG 4.02Å; F171-Y175 HydrophobicContact CE2-CD2 4.25Å; F171-Y175 AromaticContact CZ-CD2 3.46Å; F171-Y175 HydrophobicContact CZ-CD2 3.46Å; F171-Y175 VanDerWaalsContact CZ-CD2 3.46Å; F171-Y175 HydrophobicContact CZ-CE2 4.08Å; F171-Y175 HydrophobicContact CZ-CG 4.04Å; F171-Y175 WeakPolarHBondContact O-CB 3.42Å; F171-Y175 PolarHBondContact O-N 3.47Å; Y175-A178 PolarHBondContact O-N 3.18Å; Y175-M179 HydrophobicContact CD1-CE 4.49Å; Y175-M179 HydrophobicContact CD1-SD 4.14Å; Y175-M179 HydrophobicContact CE1-CE 3.62Å; Y175-M179 HydrophobicContact CE1-CG 4.44Å; Y175-M179 HydrophobicContact CE1-SD 3.53Å; Y175-M179 VanDerWaalsContact CE1-SD 3.53Å; Y175-M179 HydrophobicContact CE2-CE 4.15Å; Y175-M179 VanDerWaalsContact CZ-CE 3.42Å; Y175-M179 PolarHBondContact O-N 2.78Å; Y175-M179 VanDerWaalsContact O-N 3.1Å; Y175-M179 VanDerWaalsContact OH-CE 3.27Å; Y175-M179 WeakPolarHBondContact OH-CE 3.33Å; Y175-V556 WeakPolarHBondContact OH-CG2 3.35Å
176V84.3Confident83.4Confident5 Ų546.7 Ų46.73%0.0326%0.263CS..Hα-helixtrans-66.9-38.4177.5178.60000111.1F88 I92 L101 E172 A178 M179 V180F88-V176 HydrophobicContact CB-CG1 4.47Å; F88-V176 HydrophobicContact CD1-CB 4.29Å; F88-V176 HydrophobicContact CD1-CG1 3.52Å; F88-V176 HydrophobicContact CD2-CB 4.39Å; F88-V176 HydrophobicContact CD2-CG1 3.89Å; F88-V176 HydrophobicContact CD2-CG2 4.4Å; F88-V176 HydrophobicContact CE1-CB 3.79Å; F88-V176 HydrophobicContact CE1-CG1 3.53Å; F88-V176 HydrophobicContact CE2-CB 3.91Å; F88-V176 HydrophobicContact CE2-CG1 3.91Å; F88-V176 HydrophobicContact CE2-CG2 3.9Å; F88-V176 HydrophobicContact CG-CG1 3.71Å; F88-V176 HydrophobicContact CZ-CB 3.57Å; F88-V176 HydrophobicContact CZ-CG1 3.72Å; F88-V176 HydrophobicContact CZ-CG2 4.04Å; I92-V176 HydrophobicContact CD1-CG1 3.69Å; I92-V176 HydrophobicContact CG2-CG1 4.27Å; I92-V176 HydrophobicContact CG2-CG2 4.43Å; L101-V176 HydrophobicContact CD2-CG2 4.34Å; E172-V176 WeakPolarHBondContact O-CB 3.22Å; E172-V176 WeakPolarHBondContact O-CG2 3.29Å; E172-V176 PolarHBondContact O-N 3.13Å; E172-V176 VanDerWaalsContact O-N 3.1Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 2.83Å; V176-M179 PolarHBondContact O-N 3.3Å; V176-V180 PolarHBondContact O-N 3.27Å
177S81.4Confident82.8Confident46 Ų4647.6 Ų47.632%0.32226%0.261SS..Hα-helixtrans-67.5-24.7176.5-54.30000113.8L173 S174L173-S177 WeakPolarHBondContact O-CB 3.41Å; L173-S177 PolarHBondContact O-N 3.45Å; L173-S177 VanDerWaalsContact O-N 3.08Å; L173-S177 PolarHBondContact O-OG 2.85Å; S174-S177 PolarHBondContact O-N 3.38Å
178A81.8Confident82.2Confident6 Ų650.3 Ų50.35%0.0527%0.27CS..Hα-helixtrans-78.9-34.1171.800000112.1R117 E120 M124 S174 Y175 V176R117-A178 VanDerWaalsContact CZ-O 3.29Å; R117-A178 PolarHBondContact NE-O 2.73Å; R117-A178 PolarHBondContact NH2-O 3.45Å; E120-A178 HydrophobicContact CB-CB 4.02Å; E120-A178 HydrophobicContact CG-CB 4.41Å; M124-A178 HydrophobicContact CE-CB 3.74Å; S174-A178 PolarHBondContact O-N 3.22Å; Y175-A178 PolarHBondContact O-N 3.18Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 2.83Å
179M74.1Confident81.9Confident36 Ų3654 Ų5418%0.17729%0.29CS..Hα-helixtrans-81.6-30.7-179.9-71.2-161.5164.200114I114 Y175 V176 L552 T555 V556I114-M179 HydrophobicContact CD1-CE 4.19Å; I114-M179 HydrophobicContact CG1-CE 4.47Å; I114-M179 HydrophobicContact CG2-CE 4.18Å; Y175-M179 HydrophobicContact CD1-CE 4.49Å; Y175-M179 HydrophobicContact CD1-SD 4.14Å; Y175-M179 HydrophobicContact CE1-CE 3.62Å; Y175-M179 HydrophobicContact CE1-CG 4.44Å; Y175-M179 HydrophobicContact CE1-SD 3.53Å; Y175-M179 VanDerWaalsContact CE1-SD 3.53Å; Y175-M179 HydrophobicContact CE2-CE 4.15Å; Y175-M179 VanDerWaalsContact CZ-CE 3.42Å; Y175-M179 PolarHBondContact O-N 2.78Å; Y175-M179 VanDerWaalsContact O-N 3.1Å; Y175-M179 VanDerWaalsContact OH-CE 3.27Å; Y175-M179 WeakPolarHBondContact OH-CE 3.33Å; V176-M179 PolarHBondContact O-N 3.3Å; M179-L552 HydrophobicContact SD-CD2 4.32Å; M179-T555 HydrophobicContact CE-CG2 4.29Å; M179-V556 HydrophobicContact CE-CG2 3.94Å
180V71.7Confident81.7Confident30 Ų3055.3 Ų55.318%0.18230%0.298CS..SBendtrans-135.4138-174.11720000110.4P89 I92 V176 V182P89-V180 HydrophobicContact CG-CG1 3.84Å; I92-V180 HydrophobicContact CD1-CB 3.93Å; I92-V180 HydrophobicContact CD1-CG1 4.04Å; I92-V180 HydrophobicContact CD1-CG2 3.62Å; V176-V180 PolarHBondContact O-N 3.27Å; V180-V182 PolarHBondContact O-N 3.05Å
181P63.2Low81.4Confident116 Ų11650.6 Ų50.675%0.75328%0.276SS*.  trans-66.492.6178.327.7-35.9000111.7K183P181-K183 PolarHBondContact O-N 3.14Å
182V68.1Low81.3Confident36 Ų3656.2 Ų56.222%0.21830%0.302CS..  trans-76.7112.2170.4175.60000108.6K87 F88 V180 S184K87-V182 HydrophobicContact CB-CG1 3.84Å; K87-V182 HydrophobicContact CD-CG1 4.04Å; F88-V182 HydrophobicContact CD1-CG2 3.98Å; F88-V182 HydrophobicContact CE1-CG2 4.09Å; V180-V182 PolarHBondContact O-N 3.05Å; V182-S184 PolarHBondContact O-N 2.99Å
183K72Confident81.3Confident51 Ų5158.8 Ų58.822%0.22231%0.314CS..  trans-58.2134.6178.8-76.1171.6-179165.70111.7P181 E187 Y188 D846P181-K183 PolarHBondContact O-N 3.14Å; K183-E187 HydrophobicContact CB-CB 4.03Å; K183-E187 HydrophobicContact CG-CB 4.12Å; K183-Y188 HydrophobicContact CB-CD2 3.75Å; K183-Y188 HydrophobicContact CB-CE1 4.5Å; K183-Y188 HydrophobicContact CB-CE2 3.5Å; K183-Y188 VanDerWaalsContact CB-CE2 3.5Å; K183-Y188 HydrophobicContact CB-CG 4.38Å; K183-Y188 HydrophobicContact CD-CE1 4.39Å; K183-Y188 WeakPolarHBondContact O-CE2 3.33Å; K183-D846 WeakPolarHBondContact CE-OD1 3.5Å; K183-D846 IonicContact NZ-OD1 3.82Å; K183-D846 PolarHBondContact NZ-OD1 3.05Å
184S78.1Confident81.6Confident45 Ų4555.7 Ų55.732%0.31530%0.298SS..  trans-66.5161.2168.372.30000110.7V182 K186 E187 Y188V182-S184 PolarHBondContact O-N 2.99Å; S184-K186 PolarHBondContact O-N 3.03Å; S184-E187 WeakPolarHBondContact CA-OE2 3.27Å; S184-E187 WeakPolarHBondContact CB-OE2 3.04Å; S184-E187 PolarHBondContact N-OE2 2.87Å; S184-E187 PolarHBondContact O-N 3.07Å; S184-E187 VanDerWaalsContact O-N 3.09Å; S184-E187 PolarHBondContact OG-N 2.65Å; S184-E187 PolarHBondContact OG-OE2 2.97Å; S184-Y188 WeakPolarHBondContact O-CD2 3.01Å; S184-Y188 PolarHBondContact O-N 3.44Å
185P77.4Confident81.8Confident85 Ų8554.4 Ų54.455%0.55229%0.287SS*.Hα-helixtrans-52.9-41.3176.2-27.235.9000112.8E187 Y188 D189P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.38Å; P185-Y188 WeakPolarHBondContact O-CB 3.32Å; P185-Y188 PolarHBondContact O-N 3.09Å; P185-Y188 VanDerWaalsContact O-N 3.13Å; P185-D189 PolarHBondContact O-N 2.96Å
186K80.3Confident82.2Confident161 Ų16157.6 Ų57.670%0.731%0.308SS*.Hα-helixtrans-61.1-38.5178.2-67.4-172.7173.2-168.20113.4S184 Y188 D189 V190S184-K186 PolarHBondContact O-N 3.03Å; K186-Y188 VanDerWaalsContact C-N 3.33Å; K186-D189 PolarHBondContact O-N 3.21Å; K186-V190 WeakPolarHBondContact O-CB 3.26Å; K186-V190 VanDerWaalsContact O-CG2 3.32Å; K186-V190 WeakPolarHBondContact O-CG2 3.47Å; K186-V190 PolarHBondContact O-N 2.9Å
187E83.4Confident82.7Confident83 Ų8357.4 Ų57.439%0.38831%0.307SS..Hα-helixtrans-71.5-31.6178.6-71.2156.8122.100111.2K183 S184 P185 Q191K183-E187 HydrophobicContact CB-CB 4.03Å; K183-E187 HydrophobicContact CG-CB 4.12Å; S184-E187 WeakPolarHBondContact CA-OE2 3.27Å; S184-E187 WeakPolarHBondContact CB-OE2 3.04Å; S184-E187 PolarHBondContact N-OE2 2.87Å; S184-E187 PolarHBondContact O-N 3.07Å; S184-E187 VanDerWaalsContact O-N 3.09Å; S184-E187 PolarHBondContact OG-N 2.65Å; S184-E187 PolarHBondContact OG-OE2 2.97Å; P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.38Å; E187-Q191 VanDerWaalsContact O-CB 3.26Å; E187-Q191 WeakPolarHBondContact O-CB 3.17Å; E187-Q191 PolarHBondContact O-N 3.49Å
188Y83.3Confident83.4Confident74 Ų7455.4 Ų55.429%0.2929%0.292SS..Hα-helixtrans-68.4-44.9167.9-77.8-71.5000112.2K87 K183 S184 P185 K186 V190 Q191 Q192K87-Y188 HydrophobicContact CD-CE2 4.5Å; K87-Y188 HydrophobicContact CG-CE2 4.36Å; K183-Y188 HydrophobicContact CB-CD2 3.75Å; K183-Y188 HydrophobicContact CB-CE1 4.5Å; K183-Y188 HydrophobicContact CB-CE2 3.5Å; K183-Y188 VanDerWaalsContact CB-CE2 3.5Å; K183-Y188 HydrophobicContact CB-CG 4.38Å; K183-Y188 HydrophobicContact CD-CE1 4.39Å; K183-Y188 WeakPolarHBondContact O-CE2 3.33Å; S184-Y188 WeakPolarHBondContact O-CD2 3.01Å; S184-Y188 PolarHBondContact O-N 3.44Å; P185-Y188 WeakPolarHBondContact O-CB 3.32Å; P185-Y188 PolarHBondContact O-N 3.09Å; P185-Y188 VanDerWaalsContact O-N 3.13Å; K186-Y188 VanDerWaalsContact C-N 3.33Å; Y188-V190 VanDerWaalsContact C-N 3.34Å; Y188-V190 PolarHBondContact O-N 3.22Å; Y188-Q191 PolarHBondContact O-N 3.43Å; Y188-Q192 WeakPolarHBondContact O-CG 3.32Å; Y188-Q192 PolarHBondContact O-N 2.97Å
189D86.8Confident84Confident93 Ų9355.6 Ų55.650%0.49729%0.293SS..Hα-helixtrans-57.4-47.2177.3-59.1-34.6000110.7P185 K186 Q192 E193P185-D189 PolarHBondContact O-N 2.96Å; K186-D189 PolarHBondContact O-N 3.21Å; D189-Q192 WeakPolarHBondContact O-CB 3.41Å; D189-Q192 PolarHBondContact O-N 3Å; D189-E193 PolarHBondContact O-N 3.23Å
190V88.3Confident85Confident34 Ų3457.2 Ų57.221%0.20630%0.3CS..Hα-helixtrans-69.2-33.8177.5171.50000112.2K186 Y188 Q192 E193 V194K186-V190 WeakPolarHBondContact O-CB 3.26Å; K186-V190 VanDerWaalsContact O-CG2 3.32Å; K186-V190 WeakPolarHBondContact O-CG2 3.47Å; K186-V190 PolarHBondContact O-N 2.9Å; Y188-V190 VanDerWaalsContact C-N 3.34Å; Y188-V190 PolarHBondContact O-N 3.22Å; V190-Q192 VanDerWaalsContact C-N 3.32Å; V190-E193 PolarHBondContact O-N 3.49Å; V190-V194 WeakPolarHBondContact O-CG2 3.24Å; V190-V194 PolarHBondContact O-N 2.99Å
191Q88.1Confident86.1Confident15 Ų1555.9 Ų55.97%0.0729%0.292CS..Hα-helixtrans-66.3-35.6170.9-173.1178.9-8.100111.4E187 Y188 V194 I195 S849 I850E187-Q191 VanDerWaalsContact O-CB 3.26Å; E187-Q191 WeakPolarHBondContact O-CB 3.17Å; E187-Q191 PolarHBondContact O-N 3.49Å; Y188-Q191 PolarHBondContact O-N 3.43Å; Q191-V194 PolarHBondContact O-N 3.14Å; Q191-I195 HydrophobicContact CG-CD1 4.19Å; Q191-I195 WeakPolarHBondContact O-CG1 3.49Å; Q191-I195 PolarHBondContact O-N 2.75Å; Q191-S849 PolarHBondContact NE2-OG 3.16Å; Q191-S849 VanDerWaalsContact NE2-OG 3.07Å; Q191-I850 HydrophobicContact CG-CD1 4.31Å; Q191-I850 HydrophobicContact CG-CG1 4.01Å
192Q89.8Confident87.6Confident117 Ų11750.4 Ų50.455%0.54726%0.257SS..Hα-helixtrans-66.5-39.9174.8-73.3179.17.600112.1Y188 D189 V190 V194 I195 V196Y188-Q192 WeakPolarHBondContact O-CG 3.32Å; Y188-Q192 PolarHBondContact O-N 2.97Å; D189-Q192 WeakPolarHBondContact O-CB 3.41Å; D189-Q192 PolarHBondContact O-N 3Å; V190-Q192 VanDerWaalsContact C-N 3.32Å; Q192-V194 VanDerWaalsContact C-N 3.25Å; Q192-V194 PolarHBondContact O-N 3.34Å; Q192-I195 PolarHBondContact O-N 3.17Å; Q192-V196 WeakPolarHBondContact O-CG2 3.43Å; Q192-V196 PolarHBondContact O-N 2.92Å
193E92.1Very high88.8Confident73 Ų7352.2 Ų52.234%0.34126%0.263SS..Hα-helixtrans-57-40.1171.2-68.9-163.8168.300111.5D189 V190 V196 L197 P243 R248D189-E193 PolarHBondContact O-N 3.23Å; V190-E193 PolarHBondContact O-N 3.49Å; E193-V196 PolarHBondContact O-N 3.41Å; E193-L197 PolarHBondContact O-N 2.8Å; E193-P243 HydrophobicContact CB-CB 3.83Å; E193-P243 HydrophobicContact CB-CG 4.2Å; E193-P243 WeakPolarHBondContact O-CG 3.33Å; E193-R248 IonicContact OE1-NH1 2.91Å; E193-R248 IonicContact OE2-NH1 3.32Å; E193-R248 PolarHBondContact OE2-NH1 3.11Å
194V93.8Very high89.8Confident0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-68.5-39.9176.21780000112.3V190 Q191 Q192 V196 L197 F198 P243 L256 F257 I850V190-V194 WeakPolarHBondContact O-CG2 3.24Å; V190-V194 PolarHBondContact O-N 2.99Å; Q191-V194 PolarHBondContact O-N 3.14Å; Q192-V194 VanDerWaalsContact C-N 3.25Å; Q192-V194 PolarHBondContact O-N 3.34Å; V194-V196 VanDerWaalsContact C-N 3.33Å; V194-V196 PolarHBondContact O-N 3.37Å; V194-L197 PolarHBondContact O-N 3.02Å; V194-F198 HydrophobicContact CG1-CD2 3.91Å; V194-F198 HydrophobicContact CG1-CE2 3.78Å; V194-F198 VanDerWaalsContact O-CD2 3.27Å; V194-F198 WeakPolarHBondContact O-CD2 3.45Å; V194-F198 PolarHBondContact O-N 3.4Å; V194-P243 HydrophobicContact CG2-CB 3.85Å; V194-P243 HydrophobicContact CG2-CG 4.15Å; V194-L256 HydrophobicContact CG1-CD1 4.34Å; V194-F257 HydrophobicContact CG1-CE2 4Å; V194-F257 HydrophobicContact CG2-CD2 4.45Å; V194-F257 HydrophobicContact CG2-CE2 4.05Å; V194-I850 HydrophobicContact CG1-CD1 3.86Å
195I93.8Very high90.5Very high23 Ų2349.5 Ų49.512%0.11824%0.244CC..Hα-helixtrans-61.9-42.3174.4-67.9162.5000110.5Q191 Q192 F198 C199 I850 T853Q191-I195 HydrophobicContact CG-CD1 4.19Å; Q191-I195 WeakPolarHBondContact O-CG1 3.49Å; Q191-I195 PolarHBondContact O-N 2.75Å; Q192-I195 PolarHBondContact O-N 3.17Å; I195-F198 PolarHBondContact O-N 3.42Å; I195-C199 WeakPolarHBondContact O-CB 3.43Å; I195-C199 PolarHBondContact O-N 3.09Å; I195-C199 PolarHBondContact O-SG 3.33Å; I195-C199 VanDerWaalsContact O-SG 3.34Å; I195-I850 HydrophobicContact CG1-CB 4.22Å; I195-I850 HydrophobicContact CG1-CG1 3.95Å; I195-I850 HydrophobicContact CG1-CG2 3.99Å; I195-T853 HydrophobicContact CD1-CG2 4.19Å; I195-T853 HydrophobicContact CG2-CG2 4.15Å
196V94.3Very high91.2Very high81 Ų8147.7 Ų47.749%0.49123%0.23SC..Hα-helixtrans-60.6-49.2175.2171.70000110.9Q192 E193 V194 F198 C199 E200Q192-V196 WeakPolarHBondContact O-CG2 3.43Å; Q192-V196 PolarHBondContact O-N 2.92Å; E193-V196 PolarHBondContact O-N 3.41Å; V194-V196 VanDerWaalsContact C-N 3.33Å; V194-V196 PolarHBondContact O-N 3.37Å; V196-F198 VanDerWaalsContact C-N 3.29Å; V196-F198 PolarHBondContact O-N 2.95Å; V196-C199 PolarHBondContact O-N 3.17Å; V196-C199 VanDerWaalsContact O-N 3.15Å; V196-E200 HydrophobicContact CG1-CG 4.31Å; V196-E200 WeakPolarHBondContact O-CG 3.34Å; V196-E200 PolarHBondContact O-N 2.84Å
197L95.3Very high91.8Very high1 Ų148.2 Ų48.21%0.00523%0.227CC..Hα-helixtrans-56.7-42.1176.1171.762000112.1E193 V194 T201 C234 Y239 P243 L244E193-L197 PolarHBondContact O-N 2.8Å; V194-L197 PolarHBondContact O-N 3.02Å; L197-T201 VanDerWaalsContact O-CB 3.26Å; L197-T201 WeakPolarHBondContact O-CB 3.43Å; L197-T201 PolarHBondContact O-N 3.22Å; L197-T201 PolarHBondContact O-OG1 3.49Å; L197-C234 HydrophobicContact CD1-CB 4.32Å; L197-Y239 HydrophobicContact CD1-CD2 3.88Å; L197-Y239 HydrophobicContact CD1-CG 4.42Å; L197-P243 HydrophobicContact CB-CG 3.84Å; L197-P243 HydrophobicContact CD2-CG 3.74Å; L197-P243 HydrophobicContact CG-CG 4.42Å; L197-L244 HydrophobicContact CD2-CD1 4.04Å; L197-L244 HydrophobicContact CD2-CG 4.05Å
198F95.6Very high92.1Very high3 Ų347.9 Ų47.91%0.01323%0.228CC..Hα-helixtrans-66.7-41.9178.2-85.7-134.3000111.3V194 I195 V196 T201 V202 I227 P228 A231 F257 L847 I850 L851 L854V194-F198 HydrophobicContact CG1-CD2 3.91Å; V194-F198 HydrophobicContact CG1-CE2 3.78Å; V194-F198 VanDerWaalsContact O-CD2 3.27Å; V194-F198 WeakPolarHBondContact O-CD2 3.45Å; V194-F198 PolarHBondContact O-N 3.4Å; I195-F198 PolarHBondContact O-N 3.42Å; V196-F198 VanDerWaalsContact C-N 3.29Å; V196-F198 PolarHBondContact O-N 2.95Å; F198-T201 WeakPolarHBondContact O-CB 3.26Å; F198-T201 PolarHBondContact O-N 2.8Å; F198-V202 WeakPolarHBondContact O-CG2 3.42Å; F198-V202 PolarHBondContact O-N 3.39Å; F198-I227 HydrophobicContact CB-CG2 4.44Å; F198-I227 HydrophobicContact CD1-CG2 3.6Å; F198-I227 HydrophobicContact CE1-CG2 4.12Å; F198-I227 HydrophobicContact CG-CG2 4.2Å; F198-P228 HydrophobicContact CE1-CB 4.47Å; F198-P228 HydrophobicContact CE1-CG 4.11Å; F198-P228 HydrophobicContact CZ-CB 4.27Å; F198-P228 HydrophobicContact CZ-CG 4.39Å; F198-A231 HydrophobicContact CD2-CB 3.63Å; F198-A231 HydrophobicContact CE2-CB 3.53Å; F198-A231 HydrophobicContact CG-CB 4.29Å; F198-A231 HydrophobicContact CZ-CB 4.12Å; F198-F257 HydrophobicContact CE2-CZ 4.34Å; F198-L847 HydrophobicContact CE1-CD1 3.83Å; F198-L847 HydrophobicContact CZ-CD1 4.15Å; F198-I850 HydrophobicContact CB-CG2 4.41Å; F198-I850 HydrophobicContact CD1-CG2 3.64Å; F198-I850 HydrophobicContact CE1-CG2 4Å; F198-I850 HydrophobicContact CG-CG2 3.99Å; F198-L851 HydrophobicContact CD1-CD2 4.32Å; F198-L854 VanDerWaalsContact C-CD1 3.41Å; F198-L854 HydrophobicContact CB-CD1 3.58Å; F198-L854 WeakPolarHBondContact O-CD1 3.5Å
199C94.5Very high92.4Very high11 Ų1147.4 Ų47.47%0.07425%0.245CC..Hα-helixtrans-62.8-46.7175.1-73.30000112.2I195 V196 T201 V202 E203I195-C199 WeakPolarHBondContact O-CB 3.43Å; I195-C199 PolarHBondContact O-N 3.09Å; I195-C199 PolarHBondContact O-SG 3.33Å; I195-C199 VanDerWaalsContact O-SG 3.34Å; V196-C199 PolarHBondContact O-N 3.17Å; V196-C199 VanDerWaalsContact O-N 3.15Å; C199-T201 VanDerWaalsContact C-N 3.29Å; C199-T201 PolarHBondContact O-N 3.24Å; C199-V202 PolarHBondContact O-N 3.45Å; C199-E203 PolarHBondContact O-N 2.58Å
200E94.6Very high92.5Very high70 Ų7044.3 Ų44.333%0.32723%0.227SC..Hα-helixtrans-62.6-36.4175.9-72.5-171.9132.100112.2V196 R204 Y239V196-E200 HydrophobicContact CG1-CG 4.31Å; V196-E200 WeakPolarHBondContact O-CG 3.34Å; V196-E200 PolarHBondContact O-N 2.84Å; E200-R204 WeakPolarHBondContact O-CB 3.13Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-Y239 HydrophobicContact CB-CE1 4.46Å; E200-Y239 HydrophobicContact CB-CE2 3.96Å; E200-Y239 WeakPolarHBondContact OE2-CE1 3.38Å
201T95.2Very high92.7Very high2 Ų243 Ų431%0.01222%0.219CC..Hα-helixtrans-61.3-47.1173-63.50000111.2L197 F198 C199 R204 A205 L230 A231 C234L197-T201 VanDerWaalsContact O-CB 3.26Å; L197-T201 WeakPolarHBondContact O-CB 3.43Å; L197-T201 PolarHBondContact O-N 3.22Å; L197-T201 PolarHBondContact O-OG1 3.49Å; F198-T201 WeakPolarHBondContact O-CB 3.26Å; F198-T201 PolarHBondContact O-N 2.8Å; C199-T201 VanDerWaalsContact C-N 3.29Å; C199-T201 PolarHBondContact O-N 3.24Å; T201-R204 PolarHBondContact O-N 2.7Å; T201-A205 WeakPolarHBondContact O-CB 3.49Å; T201-A205 PolarHBondContact O-N 3.01Å; T201-L230 HydrophobicContact CG2-CB 3.52Å; T201-A231 HydrophobicContact CG2-CB 4.16Å; T201-A231 WeakPolarHBondContact OG1-CA 3.45Å; T201-C234 HydrophobicContact CG2-CB 4.46Å; T201-C234 WeakPolarHBondContact OG1-CB 3.41Å
202V94.5Very high92.8Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-68.2-41.4178.7173.20000111.5F198 C199 R204 A205 L206 I216 I227 L854 M858F198-V202 WeakPolarHBondContact O-CG2 3.42Å; F198-V202 PolarHBondContact O-N 3.39Å; C199-V202 PolarHBondContact O-N 3.45Å; V202-R204 VanDerWaalsContact C-N 3.26Å; V202-R204 PolarHBondContact O-N 2.76Å; V202-A205 PolarHBondContact O-N 3.12Å; V202-A205 VanDerWaalsContact O-N 3.17Å; V202-L206 HydrophobicContact CG1-CD1 4.12Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CB 3.34Å; V202-L206 WeakPolarHBondContact O-CG 3.34Å; V202-L206 PolarHBondContact O-N 2.91Å; V202-I216 HydrophobicContact CG1-CD1 3.48Å; V202-I216 VanDerWaalsContact CG1-CD1 3.48Å; V202-I216 HydrophobicContact CG1-CG1 4.42Å; V202-I227 HydrophobicContact CG2-CD1 3.72Å; V202-I227 HydrophobicContact CG2-CG1 3.84Å; V202-I227 HydrophobicContact CG2-CG2 3.98Å; V202-L854 HydrophobicContact CG2-CD1 3.92Å; V202-L854 HydrophobicContact CG2-CD2 4.26Å; V202-M858 HydrophobicContact CG1-CE 4.11Å; V202-M858 HydrophobicContact CG1-CG 4.45Å
203E93.1Very high92.8Very high74 Ų7442.6 Ų42.635%0.34622%0.221SC..Hα-helixtrans-60.6-33.5172.1-76-175.5-168.400112.9C199 R207 M858 K861C199-E203 PolarHBondContact O-N 2.58Å; E203-R207 WeakPolarHBondContact O-CB 3.41Å; E203-R207 VanDerWaalsContact O-CG 3.3Å; E203-R207 WeakPolarHBondContact O-CG 3.43Å; E203-R207 PolarHBondContact O-N 3.14Å; E203-R207 PolarHBondContact O-NE 3.25Å; E203-M858 HydrophobicContact CG-CE 3.92Å; E203-M858 HydrophobicContact CG-SD 4.24Å; E203-K861 IonicContact OE1-NZ 3.07Å; E203-K861 PolarHBondContact OE1-NZ 2.75Å
204R93.5Very high92.7Very high39 Ų3944.1 Ų44.115%0.14723%0.232CC..Hα-helixtrans-72.9-42.6172.6-178.8169.5170.7-83.8-7.3111.6E200 T201 V202 R207 L208 C234 E283E200-R204 WeakPolarHBondContact O-CB 3.13Å; E200-R204 PolarHBondContact O-N 3.46Å; T201-R204 PolarHBondContact O-N 2.7Å; V202-R204 VanDerWaalsContact C-N 3.26Å; V202-R204 PolarHBondContact O-N 2.76Å; R204-R207 PolarHBondContact O-N 3.4Å; R204-L208 HydrophobicContact CG-CD1 3.85Å; R204-L208 HydrophobicContact CG-CG 4.43Å; R204-L208 WeakPolarHBondContact O-CG 3.38Å; R204-L208 PolarHBondContact O-N 2.78Å; R204-C234 PolarHBondContact NH1-SG 3.06Å; R204-C234 VanDerWaalsContact NH1-SG 3.41Å; R204-E283 IonicContact CZ-OE1 2.66Å; R204-E283 IonicContact CZ-OE2 3.36Å; R204-E283 VanDerWaalsContact NH1-CD 3.32Å; R204-E283 IonicContact NH1-OE1 2.73Å; R204-E283 PolarHBondContact NH1-OE1 3.11Å; R204-E283 IonicContact NH1-OE2 2.68Å; R204-E283 PolarHBondContact NH1-OE2 3.45Å; R204-E283 IonicContact NH2-OE1 3.48Å; R204-E283 PolarHBondContact NH2-OE1 3.25Å; R204-E283 IonicContact NH2-OE2 3.21Å; R204-E283 PolarHBondContact NH2-OE2 2.96Å
205A93.4Very high92.5Very high1 Ų146 Ų461%0.00824%0.241CC..Hα-helixtrans-62.1-42.9178.400000112.4T201 V202 L208 G209 Y210 L211 L230T201-A205 WeakPolarHBondContact O-CB 3.49Å; T201-A205 PolarHBondContact O-N 3.01Å; V202-A205 PolarHBondContact O-N 3.12Å; V202-A205 VanDerWaalsContact O-N 3.17Å; A205-L208 PolarHBondContact O-N 3.42Å; A205-G209 PolarHBondContact O-N 3.19Å; A205-G209 VanDerWaalsContact O-N 3.08Å; A205-Y210 HydrophobicContact CB-CD2 4.46Å; A205-Y210 PolarHBondContact O-N 3.39Å; A205-L211 HydrophobicContact CB-CB 4.43Å; A205-L211 HydrophobicContact CB-CD1 3.85Å; A205-L211 HydrophobicContact CB-CG 3.96Å; A205-L230 HydrophobicContact CB-CD1 3.92Å
206L92.2Very high92.3Very high46 Ų4645 Ų4524%0.24124%0.236CC..Hα-helixtrans-59.6-48.3172.2-73.3167.6000111.6V202 L208 G209 L211 I216 M858V202-L206 HydrophobicContact CG1-CD1 4.12Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CB 3.34Å; V202-L206 WeakPolarHBondContact O-CG 3.34Å; V202-L206 PolarHBondContact O-N 2.91Å; L206-L208 PolarHBondContact O-N 2.87Å; L206-G209 PolarHBondContact O-N 3.26Å; L206-G209 VanDerWaalsContact O-N 3.13Å; L206-L211 HydrophobicContact CD2-CB 4.47Å; L206-I216 HydrophobicContact CD1-CD1 3.78Å; L206-I216 HydrophobicContact CD2-CD1 3.85Å; L206-I216 HydrophobicContact CG-CD1 4.04Å; L206-M858 HydrophobicContact CD1-CE 3.96Å
207R92.3Very high92Very high173 Ų17344.5 Ų44.565%0.65323%0.231SC*.Hα-helixtrans-64.2-25.4178.6-77.3178.7-68.3156-3.6114.1E203 R204E203-R207 WeakPolarHBondContact O-CB 3.41Å; E203-R207 VanDerWaalsContact O-CG 3.3Å; E203-R207 WeakPolarHBondContact O-CG 3.43Å; E203-R207 PolarHBondContact O-N 3.14Å; E203-R207 PolarHBondContact O-NE 3.25Å; R204-R207 PolarHBondContact O-N 3.4Å
208L89.3Confident91.7Very high75 Ų7550.9 Ų50.939%0.39327%0.265SS..THydrogen-bonded Turntrans-94.4-3176.9-66175.3000113.4R204 A205 L206 Y210 L280R204-L208 HydrophobicContact CG-CD1 3.85Å; R204-L208 HydrophobicContact CG-CG 4.43Å; R204-L208 WeakPolarHBondContact O-CG 3.38Å; R204-L208 PolarHBondContact O-N 2.78Å; A205-L208 PolarHBondContact O-N 3.42Å; L206-L208 PolarHBondContact O-N 2.87Å; L208-Y210 VanDerWaalsContact C-N 3.33Å; L208-Y210 HydrophobicContact CB-CD1 4.13Å; L208-Y210 HydrophobicContact CB-CD2 4.05Å; L208-Y210 HydrophobicContact CB-CE1 4.03Å; L208-Y210 HydrophobicContact CB-CE2 3.94Å; L208-Y210 HydrophobicContact CB-CG 4.15Å; L208-Y210 HydrophobicContact CD1-CD2 4.28Å; L208-Y210 HydrophobicContact CD1-CE2 3.59Å; L208-Y210 HydrophobicContact CG-CE2 4.42Å; L208-L280 HydrophobicContact CD1-CD2 4.49Å
209G89.1Confident91.4Very high64 Ų6456.8 Ų56.866%0.6629%0.288SS*.THydrogen-bonded Turntrans68.927.9-177.600000113.9A205 L206A205-G209 PolarHBondContact O-N 3.19Å; A205-G209 VanDerWaalsContact O-N 3.08Å; L206-G209 PolarHBondContact O-N 3.26Å; L206-G209 VanDerWaalsContact O-N 3.13Å
210Y90.3Very high91.1Very high28 Ų2860.2 Ų60.211%0.1130%0.303CS..SBendtrans-83.4-27.8174.2-62.6-18.5000112.7A205 L208 L280 E283 K284A205-Y210 HydrophobicContact CB-CD2 4.46Å; A205-Y210 PolarHBondContact O-N 3.39Å; L208-Y210 VanDerWaalsContact C-N 3.33Å; L208-Y210 HydrophobicContact CB-CD1 4.13Å; L208-Y210 HydrophobicContact CB-CD2 4.05Å; L208-Y210 HydrophobicContact CB-CE1 4.03Å; L208-Y210 HydrophobicContact CB-CE2 3.94Å; L208-Y210 HydrophobicContact CB-CG 4.15Å; L208-Y210 HydrophobicContact CD1-CD2 4.28Å; L208-Y210 HydrophobicContact CD1-CE2 3.59Å; L208-Y210 HydrophobicContact CG-CE2 4.42Å; Y210-L280 WeakPolarHBondContact OH-CD2 3.23Å; Y210-E283 HydrophobicContact CE2-CB 3.7Å; Y210-E283 PolarHBondContact OH-OE2 3.08Å; Y210-K284 HydrophobicContact CD1-CG 4.15Å; Y210-K284 HydrophobicContact CE1-CD 4.43Å; Y210-K284 HydrophobicContact CE1-CG 3.6Å
211L91.9Very high90.8Very high8 Ų861.8 Ų61.84%0.04232%0.319CS..SBendtrans-130.2153.5174.9-61.8178.8000108.3A205 L206 M215 L223 T226 I227A205-L211 HydrophobicContact CB-CB 4.43Å; A205-L211 HydrophobicContact CB-CD1 3.85Å; A205-L211 HydrophobicContact CB-CG 3.96Å; L206-L211 HydrophobicContact CD2-CB 4.47Å; L211-M215 HydrophobicContact CB-SD 4.39Å; L211-M215 HydrophobicContact CD2-CE 3.89Å; L211-M215 HydrophobicContact CD2-SD 4.03Å; L211-L223 HydrophobicContact CD1-CD2 3.97Å; L211-L223 HydrophobicContact CD2-CD2 3.46Å; L211-L223 VanDerWaalsContact CD2-CD2 3.46Å; L211-L223 HydrophobicContact CG-CD2 4.31Å; L211-T226 HydrophobicContact CD2-CG2 3.9Å; L211-I227 HydrophobicContact CD1-CG1 4.48Å
212T90.4Very high90.5Very high65 Ų6562.7 Ų62.740%0.39933%0.327SS..  trans-99.2166.2164.478.10000110.6D214 M215T212-D214 VanDerWaalsContact C-N 3.3Å; T212-D214 VanDerWaalsContact CB-OD2 3.3Å; T212-D214 WeakPolarHBondContact CB-OD2 3.37Å; T212-D214 PolarHBondContact OG1-N 3.45Å; T212-D214 PolarHBondContact OG1-OD2 2.92Å; T212-M215 PolarHBondContact OG1-N 3.02Å
213Q90.7Very high90.4Very high57 Ų5762.8 Ų62.827%0.26633%0.327SS..Hα-helixtrans-67.5-35.7171.7-173.463.140.500110.7M215 I216 D217Q213-M215 VanDerWaalsContact C-N 3.3Å; Q213-M215 PolarHBondContact O-N 3.12Å; Q213-I216 WeakPolarHBondContact O-CA 3.33Å; Q213-I216 WeakPolarHBondContact O-CB 3.47Å; Q213-I216 PolarHBondContact O-N 3.11Å; Q213-D217 WeakPolarHBondContact CG-OD2 3.42Å; Q213-D217 PolarHBondContact NE2-OD1 3.05Å; Q213-D217 PolarHBondContact O-N 3.02Å
214D89.4Confident90.2Very high105 Ų10562.6 Ų62.656%0.56133%0.327SS*.Hα-helixtrans-57.6-42.4180-30.3-73.9000111.3T212 I216 D217 D218T212-D214 VanDerWaalsContact C-N 3.3Å; T212-D214 VanDerWaalsContact CB-OD2 3.3Å; T212-D214 WeakPolarHBondContact CB-OD2 3.37Å; T212-D214 PolarHBondContact OG1-N 3.45Å; T212-D214 PolarHBondContact OG1-OD2 2.92Å; D214-I216 PolarHBondContact O-N 3.12Å; D214-D217 PolarHBondContact O-N 3.04Å; D214-D218 WeakPolarHBondContact O-CB 3.29Å; D214-D218 PolarHBondContact O-N 3.33Å
215M88.8Confident90.1Very high41 Ų4164.5 Ų64.520%0.20234%0.337CS..Hα-helixtrans-57.9-33.1175.6-63.4171.781.900113.1L211 T212 Q213 Y219 E220 L223L211-M215 HydrophobicContact CB-SD 4.39Å; L211-M215 HydrophobicContact CD2-CE 3.89Å; L211-M215 HydrophobicContact CD2-SD 4.03Å; T212-M215 PolarHBondContact OG1-N 3.02Å; Q213-M215 VanDerWaalsContact C-N 3.3Å; Q213-M215 PolarHBondContact O-N 3.12Å; M215-Y219 PolarHBondContact O-N 3.33Å; M215-E220 HydrophobicContact CB-CB 4.34Å; M215-E220 HydrophobicContact CB-CG 4.37Å; M215-E220 WeakPolarHBondContact CE-OE2 3.32Å; M215-E220 PolarHBondContact O-N 2.78Å; M215-L223 HydrophobicContact CB-CD1 4.39Å; M215-L223 HydrophobicContact CB-CD2 4.34Å; M215-L223 HydrophobicContact CE-CD2 4.09Å; M215-L223 WeakPolarHBondContact O-CD1 3.38Å
216I89.7Confident90Very high2 Ų264.6 Ų64.61%0.0134%0.337CS..Hα-helixtrans-78.7-45.3-179.2-60.7171.4000109.6V202 L206 Q213 D214 Y219 L223 F855 M858V202-I216 HydrophobicContact CG1-CD1 3.48Å; V202-I216 VanDerWaalsContact CG1-CD1 3.48Å; V202-I216 HydrophobicContact CG1-CG1 4.42Å; L206-I216 HydrophobicContact CD1-CD1 3.78Å; L206-I216 HydrophobicContact CD2-CD1 3.85Å; L206-I216 HydrophobicContact CG-CD1 4.04Å; Q213-I216 WeakPolarHBondContact O-CA 3.33Å; Q213-I216 WeakPolarHBondContact O-CB 3.47Å; Q213-I216 PolarHBondContact O-N 3.11Å; D214-I216 PolarHBondContact O-N 3.12Å; I216-Y219 PolarHBondContact O-N 2.96Å; I216-L223 HydrophobicContact CG1-CD1 4.13Å; I216-F855 HydrophobicContact CG2-CD1 3.99Å; I216-F855 HydrophobicContact CG2-CE1 4.48Å; I216-M858 HydrophobicContact CG2-CB 4.11Å
217D88.5Confident90.2Very high70 Ų7062.4 Ų62.437%0.37433%0.326SS..Hα-helixtrans-72.8-33.5-176.5-65.5-8.4000112.1Q213 D214 Y219Q213-D217 WeakPolarHBondContact CG-OD2 3.42Å; Q213-D217 PolarHBondContact NE2-OD1 3.05Å; Q213-D217 PolarHBondContact O-N 3.02Å; D214-D217 PolarHBondContact O-N 3.04Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-Y219 VanDerWaalsContact O-CD2 3.24Å; D217-Y219 WeakPolarHBondContact O-CD2 3.43Å; D217-Y219 WeakPolarHBondContact O-CE2 3.41Å
218D88.8Confident90.3Very high135 Ų13554.2 Ų54.272%0.72230%0.295SS*.THydrogen-bonded Turntrans-83.7-0.4171.9-77.4-32.7000113.5D214D214-D218 WeakPolarHBondContact O-CB 3.29Å; D214-D218 PolarHBondContact O-N 3.33Å
219Y88.3Confident90.6Very high126 Ų12651 Ų5149%0.49428%0.277SS..THydrogen-bonded Turntrans54.749.2-179.7-63.7-106.2000113.9M215 I216 D217 F855M215-Y219 PolarHBondContact O-N 3.33Å; I216-Y219 PolarHBondContact O-N 2.96Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-Y219 VanDerWaalsContact O-CD2 3.24Å; D217-Y219 WeakPolarHBondContact O-CD2 3.43Å; D217-Y219 WeakPolarHBondContact O-CE2 3.41Å; Y219-F855 HydrophobicContact CD1-CB 4.1Å; Y219-F855 AromaticContact CD1-CD2 3.58Å; Y219-F855 HydrophobicContact CD1-CD2 3.58Å; Y219-F855 HydrophobicContact CD1-CE2 4.17Å; Y219-F855 AromaticContact CD1-CG 3.91Å; Y219-F855 HydrophobicContact CD1-CG 3.91Å; Y219-F855 HydrophobicContact CE1-CB 3.44Å; Y219-F855 VanDerWaalsContact CE1-CB 3.44Å; Y219-F855 AromaticContact CE1-CD2 3.74Å; Y219-F855 HydrophobicContact CE1-CD2 3.74Å; Y219-F855 AromaticContact CE1-CG 3.79Å; Y219-F855 HydrophobicContact CE1-CG 3.79Å
220E89.9Confident90.9Very high84 Ų8448 Ų4839%0.39325%0.247SC..  trans-56.9131.7-173.8-92.6-150.2156.100113.3M215 A222 L223M215-E220 HydrophobicContact CB-CB 4.34Å; M215-E220 HydrophobicContact CB-CG 4.37Å; M215-E220 WeakPolarHBondContact CE-OE2 3.32Å; M215-E220 PolarHBondContact O-N 2.78Å; E220-A222 PolarHBondContact O-N 3.27Å; E220-A222 VanDerWaalsContact O-N 3.09Å; E220-L223 HydrophobicContact CB-CG 4.26Å; E220-L223 VanDerWaalsContact O-CB 3.31Å; E220-L223 WeakPolarHBondContact O-CB 3.29Å; E220-L223 WeakPolarHBondContact O-CG 3.17Å; E220-L223 PolarHBondContact O-N 3.28Å
221P88.3Confident91.2Very high102 Ų10246.7 Ų46.766%0.66224%0.242SC*.THydrogen-bonded Turntrans-56.6-29.5179.8-2835.5000114.7L223 M224P221-L223 PolarHBondContact O-N 2.87Å; P221-M224 WeakPolarHBondContact O-CB 3.47Å; P221-M224 PolarHBondContact O-N 3.07Å
222A88.9Confident91.4Very high22 Ų2246.4 Ų46.418%0.18224%0.24CC..THydrogen-bonded Turntrans-58.8-30.9176.400000112.8E220 M224 F225 T226E220-A222 PolarHBondContact O-N 3.27Å; E220-A222 VanDerWaalsContact O-N 3.09Å; A222-M224 PolarHBondContact O-N 3.11Å; A222-F225 PolarHBondContact O-N 3.08Å; A222-T226 PolarHBondContact O-N 3.15Å; A222-T226 PolarHBondContact O-OG1 3.3Å
223L91.1Very high91.6Very high1 Ų143.3 Ų43.31%0.00522%0.221CC..Hα-helixtrans-62-26.6179.4-62.5-170.1000113.1L211 M215 I216 E220 P221 F225 I227 F855L211-L223 HydrophobicContact CD1-CD2 3.97Å; L211-L223 HydrophobicContact CD2-CD2 3.46Å; L211-L223 VanDerWaalsContact CD2-CD2 3.46Å; L211-L223 HydrophobicContact CG-CD2 4.31Å; M215-L223 HydrophobicContact CB-CD1 4.39Å; M215-L223 HydrophobicContact CB-CD2 4.34Å; M215-L223 HydrophobicContact CE-CD2 4.09Å; M215-L223 WeakPolarHBondContact O-CD1 3.38Å; I216-L223 HydrophobicContact CG1-CD1 4.13Å; E220-L223 HydrophobicContact CB-CG 4.26Å; E220-L223 VanDerWaalsContact O-CB 3.31Å; E220-L223 WeakPolarHBondContact O-CB 3.29Å; E220-L223 WeakPolarHBondContact O-CG 3.17Å; E220-L223 PolarHBondContact O-N 3.28Å; P221-L223 PolarHBondContact O-N 2.87Å; L223-F225 PolarHBondContact O-N 3.49Å; L223-I227 HydrophobicContact CB-CD1 3.88Å; L223-I227 HydrophobicContact CB-CG1 4.26Å; L223-I227 HydrophobicContact CD1-CD1 4.38Å; L223-I227 WeakPolarHBondContact O-CB 3.45Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 2.94Å; L223-F855 HydrophobicContact CB-CZ 4.17Å; L223-F855 HydrophobicContact CD1-CE1 3.74Å; L223-F855 HydrophobicContact CD1-CZ 4.06Å
224M89.8Confident91.7Very high71 Ų7140.6 Ų40.635%0.3521%0.208SC..Hα-helixtrans-61.4-28174.1-66.9-166.364.100112.7P221 A222 P228 Q840 L851P221-M224 WeakPolarHBondContact O-CB 3.47Å; P221-M224 PolarHBondContact O-N 3.07Å; A222-M224 PolarHBondContact O-N 3.11Å; M224-P228 VanDerWaalsContact O-CD 3.26Å; M224-P228 WeakPolarHBondContact O-CD 3.43Å; M224-P228 WeakPolarHBondContact O-CG 3.35Å; M224-Q840 VanDerWaalsContact C-NE2 3.32Å; M224-Q840 PolarHBondContact O-NE2 2.93Å; M224-L851 HydrophobicContact CG-CD1 4.22Å
225F90.5Very high91.9Very high78 Ų7835.6 Ų35.634%0.34218%0.182SC..Hα-helixtrans-95.2-46.3177.6-58-92.1000111.3A222 L223 P228 R229A222-F225 PolarHBondContact O-N 3.08Å; L223-F225 PolarHBondContact O-N 3.49Å; F225-P228 WeakPolarHBondContact O-CD 3.49Å; F225-R229 WeakPolarHBondContact O-CB 3.43Å; F225-R229 WeakPolarHBondContact O-CD 3.39Å; F225-R229 WeakPolarHBondContact O-CG 3.12Å; F225-R229 PolarHBondContact O-N 3Å
226T92.9Very high92Very high3 Ų333.9 Ų33.92%0.01817%0.173CC..Hα-helixtrans-67.4-43.8-174.4-61.40000112.8L211 A222 R229 L230 C287L211-T226 HydrophobicContact CD2-CG2 3.9Å; A222-T226 PolarHBondContact O-N 3.15Å; A222-T226 PolarHBondContact O-OG1 3.3Å; T226-R229 PolarHBondContact O-N 3.09Å; T226-L230 HydrophobicContact CG2-CD1 3.82Å; T226-L230 HydrophobicContact CG2-CG 4.23Å; T226-L230 WeakPolarHBondContact O-CB 3.3Å; T226-L230 WeakPolarHBondContact O-CG 3.45Å; T226-L230 PolarHBondContact O-N 2.72Å; T226-C287 HydrophobicContact CG2-CB 3.91Å; T226-C287 PolarHBondContact OG1-O 2.97Å
227I94.9Very high92.1Very high1 Ų136.1 Ų36.11%0.00519%0.187CC..Hα-helixtrans-64.1-49.7-176-61.6174.4000111.7F198 V202 L211 L223 R229 L230 A231 L851 L854 F855F198-I227 HydrophobicContact CB-CG2 4.44Å; F198-I227 HydrophobicContact CD1-CG2 3.6Å; F198-I227 HydrophobicContact CE1-CG2 4.12Å; F198-I227 HydrophobicContact CG-CG2 4.2Å; V202-I227 HydrophobicContact CG2-CD1 3.72Å; V202-I227 HydrophobicContact CG2-CG1 3.84Å; V202-I227 HydrophobicContact CG2-CG2 3.98Å; L211-I227 HydrophobicContact CD1-CG1 4.48Å; L223-I227 HydrophobicContact CB-CD1 3.88Å; L223-I227 HydrophobicContact CB-CG1 4.26Å; L223-I227 HydrophobicContact CD1-CD1 4.38Å; L223-I227 WeakPolarHBondContact O-CB 3.45Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 2.94Å; I227-R229 PolarHBondContact O-N 2.99Å; I227-L230 PolarHBondContact O-N 2.98Å; I227-A231 VanDerWaalsContact O-CB 3.25Å; I227-A231 WeakPolarHBondContact O-CB 3.4Å; I227-A231 PolarHBondContact O-N 2.78Å; I227-L851 HydrophobicContact CB-CD2 4.33Å; I227-L851 HydrophobicContact CD1-CD2 4.06Å; I227-L851 HydrophobicContact CG2-CD2 4.24Å; I227-L854 HydrophobicContact CD1-CD2 4.24Å; I227-L854 HydrophobicContact CG2-CD1 4.45Å; I227-F855 HydrophobicContact CD1-CE1 4.02Å; I227-F855 HydrophobicContact CD1-CZ 4.2Å
228P95.3Very high92Very high1 Ų135.5 Ų35.51%0.00619%0.185CC..Hα-helixtrans-64.2-37.3178.7-24.336.6000113.5F198 M224 F225 A231 I232 A836 L847F198-P228 HydrophobicContact CE1-CB 4.47Å; F198-P228 HydrophobicContact CE1-CG 4.11Å; F198-P228 HydrophobicContact CZ-CB 4.27Å; F198-P228 HydrophobicContact CZ-CG 4.39Å; M224-P228 VanDerWaalsContact O-CD 3.26Å; M224-P228 WeakPolarHBondContact O-CD 3.43Å; M224-P228 WeakPolarHBondContact O-CG 3.35Å; F225-P228 WeakPolarHBondContact O-CD 3.49Å; P228-A231 PolarHBondContact O-N 2.74Å; P228-I232 WeakPolarHBondContact O-CG1 3.37Å; P228-I232 PolarHBondContact O-N 2.73Å; P228-I232 VanDerWaalsContact O-N 3.11Å; P228-A836 HydrophobicContact CB-CB 4.14Å; P228-L847 HydrophobicContact CG-CD1 4.01Å; P228-L847 HydrophobicContact CG-CD2 4.29Å
229R95.9Very high92.1Very high6 Ų631.7 Ų31.72%0.02316%0.161CC..Hα-helixtrans-63.1-46177.3-73173.9-173.4-173.6-3.6111.6F225 T226 I227 L286 I832 A836 D837F225-R229 WeakPolarHBondContact O-CB 3.43Å; F225-R229 WeakPolarHBondContact O-CD 3.39Å; F225-R229 WeakPolarHBondContact O-CG 3.12Å; F225-R229 PolarHBondContact O-N 3Å; T226-R229 PolarHBondContact O-N 3.09Å; I227-R229 PolarHBondContact O-N 2.99Å; R229-L286 HydrophobicContact CB-CB 4.25Å; R229-L286 HydrophobicContact CB-CD2 4.14Å; R229-L286 HydrophobicContact CG-CD2 4.45Å; R229-I832 HydrophobicContact CB-CG2 4.4Å; R229-I832 WeakPolarHBondContact O-CG2 3.45Å; R229-A836 HydrophobicContact CB-CB 4.47Å; R229-A836 HydrophobicContact CG-CB 3.45Å; R229-A836 VanDerWaalsContact CG-CB 3.45Å; R229-D837 IonicContact CZ-OD1 2.95Å; R229-D837 IonicContact NE-OD1 3.26Å; R229-D837 PolarHBondContact NE-OD1 3.35Å; R229-D837 VanDerWaalsContact NH2-CG 3.34Å; R229-D837 IonicContact NH2-OD1 2.98Å; R229-D837 PolarHBondContact NH2-OD1 2.99Å; R229-D837 IonicContact NH2-OD2 3.94Å; R229-D837 PolarHBondContact NH2-OD2 3.18Å; R229-D837 VanDerWaalsContact NH2-OD2 3.11Å
230L95.3Very high91.8Very high3 Ų329 Ų292%0.01616%0.159CC..Hα-helixtrans-68-35.7174-69.4179.5000112.7T201 A205 T226 I227 I232 V233 C234 E283T201-L230 HydrophobicContact CG2-CB 3.52Å; A205-L230 HydrophobicContact CB-CD1 3.92Å; T226-L230 HydrophobicContact CG2-CD1 3.82Å; T226-L230 HydrophobicContact CG2-CG 4.23Å; T226-L230 WeakPolarHBondContact O-CB 3.3Å; T226-L230 WeakPolarHBondContact O-CG 3.45Å; T226-L230 PolarHBondContact O-N 2.72Å; I227-L230 PolarHBondContact O-N 2.98Å; L230-I232 VanDerWaalsContact C-N 3.33Å; L230-I232 PolarHBondContact O-N 3.25Å; L230-V233 PolarHBondContact O-N 3.03Å; L230-C234 WeakPolarHBondContact O-CB 3.17Å; L230-C234 PolarHBondContact O-N 2.92Å; L230-C234 PolarHBondContact O-SG 2.83Å; L230-E283 HydrophobicContact CD2-CB 4.1Å; L230-E283 HydrophobicContact CD2-CG 4.38Å
231A95.9Very high91.5Very high0 Ų031.6 Ų31.60%017%0.171CC..Hα-helixtrans-67.5-33.2-178.100000112.5F198 T201 I227 P228 G235F198-A231 HydrophobicContact CD2-CB 3.63Å; F198-A231 HydrophobicContact CE2-CB 3.53Å; F198-A231 HydrophobicContact CG-CB 4.29Å; F198-A231 HydrophobicContact CZ-CB 4.12Å; T201-A231 HydrophobicContact CG2-CB 4.16Å; T201-A231 WeakPolarHBondContact OG1-CA 3.45Å; I227-A231 VanDerWaalsContact O-CB 3.25Å; I227-A231 WeakPolarHBondContact O-CB 3.4Å; I227-A231 PolarHBondContact O-N 2.78Å; P228-A231 PolarHBondContact O-N 2.74Å; A231-G235 PolarHBondContact O-N 2.9Å
232I95.7Very high91.4Very high1 Ų127.6 Ų27.61%0.00515%0.149CC..Hα-helixtrans-61.6-47170.8-68.6162.4000110.4P228 L230 L236 F257 L264 I832 V835 A836 L839P228-I232 WeakPolarHBondContact O-CG1 3.37Å; P228-I232 PolarHBondContact O-N 2.73Å; P228-I232 VanDerWaalsContact O-N 3.11Å; L230-I232 VanDerWaalsContact C-N 3.33Å; L230-I232 PolarHBondContact O-N 3.25Å; I232-L236 HydrophobicContact CG2-CD1 3.94Å; I232-L236 WeakPolarHBondContact O-CB 3.44Å; I232-L236 WeakPolarHBondContact O-CG 3.41Å; I232-L236 PolarHBondContact O-N 3.38Å; I232-L236 VanDerWaalsContact O-N 3.14Å; I232-F257 HydrophobicContact CG1-CE1 4.25Å; I232-L264 HydrophobicContact CG2-CD2 3.94Å; I232-I832 HydrophobicContact CB-CG2 4.15Å; I232-I832 HydrophobicContact CD1-CG2 4.27Å; I232-I832 HydrophobicContact CG2-CG1 4.31Å; I232-I832 HydrophobicContact CG2-CG2 4.12Å; I232-V835 HydrophobicContact CD1-CB 4.1Å; I232-V835 HydrophobicContact CD1-CG1 3.78Å; I232-A836 HydrophobicContact CD1-CB 4.2Å; I232-L839 HydrophobicContact CD1-CD1 4.42Å
233V94.9Very high91.4Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-64.2-47.4177.5-179.60000111L230 G235 L236 V237 L279 E283 L286 I832L230-V233 PolarHBondContact O-N 3.03Å; V233-G235 PolarHBondContact O-N 3.02Å; V233-L236 PolarHBondContact O-N 2.76Å; V233-V237 WeakPolarHBondContact O-CB 3.32Å; V233-V237 PolarHBondContact O-N 3.08Å; V233-L279 HydrophobicContact CG1-CD1 3.78Å; V233-E283 HydrophobicContact CG1-CG 4.05Å; V233-E283 WeakPolarHBondContact CG1-OE1 3.48Å; V233-L286 HydrophobicContact CG2-CD1 3.56Å; V233-I832 HydrophobicContact CG2-CD1 3.79Å
234C93.3Very high91.3Very high1 Ų127.2 Ų27.21%0.00714%0.144CC..Iπ-helixtrans-62.1-45.7-178.9-67.70000111.7L197 T201 R204 L230 L236 V238 Y239L197-C234 HydrophobicContact CD1-CB 4.32Å; T201-C234 HydrophobicContact CG2-CB 4.46Å; T201-C234 WeakPolarHBondContact OG1-CB 3.41Å; R204-C234 PolarHBondContact NH1-SG 3.06Å; R204-C234 VanDerWaalsContact NH1-SG 3.41Å; L230-C234 WeakPolarHBondContact O-CB 3.17Å; L230-C234 PolarHBondContact O-N 2.92Å; L230-C234 PolarHBondContact O-SG 2.83Å; C234-L236 VanDerWaalsContact C-N 3.35Å; C234-L236 PolarHBondContact O-N 3.18Å; C234-V238 CarbonylContact O-C 3.56Å; C234-V238 WeakPolarHBondContact O-CA 3.35Å; C234-V238 WeakPolarHBondContact O-CB 3.32Å; C234-V238 PolarHBondContact O-N 2.99Å; C234-Y239 HydrophobicContact CB-CD2 4.07Å; C234-Y239 HydrophobicContact CB-CE2 4.26Å; C234-Y239 PolarHBondContact O-N 2.65Å
235G92.5Very high91.1Very high0 Ų024.7 Ų24.70%013%0.132CC..Iπ-helixtrans-73.3-21.3-179.600000114.8A231 V233A231-G235 PolarHBondContact O-N 2.9Å; V233-G235 PolarHBondContact O-N 3.02Å
236L92.8Very high91Very high4 Ų421.1 Ų21.12%0.02112%0.117CC..Iπ-helixtrans-89.2-23.8176-66.9-178.5000114.2I232 V233 C234 L244 L246 L264 I267 R268 L271I232-L236 HydrophobicContact CG2-CD1 3.94Å; I232-L236 WeakPolarHBondContact O-CB 3.44Å; I232-L236 WeakPolarHBondContact O-CG 3.41Å; I232-L236 PolarHBondContact O-N 3.38Å; I232-L236 VanDerWaalsContact O-N 3.14Å; V233-L236 PolarHBondContact O-N 2.76Å; C234-L236 VanDerWaalsContact C-N 3.35Å; C234-L236 PolarHBondContact O-N 3.18Å; L236-L244 HydrophobicContact CD2-CB 4.21Å; L236-L244 HydrophobicContact CG-CD1 4.44Å; L236-L246 HydrophobicContact CD2-CD1 3.66Å; L236-L246 HydrophobicContact CD2-CD2 4.1Å; L236-L246 HydrophobicContact CD2-CG 3.89Å; L236-L264 HydrophobicContact CD1-CD2 4.02Å; L236-L264 HydrophobicContact CD2-CB 4.44Å; L236-I267 HydrophobicContact CD1-CB 4.22Å; L236-I267 HydrophobicContact CD1-CG2 3.75Å; L236-R268 HydrophobicContact CB-CB 4.28Å; L236-R268 HydrophobicContact CB-CG 4.36Å; L236-R268 HydrophobicContact CD1-CB 4.27Å; L236-R268 HydrophobicContact CD2-CB 4.22Å; L236-R268 HydrophobicContact CG-CB 4.5Å; L236-L271 HydrophobicContact CB-CD1 4.31Å; L236-L271 HydrophobicContact CD1-CD1 4.32Å
237V89.9Confident90.5Very high50 Ų5026.2 Ų26.230%0.30314%0.144SC..Iπ-helixtrans-123-44.6-171.8-174.60000113.3V233 L271 L279V233-V237 WeakPolarHBondContact O-CB 3.32Å; V233-V237 PolarHBondContact O-N 3.08Å; V237-L271 HydrophobicContact CG2-CB 3.75Å; V237-L271 HydrophobicContact CG2-CD1 3.77Å; V237-L271 HydrophobicContact CG2-CG 4.28Å; V237-L279 HydrophobicContact CG1-CD2 4.2Å
238V87.6Confident89.9Confident56 Ų5630.2 Ų30.234%0.33916%0.159SC..Iπ-helixtrans-89.1-39.1-173.8-174.40000111.4C234 P240C234-V238 CarbonylContact O-C 3.56Å; C234-V238 WeakPolarHBondContact O-CA 3.35Å; C234-V238 WeakPolarHBondContact O-CB 3.32Å; C234-V238 PolarHBondContact O-N 2.99Å; V238-P240 WeakPolarHBondContact O-CD 3.15Å
239Y89.8Confident89.4Confident55 Ų5535.8 Ų35.822%0.21618%0.183CC..  trans-122.556.2-176.1-55.6-74.6000112L197 E200 C234 E241 G242L197-Y239 HydrophobicContact CD1-CD2 3.88Å; L197-Y239 HydrophobicContact CD1-CG 4.42Å; E200-Y239 HydrophobicContact CB-CE1 4.46Å; E200-Y239 HydrophobicContact CB-CE2 3.96Å; E200-Y239 WeakPolarHBondContact OE2-CE1 3.38Å; C234-Y239 HydrophobicContact CB-CD2 4.07Å; C234-Y239 HydrophobicContact CB-CE2 4.26Å; C234-Y239 PolarHBondContact O-N 2.65Å; Y239-E241 PolarHBondContact O-N 2.81Å; Y239-G242 PolarHBondContact O-N 3.1Å
240P83.6Confident88.7Confident69 Ų6938 Ų3845%0.44820%0.2SC..THydrogen-bonded Turntrans-63.6-16-173.128.4-37.2000114.2V238 N245V238-P240 WeakPolarHBondContact O-CD 3.15Å; P240-N245 WeakPolarHBondContact O-CA 3.25Å; P240-N245 WeakPolarHBondContact O-CB 3.36Å; P240-N245 PolarHBondContact O-ND2 2.86Å
241E83.8Confident88Confident139 Ų13944.1 Ų44.165%0.6523%0.228SC*.THydrogen-bonded Turntrans-90.9-3.1175.4-63.7-58.7163.200114.3Y239 N245 R248Y239-E241 PolarHBondContact O-N 2.81Å; E241-N245 PolarHBondContact OE2-ND2 3.4Å; E241-R248 PolarHBondContact O-NH2 3.4Å
242G86Confident87.3Confident19 Ų1948.3 Ų48.320%0.19625%0.251CS..SBendtrans-79.5-158.3-179.500000114.5Y239 L244 N245Y239-G242 PolarHBondContact O-N 3.1Å; G242-L244 PolarHBondContact O-N 3.42Å; G242-L244 VanDerWaalsContact O-N 3.12Å; G242-N245 VanDerWaalsContact O-CB 3.29Å; G242-N245 WeakPolarHBondContact O-CB 3.38Å; G242-N245 PolarHBondContact O-N 2.7Å
243P87.3Confident86.8Confident12 Ų1248.5 Ų48.58%0.07825%0.251CS..THydrogen-bonded Turntrans-67.3-14.5-175.728.9-37.8000114E193 V194 L197E193-P243 HydrophobicContact CB-CB 3.83Å; E193-P243 HydrophobicContact CB-CG 4.2Å; E193-P243 WeakPolarHBondContact O-CG 3.33Å; V194-P243 HydrophobicContact CG2-CB 3.85Å; V194-P243 HydrophobicContact CG2-CG 4.15Å; L197-P243 HydrophobicContact CB-CG 3.84Å; L197-P243 HydrophobicContact CD2-CG 3.74Å; L197-P243 HydrophobicContact CG-CG 4.42Å
244L89.2Confident86.5Confident2 Ų249.1 Ų49.11%0.0126%0.256CS..THydrogen-bonded Turntrans-96.216.1172.6-70.1-173.9000113.3L197 L236 G242 L246 F257 L264L197-L244 HydrophobicContact CD2-CD1 4.04Å; L197-L244 HydrophobicContact CD2-CG 4.05Å; L236-L244 HydrophobicContact CD2-CB 4.21Å; L236-L244 HydrophobicContact CG-CD1 4.44Å; G242-L244 PolarHBondContact O-N 3.42Å; G242-L244 VanDerWaalsContact O-N 3.12Å; L244-L246 VanDerWaalsContact O-CD2 3.25Å; L244-L246 WeakPolarHBondContact O-CD2 3.37Å; L244-L246 VanDerWaalsContact O-CG 3.28Å; L244-L246 WeakPolarHBondContact O-CG 3.47Å; L244-L246 PolarHBondContact O-N 3.34Å; L244-F257 HydrophobicContact CD2-CB 3.75Å; L244-F257 HydrophobicContact CD2-CD1 3.65Å; L244-F257 HydrophobicContact CD2-CD2 3.69Å; L244-F257 HydrophobicContact CD2-CE1 4.07Å; L244-F257 HydrophobicContact CD2-CE2 4.14Å; L244-F257 HydrophobicContact CD2-CG 3.42Å; L244-F257 VanDerWaalsContact CD2-CG 3.42Å; L244-F257 HydrophobicContact CD2-CZ 4.32Å; L244-L264 HydrophobicContact CD2-CD1 4.26Å
245N87.3Confident86.2Confident18 Ų1853.1 Ų53.110%0.09628%0.275CS..  trans-61.5102.3169.7-176.4-37000110P240 E241 G242 D247 R248P240-N245 WeakPolarHBondContact O-CA 3.25Å; P240-N245 WeakPolarHBondContact O-CB 3.36Å; P240-N245 PolarHBondContact O-ND2 2.86Å; E241-N245 PolarHBondContact OE2-ND2 3.4Å; G242-N245 VanDerWaalsContact O-CB 3.29Å; G242-N245 WeakPolarHBondContact O-CB 3.38Å; G242-N245 PolarHBondContact O-N 2.7Å; N245-D247 PolarHBondContact O-N 2.98Å; N245-D247 WeakPolarHBondContact OD1-CA 3.38Å; N245-D247 PolarHBondContact OD1-N 2.84Å; N245-R248 HydrophobicContact CB-CG 4.01Å; N245-R248 PolarHBondContact OD1-N 2.97Å
246L86.7Confident85.9Confident3 Ų353.7 Ų53.72%0.01628%0.278CS..THydrogen-bonded Turntrans-78.1-3.9-175.4-50.8-175.6000113.6L236 L244 M253 R261 L264 K265 R268L236-L246 HydrophobicContact CD2-CD1 3.66Å; L236-L246 HydrophobicContact CD2-CD2 4.1Å; L236-L246 HydrophobicContact CD2-CG 3.89Å; L244-L246 VanDerWaalsContact O-CD2 3.25Å; L244-L246 WeakPolarHBondContact O-CD2 3.37Å; L244-L246 VanDerWaalsContact O-CG 3.28Å; L244-L246 WeakPolarHBondContact O-CG 3.47Å; L244-L246 PolarHBondContact O-N 3.34Å; L246-M253 HydrophobicContact CD2-CE 3.69Å; L246-R261 PolarHBondContact O-NE 2.88Å; L246-R261 PolarHBondContact O-NH2 3.07Å; L246-L264 HydrophobicContact CD1-CB 3.88Å; L246-L264 WeakPolarHBondContact CD1-O 3.42Å; L246-L264 HydrophobicContact CD2-CB 3.98Å; L246-L264 HydrophobicContact CD2-CD1 4.41Å; L246-K265 HydrophobicContact CB-CG 3.92Å; L246-K265 HydrophobicContact CD1-CB 4.15Å; L246-K265 HydrophobicContact CD1-CG 3.53Å; L246-K265 VanDerWaalsContact CD1-N 3.34Å; L246-K265 HydrophobicContact CG-CG 4.36Å; L246-K265 WeakPolarHBondContact O-CE 3.34Å; L246-K265 PolarHBondContact O-NZ 3.21Å; L246-R268 HydrophobicContact CD1-CB 4.22Å
247D83.3Confident85.9Confident110 Ų11053.6 Ų53.659%0.58828%0.277SS*.THydrogen-bonded Turntrans-101.9-14.1-176.5-54.6-35.2000111.6N245 K265 R268N245-D247 PolarHBondContact O-N 2.98Å; N245-D247 WeakPolarHBondContact OD1-CA 3.38Å; N245-D247 PolarHBondContact OD1-N 2.84Å; D247-K265 IonicContact OD1-NZ 3.53Å; D247-K265 PolarHBondContact OD1-NZ 3.11Å; D247-R268 VanDerWaalsContact CG-NH1 3.31Å; D247-R268 IonicContact OD1-CZ 2.82Å; D247-R268 IonicContact OD1-NH1 2.64Å; D247-R268 PolarHBondContact OD1-NH1 3.14Å; D247-R268 IonicContact OD2-NH1 2.73Å; D247-R268 PolarHBondContact OD2-NH1 3.2Å
248R82.9Confident85.9Confident85 Ų8554.9 Ų54.932%0.32128%0.277SS..SBendtrans-60.3165.7155.5-64.1180-169.7-173.74.4111.3E193 E241 N245 R261E193-R248 IonicContact OE1-NH1 2.91Å; E193-R248 IonicContact OE2-NH1 3.32Å; E193-R248 PolarHBondContact OE2-NH1 3.11Å; E241-R248 PolarHBondContact O-NH2 3.4Å; N245-R248 HydrophobicContact CB-CG 4.01Å; N245-R248 PolarHBondContact OD1-N 2.97Å; R248-R261 PolarHBondContact O-NH2 2.95Å
249K83.6Confident86.1Confident118 Ų11856 Ų5651%0.51329%0.285SS..  trans-64.3160.7173.5-59.6179168.8-172.10111.4E251 D252K249-E251 VanDerWaalsContact C-N 3.32Å; K249-E251 HydrophobicContact CB-CB 4.35Å; K249-E251 HydrophobicContact CD-CB 4.48Å; K249-E251 WeakPolarHBondContact CD-OE2 3.22Å; K249-E251 IonicContact NZ-OE2 3.49Å; K249-E251 PolarHBondContact NZ-OE2 3.48Å; K249-D252 WeakPolarHBondContact CB-OD2 3.49Å; K249-D252 PolarHBondContact O-N 2.87Å
250S81.8Confident86.3Confident54 Ų5454.2 Ų54.238%0.37828%0.278SS..SBendtrans-63.8-35.7168.541.70000112.8D252 M253 R258S250-D252 VanDerWaalsContact C-N 3.27Å; S250-D252 PolarHBondContact O-N 3.49Å; S250-M253 WeakPolarHBondContact O-CB 3.26Å; S250-M253 PolarHBondContact O-N 2.7Å; S250-R258 PolarHBondContact O-NE 3.1Å
251E80.3Confident86.7Confident131 Ų13154 Ų5461%0.61227%0.268SS*.THydrogen-bonded Turntrans-55.8-38.2176.7-69153.9-146.600113K249 M253K249-E251 VanDerWaalsContact C-N 3.32Å; K249-E251 HydrophobicContact CB-CB 4.35Å; K249-E251 HydrophobicContact CD-CB 4.48Å; K249-E251 WeakPolarHBondContact CD-OE2 3.22Å; K249-E251 IonicContact NZ-OE2 3.49Å; K249-E251 PolarHBondContact NZ-OE2 3.48Å; E251-M253 VanDerWaalsContact C-N 3.29Å; E251-M253 PolarHBondContact O-N 3.48Å
252D81.6Confident87Confident87 Ų8752.4 Ų52.447%0.46527%0.268SS..THydrogen-bonded Turntrans-86.61.7-176-51.9-53.3000112.8K249 S250K249-D252 WeakPolarHBondContact CB-OD2 3.49Å; K249-D252 PolarHBondContact O-N 2.87Å; S250-D252 VanDerWaalsContact C-N 3.27Å; S250-D252 PolarHBondContact O-N 3.49Å
253M85.1Confident87.3Confident5 Ų554.5 Ų54.53%0.02528%0.275CS..SBendtrans-101.9142.8-177.9-175.2177.3-72.100111.1L246 S250 E251 F257 R258 R261L246-M253 HydrophobicContact CD2-CE 3.69Å; S250-M253 WeakPolarHBondContact O-CB 3.26Å; S250-M253 PolarHBondContact O-N 2.7Å; E251-M253 VanDerWaalsContact C-N 3.29Å; E251-M253 PolarHBondContact O-N 3.48Å; M253-F257 HydrophobicContact CG-CB 4.41Å; M253-F257 HydrophobicContact SD-CB 4.37Å; M253-R258 PolarHBondContact O-NE 2.82Å; M253-R258 PolarHBondContact O-NH2 3.17Å; M253-R261 HydrophobicContact CE-CG 4.06Å; M253-R261 HydrophobicContact SD-CB 4.12Å; M253-R261 HydrophobicContact SD-CG 4.11Å
254S87.7Confident87.6Confident14 Ų1453.9 Ų53.910%0.09827%0.271CS..  trans-54.2138.7177-173.80000112.7L256 F257 R258S254-L256 PolarHBondContact O-N 3.49Å; S254-L256 VanDerWaalsContact O-N 3.09Å; S254-F257 PolarHBondContact O-N 3.49Å; S254-R258 PolarHBondContact O-N 3.15Å
255E87Confident87.7Confident84 Ų8456.4 Ų56.439%0.39328%0.282SS..THydrogen-bonded Turntrans-52.3-31.3174.9-57.6-55.5148.500112.7F257 R258 P259 Y843E255-F257 VanDerWaalsContact C-N 3.34Å; E255-F257 PolarHBondContact O-N 3.16Å; E255-R258 IonicContact OE1-CZ 4Å; E255-R258 IonicContact OE1-NH1 2.72Å; E255-R258 PolarHBondContact OE1-NH1 3.05Å; E255-R258 IonicContact OE1-NH2 3.65Å; E255-R258 PolarHBondContact OE1-NH2 3.31Å; E255-R258 IonicContact OE2-CZ 3.66Å; E255-R258 IonicContact OE2-NH1 2.9Å; E255-R258 PolarHBondContact OE2-NH1 2.89Å; E255-R258 IonicContact OE2-NH2 3.57Å; E255-P259 WeakPolarHBondContact O-CD 3.16Å; E255-Y843 PolarHBondContact O-OH 3.26Å
256L87.9Confident87.9Confident13 Ų1361.8 Ų61.87%0.06830%0.304CS..THydrogen-bonded Turntrans-54.7-48.3174.8-60.7177.3000112V194 S254 F260 L839 Y843 D846 I850V194-L256 HydrophobicContact CG1-CD1 4.34Å; S254-L256 PolarHBondContact O-N 3.49Å; S254-L256 VanDerWaalsContact O-N 3.09Å; L256-F260 WeakPolarHBondContact O-CD2 3.22Å; L256-F260 WeakPolarHBondContact O-CE2 3.4Å; L256-L839 HydrophobicContact CB-CD2 3.89Å; L256-L839 WeakPolarHBondContact O-CD2 3.35Å; L256-Y843 VanDerWaalsContact CD2-CB 3.41Å; L256-Y843 HydrophobicContact CD2-CD1 3.72Å; L256-Y843 HydrophobicContact CD2-CD2 4.32Å; L256-Y843 HydrophobicContact CD2-CG 3.57Å; L256-D846 HydrophobicContact CD2-CB 3.88Å; L256-I850 HydrophobicContact CD1-CD1 3.56Å
257F91.4Very high88.2Confident2 Ų261.8 Ų61.81%0.00930%0.304CS..THydrogen-bonded Turntrans-103-17.8-169.1-63.1-72.5000113.4V194 F198 I232 L244 M253 S254 E255 F260 R261 L264 L839V194-F257 HydrophobicContact CG1-CE2 4Å; V194-F257 HydrophobicContact CG2-CD2 4.45Å; V194-F257 HydrophobicContact CG2-CE2 4.05Å; F198-F257 HydrophobicContact CE2-CZ 4.34Å; I232-F257 HydrophobicContact CG1-CE1 4.25Å; L244-F257 HydrophobicContact CD2-CB 3.75Å; L244-F257 HydrophobicContact CD2-CD1 3.65Å; L244-F257 HydrophobicContact CD2-CD2 3.69Å; L244-F257 HydrophobicContact CD2-CE1 4.07Å; L244-F257 HydrophobicContact CD2-CE2 4.14Å; L244-F257 HydrophobicContact CD2-CG 3.42Å; L244-F257 VanDerWaalsContact CD2-CG 3.42Å; L244-F257 HydrophobicContact CD2-CZ 4.32Å; M253-F257 HydrophobicContact CG-CB 4.41Å; M253-F257 HydrophobicContact SD-CB 4.37Å; S254-F257 PolarHBondContact O-N 3.49Å; E255-F257 VanDerWaalsContact C-N 3.34Å; E255-F257 PolarHBondContact O-N 3.16Å; F257-F260 CarbonylContact O-C 3.55Å; F257-F260 PolarHBondContact O-N 3.2Å; F257-R261 PolarHBondContact O-N 2.79Å; F257-L264 HydrophobicContact CB-CD1 4.07Å; F257-L264 HydrophobicContact CD1-CD1 4.27Å; F257-L839 HydrophobicContact CD1-CD1 4.08Å; F257-L839 HydrophobicContact CD1-CD2 4.43Å; F257-L839 HydrophobicContact CE1-CD1 3.46Å; F257-L839 VanDerWaalsContact CE1-CD1 3.46Å; F257-L839 HydrophobicContact CE1-CD2 4.41Å; F257-L839 HydrophobicContact CZ-CD1 4.12Å
258R90.6Very high88.7Confident77 Ų7758.3 Ų58.329%0.29128%0.283SS..G310 helixtrans-55.9-43.4-178.1-166.8-172.7-63.1147.47.2114S250 M253 S254 E255 F260 R261S250-R258 PolarHBondContact O-NE 3.1Å; M253-R258 PolarHBondContact O-NE 2.82Å; M253-R258 PolarHBondContact O-NH2 3.17Å; S254-R258 PolarHBondContact O-N 3.15Å; E255-R258 IonicContact OE1-CZ 4Å; E255-R258 IonicContact OE1-NH1 2.72Å; E255-R258 PolarHBondContact OE1-NH1 3.05Å; E255-R258 IonicContact OE1-NH2 3.65Å; E255-R258 PolarHBondContact OE1-NH2 3.31Å; E255-R258 IonicContact OE2-CZ 3.66Å; E255-R258 IonicContact OE2-NH1 2.9Å; E255-R258 PolarHBondContact OE2-NH1 2.89Å; E255-R258 IonicContact OE2-NH2 3.57Å; R258-F260 PolarHBondContact O-N 3.13Å; R258-R261 WeakPolarHBondContact O-CB 3.4Å; R258-R261 PolarHBondContact O-N 3.3Å
259P92.3Very high89Confident79 Ų7957.2 Ų57.251%0.51328%0.283SS..G310 helixtrans-59.7-34.8175.7-22.132.4000112.5E255 Y843E255-P259 WeakPolarHBondContact O-CD 3.16Å; P259-Y843 WeakPolarHBondContact CG-OH 3.45Å
260F93Very high89.4Confident18 Ų1853.3 Ų53.38%0.07927%0.268CS..G310 helixtrans-86.9-2.7-175.5-51.4-66.4000113.5L256 F257 R258 T262 L263 L264 V835 Q838 L839 Y843L256-F260 WeakPolarHBondContact O-CD2 3.22Å; L256-F260 WeakPolarHBondContact O-CE2 3.4Å; F257-F260 CarbonylContact O-C 3.55Å; F257-F260 PolarHBondContact O-N 3.2Å; R258-F260 PolarHBondContact O-N 3.13Å; F260-T262 VanDerWaalsContact C-N 3.27Å; F260-T262 PolarHBondContact O-N 3.12Å; F260-L263 CarbonylContact O-C 3.6Å; F260-L263 WeakPolarHBondContact O-CA 3.24Å; F260-L263 WeakPolarHBondContact O-CB 3.44Å; F260-L263 PolarHBondContact O-N 3.23Å; F260-L264 HydrophobicContact CB-CD1 3.92Å; F260-L264 HydrophobicContact CB-CG 3.99Å; F260-L264 WeakPolarHBondContact O-CG 3.41Å; F260-L264 PolarHBondContact O-N 3.31Å; F260-V835 HydrophobicContact CB-CG1 4.21Å; F260-V835 HydrophobicContact CB-CG2 4.5Å; F260-V835 HydrophobicContact CD1-CG1 4.36Å; F260-V835 HydrophobicContact CD1-CG2 4.23Å; F260-V835 HydrophobicContact CD2-CG1 4.04Å; F260-V835 HydrophobicContact CG-CG1 3.92Å; F260-V835 HydrophobicContact CG-CG2 4.4Å; F260-Q838 HydrophobicContact CE1-CB 4.06Å; F260-Q838 HydrophobicContact CZ-CB 3.75Å; F260-L839 HydrophobicContact CD2-CD2 4.43Å; F260-L839 HydrophobicContact CE2-CD2 4.01Å; F260-L839 HydrophobicContact CE2-CG 4.35Å; F260-Y843 HydrophobicContact CE2-CE2 4.46Å
261R91.6Very high89.9Confident63 Ų6351 Ų5124%0.23825%0.252CS..Hα-helixtrans-49.5-40.4-171.4-174.7172.6179.9-96.310.9114.3L246 R248 M253 F257 R258 K265L246-R261 PolarHBondContact O-NE 2.88Å; L246-R261 PolarHBondContact O-NH2 3.07Å; R248-R261 PolarHBondContact O-NH2 2.95Å; M253-R261 HydrophobicContact CE-CG 4.06Å; M253-R261 HydrophobicContact SD-CB 4.12Å; M253-R261 HydrophobicContact SD-CG 4.11Å; F257-R261 PolarHBondContact O-N 2.79Å; R258-R261 WeakPolarHBondContact O-CB 3.4Å; R258-R261 PolarHBondContact O-N 3.3Å; R261-K265 PolarHBondContact O-N 2.79Å
262T90.9Very high90.3Very high106 Ų10648.3 Ų48.365%0.6524%0.239SC*.Hα-helixtrans-71.1-38.3178.3-53.70000112.6F260 K265 K266F260-T262 VanDerWaalsContact C-N 3.27Å; F260-T262 PolarHBondContact O-N 3.12Å; T262-K265 PolarHBondContact O-N 3.13Å; T262-K266 PolarHBondContact O-N 3.1Å
263L92.3Very high90.7Very high63 Ų6344.7 Ų44.733%0.3322%0.22SC..Hα-helixtrans-71-40.9174.6177.956.2000111F260 K265 K266 I267 V835F260-L263 CarbonylContact O-C 3.6Å; F260-L263 WeakPolarHBondContact O-CA 3.24Å; F260-L263 WeakPolarHBondContact O-CB 3.44Å; F260-L263 PolarHBondContact O-N 3.23Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.48Å; L263-K266 PolarHBondContact O-N 2.92Å; L263-K266 VanDerWaalsContact O-N 3.15Å; L263-I267 HydrophobicContact CD1-CD1 4.23Å; L263-I267 HydrophobicContact CD1-CG1 4.31Å; L263-I267 HydrophobicContact CG-CD1 3.93Å; L263-I267 HydrophobicContact CG-CG1 4.47Å; L263-I267 WeakPolarHBondContact O-CG1 3.5Å; L263-I267 PolarHBondContact O-N 3.35Å; L263-V835 HydrophobicContact CD2-CG2 3.55Å; L263-V835 HydrophobicContact CG-CG2 4.21Å
264L93.9Very high90.9Very high0 Ų045.7 Ų45.70%023%0.225CC..Hα-helixtrans-60.5-35.2174.1-68.8168.7000112I232 L236 L244 L246 F257 F260 I267 R268I232-L264 HydrophobicContact CG2-CD2 3.94Å; L236-L264 HydrophobicContact CD1-CD2 4.02Å; L236-L264 HydrophobicContact CD2-CB 4.44Å; L244-L264 HydrophobicContact CD2-CD1 4.26Å; L246-L264 HydrophobicContact CD1-CB 3.88Å; L246-L264 WeakPolarHBondContact CD1-O 3.42Å; L246-L264 HydrophobicContact CD2-CB 3.98Å; L246-L264 HydrophobicContact CD2-CD1 4.41Å; F257-L264 HydrophobicContact CB-CD1 4.07Å; F257-L264 HydrophobicContact CD1-CD1 4.27Å; F260-L264 HydrophobicContact CB-CD1 3.92Å; F260-L264 HydrophobicContact CB-CG 3.99Å; F260-L264 WeakPolarHBondContact O-CG 3.41Å; F260-L264 PolarHBondContact O-N 3.31Å; L264-I267 PolarHBondContact O-N 2.93Å; L264-R268 VanDerWaalsContact O-CB 3.29Å; L264-R268 WeakPolarHBondContact O-CB 3.47Å; L264-R268 PolarHBondContact O-N 3.3Å
265K91.5Very high91.1Very high55 Ų5548.1 Ų48.124%0.23924%0.24CC..Hα-helixtrans-63-50.7171.3-76.2-165.9-174.1-115.60111L246 D247 R261 T262 L263 I267 R268 D269L246-K265 HydrophobicContact CB-CG 3.92Å; L246-K265 HydrophobicContact CD1-CB 4.15Å; L246-K265 HydrophobicContact CD1-CG 3.53Å; L246-K265 VanDerWaalsContact CD1-N 3.34Å; L246-K265 HydrophobicContact CG-CG 4.36Å; L246-K265 WeakPolarHBondContact O-CE 3.34Å; L246-K265 PolarHBondContact O-NZ 3.21Å; D247-K265 IonicContact OD1-NZ 3.53Å; D247-K265 PolarHBondContact OD1-NZ 3.11Å; R261-K265 PolarHBondContact O-N 2.79Å; T262-K265 PolarHBondContact O-N 3.13Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.48Å; K265-I267 VanDerWaalsContact C-N 3.31Å; K265-I267 PolarHBondContact O-N 2.83Å; K265-R268 WeakPolarHBondContact O-CB 3.47Å; K265-R268 PolarHBondContact O-N 3.42Å; K265-D269 WeakPolarHBondContact O-CB 3.25Å; K265-D269 PolarHBondContact O-N 3.4Å
266K90.4Very high91.1Very high131 Ų13151.6 Ų51.657%0.5726%0.256SS*.Hα-helixtrans-56.4-42.6175.4-66.5-177.8178-174.70112.2T262 L263 L270T262-K266 PolarHBondContact O-N 3.1Å; L263-K266 PolarHBondContact O-N 2.92Å; L263-K266 VanDerWaalsContact O-N 3.15Å; K266-L270 WeakPolarHBondContact O-CB 3.49Å; K266-L270 VanDerWaalsContact O-CG 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.41Å; K266-L270 PolarHBondContact O-N 3.07Å; K266-L270 VanDerWaalsContact O-N 3.1Å
267I93.8Very high91.3Very high2 Ų258.4 Ų58.41%0.0129%0.287CS..Hα-helixtrans-63.3-49.4175.9-68.5167.9000111.1L236 L263 L264 K265 D269 L270 L271 L828 C831 I832 V835L236-I267 HydrophobicContact CD1-CB 4.22Å; L236-I267 HydrophobicContact CD1-CG2 3.75Å; L263-I267 HydrophobicContact CD1-CD1 4.23Å; L263-I267 HydrophobicContact CD1-CG1 4.31Å; L263-I267 HydrophobicContact CG-CD1 3.93Å; L263-I267 HydrophobicContact CG-CG1 4.47Å; L263-I267 WeakPolarHBondContact O-CG1 3.5Å; L263-I267 PolarHBondContact O-N 3.35Å; L264-I267 PolarHBondContact O-N 2.93Å; K265-I267 VanDerWaalsContact C-N 3.31Å; K265-I267 PolarHBondContact O-N 2.83Å; I267-D269 PolarHBondContact O-N 3.5Å; I267-L270 PolarHBondContact O-N 2.99Å; I267-L271 HydrophobicContact CG2-CD1 3.68Å; I267-L271 HydrophobicContact CG2-CG 4.2Å; I267-L271 WeakPolarHBondContact O-CB 3.21Å; I267-L271 VanDerWaalsContact O-CG 3.29Å; I267-L271 WeakPolarHBondContact O-CG 3.15Å; I267-L271 PolarHBondContact O-N 3.48Å; I267-L828 HydrophobicContact CG2-CD2 4.16Å; I267-C831 HydrophobicContact CD1-CB 3.97Å; I267-C831 HydrophobicContact CG1-CB 4.01Å; I267-I832 HydrophobicContact CD1-CG1 4.32Å; I267-I832 HydrophobicContact CG2-CD1 4.12Å; I267-I832 HydrophobicContact CG2-CG1 3.78Å; I267-V835 HydrophobicContact CD1-CG2 4.33Å
268R92.9Very high91.3Very high38 Ų3859.5 Ų59.514%0.14329%0.292CS..Hα-helixtrans-55.9-49.1177.4-177.5-16768.6175.2-0.5111.6L236 L246 D247 L264 K265 L270 L271 Q272L236-R268 HydrophobicContact CB-CB 4.28Å; L236-R268 HydrophobicContact CB-CG 4.36Å; L236-R268 HydrophobicContact CD1-CB 4.27Å; L236-R268 HydrophobicContact CD2-CB 4.22Å; L236-R268 HydrophobicContact CG-CB 4.5Å; L246-R268 HydrophobicContact CD1-CB 4.22Å; D247-R268 VanDerWaalsContact CG-NH1 3.31Å; D247-R268 IonicContact OD1-CZ 2.82Å; D247-R268 IonicContact OD1-NH1 2.64Å; D247-R268 PolarHBondContact OD1-NH1 3.14Å; D247-R268 IonicContact OD2-NH1 2.73Å; D247-R268 PolarHBondContact OD2-NH1 3.2Å; L264-R268 VanDerWaalsContact O-CB 3.29Å; L264-R268 WeakPolarHBondContact O-CB 3.47Å; L264-R268 PolarHBondContact O-N 3.3Å; K265-R268 WeakPolarHBondContact O-CB 3.47Å; K265-R268 PolarHBondContact O-N 3.42Å; R268-L270 VanDerWaalsContact C-N 3.28Å; R268-L270 PolarHBondContact O-N 2.92Å; R268-L271 PolarHBondContact O-N 2.89Å; R268-Q272 WeakPolarHBondContact O-CG 3.21Å; R268-Q272 PolarHBondContact O-N 3.15Å
269D90.1Very high91.4Very high61 Ų6157 Ų5733%0.32629%0.285SS..Hα-helixtrans-70.9-28.4-173.1-57.4-19.2000110.9K265 I267K265-D269 WeakPolarHBondContact O-CB 3.25Å; K265-D269 PolarHBondContact O-N 3.4Å; I267-D269 PolarHBondContact O-N 3.5Å
270L91.1Very high91.4Very high37 Ų3756 Ų5619%0.19428%0.275CS..Hα-helixtrans-74.2-44.9168.1-72.2174.2000113.2K266 I267 R268 Q272 T273 I814 F818 L824 L828K266-L270 WeakPolarHBondContact O-CB 3.49Å; K266-L270 VanDerWaalsContact O-CG 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.41Å; K266-L270 PolarHBondContact O-N 3.07Å; K266-L270 VanDerWaalsContact O-N 3.1Å; I267-L270 PolarHBondContact O-N 2.99Å; R268-L270 VanDerWaalsContact C-N 3.28Å; R268-L270 PolarHBondContact O-N 2.92Å; L270-Q272 PolarHBondContact O-N 2.82Å; L270-T273 WeakPolarHBondContact O-CB 3.48Å; L270-T273 PolarHBondContact O-N 3.21Å; L270-T273 PolarHBondContact O-OG1 3.31Å; L270-I814 HydrophobicContact CD2-CG2 3.69Å; L270-F818 HydrophobicContact CD1-CZ 4.48Å; L270-F818 HydrophobicContact CD2-CE2 3.56Å; L270-F818 HydrophobicContact CD2-CZ 3.51Å; L270-L824 HydrophobicContact CB-CD1 4.38Å; L270-L824 HydrophobicContact CD2-CD1 4.01Å; L270-L828 HydrophobicContact CB-CD1 4.41Å; L270-L828 HydrophobicContact CB-CD2 3.87Å; L270-L828 HydrophobicContact CB-CG 4.4Å; L270-L828 HydrophobicContact CD1-CD2 4.38Å
271L91.8Very high91.3Very high6 Ų658.2 Ų58.23%0.03129%0.29CS..Hα-helixtrans-56.4-37.2176.5-76.9168.5000111.5L236 V237 I267 R268 T273 L274 L279 L282 L828 I832L236-L271 HydrophobicContact CB-CD1 4.31Å; L236-L271 HydrophobicContact CD1-CD1 4.32Å; V237-L271 HydrophobicContact CG2-CB 3.75Å; V237-L271 HydrophobicContact CG2-CD1 3.77Å; V237-L271 HydrophobicContact CG2-CG 4.28Å; I267-L271 HydrophobicContact CG2-CD1 3.68Å; I267-L271 HydrophobicContact CG2-CG 4.2Å; I267-L271 WeakPolarHBondContact O-CB 3.21Å; I267-L271 VanDerWaalsContact O-CG 3.29Å; I267-L271 WeakPolarHBondContact O-CG 3.15Å; I267-L271 PolarHBondContact O-N 3.48Å; R268-L271 PolarHBondContact O-N 2.89Å; L271-T273 PolarHBondContact O-N 3.42Å; L271-T273 VanDerWaalsContact O-N 3.11Å; L271-L274 HydrophobicContact CD2-CD1 4.11Å; L271-L274 WeakPolarHBondContact O-CB 3.2Å; L271-L274 PolarHBondContact O-N 2.93Å; L271-L274 VanDerWaalsContact O-N 3.17Å; L271-L279 HydrophobicContact CD2-CD1 4.01Å; L271-L282 HydrophobicContact CD2-CD2 3.48Å; L271-L282 VanDerWaalsContact CD2-CD2 3.48Å; L271-L828 HydrophobicContact CD2-CD1 4.13Å; L271-L828 HydrophobicContact CD2-CD2 4.27Å; L271-L828 HydrophobicContact CG-CD2 4.07Å; L271-I832 HydrophobicContact CD2-CD1 4.44Å
272Q89.9Confident91.5Very high73 Ų7355.2 Ų55.234%0.34128%0.278SS..THydrogen-bonded Turntrans-67.4-2.8174.8-72.2-174.128.400115R268 L270 R811R268-Q272 WeakPolarHBondContact O-CG 3.21Å; R268-Q272 PolarHBondContact O-N 3.15Å; L270-Q272 PolarHBondContact O-N 2.82Å; Q272-R811 VanDerWaalsContact O-CD 3.24Å; Q272-R811 WeakPolarHBondContact O-CD 3.38Å; Q272-R811 PolarHBondContact O-NE 3.26Å
273T90.3Very high91.6Very high12 Ų1250.1 Ų50.17%0.07425%0.247CC..THydrogen-bonded Turntrans-100.2-6.3172.971.80000114.2L270 L271 R811 I814 R815L270-T273 WeakPolarHBondContact O-CB 3.48Å; L270-T273 PolarHBondContact O-N 3.21Å; L270-T273 PolarHBondContact O-OG1 3.31Å; L271-T273 PolarHBondContact O-N 3.42Å; L271-T273 VanDerWaalsContact O-N 3.11Å; T273-R811 HydrophobicContact CG2-CB 4.01Å; T273-R811 HydrophobicContact CG2-CG 4.15Å; T273-I814 HydrophobicContact CG2-CB 3.99Å; T273-I814 HydrophobicContact CG2-CG2 3.78Å; T273-R815 PolarHBondContact O-NH1 3.49Å
274L89.3Confident91.6Very high25 Ų2553 Ų5313%0.13126%0.257CS..SBendtrans-78.2152.5176.6-60.6-174.2000111.7L271 E278 L279 L282 L824 I825 L828L271-L274 HydrophobicContact CD2-CD1 4.11Å; L271-L274 WeakPolarHBondContact O-CB 3.2Å; L271-L274 PolarHBondContact O-N 2.93Å; L271-L274 VanDerWaalsContact O-N 3.17Å; L274-E278 WeakPolarHBondContact CA-OE2 3.46Å; L274-E278 HydrophobicContact CB-CB 4.05Å; L274-E278 HydrophobicContact CD2-CB 4.18Å; L274-L279 HydrophobicContact CD1-CD1 4.32Å; L274-L282 HydrophobicContact CD1-CD2 3.92Å; L274-L824 HydrophobicContact CD2-CD2 3.66Å; L274-L824 HydrophobicContact CD2-CG 3.95Å; L274-I825 HydrophobicContact CD2-CG1 4.36Å; L274-L828 HydrophobicContact CD1-CD1 3.89Å; L274-L828 HydrophobicContact CD2-CD1 4.24Å; L274-L828 HydrophobicContact CG-CD1 4.22Å
275T90.4Very high91.5Very high66 Ų6656 Ų5641%0.40527%0.273SS..  trans-77.1167.3161.1710000110.9E277 E278 L279T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 PolarHBondContact O-N 3.31Å; T275-E278 PolarHBondContact N-OE2 3.06Å; T275-E278 PolarHBondContact O-N 3.49Å; T275-E278 VanDerWaalsContact OG1-CG 3.3Å; T275-E278 WeakPolarHBondContact OG1-CG 3.37Å; T275-E278 PolarHBondContact OG1-N 2.98Å; T275-L279 WeakPolarHBondContact O-CB 3.37Å; T275-L279 PolarHBondContact O-N 3.39Å
276E88.9Confident91.5Very high156 Ų15653.3 Ų53.373%0.72926%0.262SS*.Hα-helixtrans-60.5-39.6174.9-170.6169.8-168.500111.8L279 L280E276-L279 PolarHBondContact O-N 3.02Å; E276-L280 HydrophobicContact CG-CD1 4.3Å; E276-L280 WeakPolarHBondContact O-CB 3.28Å; E276-L280 WeakPolarHBondContact O-CG 3.21Å; E276-L280 PolarHBondContact O-N 2.73Å
277E90.8Very high91.4Very high156 Ų15648.3 Ų48.373%0.72924%0.243SC*.Hα-helixtrans-64.6-39.3175.6-61.3-179.4166.800112.7T275 T281T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 PolarHBondContact O-N 3.31Å; E277-T281 WeakPolarHBondContact O-CB 3.49Å; E277-T281 PolarHBondContact O-N 3.05Å; E277-T281 PolarHBondContact O-OG1 3.43Å
278E92.6Very high90.5Very high25 Ų2552.7 Ų52.712%0.11727%0.265CS..Hα-helixtrans-70.1-37.7176.8-72171160.500112L274 T275 T281 L282 R815 S821 I825L274-E278 WeakPolarHBondContact CA-OE2 3.46Å; L274-E278 HydrophobicContact CB-CB 4.05Å; L274-E278 HydrophobicContact CD2-CB 4.18Å; T275-E278 PolarHBondContact N-OE2 3.06Å; T275-E278 PolarHBondContact O-N 3.49Å; T275-E278 VanDerWaalsContact OG1-CG 3.3Å; T275-E278 WeakPolarHBondContact OG1-CG 3.37Å; T275-E278 PolarHBondContact OG1-N 2.98Å; E278-T281 WeakPolarHBondContact O-CB 3.28Å; E278-T281 PolarHBondContact O-N 3.45Å; E278-L282 PolarHBondContact O-N 3.05Å; E278-R815 IonicContact OE1-CZ 3.61Å; E278-R815 IonicContact OE1-NH1 3.62Å; E278-R815 IonicContact OE1-NH2 2.69Å; E278-R815 PolarHBondContact OE1-NH2 2.92Å; E278-R815 IonicContact OE2-CZ 3.48Å; E278-R815 IonicContact OE2-NH1 2.71Å; E278-R815 PolarHBondContact OE2-NH1 3.48Å; E278-R815 IonicContact OE2-NH2 3.32Å; E278-R815 PolarHBondContact OE2-NH2 2.89Å; E278-S821 WeakPolarHBondContact OE1-CB 3.26Å; E278-S821 PolarHBondContact OE1-OG 3Å; E278-I825 HydrophobicContact CB-CD1 4.03Å; E278-I825 HydrophobicContact CG-CD1 4.24Å
279L92.6Very high88.7Confident26 Ų2653 Ų5314%0.13627%0.273CS..Hα-helixtrans-65.1-48.3173.8-17663.8000111.1V233 V237 L271 L274 T275 E276 T281 L282 E283V233-L279 HydrophobicContact CG1-CD1 3.78Å; V237-L279 HydrophobicContact CG1-CD2 4.2Å; L271-L279 HydrophobicContact CD2-CD1 4.01Å; L274-L279 HydrophobicContact CD1-CD1 4.32Å; T275-L279 WeakPolarHBondContact O-CB 3.37Å; T275-L279 PolarHBondContact O-N 3.39Å; E276-L279 PolarHBondContact O-N 3.02Å; L279-T281 PolarHBondContact O-N 3.05Å; L279-L282 PolarHBondContact O-N 3.49Å; L279-L282 VanDerWaalsContact O-N 3.13Å; L279-E283 WeakPolarHBondContact O-CG 3.08Å; L279-E283 PolarHBondContact O-N 3.25Å
280L90.9Very high86.8Confident56 Ų5657.7 Ų57.729%0.29329%0.293SS..Hα-helixtrans-60.7-26.6175-69169.7000112.6L208 Y210 E276 K284L208-L280 HydrophobicContact CD1-CD2 4.49Å; Y210-L280 WeakPolarHBondContact OH-CD2 3.23Å; E276-L280 HydrophobicContact CG-CD1 4.3Å; E276-L280 WeakPolarHBondContact O-CB 3.28Å; E276-L280 WeakPolarHBondContact O-CG 3.21Å; E276-L280 PolarHBondContact O-N 2.73Å; L280-K284 WeakPolarHBondContact O-CD 3.5Å; L280-K284 VanDerWaalsContact O-CG 3.27Å; L280-K284 WeakPolarHBondContact O-CG 3.24Å; L280-K284 PolarHBondContact O-N 3.17Å
281T92.3Very high84.1Confident65 Ų6563.1 Ų63.140%0.39932%0.322SS..Hα-helixtrans-76.2-45.1174-59.20000111.4E277 E278 L279 K284 N285 I825E277-T281 WeakPolarHBondContact O-CB 3.49Å; E277-T281 PolarHBondContact O-N 3.05Å; E277-T281 PolarHBondContact O-OG1 3.43Å; E278-T281 WeakPolarHBondContact O-CB 3.28Å; E278-T281 PolarHBondContact O-N 3.45Å; L279-T281 PolarHBondContact O-N 3.05Å; T281-K284 PolarHBondContact O-N 2.89Å; T281-N285 PolarHBondContact O-N 3.1Å; T281-N285 PolarHBondContact O-ND2 3.28Å; T281-N285 PolarHBondContact O-OD1 2.82Å; T281-I825 HydrophobicContact CG2-CD1 4.41Å
282L94.1Very high81.8Confident0 Ų066.6 Ų66.60%036%0.36CS..Hα-helixtrans-60.4-44.5173.7173.760.7000111.8L271 L274 E278 L279 K284 N285 L286 I825 L828 F829 I832L271-L282 HydrophobicContact CD2-CD2 3.48Å; L271-L282 VanDerWaalsContact CD2-CD2 3.48Å; L274-L282 HydrophobicContact CD1-CD2 3.92Å; E278-L282 PolarHBondContact O-N 3.05Å; L279-L282 PolarHBondContact O-N 3.49Å; L279-L282 VanDerWaalsContact O-N 3.13Å; L282-K284 PolarHBondContact O-N 3.18Å; L282-N285 PolarHBondContact O-N 3.36Å; L282-L286 HydrophobicContact CD1-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CG 4.11Å; L282-L286 HydrophobicContact CG-CD1 3.95Å; L282-L286 HydrophobicContact CG-CG 4.48Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 2.8Å; L282-I825 HydrophobicContact CB-CG2 4.15Å; L282-I825 HydrophobicContact CD1-CG2 4.15Å; L282-L828 HydrophobicContact CD1-CB 4.16Å; L282-L828 HydrophobicContact CD2-CB 3.85Å; L282-L828 HydrophobicContact CD2-CD1 4.06Å; L282-F829 HydrophobicContact CD1-CB 3.96Å; L282-I832 HydrophobicContact CD2-CD1 4.19Å
283E93.4Very high79.4Confident0 Ų072 Ų720%039%0.385CS..Hα-helixtrans-63.6-40.8179.9-70.5-177.3140.200112.2R204 Y210 L230 V233 L279 L286 C287R204-E283 IonicContact CZ-OE1 2.66Å; R204-E283 IonicContact CZ-OE2 3.36Å; R204-E283 VanDerWaalsContact NH1-CD 3.32Å; R204-E283 IonicContact NH1-OE1 2.73Å; R204-E283 PolarHBondContact NH1-OE1 3.11Å; R204-E283 IonicContact NH1-OE2 2.68Å; R204-E283 PolarHBondContact NH1-OE2 3.45Å; R204-E283 IonicContact NH2-OE1 3.48Å; R204-E283 PolarHBondContact NH2-OE1 3.25Å; R204-E283 IonicContact NH2-OE2 3.21Å; R204-E283 PolarHBondContact NH2-OE2 2.96Å; Y210-E283 HydrophobicContact CE2-CB 3.7Å; Y210-E283 PolarHBondContact OH-OE2 3.08Å; L230-E283 HydrophobicContact CD2-CB 4.1Å; L230-E283 HydrophobicContact CD2-CG 4.38Å; V233-E283 HydrophobicContact CG1-CG 4.05Å; V233-E283 WeakPolarHBondContact CG1-OE1 3.48Å; L279-E283 WeakPolarHBondContact O-CG 3.08Å; L279-E283 PolarHBondContact O-N 3.25Å; E283-L286 PolarHBondContact O-N 2.83Å; E283-C287 PolarHBondContact O-N 3.1Å; E283-C287 PolarHBondContact O-SG 3.3Å
284K91.9Very high76.6Confident124 Ų12479 Ų7954%0.53942%0.421SS..Hα-helixtrans-60.4-46.1171-75.4172.5-178.9178.80112Y210 L280 T281 L282 L286 C287Y210-K284 HydrophobicContact CD1-CG 4.15Å; Y210-K284 HydrophobicContact CE1-CD 4.43Å; Y210-K284 HydrophobicContact CE1-CG 3.6Å; L280-K284 WeakPolarHBondContact O-CD 3.5Å; L280-K284 VanDerWaalsContact O-CG 3.27Å; L280-K284 WeakPolarHBondContact O-CG 3.24Å; L280-K284 PolarHBondContact O-N 3.17Å; T281-K284 PolarHBondContact O-N 2.89Å; L282-K284 PolarHBondContact O-N 3.18Å; K284-L286 VanDerWaalsContact C-N 3.29Å; K284-L286 PolarHBondContact O-N 3.38Å; K284-C287 WeakPolarHBondContact O-CB 3.44Å; K284-C287 PolarHBondContact O-N 2.82Å; K284-C287 VanDerWaalsContact O-N 3.12Å
285N91.6Very high73.8Confident61 Ų6181.4 Ų81.433%0.32644%0.444SS..Hα-helixtrans-61.4-37.9178.5-67.2-12.1000112T281 L282 C287 I288 F829T281-N285 PolarHBondContact O-N 3.1Å; T281-N285 PolarHBondContact O-ND2 3.28Å; T281-N285 PolarHBondContact O-OD1 2.82Å; L282-N285 PolarHBondContact O-N 3.36Å; N285-C287 PolarHBondContact O-N 2.6Å; N285-I288 PolarHBondContact O-N 3.27Å; N285-F829 HydrophobicContact CB-CD2 4.25Å; N285-F829 WeakPolarHBondContact O-CE2 3.11Å
286L92.1Very high71.2Confident0 Ų084.4 Ų84.40%047%0.468CS..Hα-helixtrans-67.1-19177.1-72.7167.1000114.2R229 V233 L282 E283 K284 F829 I832R229-L286 HydrophobicContact CB-CB 4.25Å; R229-L286 HydrophobicContact CB-CD2 4.14Å; R229-L286 HydrophobicContact CG-CD2 4.45Å; V233-L286 HydrophobicContact CG2-CD1 3.56Å; L282-L286 HydrophobicContact CD1-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CG 4.11Å; L282-L286 HydrophobicContact CG-CD1 3.95Å; L282-L286 HydrophobicContact CG-CG 4.48Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 2.8Å; E283-L286 PolarHBondContact O-N 2.83Å; K284-L286 VanDerWaalsContact C-N 3.29Å; K284-L286 PolarHBondContact O-N 3.38Å; L286-F829 HydrophobicContact CD2-CD2 3.64Å; L286-F829 HydrophobicContact CD2-CE2 4.21Å; L286-F829 HydrophobicContact CD2-CG 4.41Å; L286-F829 HydrophobicContact CG-CD2 4.11Å; L286-I832 HydrophobicContact CD1-CD1 4.12Å; L286-I832 HydrophobicContact CD1-CG2 4.08Å; L286-I832 HydrophobicContact CD2-CB 4.03Å; L286-I832 HydrophobicContact CD2-CG2 3.77Å
287C88.1Confident68.2Low25 Ų2584.1 Ų84.117%0.16947%0.472CS..Hα-helixtrans-83.2-17.9174.7-58.60000113.6T226 E283 K284 N285 S289T226-C287 HydrophobicContact CG2-CB 3.91Å; T226-C287 PolarHBondContact OG1-O 2.97Å; E283-C287 PolarHBondContact O-N 3.1Å; E283-C287 PolarHBondContact O-SG 3.3Å; K284-C287 WeakPolarHBondContact O-CB 3.44Å; K284-C287 PolarHBondContact O-N 2.82Å; K284-C287 VanDerWaalsContact O-N 3.12Å; N285-C287 PolarHBondContact O-N 2.6Å; C287-S289 PolarHBondContact O-N 2.87Å
288I76Confident65.2Low95 Ų9580.1 Ų80.149%0.48747%0.472SS..SBendtrans-78.8116.1-178.7-61.1172000108N285N285-I288 PolarHBondContact O-N 3.27Å
289S55.4Low62.2Low43 Ų4386.4 Ų86.430%0.30151%0.505SS..  trans-62.2151.4170.4-61.70000110.6C287 D291C287-S289 PolarHBondContact O-N 2.87Å; S289-D291 PolarHBondContact O-N 2.93Å; S289-D291 VanDerWaalsContact O-N 3.11Å
290Q49.8Very low59.1Low160 Ų16090.8 Ų90.875%0.74854%0.535SS*.SBendtrans-71.6-11.4-164.3-160.5163.96.700114.3
291D33.7Very low56.2Low152 Ų15293.6 Ų93.681%0.81355%0.554SS**SBendtrans-87.1107.5171.5-61.7-60.2000110.3S289 E293S289-D291 PolarHBondContact O-N 2.93Å; S289-D291 VanDerWaalsContact O-N 3.11Å; D291-E293 PolarHBondContact O-N 3.41Å; D291-E293 VanDerWaalsContact O-N 3.13Å
292G43.7Very low53.3Low79 Ų7996.4 Ų96.481%0.81457%0.574SS**  trans-80.890.8-169.700000114.6
293E39.3Very low50.1Low186 Ų186103.2 Ų103.287%0.86962%0.615SS**  trans-146.787.3163.5-147.7174-114.300112.8D291D291-E293 PolarHBondContact O-N 3.41Å; D291-E293 VanDerWaalsContact O-N 3.13Å
294L32.9Very low47.1Very low159 Ų159111.9 Ų111.983%0.83266%0.655SS**  trans-132.6106.1166-84.9-177.9000113.2
295A30.3Very low43.8Very low75 Ų75115.1 Ų115.162%0.6267%0.672SS**  trans31.6103.2145.200000118.8N297A295-N297 VanDerWaalsContact C-N 3.28Å; A295-N297 PolarHBondContact O-N 2.88Å
296S34.5Very low40.7Very low129 Ų129119.4 Ų119.490%0.90270%0.695SS**  trans-66.886.5149.761.20000110.3
297N27.1Very low38Very low151 Ų151124.9 Ų124.981%0.80773%0.731SS**  trans-119.7127.2166.3-95.3-39.3000110A295A295-N297 VanDerWaalsContact C-N 3.28Å; A295-N297 PolarHBondContact O-N 2.88Å
298G27.6Very low35.1Very low72 Ų72128.2 Ų128.274%0.74275%0.754SS**  trans-80.6156.3-158.400000115.7P300G298-P300 WeakPolarHBondContact O-CD 3.3Å
299I28.3Very low32.8Very low157 Ų157128.4 Ų128.481%0.80576%0.764SS**  trans-62.1123.2168.1-60170.6000109.1V301I299-V301 PolarHBondContact O-N 2.92Å
300P28.8Very low31.3Very low118 Ų118135 Ų13577%0.76679%0.79SS**  trans-76.3107.9171.330-32000110.2G298G298-P300 WeakPolarHBondContact O-CD 3.3Å
301V29.9Very low30.2Very low115 Ų115131.8 Ų131.870%0.69779%0.785SS**PPolyproline II helixtrans-68.9133.8168.2178.10000108.9I299 V303I299-V301 PolarHBondContact O-N 2.92Å; V301-V303 PolarHBondContact O-N 3.32Å
302P31.8Very low29.9Very low124 Ų124132.2 Ų132.281%0.80579%0.786SS**PPolyproline II helixtrans-67125.1-178.526.4-34.6000111.7
303V26.8Very low29Very low143 Ų143132.3 Ų132.387%0.86778%0.779SS**PPolyproline II helixtrans-83.3126178.9173.50000110.3V301V301-V303 PolarHBondContact O-N 3.32Å
304Q28.5Very low28.5Very low182 Ų182129.6 Ų129.685%0.8577%0.771SS**PPolyproline II helixtrans-88.6164.5169-149169.617.300110.9
305E24.6Very low28.3Very low191 Ų191128.6 Ų128.689%0.89377%0.767SS**PPolyproline II helixtrans-65.4145.7-155.2-60.4175.4115.600116.6
306N24.7Very low28.2Very low151 Ų151128.8 Ų128.881%0.80777%0.768SS**PPolyproline II helixtrans-62.6156.2165.9-121.7-37.3000110.4
307P37Very low27.9Very low115 Ų115127.6 Ų127.675%0.74776%0.759SS**  -150.8158.658.839.8-20.4000118.2
308S25.5Very low27.9Very low95 Ų95128.3 Ų128.366%0.66476%0.763SS**  150.9152107.360.60000115.8
309S27.4Very low27.9Very low99 Ų99128.8 Ų128.869%0.69277%0.768SS**  trans71117.9171.4-17.50000115.7
310H25.2Very low27.9Very low182 Ų182131.3 Ų131.384%0.84378%0.776SS**  62.7129.569.1-67.6-70.3000114.1
311S25.8Very low27.8Very low92 Ų92129.5 Ų129.564%0.64378%0.779SS**  cis179.8174.9-15.140.60000109.3
312L27.3Very low27.6Very low161 Ų161128.2 Ų128.284%0.84379%0.789SS**  trans82.8122.4171.6-53178.9000113.9
313A26.4Very low27.3Very low81 Ų81126.2 Ų126.267%0.66979%0.791SS**  87.6140.258.900000112
314N28.9Very low27.4Very low129 Ų129128.4 Ų128.469%0.6979%0.792SS**  cis-156173.96.9-121.330.2000110.5
315D26.9Very low27.2Very low139 Ų139129.3 Ų129.374%0.74380%0.796SS**  trans36155.2143.8-54.4-30000123.5
316A28.3Very low27.3Very low78 Ų78127.4 Ų127.465%0.64579%0.792SS**  cis-176.9159.7-24.900000110.4
317S29.2Very low28.3Very low104 Ų104124.9 Ų124.973%0.72778%0.783SS**  trans74.3137.8150.375.40000123.1
318N27.2Very low27.8Very low167 Ų167126.5 Ų126.589%0.89379%0.785SS**  trans68.6135.3143.6-63.44.5000122.8
319G26.5Very low28.3Very low81 Ų81127.7 Ų127.784%0.83579%0.791SS**  trans168.2108.616200000113.2
320E28.6Very low28.2Very low211 Ų211128.2 Ų128.299%0.98679%0.789SS**  trans-96.4157.2169.6-64172.896.200110.9
321G27Very low28.1Very low80 Ų80128.6 Ų128.683%0.82579%0.789SS**  trans144.4118.4162.900000114.7
322G25.6Very low28Very low88 Ų88129.4 Ų129.491%0.90779%0.79SS**  trans-96.7-171.417700000114.3
323G26.1Very low27.9Very low81 Ų81126.4 Ų126.484%0.83578%0.782SS**  trans160.6142.5174.100000112.5
324E27.8Very low28.7Very low189 Ų189127.5 Ų127.588%0.88378%0.783SS**  trans-90.8156.4172.5-64.2156.891.200110.7
325E26.2Very low28.7Very low201 Ų201127.4 Ų127.494%0.93978%0.782SS**  168.1156.2126.6-89.9-178.7162.500113.1
326D26.1Very low28.7Very low152 Ų152127.7 Ų127.781%0.81378%0.779SS**  trans-100.2-169.4179.5-141-2.7000108.8
327P45.9Very low28.5Very low97 Ų97130.5 Ų130.563%0.6378%0.783SS**  cis-138.9-178.1-16.840.9-21.6000116.2
328L25.4Very low28.4Very low149 Ų149134.9 Ų134.978%0.7879%0.792SS**  trans23143.5142-61.4177.2000122
329P36.9Very low28.5Very low120 Ų120135 Ų13578%0.77979%0.787SS**  -152.2151.764.438-15.9000119.5
330V25Very low28.4Very low110 Ų110138.8 Ų138.867%0.66779%0.788SS**  81.3144.477.4-164.90000117.6
331F22.4Very low28.3Very low191 Ų191133.2 Ų133.284%0.83878%0.777SS**  trans100.1142.2167.3-83.6-96000119.5
332V25Very low28.3Very low109 Ų109138.4 Ų138.466%0.66178%0.78SS**  cis-178.6144.2-44.6129.80000111.3
333S25.2Very low28.4Very low98 Ų98141 Ų14169%0.68578%0.778SS**  trans17.1179.2149-40.10000122.6
334P43Very low28.3Very low104 Ų104145.1 Ų145.168%0.67578%0.776SS**  cis-145.9168.89.148-29.1000119.6
335D27.7Very low28.3Very low126 Ų126143.5 Ų143.567%0.67477%0.773SS**  48.5156.6126.5-59.121.6000122.2
336Q27Very low28.2Very low146 Ų146137 Ų13768%0.68276%0.759SS**  cis-163.3162.17.3-124.1159.141.300112.4
337D25.8Very low28.2Very low136 Ų136141.9 Ų141.973%0.72777%0.767SS**  trans72.2153.5140.8-65.5-14.9000128.4
338E26.8Very low27.2Very low196 Ų196146 Ų14692%0.91678%0.777SS**  trans90.6138.4161.1-61.4-141.9131.100123.1
339E27.8Very low27.2Very low170 Ų170146.7 Ų146.779%0.79478%0.777SS**  trans-134.3142.2-175.1169.7-160.7137.800106.7
340L25.6Very low26.7Very low161 Ų161147.6 Ų147.684%0.84378%0.78SS**  trans174.2158.8143.7-101.1166.6000115.1
341A26.5Very low26.9Very low93 Ų93149.7 Ų149.777%0.76978%0.782SS**  trans84.2131.315400000120.4
342E26.9Very low27.1Very low190 Ų190147.5 Ų147.589%0.88879%0.785SS**  trans-82.9166.8173.9-52.7150.5124.600111.4
343V26.4Very low27.3Very low141 Ų141150.1 Ų150.186%0.85579%0.79SS**  trans-162.3137.1132.9131.20000111.6
344E25.5Very low27.4Very low169 Ų169153.8 Ų153.879%0.7980%0.802SS**  trans-72.2157.8176.6175.9-177.6-15600112.9
345N27.1Very low26.7Very low154 Ų154152.2 Ų152.282%0.82481%0.805SS**  trans178.5117.6140.4-97-65.4000110.4
346G23.4Very low26.7Very low64 Ų64155.2 Ų155.266%0.6682%0.815SS**  trans-90.8178.3172.900000113.6
347W26Very low26.7Very low256 Ų256157 Ų15797%0.9782%0.823SS**  trans-135.8129.7163.6-78.883.7000109.2
348E25.1Very low26.9Very low182 Ų182158.4 Ų158.485%0.8583%0.825SS**  trans-106.8179.5-172.2-157.4165.7-142.900111.3
349E26.7Very low27.5Very low165 Ų165153.1 Ų153.177%0.77181%0.808SS**  trans-64.9163.7-157-56.7175.2129.300117.2
350V25.9Very low27.5Very low138 Ų138154.1 Ų154.184%0.83681%0.813SS**  trans-129.1107154.4173.20000108.7
351E28.2Very low27.7Very low155 Ų155154 Ų15472%0.72481%0.808SS**  trans-66.6146.1167.3-63.7-176.3105.900111.2
352T27.4Very low27.8Very low144 Ų144152.8 Ų152.888%0.88380%0.804SS**  trans-135.913614843.30000109.6
353Q28.9Very low27.8Very low165 Ų165152 Ų15277%0.77181%0.805SS**  trans-128.4127.4-165.5-177.4-178.881.800110.3
354N28.4Very low28Very low174 Ų174153.6 Ų153.693%0.9381%0.808SS**  trans-172.9149.7158.8-92.1-34000107.7
355G27.5Very low28.1Very low72 Ų72151.2 Ų151.274%0.74281%0.808SS**  trans-144.3-138.7-172.200000114.3
356E27.2Very low28.5Very low189 Ų189153 Ų15388%0.88381%0.812SS**  trans94.589.8-179.5-55.7-174160.800116.6
357E27.8Very low29Very low182 Ų182158.7 Ų158.785%0.8582%0.821SS**  trans53.2112131.1-63.6176.5-173.500119.6
358E30.6Very low29.5Very low166 Ų166149.4 Ų149.478%0.77680%0.799SS**  74.4152.279.1-78.5-82.591.500114.8
359P39.2Very low30Very low86 Ų86149.1 Ų149.156%0.55880%0.798SS**  cis-135.9168.2-29.438.8-24000114.4
360E28.1Very low30.6Very low191 Ų191149.8 Ų149.889%0.89380%0.801SS**  trans-158125142.6-140.7171-151.100111.8
361Q29.1Very low31.2Very low159 Ų159146.2 Ų146.274%0.74379%0.786SS**  trans-84.5156.1173.5-60.482.810.100111
362G27.4Very low31.7Very low67 Ų67146.8 Ų146.869%0.69179%0.789SS**  cis130.5120.21.200000111.7
363L26.9Very low32.3Very low173 Ų173147.2 Ų147.291%0.90679%0.785SS**  trans-162.293.7167.7-150.782.3000113.5
364L31.9Very low32.4Very low174 Ų174142.7 Ų142.791%0.91178%0.775SS**  trans-152.7117.4160.7-79.5-177.6000108.4
365C27.3Very low32.8Very low119 Ų119139 Ų13980%0.80476%0.762SS**  trans-179.293159-109.40000111.5
366E35Very low33.3Very low192 Ų192140.4 Ų140.490%0.89776%0.761SS**SBendtrans-127.3-9.1153.8-76.8-168.2154.400112.1A368E366-A368 PolarHBondContact O-N 2.84Å
367E35.1Very low33.8Very low184 Ų184138.7 Ų138.786%0.8675%0.754SS**THydrogen-bonded Turntrans-79.410.3-179-65.6-175102.200114.7
368A35.3Very low34.4Very low60 Ų60137.9 Ų137.950%0.49675%0.751SS.*THydrogen-bonded Turntrans-84.3-41.1-175.500000113.7E366 E370 A371E366-A368 PolarHBondContact O-N 2.84Å; A368-E370 PolarHBondContact O-N 2.9Å; A368-A371 PolarHBondContact O-N 3.1Å
369E36.9Very low35Very low176 Ų176137.6 Ų137.682%0.82274%0.744SS**Hα-helixtrans-79.4-18.9-169.8-63.2-168.3156.600114.1A371E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 3.07Å
370E38.3Very low35.6Very low180 Ų180139.1 Ų139.184%0.84175%0.747SS**Hα-helixtrans-81.1-6.7176.7-150.6177.8-148.700113A368A368-E370 PolarHBondContact O-N 2.9Å
371A38.9Very low36.8Very low63 Ų63138.4 Ų138.452%0.52174%0.743SS.*Hα-helixtrans-86-39.4-177.500000114A368 E369 L373 A374A368-A371 PolarHBondContact O-N 3.1Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 3.07Å; A371-L373 PolarHBondContact O-N 3.23Å; A371-A374 WeakPolarHBondContact O-CB 3.49Å; A371-A374 PolarHBondContact O-N 3.27Å
372E37.7Very low37.9Very low167 Ų167137.9 Ų137.978%0.7874%0.741SS**Hα-helixtrans-74.4-26.9-174.6-65.5-16113300113.4A374 C375E372-A374 PolarHBondContact O-N 3.03Å; E372-C375 PolarHBondContact O-N 2.85Å; E372-C375 VanDerWaalsContact O-N 3.14Å
373L39.9Very low39.1Very low153 Ų153140.3 Ų140.380%0.80173%0.734SS**THydrogen-bonded Turntrans-69.9-0.1176.3-109.8165.5000114.2A371A371-L373 PolarHBondContact O-N 3.23Å
374A32.7Very low40.5Very low69 Ų69136.7 Ų136.757%0.5772%0.715SS**THydrogen-bonded Turntrans-87-12.6171.400000114A371 E372A371-A374 WeakPolarHBondContact O-CB 3.49Å; A371-A374 PolarHBondContact O-N 3.27Å; E372-A374 PolarHBondContact O-N 3.03Å
375C36Very low42.1Very low97 Ų97134.5 Ų134.566%0.65570%0.701SS**SBendtrans-98.318.9-173.5-66.10000114.6E372E372-C375 PolarHBondContact O-N 2.85Å; E372-C375 VanDerWaalsContact O-N 3.14Å
376S39.1Very low43.7Very low102 Ų102134.7 Ų134.771%0.71369%0.69SS**  trans-113.752.5-179.7-162.50000112.6
377M36.9Very low44.6Very low152 Ų152130.3 Ų130.375%0.74967%0.672SS**  trans-145.219.6162-80.9-146.675.500113
378Q39.6Very low45.7Very low166 Ų166125.6 Ų125.678%0.77665%0.652SS**  trans-90.1113.5147.9-72.7169.2-91.400105.3
379Y44.6Very low46.9Very low160 Ų160127.5 Ų127.563%0.62765%0.653SS**  trans-69.9132.2153.1-70.5-81.1000105.6E381Y379-E381 PolarHBondContact O-N 2.84Å
380D50.7Low48.1Very low118 Ų118124.5 Ų124.563%0.63164%0.64SS**  trans-58130.1171.8-70.5-42.7000107.9E382 E383 L384D380-E382 PolarHBondContact O-N 3.02Å; D380-E382 VanDerWaalsContact O-N 3.11Å; D380-E383 HydrophobicContact CB-CB 4.25Å; D380-E383 WeakPolarHBondContact O-CA 3.22Å; D380-E383 PolarHBondContact O-N 2.87Å; D380-L384 PolarHBondContact O-N 3.34Å
381E52.6Low49.4Very low175 Ų175120.2 Ų120.282%0.81863%0.626SS**Hα-helixtrans-59.4-31.2-172.3-159.5161.8-153.300110.6Y379 E385Y379-E381 PolarHBondContact O-N 2.84Å; E381-E385 VanDerWaalsContact O-CB 3.28Å; E381-E385 WeakPolarHBondContact O-CB 3.41Å; E381-E385 PolarHBondContact O-N 2.91Å
382E53.1Low50.4Low149 Ų149125 Ų12570%0.69663%0.632SS**Hα-helixtrans-72.4-26.7173.7-163169.1-150.800114D380 Q386D380-E382 PolarHBondContact O-N 3.02Å; D380-E382 VanDerWaalsContact O-N 3.11Å; E382-Q386 WeakPolarHBondContact O-CB 3.45Å; E382-Q386 WeakPolarHBondContact O-CG 3.44Å; E382-Q386 PolarHBondContact O-N 3.32Å; E382-Q386 VanDerWaalsContact O-N 3.1Å; E382-Q386 PolarHBondContact O-NE2 2.91Å
383E53.2Low51.5Low117 Ų117124.2 Ų124.255%0.54762%0.621SS.*Hα-helixtrans-79.8-40.6171.3-169-177-127.100110.7D380 E385 Q386 L387D380-E383 HydrophobicContact CB-CB 4.25Å; D380-E383 WeakPolarHBondContact O-CA 3.22Å; D380-E383 PolarHBondContact O-N 2.87Å; E383-E385 VanDerWaalsContact C-N 3.35Å; E383-Q386 PolarHBondContact O-N 2.89Å; E383-L387 WeakPolarHBondContact O-CB 3.34Å; E383-L387 PolarHBondContact O-N 3.14Å
384L56.8Low52.7Low97 Ų97120.4 Ų120.451%0.50860%0.604SS.*Hα-helixtrans-64.1-40.3173.7-176.361.5000111.3D380 L387 N388D380-L384 PolarHBondContact O-N 3.34Å; L384-L387 PolarHBondContact O-N 3.39Å; L384-N388 WeakPolarHBondContact O-CB 3.35Å; L384-N388 PolarHBondContact O-N 3.38Å
385E63.9Low54.1Low129 Ų129118.8 Ų118.860%0.60360%0.595SS**Hα-helixtrans-67.6-39174.7-169.3166.9-121.900111.8E381 E383 N388 M389E381-E385 VanDerWaalsContact O-CB 3.28Å; E381-E385 WeakPolarHBondContact O-CB 3.41Å; E381-E385 PolarHBondContact O-N 2.91Å; E383-E385 VanDerWaalsContact C-N 3.35Å; E385-N388 PolarHBondContact O-N 2.9Å; E385-M389 VanDerWaalsContact O-CB 3.29Å; E385-M389 WeakPolarHBondContact O-CB 3.41Å; E385-M389 PolarHBondContact O-N 2.82Å
386Q61.8Low55.1Low123 Ų123119.8 Ų119.858%0.57559%0.593SS**Hα-helixtrans-62.6-39.4170.6-81.9173.283.600113E382 E383 M389 M390E382-Q386 WeakPolarHBondContact O-CB 3.45Å; E382-Q386 WeakPolarHBondContact O-CG 3.44Å; E382-Q386 PolarHBondContact O-N 3.32Å; E382-Q386 VanDerWaalsContact O-N 3.1Å; E382-Q386 PolarHBondContact O-NE2 2.91Å; E383-Q386 PolarHBondContact O-N 2.89Å; Q386-M389 CarbonylContact O-C 3.59Å; Q386-M389 WeakPolarHBondContact O-CB 3.31Å; Q386-M389 PolarHBondContact O-N 2.77Å; Q386-M390 WeakPolarHBondContact O-CB 3.33Å; Q386-M390 PolarHBondContact O-N 2.67Å
387L54.4Low55.9Low100 Ų100120.2 Ų120.252%0.52458%0.584SS.*Hα-helixtrans-65.2-42.1175.2-172.366.6000110.8E383 L384 M390 V391E383-L387 WeakPolarHBondContact O-CB 3.34Å; E383-L387 PolarHBondContact O-N 3.14Å; L384-L387 PolarHBondContact O-N 3.39Å; L387-M390 WeakPolarHBondContact O-CB 3.38Å; L387-M390 PolarHBondContact O-N 3.09Å; L387-M390 VanDerWaalsContact O-N 3.14Å; L387-V391 WeakPolarHBondContact O-CG2 3.12Å; L387-V391 PolarHBondContact O-N 3.21Å
388N56.5Low56.2Low84 Ų84118.4 Ų118.445%0.44958%0.575SS.*Hα-helixtrans-62.6-44.1174.3-143.85.1000110.8L384 E385 M390 V391 Y392L384-N388 WeakPolarHBondContact O-CB 3.35Å; L384-N388 PolarHBondContact O-N 3.38Å; E385-N388 PolarHBondContact O-N 2.9Å; N388-M390 PolarHBondContact O-N 2.95Å; N388-V391 PolarHBondContact O-N 3.39Å; N388-V391 VanDerWaalsContact O-N 3.17Å; N388-Y392 WeakPolarHBondContact O-CD2 3.39Å; N388-Y392 PolarHBondContact O-N 3.43Å
389M61.3Low56.3Low101 Ų101113.6 Ų113.650%0.49856%0.56SS.*Hα-helixtrans-61.7-26.5173.9-1577362.900113.1E385 Q386 R393E385-M389 VanDerWaalsContact O-CB 3.29Å; E385-M389 WeakPolarHBondContact O-CB 3.41Å; E385-M389 PolarHBondContact O-N 2.82Å; Q386-M389 CarbonylContact O-C 3.59Å; Q386-M389 WeakPolarHBondContact O-CB 3.31Å; Q386-M389 PolarHBondContact O-N 2.77Å; M389-R393 WeakPolarHBondContact O-CB 3.45Å; M389-R393 PolarHBondContact O-N 2.92Å
390M61.7Low56.7Low113 Ų113110.9 Ų110.956%0.55756%0.56SS**Hα-helixtrans-79.7-42.9173.5-165-177.8-57.200111.2Q386 L387 N388 R393 V394Q386-M390 WeakPolarHBondContact O-CB 3.33Å; Q386-M390 PolarHBondContact O-N 2.67Å; L387-M390 WeakPolarHBondContact O-CB 3.38Å; L387-M390 PolarHBondContact O-N 3.09Å; L387-M390 VanDerWaalsContact O-N 3.14Å; N388-M390 PolarHBondContact O-N 2.95Å; M390-R393 PolarHBondContact O-N 2.64Å; M390-V394 WeakPolarHBondContact O-CG2 3.36Å; M390-V394 PolarHBondContact O-N 3.3Å
391V66.3Low56.5Low90 Ų90112.2 Ų112.255%0.54557%0.567SS.*Hα-helixtrans-62.3-43.6175.2170.20000111.4L387 N388 R393 V394 G395L387-V391 WeakPolarHBondContact O-CG2 3.12Å; L387-V391 PolarHBondContact O-N 3.21Å; N388-V391 PolarHBondContact O-N 3.39Å; N388-V391 VanDerWaalsContact O-N 3.17Å; V391-R393 VanDerWaalsContact C-N 3.33Å; V391-R393 PolarHBondContact O-N 2.97Å; V391-V394 PolarHBondContact O-N 2.95Å; V391-G395 PolarHBondContact O-N 3.26Å
392Y60.6Low55.9Low164 Ų164111 Ų11164%0.64357%0.565SS**Hα-helixtrans-62.8-37.8173.8-78.7-63.7000112.6N388 G395 D396N388-Y392 WeakPolarHBondContact O-CD2 3.39Å; N388-Y392 PolarHBondContact O-N 3.43Å; Y392-G395 WeakPolarHBondContact O-CA 3.42Å; Y392-G395 PolarHBondContact O-N 3.21Å; Y392-D396 PolarHBondContact O-N 3.22Å
393R59.4Low55.3Low150 Ų150107.2 Ų107.257%0.56656%0.555SS**Hα-helixtrans-68.8-44.4178.5-165.6-177.5-46-164.84.8112.4M389 M390 V391 G395 D396 E397M389-R393 WeakPolarHBondContact O-CB 3.45Å; M389-R393 PolarHBondContact O-N 2.92Å; M390-R393 PolarHBondContact O-N 2.64Å; V391-R393 VanDerWaalsContact C-N 3.33Å; V391-R393 PolarHBondContact O-N 2.97Å; R393-G395 VanDerWaalsContact C-N 3.25Å; R393-G395 PolarHBondContact O-N 2.96Å; R393-D396 PolarHBondContact O-N 3.5Å; R393-E397 WeakPolarHBondContact O-CB 3.17Å; R393-E397 WeakPolarHBondContact O-CG 3.16Å; R393-E397 PolarHBondContact O-N 3.4Å
394V65.9Low54.6Low72 Ų72107.2 Ų107.244%0.43657%0.565SS.*Hα-helixtrans-63.9-34.6171.8173.70000110.5M390 V391 E397 M398M390-V394 WeakPolarHBondContact O-CG2 3.36Å; M390-V394 PolarHBondContact O-N 3.3Å; V391-V394 PolarHBondContact O-N 2.95Å; V394-E397 PolarHBondContact O-N 2.86Å; V394-M398 HydrophobicContact CG1-CG 4.46Å; V394-M398 HydrophobicContact CG1-SD 4.25Å; V394-M398 WeakPolarHBondContact O-CB 3.42Å; V394-M398 VanDerWaalsContact O-CG 3.3Å; V394-M398 WeakPolarHBondContact O-CG 3.33Å; V394-M398 PolarHBondContact O-N 2.84Å
395G61.4Low53.6Low36 Ų36108.6 Ų108.637%0.37158%0.58SS.*Hα-helixtrans-60.8-45.9171.700000113.5V391 Y392 R393 M398 S399V391-G395 PolarHBondContact O-N 3.26Å; Y392-G395 WeakPolarHBondContact O-CA 3.42Å; Y392-G395 PolarHBondContact O-N 3.21Å; R393-G395 VanDerWaalsContact C-N 3.25Å; R393-G395 PolarHBondContact O-N 2.96Å; G395-M398 PolarHBondContact O-N 3.46Å; G395-S399 VanDerWaalsContact O-CB 3.25Å; G395-S399 WeakPolarHBondContact O-CB 3.5Å; G395-S399 PolarHBondContact O-N 2.89Å
396D56.9Low52.2Low118 Ų118108 Ų10863%0.63159%0.59SS**Hα-helixtrans-67.9-37.9175.1-100.71.9000112.4Y392 R393 S399 T400Y392-D396 PolarHBondContact O-N 3.22Å; R393-D396 PolarHBondContact O-N 3.5Å; D396-S399 PolarHBondContact O-N 2.94Å; D396-T400 PolarHBondContact O-N 2.86Å; D396-T400 PolarHBondContact O-OG1 3.22Å
397E57.3Low50.9Low111 Ų111111.4 Ų111.452%0.51961%0.606SS.*Hα-helixtrans-64.3-39.8173-73.1173.8-164.400111.4R393 V394 T400 L401R393-E397 WeakPolarHBondContact O-CB 3.17Å; R393-E397 WeakPolarHBondContact O-CG 3.16Å; R393-E397 PolarHBondContact O-N 3.4Å; V394-E397 PolarHBondContact O-N 2.86Å; E397-T400 WeakPolarHBondContact CA-OG1 3.33Å; E397-T400 PolarHBondContact O-OG1 2.91Å; E397-L401 VanDerWaalsContact O-CG 3.27Å; E397-L401 WeakPolarHBondContact O-CG 3.39Å; E397-L401 PolarHBondContact O-N 3.41Å; E397-L401 VanDerWaalsContact O-N 3.12Å
398M41.9Very low49.9Very low113 Ų113110 Ų11056%0.55762%0.615SS**Hα-helixtrans-71.5-35.1172.5-71.3-176.678.900112.8V394 G395 L401 L402V394-M398 HydrophobicContact CG1-CG 4.46Å; V394-M398 HydrophobicContact CG1-SD 4.25Å; V394-M398 WeakPolarHBondContact O-CB 3.42Å; V394-M398 VanDerWaalsContact O-CG 3.3Å; V394-M398 WeakPolarHBondContact O-CG 3.33Å; V394-M398 PolarHBondContact O-N 2.84Å; G395-M398 PolarHBondContact O-N 3.46Å; M398-L401 PolarHBondContact O-N 3.15Å; M398-L402 WeakPolarHBondContact O-CB 3.4Å; M398-L402 WeakPolarHBondContact O-CG 3.43Å; M398-L402 PolarHBondContact O-N 3.24Å
399S42.9Very low48.5Very low66 Ų66115.7 Ų115.746%0.46264%0.639SS.*Hα-helixtrans-65.9-37.4176.1-171.50000112.1G395 D396 L402 S403G395-S399 VanDerWaalsContact O-CB 3.25Å; G395-S399 WeakPolarHBondContact O-CB 3.5Å; G395-S399 PolarHBondContact O-N 2.89Å; D396-S399 PolarHBondContact O-N 2.94Å; S399-L402 PolarHBondContact O-N 2.8Å; S399-S403 PolarHBondContact O-N 2.93Å; S399-S403 PolarHBondContact O-OG 3.28Å
400T53.2Low47Very low102 Ų102116.2 Ų116.263%0.62665%0.653SS**Hα-helixtrans-72.2-29.117244.40000113D396 E397D396-T400 PolarHBondContact O-N 2.86Å; D396-T400 PolarHBondContact O-OG1 3.22Å; E397-T400 WeakPolarHBondContact CA-OG1 3.33Å; E397-T400 PolarHBondContact O-OG1 2.91Å
401L46.1Very low46.1Very low147 Ų147116.7 Ų116.777%0.7766%0.664SS**Hα-helixtrans-74.8-25.3171.1-71.7169.1000114.1E397 M398E397-L401 VanDerWaalsContact O-CG 3.27Å; E397-L401 WeakPolarHBondContact O-CG 3.39Å; E397-L401 PolarHBondContact O-N 3.41Å; E397-L401 VanDerWaalsContact O-N 3.12Å; M398-L401 PolarHBondContact O-N 3.15Å
402L38.3Very low44.3Very low148 Ų148117 Ų11778%0.77568%0.676SS**SBendtrans-89.6-2.9176.8-69.7171.1000113.7M398 S399M398-L402 WeakPolarHBondContact O-CB 3.4Å; M398-L402 WeakPolarHBondContact O-CG 3.43Å; M398-L402 PolarHBondContact O-N 3.24Å; S399-L402 PolarHBondContact O-N 2.8Å
403S41.6Very low42.9Very low71 Ų71120.3 Ų120.350%0.49769%0.688SS.*SBendtrans-76.4132.1174.4-680000111.1S399S399-S403 PolarHBondContact O-N 2.93Å; S399-S403 PolarHBondContact O-OG 3.28Å
404P37.8Very low41.4Very low117 Ų117124.8 Ų124.876%0.7670%0.704SS**PPolyproline II helixtrans-67.5140.5-173.926.5-34.6000112.3S406P404-S406 PolarHBondContact O-N 2.91Å
405P35.8Very low39.9Very low125 Ų125127 Ų12781%0.81272%0.72SS**PPolyproline II helixtrans-69.5118.9-173.827.3-34.8000111.8Q407P405-Q407 PolarHBondContact O-N 3.45Å
406S35.7Very low38.3Very low116 Ų116130.2 Ų130.281%0.81174%0.737SS**PPolyproline II helixtrans-66.9118.7170.250.60000110.1P404 G408P404-S406 PolarHBondContact O-N 2.91Å; S406-G408 PolarHBondContact O-N 3.3Å; S406-G408 VanDerWaalsContact O-N 3.17Å
407Q34.6Very low36.9Very low196 Ų196136 Ų13692%0.91675%0.75SS**PPolyproline II helixtrans-61.3120.1174.8-73-175.1-17.700109.8P405P405-Q407 PolarHBondContact O-N 3.45Å
408G32.1Very low35.5Very low70 Ų70135.4 Ų135.472%0.72276%0.764SS**PPolyproline II helixtrans-76.9169.7-172.400000114.6S406S406-G408 PolarHBondContact O-N 3.3Å; S406-G408 VanDerWaalsContact O-N 3.17Å
409Q28.6Very low34.8Very low203 Ų203138.4 Ų138.495%0.94978%0.777SS**  trans-107.4129.7161.1-68.5-170.11.600110.2
410S28.8Very low34.8Very low113 Ų113140.4 Ų140.479%0.7979%0.788SS**  trans-103.8-178.7178.1-56.60000110.3
411P43.6Very low33.7Very low123 Ų123140.4 Ų140.480%0.79980%0.799SS**  -130.6138.3-71.436.2-22.2000112.4
412A28.4Very low32.9Very low95 Ų95136.7 Ų136.779%0.78580%0.796SS**  trans-152.6131173.700000115.3
413R29.7Very low32.5Very low235 Ų235135 Ų13589%0.88780%0.796SS**  trans60.2106.2155.1-59.5173.2-176.5-85.3-1.9118.7
414R29.9Very low31.9Very low244 Ų244136.8 Ų136.892%0.92181%0.809SS**  trans-67.5148133.6-73.6-175.5170.7-172.9-2.6108.4
415P33.9Very low31.5Very low117 Ų117135.3 Ų135.376%0.7681%0.814SS**  -144.6137.595.936.6-21.1000116
416S26.5Very low31.2Very low104 Ų104134 Ų13473%0.72782%0.815SS**  trans32.1114.4132.9174.80000121.1
417R28.6Very low30.9Very low239 Ų239134 Ų13490%0.90281%0.814SS**  70.899.2130-171.1-168.4-173.1177.83.6119.3
418A27.4Very low30.9Very low99 Ų99129 Ų12982%0.81880%0.801SS**  trans-161.9117.9141.800000112.7
419E28.2Very low30.8Very low176 Ų176130.6 Ų130.682%0.82280%0.797SS**  trans-79.5165.9141.9-79.7-73.7147.200108
420P42.7Very low30.9Very low109 Ų109129.8 Ų129.871%0.70879%0.793SS**  cis-136.1175.89.442.3-26.3000116.5
421A29.8Very low30.9Very low102 Ų102128.8 Ų128.884%0.84379%0.792SS**  trans63.5154.6154.400000119
422G28.5Very low30.3Very low69 Ų69128.3 Ų128.371%0.71179%0.791SS**  cis166.9161.3-9.400000113.3
423S29.9Very low31.4Very low111 Ų111130 Ų13078%0.77680%0.795SS**  trans62.5116.5164.6-150.70000120.8
424S30.1Very low31.6Very low110 Ų110128.9 Ų128.977%0.76979%0.79SS**  trans52.1123134.465.60000122
425G28.3Very low32Very low85 Ų85126.3 Ų126.388%0.87678%0.781SS**  trans-169.9116.6158.900000111.7
426A29.6Very low31.7Very low99 Ų99128.6 Ų128.682%0.81878%0.783SS**  trans-104.7151.4-169.500000114
427S30.8Very low31.8Very low115 Ų115127.8 Ų127.880%0.80478%0.782SS**  trans63.6137.9148-154.30000120
428S33Very low31.9Very low92 Ų92120.9 Ų120.964%0.64378%0.777SS**  168.6124.796.4-160.20000115.6
429T30.1Very low31.9Very low103 Ų103123.9 Ų123.963%0.63278%0.779SS**  trans55.4130.7138.955.40000124.8
430Q31.4Very low32Very low186 Ų186126.4 Ų126.487%0.86978%0.781SS**  trans71.9149.5135.2-70.3178.922.100119.6
431A27.9Very low31.3Very low91 Ų91128.2 Ų128.275%0.75278%0.783SS**  cis-158.9169.8-11.200000111.5
432S31.5Very low31.4Very low113 Ų113133.8 Ų133.879%0.7978%0.782SS**  trans-80165.9178.9-440000114.4
433P51.9Low31.6Very low132 Ų132136.1 Ų136.186%0.85778%0.783SS**  -146.8-152.39338.7-19.3000115.7
434R34Very low31.6Very low210 Ų210133.6 Ų133.679%0.79278%0.775SS**  trans-128.2156.9-153.6-67.4173.1157.8-177-5.1117.3
435R37.4Very low31.9Very low191 Ų191132.7 Ų132.772%0.72176%0.761SS**  trans83.2135.9134-93.3179.9-173.2-172.21.3124.9
436M28.4Very low32.5Very low165 Ų165138.5 Ų138.581%0.81376%0.758SS**  trans70.9155.3148.1-56.5-75-17500120.5
437A28.4Very low32.6Very low86 Ų86140 Ų14071%0.71176%0.757SS**  cis-173.4155.1-29.200000114.4
438A30.7Very low32.5Very low95 Ų95143.4 Ų143.479%0.78576%0.76SS**  trans78.6110.5148.800000127.6
439N27.9Very low32.3Very low161 Ų161147.6 Ų147.686%0.86177%0.769SS**  trans33.8140.8134.4-67.51.9000128.3
440R29.1Very low32.5Very low229 Ų229152.3 Ų152.386%0.86478%0.784SS**  -179137.5129.2-107.6178.5176.1-156-0.9118.2
441I28.1Very low33.3Very low148 Ų148150.5 Ų150.576%0.75978%0.78SS**  trans71.7153.7145.1-73.5168.5000119.1
442R32.6Very low33.4Very low218 Ų218156.5 Ų156.582%0.82378%0.784SS**  cis-180173.2-26.6-176.5172.4177.8-176-1.8109.7
443T31.7Very low33.2Very low118 Ų118158 Ų15872%0.72479%0.788SS**  -157.8144.3-73.1500000111.5
444G30.7Very low31.8Very low59 Ų59159.8 Ų159.861%0.60878%0.782SS**  trans168.9169.5167.200000113
445L36.1Very low31.4Very low91 Ų91160.1 Ų160.148%0.47679%0.79SS.*  cis-137.6-121.3-11.2-151.1127.2000113.3D460L445-D460 WeakPolarHBondContact CD1-OD1 3.43Å
446Y40.3Very low31Very low207 Ų207156.6 Ų156.681%0.81278%0.783SS**  trans-153.4132.9-166.1-101.4-89.6000119.7
447V32.6Very low30.9Very low131 Ų131157.9 Ų157.979%0.79479%0.787SS**  174.9126.2122.5152.20000111.2
448E27.7Very low30.9Very low185 Ų185160.7 Ų160.786%0.86479%0.79SS**  trans47.1166.3170.4-67.8-147.3142.100122.4
449E29.6Very low31.2Very low180 Ų180160.4 Ų160.484%0.84178%0.778SS**  trans61.5107.2-177.1-66.1-163.7146.100119.6D451E449-D451 PolarHBondContact O-N 2.97Å
450E35Very low31.4Very low203 Ų203158.2 Ų158.295%0.94977%0.767SS**  trans-79.484.7158.8-67.7-177.9124.500111
451D47.1Very low31.7Very low148 Ų148150.6 Ų150.679%0.79175%0.753SS**  trans-166.695.5146.9-128.4-16000113.7E449E449-D451 PolarHBondContact O-N 2.97Å
452R29.6Very low31.9Very low217 Ų217148.4 Ų148.482%0.81976%0.756SS**  trans-173.3148.8156.5-107.2146.2-162.3149.39.4115.2
453V27.5Very low31.8Very low145 Ų145141.8 Ų141.888%0.87976%0.756SS**  trans-68.2127158.1-177.70000108.5F455V453-F455 PolarHBondContact O-N 3.44Å
454F22.8Very low31.8Very low169 Ų169144.7 Ų144.774%0.74177%0.768SS**  trans-78.8114.3-170.6-99.4-84.5000114.8M456F454-M456 HydrophobicContact CD1-CB 4.23Å; F454-M456 HydrophobicContact CD1-CG 4.39Å; F454-M456 HydrophobicContact CE1-CG 4.3Å; F454-M456 HydrophobicContact CE1-SD 4.39Å
455F25.8Very low31.8Very low217 Ų217145 Ų14595%0.95277%0.771SS**  trans-129.5147.9140.2-121.1-93000106.3V453V453-F455 PolarHBondContact O-N 3.44Å
456M28.6Very low31.5Very low117 Ų117146.2 Ų146.258%0.57679%0.787SS**  trans-142.5141.5-149.8-169.7-172.680.700116.8F454F454-M456 HydrophobicContact CD1-CB 4.23Å; F454-M456 HydrophobicContact CD1-CG 4.39Å; F454-M456 HydrophobicContact CE1-CG 4.3Å; F454-M456 HydrophobicContact CE1-SD 4.39Å
457E27.4Very low30.8Very low192 Ų192141.9 Ų141.990%0.89779%0.785SS**  trans-153.2143.4155.7-61.5-177.3112.500106.4
458D28.9Very low30.5Very low144 Ų144143 Ų14377%0.7779%0.785SS**  cis-145.7-139.9-14.3-168.661.8000110.8
459V35.4Very low30.3Very low90 Ų90140.7 Ų140.755%0.54578%0.784SS.*  trans-139.8154.4-145170.70000120
460D33.3Very low30.2Very low115 Ų115137.2 Ų137.262%0.61578%0.779SS**  trans87153.5164.8-125.122.4000119.7L445L445-D460 WeakPolarHBondContact CD1-OD1 3.43Å
461A33.9Very low30.8Very low69 Ų69133.7 Ų133.757%0.5777%0.774SS**  cis-158.5152.710.500000118
462A33.7Very low29.9Very low101 Ų101136.4 Ų136.484%0.83578%0.779SS**  trans23.2142.3150.100000128.2
463G30.7Very low29.9Very low80 Ų80131 Ų13183%0.82578%0.78SS**  trans147.879.4136.500000126.1
464D31.6Very low29.8Very low179 Ų179132 Ų13296%0.95778%0.78SS**  trans44.8150.3140.3-136.1-8.7000128.1
465G29.7Very low30.8Very low66 Ų66128.7 Ų128.768%0.6878%0.775SS**  trans12469.2141.200000129.4
466S30.3Very low31Very low116 Ų116128.1 Ų128.181%0.81177%0.772SS**  trans56.1117.3137.1-153.20000129.4
467C26Very low30.9Very low115 Ų115125.8 Ų125.878%0.77778%0.778SS**  trans63.6148130.1-56.20000129.8
468I25.7Very low30.8Very low155 Ų155122.7 Ų122.780%0.79578%0.778SS**  trans112.1106.1147.5-56.1-165.7000123
469V23.8Very low30.8Very low137 Ų137122 Ų12283%0.8378%0.779SS**  trans58.3147.6136.1-175.60000125.2
470S26.6Very low31.5Very low106 Ų106123.3 Ų123.374%0.74179%0.79SS**  trans-80-176.2-178.1-27.50000116.1
471P48.4Very low32.3Very low129 Ų129123 Ų12384%0.83879%0.793SS**  -155.4-168.85943.8-19.8000119.7
472K29.1Very low32Very low206 Ų206127.6 Ų127.690%0.89681%0.805SS**  trans-72.7162.9-172.3-48.3165.5177.5174.70117.2
473A28.1Very low31.8Very low103 Ų103129.9 Ų129.985%0.85180%0.799SS**  178.5160.9120.600000116.9
474L25.8Very low31.7Very low167 Ų167134.4 Ų134.487%0.87480%0.798SS**  trans-94.2-169.8169.1-129.575.5000109.6
475P44.3Very low31.6Very low98 Ų98135.7 Ų135.764%0.63680%0.795SS**  cis-146.9177.75.544.1-23.3000120.2
476K29.6Very low32.2Very low205 Ų205138.4 Ų138.489%0.89180%0.801SS**  trans53.9140.5140.8-74.2168179.7-178.20124
477G25.6Very low32Very low69 Ų69136.1 Ų136.171%0.71180%0.796SS**  trans146.6100.1131.900000122.6
478S26.7Very low32.9Very low126 Ų126137.3 Ų137.388%0.88180%0.802SS**  trans49.1147.5137.749.90000126.3
479T29.2Very low33Very low130 Ų130133.4 Ų133.480%0.79880%0.8SS**  trans-92.2-170.1175.954.20000113.8
480P48.9Very low33.3Very low118 Ų118133 Ų13377%0.76680%0.803SS**  cis-123.3-116.9-17.827.9-2.3000111.2
481P50.3Low33.3Very low107 Ų107131.1 Ų131.170%0.69580%0.8SS**  cis-136.8156.3-43.137.2-17.6000119.1
482M27.4Very low32.3Very low167 Ų167131.7 Ų131.782%0.82380%0.795SS**  trans74.3151.1141.1-113.5166.567.100127.4
483Q30.2Very low32.3Very low149 Ų149129.5 Ų129.570%0.69679%0.793SS**  trans100.8105.6149.3-75.7-178.3-1.900125.3
484Q27.6Very low32.2Very low174 Ų174128.7 Ų128.781%0.81380%0.795SS**  56.9122.2127.5-59.9-175.28.500126.2
485K31.1Very low32.2Very low207 Ų207132.5 Ų132.590%0.980%0.798SS**  trans30.8161.9130.1-87.8-171.5175.4-1790122.9
486P40.8Very low31.2Very low122 Ų122132.7 Ų132.779%0.79280%0.801SS**  cis-134.7-167.213.940-19.1000116.8
487G26.8Very low31.1Very low68 Ų68128.3 Ų128.370%0.70180%0.796SS**  trans-95.7-151.3169.800000113.5
488P45.6Very low31.1Very low141 Ų141129.2 Ų129.292%0.91680%0.798SS**  cis-142-16612.645.1-26.2000116.2
489G26.4Very low31.1Very low73 Ų73129.3 Ų129.375%0.75379%0.793SS**  trans138.399.3140.900000123.2
490S29.9Very low30.9Very low127 Ų127129 Ų12989%0.88879%0.791SS**  trans38143.4134.9-152.80000126.1
491G26.7Very low29.8Very low67 Ų67128.1 Ų128.169%0.69179%0.787SS**  trans118.7150152.800000116.9
492I28.8Very low28.6Very low141 Ų141132 Ų13272%0.72380%0.796SS**  cis176129.4-41.7-97.7167000106.4
493N29Very low28.6Very low161 Ų161133 Ų13386%0.86180%0.799SS**  trans32.3142.9154.4-50.2-5.2000123.6
494G26.2Very low29Very low86 Ų86131.2 Ų131.289%0.88780%0.8SS**  trans164.9117.9150.900000118.8
495W24.3Very low29Very low247 Ų247128.6 Ų128.694%0.93680%0.8SS**  trans-83.4146.6179.4-114.3-39000114.9
496S23.4Very low29.4Very low101 Ų101124.7 Ų124.771%0.70680%0.796SS**  trans62.6164.4138.7-48.30000119.7
497S28.4Very low28.7Very low113 Ų113123.8 Ų123.879%0.7980%0.799SS**  cis-163.1178.86.1-143.40000113.7
498A26.3Very low28.8Very low89 Ų89125 Ų12574%0.73680%0.803SS**  trans75.1147.1160.200000117.4
499T25Very low27.7Very low127 Ų127128.3 Ų128.378%0.77980%0.802SS**  cis-143.8-176.314.449.30000108.9
500T25.6Very low27.8Very low125 Ų125136.4 Ų136.477%0.76781%0.81SS**  cis-167.1170.9-3.42.50000106.4
501S25.9Very low28.2Very low98 Ų98136.2 Ų136.269%0.68581%0.806SS**  cis-165.1170.3-12.1-148.30000111.3
502E25.6Very low28Very low189 Ų189140.9 Ų140.988%0.88381%0.814SS**  trans63.2161.4155.8-52.8-138.5114.300122.4
503Q26.2Very low27.8Very low187 Ų187139.7 Ų139.787%0.87482%0.817SS**  trans-146.2-177.4-169.9-118.5-173.8-1000107.6
504P38.7Very low27.5Very low112 Ų112137.3 Ų137.373%0.72781%0.813SS**  cis-132.5-172.4-440.6-22.2000114.8
505C28.8Very low27.4Very low119 Ų119142.3 Ų142.380%0.80481%0.813SS**  trans-85.3163.9166.7-48.40000111.8
506P38.4Very low27.5Very low125 Ų125134.9 Ų134.981%0.81280%0.804SS**  -161.2-176.792.143-23.3000118.4
507A25.9Very low28.1Very low104 Ų104136 Ų13686%0.8681%0.809SS**  trans84.8160.3147.700000121
508A29.7Very low27.8Very low94 Ų94133.6 Ų133.678%0.77780%0.802SS**  trans-141.8161.3-164.100000114.1
509K23.3Very low27.6Very low210 Ų210137.8 Ų137.891%0.91381%0.812SS**  trans-175.3153.8152.6-103.9152.5-172.7176.70113.3
510R28.6Very low27.5Very low243 Ų243139.1 Ų139.192%0.91781%0.809SS**  trans-88.6154.9169.1-69.3-179.4175.9175.4-2.5111.8
511P37.5Very low27.9Very low122 Ų122138.2 Ų138.279%0.79281%0.806SS**  -127.1-176.7112.45.117.4000110.9
512L21.8Very low27.6Very low165 Ų165140.2 Ų140.286%0.86481%0.808SS**  cis-161.8179.7-32.7-176.151000107.2
513C24.4Very low28.4Very low117 Ų117136.4 Ų136.479%0.79180%0.799SS**  trans-128.8155.8-167.7-47.80000115.6
514S23.1Very low28.2Very low111 Ų111138.1 Ų138.178%0.77680%0.799SS**  trans-173.3148.8155.250.80000109.9
515H24.2Very low27.5Very low191 Ų191136.6 Ų136.688%0.88479%0.791SS**  cis-153.2161.3-24.6-118.8-83.4000108.3
516A26.3Very low27.4Very low91 Ų91138.8 Ų138.875%0.75280%0.795SS**  trans-86-174.7-177.400000113.1
517P36.5Very low26.7Very low125 Ų125136.2 Ų136.281%0.81279%0.791SS**  cis-123.4-172.320.843.6-28.1000114.2
518G22.1Very low26.7Very low61 Ų61143 Ų14363%0.62980%0.795SS**  cis122.3113.7-6.100000114.9
519N21.9Very low26.4Very low178 Ų178144.8 Ų144.895%0.95279%0.791SS**  trans-178.8145.6153.1-98.8-10.5000113.1
520E23.4Very low26.5Very low155 Ų155146.1 Ų146.172%0.72479%0.791SS**  trans-125.9-174.7166.7-126.5-148.1106.800107.4L522E520-L522 PolarHBondContact OE1-N 3.43Å
521P32.8Very low26.3Very low106 Ų106137.8 Ų137.869%0.68878%0.78SS**  cis-142.2178.620.644.4-24.3000118.7
522L21.4Very low26Very low140 Ų140138.8 Ų138.873%0.73378%0.778SS**  trans6.4171.3139.1-62.1177.9000122.4E520E520-L522 PolarHBondContact OE1-N 3.43Å
523P42Very low26.5Very low108 Ų108140.4 Ų140.470%0.70178%0.781SS**  cis-140.5174.1-33.137.4-20.4000115.3
524Y22.4Very low26.8Very low224 Ų224137.4 Ų137.488%0.87877%0.77SS**  trans-164.7176.1131.7-139.1-105.2000114
525S23.8Very low27.3Very low80 Ų80135.3 Ų135.356%0.55975%0.753SS**  trans-123.3169.5-154.2-39.40000117.2
526N26.5Very low27.7Very low165 Ų165129.5 Ų129.588%0.88274%0.738SS**  trans80.6133.5154.9-60.4-4.9000120.2
527G23.9Very low27.9Very low71 Ų71129.5 Ų129.573%0.73273%0.732SS**  trans175.3118.1165.600000112.8
528W24.5Very low27.7Very low245 Ų245130 Ų13093%0.92872%0.724SS**  trans-144.1155.9-177.6-80.363.7000108.4
529D24.3Very low28.5Very low132 Ų132130.8 Ų130.871%0.70672%0.717SS**  cis-167.2156.4-22.3172.950.8000107.7
530R25Very low29.2Very low239 Ų239123.2 Ų123.290%0.90268%0.679SS**  trans-167.6128.2161.2-139.6173.6178.4-175.9-3116.1
531G25.3Very low29.9Very low67 Ų67122.6 Ų122.669%0.69168%0.676SS**  trans96101.4140.300000117.5
532L30.7Very low30.2Very low143 Ų143120.8 Ų120.875%0.74966%0.662SS**  trans-148.485.5169.9-159.883.5000111.6T535L532-T535 HydrophobicContact CD1-CG2 4.02Å; L532-T535 HydrophobicContact CD2-CG2 4.32Å; L532-T535 HydrophobicContact CG-CG2 4.12Å
533E32.6Very low31.2Very low199 Ų199117.8 Ų117.893%0.9365%0.647SS**  trans-121.2-1.8-175.3-158.2157.4-144.500113.7
534G30.9Very low31Very low55 Ų55113.4 Ų113.457%0.56762%0.619SS**SBendtrans-95.5-21.7-179.800000116.2A536G534-A536 PolarHBondContact O-N 2.89Å
535T32.2Very low31.8Very low67 Ų67110.3 Ų110.341%0.41161%0.612SS.*Hα-helixtrans-75-18.1-164.147.80000115.4L532 T539L532-T535 HydrophobicContact CD1-CG2 4.02Å; L532-T535 HydrophobicContact CD2-CG2 4.32Å; L532-T535 HydrophobicContact CG-CG2 4.12Å; T535-T539 WeakPolarHBondContact O-CG2 3.21Å; T535-T539 PolarHBondContact O-N 3.26Å; T535-T539 PolarHBondContact O-OG1 3.46Å
536A32.6Very low32.6Very low69 Ų69115.7 Ų115.757%0.5762%0.621SS**Hα-helixtrans-73.1-42.8-179.400000112.5G534 T539 A540G534-A536 PolarHBondContact O-N 2.89Å; A536-T539 PolarHBondContact O-OG1 2.95Å; A536-T539 VanDerWaalsContact O-OG1 3.12Å; A536-A540 WeakPolarHBondContact O-CB 3.36Å; A536-A540 PolarHBondContact O-N 3.03Å
537S31.4Very low33.2Very low90 Ų90110.4 Ų110.463%0.62959%0.591SS**Hα-helixtrans-71.6-34.1-179.5-164.10000112.6A540 E541S537-A540 WeakPolarHBondContact O-CB 3.48Å; S537-E541 PolarHBondContact O-N 3.27Å
538E31.5Very low34Very low136 Ų136110.2 Ų110.264%0.63659%0.589SS**Hα-helixtrans-71.9-38.4178.3-167.2176-149.500111.5V542E538-V542 WeakPolarHBondContact O-CB 3.4Å; E538-V542 VanDerWaalsContact O-CG2 3.29Å; E538-V542 WeakPolarHBondContact O-CG2 3.43Å; E538-V542 PolarHBondContact O-N 3.37Å; E538-V542 VanDerWaalsContact O-N 3.12Å
539T38.9Very low34.4Very low78 Ų78101.1 Ų101.148%0.47957%0.571SS.*Hα-helixtrans-70.8-34.6174.848.70000112.7T535 A536 I543T535-T539 WeakPolarHBondContact O-CG2 3.21Å; T535-T539 PolarHBondContact O-N 3.26Å; T535-T539 PolarHBondContact O-OG1 3.46Å; A536-T539 PolarHBondContact O-OG1 2.95Å; A536-T539 VanDerWaalsContact O-OG1 3.12Å; T539-I543 WeakPolarHBondContact O-CB 3.29Å; T539-I543 WeakPolarHBondContact O-CD1 3.49Å; T539-I543 VanDerWaalsContact O-CG1 3.23Å; T539-I543 WeakPolarHBondContact O-CG1 3.4Å; T539-I543 PolarHBondContact O-N 3.49Å
540A36.5Very low35Very low19 Ų1999 Ų9916%0.15756%0.558CS.*Hα-helixtrans-53.4-54.3170.300000112.4A536 S537 I543 A544 I557A536-A540 WeakPolarHBondContact O-CB 3.36Å; A536-A540 PolarHBondContact O-N 3.03Å; S537-A540 WeakPolarHBondContact O-CB 3.48Å; A540-I543 PolarHBondContact O-N 3.45Å; A540-A544 PolarHBondContact O-N 3.05Å; A540-I557 HydrophobicContact CB-CD1 3.17Å
541E37.8Very low35.6Very low142 Ų14296.6 Ų96.666%0.66455%0.554SS**Hα-helixtrans-69.1-39.3-174.3-166.3162.1-144.100111.7S537 I543 A544 H545S537-E541 PolarHBondContact O-N 3.27Å; E541-I543 VanDerWaalsContact C-N 3.32Å; E541-I543 PolarHBondContact O-N 2.83Å; E541-A544 PolarHBondContact O-N 3.47Å; E541-H545 VanDerWaalsContact O-CB 3.23Å; E541-H545 WeakPolarHBondContact O-CB 3.41Å; E541-H545 PolarHBondContact O-N 3.03Å
542V39.3Very low36.2Very low67 Ų6795.6 Ų95.641%0.40653%0.533SS..Hα-helixtrans-63.7-34173.1170.50000112.4E538 R546E538-V542 WeakPolarHBondContact O-CB 3.4Å; E538-V542 VanDerWaalsContact O-CG2 3.29Å; E538-V542 WeakPolarHBondContact O-CG2 3.43Å; E538-V542 PolarHBondContact O-N 3.37Å; E538-V542 VanDerWaalsContact O-N 3.12Å; V542-R546 WeakPolarHBondContact O-CB 3.38Å; V542-R546 WeakPolarHBondContact O-CD 3.39Å; V542-R546 VanDerWaalsContact O-CG 3.23Å; V542-R546 WeakPolarHBondContact O-CG 3.46Å; V542-R546 PolarHBondContact O-N 3.34Å; V542-R546 VanDerWaalsContact O-N 3.15Å
543I44.1Very low36.6Very low78 Ų7889.6 Ų89.640%0.450%0.503SS..Hα-helixtrans-70.8-49.5174.4-72.3167.4000110.3T539 A540 E541 H545 R546 M547T539-I543 WeakPolarHBondContact O-CB 3.29Å; T539-I543 WeakPolarHBondContact O-CD1 3.49Å; T539-I543 VanDerWaalsContact O-CG1 3.23Å; T539-I543 WeakPolarHBondContact O-CG1 3.4Å; T539-I543 PolarHBondContact O-N 3.49Å; A540-I543 PolarHBondContact O-N 3.45Å; E541-I543 VanDerWaalsContact C-N 3.32Å; E541-I543 PolarHBondContact O-N 2.83Å; I543-H545 VanDerWaalsContact C-N 3.3Å; I543-H545 PolarHBondContact O-N 2.78Å; I543-R546 PolarHBondContact O-N 2.97Å; I543-M547 HydrophobicContact CG2-CG 4.48Å; I543-M547 HydrophobicContact CG2-SD 3.43Å; I543-M547 WeakPolarHBondContact CG2-SD 3.47Å; I543-M547 WeakPolarHBondContact O-CB 3.23Å; I543-M547 WeakPolarHBondContact O-CG 3.48Å; I543-M547 PolarHBondContact O-N 2.91Å
544A38Very low36.8Very low15 Ų1581.9 Ų81.912%0.12447%0.473CS..Hα-helixtrans-58.9-39.3177.400000112.7A540 E541 R546 M547 G548 G549 A554A540-A544 PolarHBondContact O-N 3.05Å; E541-A544 PolarHBondContact O-N 3.47Å; A544-R546 VanDerWaalsContact C-N 3.34Å; A544-M547 CarbonylContact O-C 3.55Å; A544-M547 PolarHBondContact O-N 3.27Å; A544-G548 PolarHBondContact O-N 3.43Å; A544-G549 PolarHBondContact O-N 3.4Å; A544-A554 HydrophobicContact CB-CB 3.76Å
545H38.5Very low37.5Very low160 Ų16081.7 Ų81.774%0.74146%0.461SS*.Hα-helixtrans-72.7-24177.5-160.8-47.4000112.9E541 I543E541-H545 VanDerWaalsContact O-CB 3.23Å; E541-H545 WeakPolarHBondContact O-CB 3.41Å; E541-H545 PolarHBondContact O-N 3.03Å; I543-H545 VanDerWaalsContact C-N 3.3Å; I543-H545 PolarHBondContact O-N 2.78Å
546R40.2Very low37.9Very low193 Ų19379 Ų7973%0.72844%0.444SS*.Hα-helixtrans-79.7-24168-73.4171.5-175.5-172.73.9112.9V542 I543 A544V542-R546 WeakPolarHBondContact O-CB 3.38Å; V542-R546 WeakPolarHBondContact O-CD 3.39Å; V542-R546 VanDerWaalsContact O-CG 3.23Å; V542-R546 WeakPolarHBondContact O-CG 3.46Å; V542-R546 PolarHBondContact O-N 3.34Å; V542-R546 VanDerWaalsContact O-N 3.15Å; I543-R546 PolarHBondContact O-N 2.97Å; A544-R546 VanDerWaalsContact C-N 3.34Å
547M39.4Very low38.4Very low54 Ų5477.7 Ų77.727%0.26643%0.427SS..THydrogen-bonded Turntrans-96.17.9-177.8-71.7171.353.800114.6I543 A544I543-M547 HydrophobicContact CG2-CG 4.48Å; I543-M547 HydrophobicContact CG2-SD 3.43Å; I543-M547 WeakPolarHBondContact CG2-SD 3.47Å; I543-M547 WeakPolarHBondContact O-CB 3.23Å; I543-M547 WeakPolarHBondContact O-CG 3.48Å; I543-M547 PolarHBondContact O-N 2.91Å; A544-M547 CarbonylContact O-C 3.55Å; A544-M547 PolarHBondContact O-N 3.27Å
548G41.2Very low38.8Very low66 Ų6677 Ų7768%0.6841%0.413SS*.THydrogen-bonded Turntrans93.411.6172.700000116.3A544 M550A544-G548 PolarHBondContact O-N 3.43Å; G548-M550 PolarHBondContact O-N 3.21Å
549G31.4Very low39Very low54 Ų5474.9 Ų74.956%0.55741%0.406SS*.  trans76.120.4162.400000117.3A544 K551A544-G549 PolarHBondContact O-N 3.4Å; G549-K551 PolarHBondContact O-N 3.14Å
550M37.6Very low38.7Very low88 Ų8875 Ų7543%0.43341%0.408SS..  trans-81.6113176-59.7-174.7110.100111.1Q100 G548 L552 S553 A554Q100-M550 VanDerWaalsContact NE2-CE 3.27Å; Q100-M550 PolarHBondContact NE2-SD 3.04Å; Q100-M550 VanDerWaalsContact NE2-SD 3.4Å; G548-M550 PolarHBondContact O-N 3.21Å; M550-L552 PolarHBondContact O-N 3.22Å; M550-S553 WeakPolarHBondContact O-CB 3.43Å; M550-S553 PolarHBondContact O-N 2.9Å; M550-S553 PolarHBondContact O-OG 3.27Å; M550-A554 PolarHBondContact O-N 3.38Å
551K38Very low38.5Very low188 Ų18881 Ų8182%0.81743%0.433SS*.G310 helixtrans-51.8-44-171.8-78.1-173.8172.9-176.40114.7G549 S553 A554G549-K551 PolarHBondContact O-N 3.14Å; K551-S553 VanDerWaalsContact C-N 3.28Å; K551-S553 PolarHBondContact O-N 3.36Å; K551-A554 WeakPolarHBondContact O-CB 3.37Å; K551-A554 PolarHBondContact O-N 3.17Å; K551-A554 VanDerWaalsContact O-N 3.14Å
552L37.7Very low38.1Very low46 Ų4677.7 Ų77.724%0.24143%0.425CS..G310 helixtrans-65.7-29.5179.8-65.8171.4000112.9I92 L97 M179 M550 A554I92-L552 HydrophobicContact CG2-CD1 4.18Å; L97-L552 HydrophobicContact CD1-CD1 4.5Å; M179-L552 HydrophobicContact SD-CD2 4.32Å; M550-L552 PolarHBondContact O-N 3.22Å; L552-A554 VanDerWaalsContact C-N 3.28Å; L552-A554 PolarHBondContact O-N 2.91Å
553S39.8Very low37.6Very low18 Ų1879.5 Ų79.513%0.12644%0.438CS..G310 helixtrans-75.7-16176.2750000113.6M550 K551M550-S553 WeakPolarHBondContact O-CB 3.43Å; M550-S553 PolarHBondContact O-N 2.9Å; M550-S553 PolarHBondContact O-OG 3.27Å; K551-S553 VanDerWaalsContact C-N 3.28Å; K551-S553 PolarHBondContact O-N 3.36Å
554A35.8Very low36.9Very low36 Ų3678.3 Ų78.330%0.29844%0.437SS..G310 helixtrans-83.2-16.3179.900000113.4A544 M550 K551 L552 I557A544-A554 HydrophobicContact CB-CB 3.76Å; M550-A554 PolarHBondContact O-N 3.38Å; K551-A554 WeakPolarHBondContact O-CB 3.37Å; K551-A554 PolarHBondContact O-N 3.17Å; K551-A554 VanDerWaalsContact O-N 3.14Å; L552-A554 VanDerWaalsContact C-N 3.28Å; L552-A554 PolarHBondContact O-N 2.91Å; A554-I557 WeakPolarHBondContact O-CD1 3.45Å; A554-I557 WeakPolarHBondContact O-CG1 3.49Å
555T44.7Very low36.7Very low51 Ų5185 Ų8531%0.31347%0.47SS..SBendtrans-77.8-20.8179.1-44.10000112.7I114 M179 I557I114-T555 HydrophobicContact CG2-CG2 4.02Å; M179-T555 HydrophobicContact CE-CG2 4.29Å; T555-I557 PolarHBondContact O-N 3.35Å
556V42.4Very low36.5Very low11 Ų1182.6 Ų82.67%0.06747%0.466CS..  trans-8880.2175.6-172.90000109.4C107 Y175 M179C107-V556 HydrophobicContact CB-CG1 4.09Å; Y175-V556 WeakPolarHBondContact OH-CG2 3.35Å; M179-V556 HydrophobicContact CE-CG2 3.94Å
557I41.4Very low36.1Very low41 Ų4179.5 Ų79.521%0.2146%0.46CS..  trans-96.6122.2178.9-50.2-160.3000110.2M115 A540 A554 T555 N559M115-I557 HydrophobicContact CE-CB 4.29Å; M115-I557 HydrophobicContact CE-CD1 3.41Å; M115-I557 VanDerWaalsContact CE-CD1 3.41Å; M115-I557 HydrophobicContact CE-CG1 3.68Å; M115-I557 HydrophobicContact CG-CB 3.94Å; M115-I557 HydrophobicContact CG-CG1 4.28Å; M115-I557 HydrophobicContact SD-CB 3.66Å; M115-I557 HydrophobicContact SD-CD1 3.66Å; M115-I557 HydrophobicContact SD-CG1 3.74Å; M115-I557 HydrophobicContact SD-CG2 4.35Å; A540-I557 HydrophobicContact CB-CD1 3.17Å; A554-I557 WeakPolarHBondContact O-CD1 3.45Å; A554-I557 WeakPolarHBondContact O-CG1 3.49Å; T555-I557 PolarHBondContact O-N 3.35Å; I557-N559 PolarHBondContact O-N 2.85Å
558F41.7Very low35.8Very low76 Ų7684 Ų8433%0.33348%0.484SS..  trans-69.4101.1-176-60.5-86.6000112.1F103 P560F103-F558 HydrophobicContact CZ-CZ 4.08Å; F558-P560 WeakPolarHBondContact O-CD 3.3Å
559N34.1Very low35.5Very low92 Ų9284.9 Ų84.949%0.49249%0.486SS..  trans-97.299.5150-175.32.1000109.4I557 H561I557-N559 PolarHBondContact O-N 2.85Å; N559-H561 PolarHBondContact O-N 3.43Å; N559-H561 PolarHBondContact OD1-N 3.18Å; N559-H561 PolarHBondContact OD1-O 3.46Å
560P34Very low35.8Very low80 Ų8087.9 Ų87.952%0.51949%0.493SS..  trans-74.1-4.9177.131.4-35.7000113.7F558 V590F558-P560 WeakPolarHBondContact O-CD 3.3Å; P560-V590 HydrophobicContact CB-CG1 4.27Å
561H30.7Very low35.5Very low146 Ų14691 Ų9168%0.67651%0.512SS*.  trans-134.873.5-174.4-64.4-37.2000112.8N559N559-H561 PolarHBondContact O-N 3.43Å; N559-H561 PolarHBondContact OD1-N 3.18Å; N559-H561 PolarHBondContact OD1-O 3.46Å
562S29.4Very low35.4Very low72 Ų7291.7 Ų91.750%0.50351%0.514SS..  trans-92112.5148.159.70000108.5
563P29.4Very low35.1Very low104 Ų10497.5 Ų97.568%0.67555%0.545SS*.  trans-63.4151.4174.728.1-34.4000110.3
564S28.8Very low34.7Very low53 Ų53104.6 Ų104.637%0.37158%0.581SS.*  trans-70.9139.7-176.973.60000110.8T566 E567S564-T566 WeakPolarHBondContact CB-OG1 3.26Å; S564-T566 PolarHBondContact O-N 3.45Å; S564-T566 PolarHBondContact OG-OG1 2.86Å; S564-E567 PolarHBondContact N-OE2 2.83Å; S564-E567 PolarHBondContact O-N 3.24Å; S564-E567 PolarHBondContact OG-OE2 3.49Å
565L34.3Very low34.4Very low156 Ų156111 Ų11182%0.81761%0.609SS**THydrogen-bonded Turntrans-59.6-13.1176.2-87166000113.5
566T33.7Very low34Very low109 Ų109113.8 Ų113.867%0.66963%0.628SS**THydrogen-bonded Turntrans-69.8-29.1171.112.10000114.8S564S564-T566 WeakPolarHBondContact CB-OG1 3.26Å; S564-T566 PolarHBondContact O-N 3.45Å; S564-T566 PolarHBondContact OG-OG1 2.86Å
567E33.4Very low33.2Very low128 Ų128124.8 Ų124.860%0.59867%0.668SS**G310 helixtrans-81.2-29.5-175.1-73.9170.3113.200112.8S564 A569 V570S564-E567 PolarHBondContact N-OE2 2.83Å; S564-E567 PolarHBondContact O-N 3.24Å; S564-E567 PolarHBondContact OG-OE2 3.49Å; E567-A569 PolarHBondContact O-N 2.94Å; E567-A569 VanDerWaalsContact O-N 3.08Å; E567-V570 PolarHBondContact O-N 3.02Å
568L32.5Very low32.6Very low148 Ų148128.8 Ų128.878%0.77570%0.696SS**G310 helixtrans-65.5-7.9175.7-96.3160.2000114.4
569A34.8Very low31.8Very low86 Ų86130.1 Ų130.171%0.71172%0.722SS**G310 helixtrans-94.2-9.1-177.100000114.8E567E567-A569 PolarHBondContact O-N 2.94Å; E567-A569 VanDerWaalsContact O-N 3.08Å
570V37.8Very low31.6Very low117 Ų117130.8 Ų130.871%0.70974%0.74SS**THydrogen-bonded Turntrans-102-28.5-167.6-1740000113.8E567 K572E567-V570 PolarHBondContact O-N 3.02Å; V570-K572 PolarHBondContact O-N 3.21Å
571D30.6Very low31.3Very low154 Ų154132.1 Ų132.182%0.82475%0.751SS**  trans-81.956.9-169.5-160.122.1000114.5
572K36.3Very low31.3Very low202 Ų202134.3 Ų134.388%0.87876%0.762SS**  trans-142.740.6170.1-94-154176.9-177.60115V570V570-K572 PolarHBondContact O-N 3.21Å
573L31.1Very low31.2Very low167 Ų167139 Ų13987%0.87478%0.779SS**  trans-142.8125.9156.5-89.2179.5000111.5
574L32.5Very low31Very low168 Ų168142.6 Ų142.688%0.8879%0.787SS**  trans-82141.2-177.1-67.8163.7000112.5
575L29.1Very low31Very low169 Ų169146.2 Ų146.289%0.88581%0.81SS**  175.2158.1127-89.7167.8000110.7
576P37Very low30.5Very low110 Ų110143.9 Ų143.971%0.71481%0.805SS**  trans-123.2150-151.240.9-30.5000118.3
577R25.4Very low30.4Very low243 Ų243140.6 Ų140.692%0.91779%0.793SS**  trans171.2165.5150.6-107.1178.3166.6166.7-3.8111.5
578P27.6Very low30.3Very low124 Ų124140.7 Ų140.781%0.80580%0.804SS**  cis-118.9-160.2-36.338.3-21.7000110.9
579A25.4Very low30.3Very low104 Ų104136.5 Ų136.586%0.8678%0.783SS**  trans-81.8161.4-175.800000115.1
580A30.8Very low30.4Very low106 Ų106136.2 Ų136.288%0.87677%0.772SS**  trans-85.8172.8-162.900000117
581S26.3Very low30.1Very low108 Ų108133.7 Ų133.776%0.75576%0.763SS**  trans-140.9115.1157.859.50000111.4
582E30.7Very low30.3Very low193 Ų193128.3 Ų128.390%0.90274%0.736SS**  trans43104.5150.2-61.1177.7-17900120.2
583I27.8Very low30.3Very low170 Ų170124.9 Ų124.987%0.87272%0.723SS**  trans-136.5133.1152.9-61.8-178.4000108
584E25.3Very low30.6Very low179 Ų179119.1 Ų119.184%0.83670%0.696SS**  trans-75.8147.3175.5-77.7-169.3115.500113.1C586E584-C586 PolarHBondContact O-N 3.38Å
585P27.6Very low31Very low130 Ų130112 Ų11284%0.84466%0.659SS**  trans-76.1104.3174.931.2-33.7000111.6
586C25.1Very low31.5Very low106 Ų106105.3 Ų105.372%0.71662%0.624SS**  trans-88.1115.6177.1-128.30000112.3R43 E584R43-C586 PolarHBondContact NH2-SG 2.98Å; E584-C586 PolarHBondContact O-N 3.38Å
587G31.1Very low31.3Very low41 Ų41107 Ų10742%0.42363%0.627SS.*  trans-76.3-167.8178.400000115.5R43 L589R43-G587 PolarHBondContact NH2-O 3.22Å; G587-L589 PolarHBondContact O-N 2.69Å
588P30.4Very low31.9Very low129 Ų12998.6 Ų98.684%0.83861%0.605SS**SBendtrans-66.5100-161.126.6-36.1000114.1
589L34.3Very low32Very low60 Ų6096.5 Ų96.531%0.31459%0.593SS.*  trans-133.8-0.7166.6-90.7179.8000113.5R43 G587 A591 T592R43-L589 HydrophobicContact CG-CD1 3.92Å; R43-L589 HydrophobicContact CG-CD2 4.04Å; R43-L589 HydrophobicContact CG-CG 3.87Å; G587-L589 PolarHBondContact O-N 2.69Å; L589-A591 VanDerWaalsContact C-N 3.26Å; L589-A591 PolarHBondContact O-N 3.32Å; L589-T592 PolarHBondContact O-OG1 2.93Å
590V36.3Very low32.1Very low80 Ų8098.1 Ų98.149%0.48559%0.592SS.*Hα-helixtrans-63.6-31.7-175.1-178.60000112.3P560 T592 H593P560-V590 HydrophobicContact CB-CG1 4.27Å; V590-T592 PolarHBondContact O-N 3Å; V590-H593 PolarHBondContact O-N 2.69Å
591A31.6Very low31.9Very low64 Ų6499.6 Ų99.653%0.52959%0.594SS.*Hα-helixtrans-63.7-31.9-175.200000114.7L589L589-A591 VanDerWaalsContact C-N 3.26Å; L589-A591 PolarHBondContact O-N 3.32Å
592T35.3Very low31.9Very low42 Ų42100.4 Ų100.426%0.25860%0.598SS.*Hα-helixtrans-80.1-28.6177.1420000112.7L589 V590 C594 L595L589-T592 PolarHBondContact O-OG1 2.93Å; V590-T592 PolarHBondContact O-N 3Å; T592-C594 PolarHBondContact O-N 3.45Å; T592-L595 PolarHBondContact O-N 3.39Å
593H35.8Very low31.6Very low129 Ų12994.9 Ų94.960%0.59759%0.593SS**Hα-helixtrans-70.2-13.6-177.8-155.7-47.1000113.3V590V590-H593 PolarHBondContact O-N 2.69Å
594C37.1Very low31.7Very low46 Ų4692.1 Ų92.131%0.31159%0.589SS.*THydrogen-bonded Turntrans-78-14.3178.5-64.60000114.5A110 T592A110-C594 HydrophobicContact CB-CB 3.86Å; T592-C594 PolarHBondContact O-N 3.45Å
595L40.2Very low31.8Very low20 Ų2089.8 Ų89.811%0.10559%0.591CS.*THydrogen-bonded Turntrans-94.1-9-171.8-67.5173.3000115.2F56 F103 T592F56-L595 HydrophobicContact CE1-CB 4.36Å; F56-L595 HydrophobicContact CE1-CD2 4.45Å; F103-L595 HydrophobicContact CE2-CD2 4.26Å; T592-L595 PolarHBondContact O-N 3.39Å
596L41.4Very low31.9Very low28 Ų2892.9 Ų92.915%0.14759%0.594CS.*  trans-119.3-3.2-156.1-64.2159.2000114.6A34 L37 D38 S598A34-L596 HydrophobicContact CB-CD2 4.27Å; L37-L596 HydrophobicContact CD2-CD2 4.38Å; L37-L596 HydrophobicContact CG-CD1 4.45Å; D38-L596 WeakPolarHBondContact OD1-CD1 3.43Å; L596-S598 VanDerWaalsContact C-N 3.31Å; L596-S598 PolarHBondContact O-N 3.03Å; L596-S598 VanDerWaalsContact O-N 3.08Å
597N32.2Very low32.2Very low145 Ų14595.8 Ų95.878%0.77560%0.603SS**THydrogen-bonded Turntrans-86.243.2-174.4-95.4-9.8000114.9
598S36.8Very low32.1Very low66 Ų6698.3 Ų98.346%0.46262%0.619SS.*THydrogen-bonded Turntrans-114.7-13.4175.755.50000115.2L596L596-S598 VanDerWaalsContact C-N 3.31Å; L596-S598 PolarHBondContact O-N 3.03Å; L596-S598 VanDerWaalsContact O-N 3.08Å
599C30.5Very low32.1Very low80 Ų80101.2 Ų101.254%0.54162%0.621SS.*  trans-119.483.1-173-83.20000114.3
600V27.6Very low31.7Very low139 Ų139106.1 Ų106.184%0.84265%0.648SS**  trans-135.1103.1158.9-175.70000111.1
601C25.8Very low31.4Very low137 Ų137109.8 Ų109.893%0.92667%0.665SS**  trans-144.3108.9159.7-90.80000108.7
602C28Very low31.2Very low125 Ų125110.1 Ų110.185%0.84567%0.674SS**  trans-145.9111.7167.3-165.30000108.7
603G24.4Very low30.7Very low77 Ų77111.8 Ų111.879%0.79470%0.7SS**  trans-114.6127.9173.700000109.5
604S29.3Very low30.2Very low112 Ų112112.9 Ų112.978%0.78372%0.715SS**  trans-130.8132.2168.3-68.40000108.3
605C27.4Very low29.8Very low130 Ų130115 Ų11588%0.87874%0.736SS**  trans-117.8143.7172.7-58.20000108.5
606E28.8Very low29.2Very low195 Ų195118.7 Ų118.791%0.91176%0.764SS**  trans-131.4141.7165.1-64.7-169.3119.400108.4
607D31.8Very low28.5Very low167 Ų167124 Ų12489%0.89379%0.792SS**  trans-73.4173.3-179.5-60.7-68.5000111.3
608A29.3Very low28.3Very low93 Ų93123.4 Ų123.477%0.76979%0.794SS**  cis-160.1-174.126.200000114.5
609H30.2Very low27.8Very low191 Ų191125.5 Ų125.588%0.88482%0.815SS**  trans-50.9152.5177.4-68.5-99000117.4
610D26.6Very low27.5Very low163 Ų163125.5 Ų125.587%0.87283%0.829SS**  -149.1172.7125.9-151.1-6.2000111.1
611D28.9Very low27.4Very low156 Ų156126.6 Ų126.683%0.83483%0.829SS**  trans-135.9145.7-167.9-171.515.4000114.5
612G27.2Very low27.2Very low71 Ų71127.8 Ų127.873%0.73282%0.821SS**  trans81.7154.3161.700000119.7
613G25.1Very low27.1Very low78 Ų78129.6 Ų129.680%0.80482%0.821SS**  trans138.4126.9164.500000115.6
614V26.3Very low27.1Very low151 Ų151129.6 Ų129.692%0.91582%0.821SS**  trans-142.5137.3-178.7-174.80000111.2
615A27.9Very low27Very low90 Ų90133 Ų13374%0.74483%0.83SS**  trans149.7136.2133.600000117
616S27.9Very low26.8Very low98 Ų98131.6 Ų131.669%0.68583%0.828SS**  trans52.8123.1142.7-80.70000125.3
617D27.1Very low26.6Very low139 Ų139131.2 Ų131.274%0.74383%0.831SS**  53.9128.9123-44.7-48.7000120
618T27.2Very low26.2Very low133 Ų133127 Ų12782%0.81683%0.827SS**  cis-163.3148.747.141.50000114.7
619A27.1Very low26.1Very low110 Ų110130.2 Ų130.291%0.90983%0.831SS**  trans21.9130.4151.500000123.5
620G24.2Very low25.7Very low80 Ų80128.2 Ų128.283%0.82583%0.826SS**  trans168.296.4156.900000118.5
621L24.9Very low25.7Very low163 Ų163128.8 Ų128.885%0.85382%0.821SS**  trans32.4125.4149.8-87.5153.9000123.7
622E21.3Very low25.5Very low161 Ų161130 Ų13075%0.75282%0.821SS**  89.8123.1129.2-152.3161.8-159.600122.6
623L25.8Very low25.3Very low163 Ų163131.5 Ų131.585%0.85382%0.819SS**  trans39.8109.1157.5-76.3163.3000121.6
624G25Very low25.2Very low77 Ų77137 Ų13779%0.79482%0.821SS**  trans-161.8142.1157.400000112.4
625L26.3Very low25.1Very low185 Ų185135.5 Ų135.597%0.96981%0.813SS**  trans-86.8138.5172.5-81.979.1000110.8
626A24.6Very low25.1Very low100 Ų100137.4 Ų137.483%0.82682%0.817SS**  trans-151142.1155.700000110.1
627L24.4Very low24.8Very low187 Ų187136.9 Ų136.998%0.97982%0.819SS**  trans-95138165.4-74.3168.7000108.6
628G22.7Very low24.8Very low79 Ų79136 Ų13681%0.81482%0.824SS**  trans-156.7120.2174.800000110.2
629L27.7Very low24.6Very low160 Ų160134.9 Ų134.984%0.83882%0.822SS**  trans-79.2146.9169.4-85.1157.7000109.5
630D21.8Very low24.5Very low149 Ų149133.7 Ų133.780%0.79781%0.811SS**  trans-147.4154.8134-145.1-32.6000110.9
631K27Very low24.4Very low175 Ų175135.2 Ų135.276%0.76181%0.805SS**  trans-145.7114.7179.2-81.5-176176177.30109.7
632H25.1Very low24.5Very low180 Ų180135.6 Ų135.683%0.83381%0.806SS**  trans-129.196165.6-113.8-89.3000114.1
633C22.5Very low24.7Very low103 Ų103136 Ų13670%0.69681%0.808SS**  trans41.6111.8131.3-1620000119.5
634K22.3Very low24.7Very low193 Ų193134.2 Ų134.284%0.83981%0.809SS**  -165.4160.3106.1-106.1165.9-175171.20116.1
635T23.9Very low24.7Very low121 Ų121135 Ų13574%0.74281%0.808SS**  trans-47161.9173.611.60000115.6
636P28.7Very low24.6Very low129 Ų129130.6 Ų130.684%0.83880%0.798SS**  -137.6178.853.740.6-23000117.1
637A22.1Very low24.6Very low88 Ų88131.4 Ų131.473%0.72780%0.796SS**  trans-116.8158.3177.700000111.9
638S25.3Very low24.6Very low120 Ų120131.7 Ų131.784%0.83979%0.793SS**  166159.6127.848.80000113.6
639S23.9Very low24.8Very low110 Ų110135.7 Ų135.777%0.76980%0.795SS**  trans66.9120.9177.6-140.40000115.9
640A24.2Very low24.8Very low84 Ų84133.3 Ų133.369%0.69479%0.788SS**  cis72147.12500000113.6
641V24Very low25.1Very low113 Ų113132.2 Ų132.269%0.68579%0.789SS**  cis-150.6152.713.2-176.40000109.3
642I25.5Very low25Very low171 Ų171135.3 Ų135.388%0.87780%0.796SS**  trans-146.1136.5133.6-67.3-162.5000109.3
643Q26Very low24.9Very low169 Ų169131.5 Ų131.579%0.7980%0.796SS**  trans-138.8153.3168.6-71.4-179.1-58.100109.8
644S25.4Very low25.1Very low126 Ų126135.6 Ų135.688%0.88180%0.804SS**  trans144.8147.8153.2-73.60000110.7
645A25.8Very low25.1Very low93 Ų93135.5 Ų135.577%0.76981%0.807SS**  cis-154.7157.8-15.100000107.1
646A24.1Very low25.1Very low92 Ų92140.8 Ų140.876%0.7681%0.814SS**  163.715990.800000107.6
647C24.5Very low24.8Very low117 Ų117144 Ų14479%0.79182%0.815SS**  cis-157.8150.7-12-109.40000108.8
648Q24.8Very low24.8Very low194 Ų194144.6 Ų144.691%0.90782%0.82SS**  trans-134.3151.6163.1-76.5-171.2-4.900109.5
649L25.6Very low24.8Very low163 Ų163149 Ų14985%0.85382%0.823SS**  trans-104.7158.1177.4-10675.8000112.4
650P28.8Very low24.8Very low109 Ų109147.5 Ų147.571%0.70883%0.826SS**PPolyproline II helixtrans-100.6159.2-156.738.1-37.4000115.9
651P27.6Very low24.7Very low126 Ų126152.8 Ų152.882%0.81884%0.836SS**PPolyproline II helixtrans-73.9153.3164.732.4-34.9000112.3
652R24.9Very low24.7Very low241 Ų241155.9 Ų155.991%0.90985%0.848SS**PPolyproline II helixtrans-76.4129.2175.1-73.3175.8168.9169-3111.8
653A23.9Very low24.6Very low100 Ų100151.7 Ų151.783%0.82684%0.839SS**PPolyproline II helixtrans-100128.9162.300000110.7
654H25.3Very low24.6Very low188 Ų188152.2 Ų152.287%0.8784%0.841SS**PPolyproline II helixtrans-83.5125.8173.7-87.5-65.7000111.6
655Q23.7Very low24.5Very low191 Ų191154.8 Ų154.889%0.89384%0.839SS**PPolyproline II helixtrans-66.5132.7164-71.5-178.9-14.600111.1
656R22.8Very low24.4Very low233 Ų233156.7 Ų156.788%0.87984%0.842SS**  trans-142.5115.3142.3-79.8-160.1170.7157.70.7111.9
657F23.5Very low25.1Very low196 Ų196157.8 Ų157.886%0.8684%0.841SS**  trans39.2108.5150.2-71.5-86.2000119.7
658A22.3Very low25.9Very low101 Ų101157.3 Ų157.384%0.83584%0.836SS**  trans-70.5147.5146.200000110.8
659K23.4Very low25.9Very low211 Ų211153.6 Ų153.692%0.91783%0.832SS**  trans-135.7140.7157.6-115.7-176.1177.7-176.40108
660G24.2Very low26Very low79 Ų79150.2 Ų150.281%0.81483%0.827SS**  trans-81.1-175.7-163.300000116.1
661E22.9Very low25.8Very low195 Ų195156.4 Ų156.491%0.91184%0.836SS**  trans-60.5148.8-178.4-57.9162.692.600113.8
662L24.7Very low25.7Very low178 Ų178162 Ų16293%0.93284%0.841SS**  trans-151.5125.8138.7-160.670.5000109.7
663A23Very low26.5Very low83 Ų83156.4 Ų156.469%0.68684%0.836SS**  trans-105140.1174.800000110.6
664Q24.6Very low26.5Very low181 Ų181155.2 Ų155.285%0.84683%0.834SS**  trans170163140.9-94.21683100112.2
665Q23.9Very low26.7Very low179 Ų179153.9 Ų153.984%0.83683%0.833SS**  trans79.787.3164.4-41.8-158.310.600119.1
666T23.6Very low27.5Very low134 Ų134150.6 Ų150.682%0.82283%0.828SS**  trans-64.3177.314326.50000111.6
667P39.2Very low29.3Very low115 Ų115145.6 Ų145.675%0.74783%0.826SS**  cis-134.3-144.812.631.4-4.3000112.9
668P41.7Very low29.5Very low107 Ų107141.1 Ų141.170%0.69583%0.825SS**  -128.8-171.3-77.740.4-24.8000115.1
669S25.5Very low29.8Very low116 Ų116145.9 Ų145.981%0.81183%0.83SS**  trans79.1146.7156.8-640000118.9
670A26.7Very low29.9Very low91 Ų91139 Ų13975%0.75282%0.819SS**  cis-160.1158.4-1700000113.2
671R24.7Very low30.2Very low239 Ų239140.6 Ų140.690%0.90282%0.817SS**  trans1131.3163.1-57.9177.6179.3-173-1.5121.3
672R26.3Very low30.4Very low243 Ų243138.2 Ų138.292%0.91781%0.811SS**  10.6158.7127.3-70.5-171.5-177-169.21.5119.9
673P40.8Very low30.5Very low124 Ų124134.2 Ų134.281%0.80580%0.798SS**  cis-136.9-1793.440-22.2000116.1
674G24.1Very low30.9Very low75 Ų75137.6 Ų137.677%0.77380%0.804SS**  trans118.6122.7139.700000119.1
675D28.3Very low31.2Very low160 Ų160135.9 Ų135.986%0.85680%0.8SS**  trans-67.4166.1152-59.9-67.5000110.2
676P41.2Very low31.2Very low123 Ų123132.6 Ų132.680%0.79980%0.795SS**  cis-142.9-157.935.448.2-26.3000113.6
677P61Low31.5Very low127 Ų127131.7 Ų131.783%0.82579%0.785SS**  trans-109.4176.5-155.541.9-35.9000116.4
678A27.3Very low31Very low102 Ų102133.8 Ų133.884%0.84378%0.782SS**  trans-154.3152.6163.400000112.8
679E28.9Very low30.3Very low202 Ų202133.6 Ų133.694%0.94478%0.783SS**  trans-97.5173.6169.2-55.4178.7123.100111.1
680G26.2Very low30.3Very low66 Ų66135.1 Ų135.168%0.6878%0.781SS**  trans115.992.914400000119.9
681S28.8Very low30.3Very low112 Ų112137.1 Ų137.178%0.78378%0.784SS**  69.1138127.9-50.60000124.3
682D27.2Very low30.3Very low145 Ų145129.9 Ų129.978%0.77578%0.775SS**  trans73.699.3138.8-67.4-19.6000124.4
683S27.5Very low31.4Very low94 Ų94124.5 Ų124.566%0.65777%0.771SS**  101.6122.2106.678.90000121.8
684L30.8Very low30.6Very low155 Ų155122.1 Ų122.181%0.81277%0.769SS**  trans65.5148.6143-54.4167.4000118.5
685L32.2Very low30.5Very low145 Ų145130.8 Ų130.876%0.75978%0.778SS**  cis-162-174.7-1.1-124.7170.3000111.3
686C23.8Very low30.2Very low109 Ų109126.5 Ų126.574%0.73677%0.772SS**  trans80137169-74.80000118.8
687D29.4Very low29.4Very low116 Ų116126 Ų12662%0.6277%0.771SS**  cis-163.8161.1-15.1-151.60.3000114.9
688K28.6Very low27.6Very low158 Ų158132.2 Ų132.269%0.68778%0.778SS**  trans64.1118.4153.7-81.3174.4-176.674.90124.4
689C26.5Very low27.4Very low103 Ų103131 Ų13170%0.69678%0.776SS**  80.2146.6128.5-64.30000121.4
690L26.9Very low27.3Very low148 Ų148124.9 Ų124.978%0.77577%0.767SS**  cis-167.8158.8-13.4-114.3174.7000112.7
691V25.1Very low27.1Very low134 Ų134131.3 Ų131.381%0.81278%0.779SS**  trans71.7152.6158.9176.80000119.1
692A24.6Very low27Very low86 Ų86129.2 Ų129.271%0.71178%0.775SS**  trans-121.7-123.6-175.500000114.3
693P50.3Low26.9Very low131 Ų131127.2 Ų127.285%0.85178%0.779SS**  -126.9163.2-105.335.9-20.4000118
694G23.1Very low26.7Very low73 Ų73127.3 Ų127.375%0.75378%0.78SS**  125.1171.3126.500000121.3
695R22.8Very low26.5Very low257 Ų257125.5 Ų125.597%0.9778%0.775SS**  trans65.5115.4153.2-71.8-179.9167.2-101.5-1.1122.4
696G22.2Very low26Very low70 Ų70127.9 Ų127.972%0.72278%0.78SS**  trans85.4174.6132.900000117.8
697S23.5Very low26Very low112 Ų112127.2 Ų127.278%0.78378%0.777SS**  cis177.5143.7-22.1-99.60000108.7
698R24Very low25.8Very low258 Ų258131.9 Ų131.997%0.97479%0.785SS**  trans69.9154175.6-53169171.2-168.5-5.1115.2
699G23.3Very low25.5Very low77 Ų77131.1 Ų131.179%0.79478%0.784SS**  cis153158.5-13.100000115.2
700G25.5Very low25.5Very low73 Ų73133 Ų13375%0.75379%0.787SS**  trans85.5166176.100000114.8
701Q24Very low25.4Very low201 Ų201130.7 Ų130.794%0.93978%0.783SS**  cis-175.3158.1-24-122.2173.228.700107.8
702G25.6Very low25.4Very low68 Ų68133.6 Ų133.670%0.70179%0.787SS**  trans92.1132.9-178.800000112.8
703A25.3Very low25.5Very low103 Ų103136.4 Ų136.485%0.85179%0.79SS**  cis69.1133.231.100000113.2
704S24.2Very low24.3Very low97 Ų97142 Ų14268%0.67879%0.794SS**  cis-166.2-178.7-7.653.20000110.1
705T25.5Very low24.5Very low116 Ų116146.6 Ų146.671%0.71279%0.794SS**  trans57.2109.3151.943.20000118.5
706F22.1Very low24.8Very low195 Ų195141.3 Ų141.386%0.85578%0.78SS**  94.815075.8-118.6-88.6000114.5
707S24.5Very low25.1Very low96 Ų96146.6 Ų146.667%0.67179%0.786SS**  trans74.4100.1161.5-71.70000121.6
708R23.9Very low25.1Very low214 Ų214146 Ų14681%0.80879%0.788SS**  70.8116.5108-110.3-179.9160.6168.7-6.3121.3
709Q23.5Very low25.2Very low142 Ų142136.9 Ų136.966%0.66477%0.774SS**  99.3153.8116.3-119.6168.8-21.100122.2
710L25Very low25.2Very low143 Ų143142.7 Ų142.775%0.74978%0.781SS**  trans80.979.2159.9-63.9165.7000120.4
711S25.2Very low25.2Very low99 Ų99142.8 Ų142.869%0.69277%0.774SS**  21.7138.4119590000121.6
712H25.4Very low25.3Very low194 Ų194143.2 Ų143.290%0.89877%0.767SS**  trans-153.4141.3142.9-123-75.5000113.6
713D26.1Very low25.4Very low145 Ų145146.4 Ų146.478%0.77576%0.764SS**  trans-70.3153.1176.4-90.5-83.7000115.2
714R26.1Very low25.5Very low249 Ų249150.5 Ų150.594%0.9476%0.757SS**  -159.6168.5129.9-118.7177.6175.7-155.5-4.6114.9
715K26.5Very low25.7Very low170 Ų170151.3 Ų151.374%0.73975%0.75SS**  trans-145.1141.7-147.5-155.6-168.7-175.2-171.20113
716Q29.1Very low25.8Very low146 Ų146151.4 Ų151.468%0.68275%0.747SS**  trans73.3157.5143.3-101.7172.5-2800124
717Q27.7Very low26.1Very low181 Ų181147.9 Ų147.985%0.84674%0.736SS**  trans77.5148.5158.6-71.8174.2-10.700119.6
718A25.4Very low26.5Very low99 Ų99149.4 Ų149.482%0.81874%0.736SS**  cis-170.9174.2-16.700000112.3
719G25.1Very low26.7Very low67 Ų67145.5 Ų145.569%0.69173%0.732SS**  trans113115.7169.500000113.5
720E23.7Very low26.9Very low199 Ų199144.6 Ų144.693%0.9373%0.732SS**  76.4136.764.5-72.6-161.2123.200115
721A26.2Very low27Very low75 Ų75144.6 Ų144.662%0.6273%0.732SS**  cis-169.3162.8-15.400000113.2
722R25.8Very low27.3Very low209 Ų209150.5 Ų150.579%0.78974%0.739SS**  trans73.3131.1145-80.9171.2177.7-136.96.2124.2
723Q27.5Very low27.5Very low136 Ų136148.5 Ų148.564%0.63673%0.734SS**  trans74.4154.1131.8-73.8174.3-42.600118.5
724R26.9Very low27.4Very low189 Ų189147.6 Ų147.671%0.71373%0.729SS**  cis-164.7168.56.8-120.2-172.2165.8-148.9-19.7108.2
725E28.2Very low27.5Very low113 Ų113141.7 Ų141.753%0.52872%0.716SS.*  cis-170.3176.9-19.2-133.3165.7-126.800109
726N27.3Very low27.4Very low119 Ų119142.7 Ų142.764%0.63672%0.72SS**  trans68158.5158.7-72.938.2000118.7
727D28.4Very low27.3Very low120 Ų120143.6 Ų143.664%0.64273%0.725SS**  cis-166.8171.2-6-97-12.2000107.3
728L33.8Very low27.6Very low128 Ų128140.9 Ų140.967%0.6772%0.722SS**  cis-163.2178.7-8.8-112.6168.7000109.9
729D28Very low27.8Very low132 Ų132142.6 Ų142.671%0.70671%0.711SS**  trans40.3133.6159.8-55.5-38.2000122.2
730N26.6Very low28Very low124 Ų124147 Ų14766%0.66371%0.714SS**  cis80.210824.7-172.281.9000117.8
731D27.6Very low28.2Very low142 Ų142142.9 Ų142.976%0.75970%0.698SS**  -163.5172.6117.7-124.4-26.2000115.9
732R31.2Very low28.4Very low223 Ų223145.7 Ų145.784%0.84270%0.701SS**  trans-117.8-162.6-175.6-80177.3157.4-173.2-5113
733I29.9Very low28.4Very low153 Ų153146.7 Ų146.779%0.78571%0.705SS**  trans103.3127.4163.9-60.5166000113.4
734D25.5Very low28.3Very low125 Ų125151.5 Ų151.567%0.66872%0.718SS**  cis-150.2168.22.2-142.515.1000116.6
735N26.7Very low28.2Very low125 Ų125148 Ų14867%0.66872%0.721SS**  trans7.7155.8147.2-72.6-49.4000121.8
736K24.4Very low28.2Very low192 Ų192147.5 Ų147.584%0.83573%0.73SS**  cis-165.8160.229.8-147.4167.7-177.7173.30114.5
737E27.7Very low28.2Very low165 Ų165147.5 Ų147.577%0.77174%0.739SS**  trans-79.3169.6167.5-58.3-178.6122.600114.3
738P34.7Very low28.1Very low123 Ų123151.2 Ų151.280%0.79975%0.75SS**  -125.4148.5101.939.7-35000112.5
739K28.4Very low27.8Very low136 Ų136152.5 Ų152.559%0.59175%0.752SS**  cis65.9134.447.2-127.1-164.2168.6-85.50111.4D741K739-D741 IonicContact NZ-OD2 3.63Å; K739-D741 PolarHBondContact NZ-OD2 3.39Å
740E29.4Very low27.7Very low158 Ų158154.1 Ų154.174%0.73875%0.753SS**  cis-160.6170.339.8-76.8-162.3152.400109.3
741D29Very low27.7Very low113 Ų113153.5 Ų153.560%0.60476%0.758SS**  cis-167.6-172.4-21.6-117.1-54.7000110.4K739K739-D741 IonicContact NZ-OD2 3.63Å; K739-D741 PolarHBondContact NZ-OD2 3.39Å
742I28.7Very low29.1Very low134 Ų134152 Ų15269%0.68776%0.757SS**  trans103.2118.6155.4-55.5177.4000115.8
743R26.1Very low28.9Very low230 Ų230148.9 Ų148.987%0.86876%0.756SS**  cis-154.5168.8-10.1-115.5175.4-147.9175.78110.6
744R27.2Very low28.8Very low238 Ų238146.6 Ų146.690%0.89875%0.753SS**  trans-107.3138.2-173-68.9-179.7-178.8148.20.6115.4
745C23.8Very low29Very low116 Ų116145.6 Ų145.678%0.78476%0.756SS**  41.4139.6119.9-148.90000123.3
746S27.4Very low29Very low102 Ų102146 Ų14671%0.71376%0.763SS**  trans77.8125.3146.172.20000122.1
747S27Very low29.3Very low119 Ų119142.6 Ų142.683%0.83276%0.764SS**  174.1173.8106.950.20000112.8
748F26.5Very low29.3Very low198 Ų198138.4 Ų138.487%0.86876%0.764SS**  trans-93.8143.8-168.2-65.9-112.1000114.2
749Q28Very low29.3Very low154 Ų154137.2 Ų137.272%0.7276%0.759SS**  167.2136.7108.7-91-17463.300115.7
750K25.7Very low29.4Very low167 Ų167137.9 Ų137.973%0.72677%0.769SS**  trans56.2109.9143.3-64.3171.6-179.8154.30122.4
751S27.3Very low29.5Very low110 Ų110135.8 Ų135.877%0.76977%0.77SS**  61.3159.8115.8-48.90000121.9
752P56Low29.4Very low112 Ų112137.6 Ų137.673%0.72778%0.78SS**  cis-137.6-175.5-47.136.4-17.6000114.1
753L27Very low29.5Very low156 Ų156135.8 Ų135.882%0.81778%0.779SS**  trans107.3120.7157.2-59.6177.9000121.1
754S27.6Very low29.6Very low105 Ų105130.9 Ų130.973%0.73478%0.775SS**  trans77.6138.8135.568.60000123.2
755S29.8Very low29.6Very low104 Ų104124.8 Ų124.873%0.72777%0.769SS**  trans108.279.8145.4-51.80000120.3
756V27.2Very low29.7Very low133 Ų133125.6 Ų125.681%0.80677%0.769SS**  55.8125.2119.3177.50000121.1
757S31.1Very low29.7Very low122 Ų122126.5 Ų126.585%0.85377%0.771SS**  trans63.6143.1163.7-59.40000117.6
758G28.6Very low29.7Very low76 Ų76127.3 Ų127.378%0.78477%0.771SS**  cis165.4156-1.500000107.7
759S33.9Very low29.7Very low98 Ų98123.3 Ų123.369%0.68577%0.766SS**  cis-153.2145.19.150.10000110.1
760D30.8Very low29.9Very low150 Ų150121.6 Ų121.680%0.80277%0.771SS**  trans43.3149.2138.9-38.6-26000121.6
761C30Very low29.8Very low114 Ų114122 Ų12277%0.7778%0.781SS**  cis-176.4164.2-24.264.70000106.3
762D27.9Very low29.8Very low152 Ų152122.3 Ų122.381%0.81378%0.783SS**  cis-148.1171-20.6-143.1-43.1000108.3
763S29.8Very low28.5Very low96 Ų96123.3 Ų123.367%0.67179%0.792SS**  trans-152109.5-175.165.10000116.6
764V28.1Very low28.6Very low127 Ų127120.5 Ų120.577%0.7779%0.786SS**  trans-144.7118.8165.5-174.80000107.2
765S28Very low28.9Very low110 Ų110120.5 Ų120.577%0.76979%0.792SS**  cis75.57334.5-51.70000115.2
766V25.9Very low28.8Very low132 Ų132126 Ų12680%0.880%0.799SS**  trans-114.6125.7164.3-177.50000109.7
767T28.5Very low28.8Very low122 Ų122125.2 Ų125.275%0.74879%0.794SS**  trans-89.9122.9-178.2-51.40000111.4
768T26.8Very low28.9Very low135 Ų135125.5 Ų125.583%0.82879%0.793SS**  trans-130.2150.6156.153.30000109.9
769C25.8Very low28.8Very low114 Ų114127.3 Ų127.377%0.7779%0.794SS**  trans-114.7150.5-172.3-57.90000111.2
770S31.5Very low29.6Very low118 Ų118127.5 Ų127.583%0.82579%0.793SS**  trans-61.1138.4-177.4-42.10000113.2
771L25.1Very low29.7Very low176 Ų176126.8 Ų126.892%0.92179%0.793SS**  trans-135.1132.6154.7-76.9-179.9000110.2
772S27.5Very low29.7Very low117 Ų117126.6 Ų126.682%0.81879%0.794SS**  trans-78132.6175.5-48.60000110.4S774S772-S774 PolarHBondContact O-N 3.01Å
773S28.4Very low30.1Very low132 Ų132124.4 Ų124.492%0.92379%0.79SS**  trans-78.5114.5170.7-162.60000109.6
774S29Very low30.2Very low98 Ų98127.9 Ų127.969%0.68580%0.8SS**  trans-98.4141-178.650.10000111.1S772 Y776S772-S774 PolarHBondContact O-N 3.01Å; S774-Y776 PolarHBondContact O-N 3.5Å
775A33.3Very low30.8Very low105 Ų105128 Ų12887%0.86880%0.802SS**  trans-62.9133.317600000110.7
776Y27.4Very low32.1Very low220 Ų220128.6 Ų128.686%0.86380%0.802SS**  trans-104.8122.4178.8-144.3-85.3000111S774S774-Y776 PolarHBondContact O-N 3.5Å
777T27.2Very low32.7Very low115 Ų115127.9 Ų127.971%0.70680%0.804SS**  trans-87.8140.417547.60000110.8S779T777-S779 PolarHBondContact O-N 3.42Å
778P34.2Very low33.4Very low128 Ų128128.4 Ų128.483%0.83181%0.812SS**  trans-74.8114.8176.429-32.8000110.9
779S25.8Very low34.1Very low114 Ų114125.1 Ų125.180%0.79781%0.805SS**  trans-84.1136.8170.8-170.50000110.8T777T777-S779 PolarHBondContact O-N 3.42Å
780P49.6Very low35.1Very low103 Ų103126.2 Ų126.267%0.66981%0.808SS**  trans-91.8156.4-171.236.3-37000114.8
781V33.9Very low36.1Very low134 Ų134123.8 Ų123.881%0.81279%0.791SS**  trans52.9116159.8-66.60000120
782S30.4Very low37.2Very low111 Ų111123.3 Ų123.378%0.77678%0.784SS**  -166.9129.1100.5-79.30000113.7
783S35Very low38.4Very low106 Ų106124.6 Ų124.674%0.74178%0.782SS**  trans20135.9143.8-48.30000119.8
784L32.4Very low39.7Very low168 Ų168123.7 Ų123.788%0.8877%0.766SS**  cis-149.9165.946.7-77.5163.6000113.7
785T41.5Very low41.8Very low131 Ų131122.9 Ų122.980%0.80475%0.754SS**  trans-116176.2177.156.50000111.1
786P55.1Low43.6Very low121 Ų121123.2 Ų123.279%0.78674%0.738SS**  -132.1157.9-5035.9-22.1000112.8
787S38.6Very low46Very low118 Ų118117 Ų11783%0.82572%0.716SS**  trans-151.297.3167.663.50000115.1
788S43.8Very low48.7Very low133 Ų133118 Ų11893%0.9371%0.713SS**  trans39.284.7146.11780000118.5
789G40.5Very low50.9Low65 Ų65116.9 Ų116.967%0.6770%0.699SS**  trans-156.3102.8161.900000111.7S791G789-S791 PolarHBondContact O-N 3.34Å
790T46.8Very low53.5Low137 Ų137117.6 Ų117.684%0.8469%0.685SS**  trans-84.853.9-173.656.30000112.4L794T790-L794 WeakPolarHBondContact O-CD1 3.26Å
791S52.4Low55.2Low67 Ų67116.4 Ų116.447%0.46967%0.672SS.*  trans-116.6-54.6-172.9-152.30000113.6G789 D793 L794 D795G789-S791 PolarHBondContact O-N 3.34Å; S791-D793 VanDerWaalsContact C-N 3.29Å; S791-D793 PolarHBondContact O-N 3.37Å; S791-D793 VanDerWaalsContact O-N 3.15Å; S791-L794 WeakPolarHBondContact O-CA 3.43Å; S791-L794 VanDerWaalsContact O-CB 3.31Å; S791-L794 WeakPolarHBondContact O-CB 3.36Å; S791-L794 PolarHBondContact O-N 3.42Å; S791-D795 PolarHBondContact O-N 2.65Å
792E47.5Very low57.6Low167 Ų167112.9 Ų112.978%0.7866%0.657SS**Hα-helixtrans-66.7-25.5-164.6-59178.8138.700114.1Q796E792-Q796 PolarHBondContact O-N 2.98Å
793D54Low60Low143 Ų143112.2 Ų112.277%0.76564%0.644SS**Hα-helixtrans-71.5-27.6171-89.7-38.3000112.9S791 Q797S791-D793 VanDerWaalsContact C-N 3.29Å; S791-D793 PolarHBondContact O-N 3.37Å; S791-D793 VanDerWaalsContact O-N 3.15Å; D793-Q797 VanDerWaalsContact O-CB 3.26Å; D793-Q797 WeakPolarHBondContact O-CB 3.46Å; D793-Q797 PolarHBondContact O-N 2.78Å
794L55.4Low62.2Low114 Ų114112.8 Ų112.860%0.59764%0.635SS**Hα-helixtrans-72.2-50.4176.1-67.2171.9000109.9T790 S791 Q796 Q797 E798T790-L794 WeakPolarHBondContact O-CD1 3.26Å; S791-L794 WeakPolarHBondContact O-CA 3.43Å; S791-L794 VanDerWaalsContact O-CB 3.31Å; S791-L794 WeakPolarHBondContact O-CB 3.36Å; S791-L794 PolarHBondContact O-N 3.42Å; L794-Q796 VanDerWaalsContact C-N 3.28Å; L794-Q796 PolarHBondContact O-N 3.38Å; L794-Q797 CarbonylContact O-C 3.57Å; L794-Q797 PolarHBondContact O-N 3.49Å; L794-E798 WeakPolarHBondContact O-CB 3.08Å; L794-E798 PolarHBondContact O-N 3.25Å
795D72.4Confident64.6Low80 Ų80109.7 Ų109.743%0.42862%0.62SS.*Hα-helixtrans-55.8-44.6-179.4-53.6-46.8000111S791 Q797 E798 I799S791-D795 PolarHBondContact O-N 2.65Å; D795-Q797 PolarHBondContact O-N 3.22Å; D795-E798 PolarHBondContact O-N 3.38Å; D795-I799 WeakPolarHBondContact O-CD1 3.37Å; D795-I799 VanDerWaalsContact O-CG1 3.25Å; D795-I799 WeakPolarHBondContact O-CG1 3.36Å; D795-I799 PolarHBondContact O-N 2.9Å
796Q71.5Confident66.4Low112 Ų112106.4 Ų106.452%0.52360%0.602SS.*Hα-helixtrans-75.5-22.4179.9-161.8169.6106.900113.6E792 L794 R800E792-Q796 PolarHBondContact O-N 2.98Å; L794-Q796 VanDerWaalsContact C-N 3.28Å; L794-Q796 PolarHBondContact O-N 3.38Å; Q796-R800 WeakPolarHBondContact O-CD 3.48Å; Q796-R800 VanDerWaalsContact O-CG 3.27Å; Q796-R800 WeakPolarHBondContact O-CG 3.49Å; Q796-R800 PolarHBondContact O-N 3.49Å
797Q79.1Confident67.5Low89 Ų89108.5 Ų108.542%0.41659%0.594SS.*Hα-helixtrans-80-36.8170.8-175.561.51700111.8D793 L794 D795 R800 L801D793-Q797 VanDerWaalsContact O-CB 3.26Å; D793-Q797 WeakPolarHBondContact O-CB 3.46Å; D793-Q797 PolarHBondContact O-N 2.78Å; L794-Q797 CarbonylContact O-C 3.57Å; L794-Q797 PolarHBondContact O-N 3.49Å; D795-Q797 PolarHBondContact O-N 3.22Å; Q797-R800 WeakPolarHBondContact O-CB 3.38Å; Q797-R800 PolarHBondContact O-N 3.02Å; Q797-L801 HydrophobicContact CG-CD1 4.36Å; Q797-L801 WeakPolarHBondContact O-CG 3.31Å; Q797-L801 PolarHBondContact O-N 2.98Å
798E82.1Confident69.4Low136 Ų136106.8 Ų106.864%0.63658%0.578SS**Hα-helixtrans-66.6-41.6176.1-172.3164.2-16200111.3L794 D795 R800 L801 A802L794-E798 WeakPolarHBondContact O-CB 3.08Å; L794-E798 PolarHBondContact O-N 3.25Å; D795-E798 PolarHBondContact O-N 3.38Å; E798-R800 VanDerWaalsContact C-N 3.31Å; E798-R800 PolarHBondContact O-N 2.86Å; E798-L801 PolarHBondContact O-N 3.19Å; E798-A802 PolarHBondContact O-N 3.45Å
799I81.3Confident71.2Confident106 Ų106103.3 Ų103.354%0.54456%0.558SS.*Hα-helixtrans-58.9-41.3170.3-69.8164.2000111.4D795 L803D795-I799 WeakPolarHBondContact O-CD1 3.37Å; D795-I799 VanDerWaalsContact O-CG1 3.25Å; D795-I799 WeakPolarHBondContact O-CG1 3.36Å; D795-I799 PolarHBondContact O-N 2.9Å; I799-L803 HydrophobicContact CG2-CD1 3.94Å; I799-L803 WeakPolarHBondContact O-CB 3.27Å; I799-L803 VanDerWaalsContact O-CG 3.25Å; I799-L803 WeakPolarHBondContact O-CG 3.32Å; I799-L803 PolarHBondContact O-N 3.48Å
800R80.2Confident73.1Confident129 Ų129102.6 Ų102.649%0.48755%0.546SS..Hα-helixtrans-66-39175.8-72.5170-166.8151.15.4112.3Q796 Q797 E798 L803 Q804Q796-R800 WeakPolarHBondContact O-CD 3.48Å; Q796-R800 VanDerWaalsContact O-CG 3.27Å; Q796-R800 WeakPolarHBondContact O-CG 3.49Å; Q796-R800 PolarHBondContact O-N 3.49Å; Q797-R800 WeakPolarHBondContact O-CB 3.38Å; Q797-R800 PolarHBondContact O-N 3.02Å; E798-R800 VanDerWaalsContact C-N 3.31Å; E798-R800 PolarHBondContact O-N 2.86Å; R800-L803 PolarHBondContact O-N 3.38Å; R800-Q804 WeakPolarHBondContact O-CB 3.48Å; R800-Q804 PolarHBondContact O-N 2.71Å
801L86.1Confident74.7Confident78 Ų78100.6 Ų100.641%0.40852%0.523SS..Hα-helixtrans-65.6-47176.2-71.8166.8000111.1Q797 E798 L803 Q804 D805Q797-L801 HydrophobicContact CG-CD1 4.36Å; Q797-L801 WeakPolarHBondContact O-CG 3.31Å; Q797-L801 PolarHBondContact O-N 2.98Å; E798-L801 PolarHBondContact O-N 3.19Å; L801-L803 VanDerWaalsContact C-N 3.31Å; L801-L803 PolarHBondContact O-N 3.42Å; L801-Q804 CarbonylContact O-C 3.57Å; L801-Q804 WeakPolarHBondContact O-CA 3.36Å; L801-Q804 WeakPolarHBondContact O-CB 3.33Å; L801-Q804 PolarHBondContact O-N 3Å; L801-D805 PolarHBondContact O-N 3.25Å
802A83.2Confident76.1Confident59 Ų59101 Ų10149%0.48853%0.525SS..Hα-helixtrans-60.6-37.3174.800000113E798 Q804 S806E798-A802 PolarHBondContact O-N 3.45Å; A802-Q804 VanDerWaalsContact C-N 3.31Å; A802-S806 WeakPolarHBondContact O-CB 3.3Å; A802-S806 PolarHBondContact O-N 2.86Å; A802-S806 PolarHBondContact O-OG 3.21Å
803L81.6Confident77.8Confident97 Ų97100.7 Ų100.751%0.50852%0.522SS..Hα-helixtrans-71.5-22.3172.6-72.2171.7000113.4I799 R800 L801 S806 R807I799-L803 HydrophobicContact CG2-CD1 3.94Å; I799-L803 WeakPolarHBondContact O-CB 3.27Å; I799-L803 VanDerWaalsContact O-CG 3.25Å; I799-L803 WeakPolarHBondContact O-CG 3.32Å; I799-L803 PolarHBondContact O-N 3.48Å; R800-L803 PolarHBondContact O-N 3.38Å; L801-L803 VanDerWaalsContact C-N 3.31Å; L801-L803 PolarHBondContact O-N 3.42Å; L803-S806 WeakPolarHBondContact CA-OG 3.36Å; L803-S806 PolarHBondContact O-OG 3.42Å; L803-R807 WeakPolarHBondContact O-CD 3.39Å; L803-R807 WeakPolarHBondContact O-CG 3.43Å
804Q80.6Confident79Confident118 Ų11895.7 Ų95.755%0.55149%0.494SS*.Hα-helixtrans-81.9-45.5173.3-179.3170.4-22.100110.9R800 L801 A802 R807 V808R800-Q804 WeakPolarHBondContact O-CB 3.48Å; R800-Q804 PolarHBondContact O-N 2.71Å; L801-Q804 CarbonylContact O-C 3.57Å; L801-Q804 WeakPolarHBondContact O-CA 3.36Å; L801-Q804 WeakPolarHBondContact O-CB 3.33Å; L801-Q804 PolarHBondContact O-N 3Å; A802-Q804 VanDerWaalsContact C-N 3.31Å; Q804-R807 WeakPolarHBondContact O-CB 3.35Å; Q804-R807 PolarHBondContact O-N 2.88Å; Q804-V808 WeakPolarHBondContact O-CG2 3.37Å; Q804-V808 PolarHBondContact O-N 2.91Å
805D82.9Confident80.3Confident104 Ų10494.1 Ų94.156%0.55648%0.48SS*.Hα-helixtrans-65.7-40.1180-69.2-20.5000111.9L801 R807 V808 A809L801-D805 PolarHBondContact O-N 3.25Å; D805-R807 VanDerWaalsContact C-N 3.35Å; D805-R807 PolarHBondContact O-N 2.97Å; D805-V808 PolarHBondContact O-N 3.44Å; D805-A809 WeakPolarHBondContact O-CB 3.47Å; D805-A809 PolarHBondContact O-N 3.35Å
806S79.2Confident80.8Confident62 Ų6294.8 Ų94.843%0.43449%0.491SS..Hα-helixtrans-62.5-38.417252.10000112.7A802 L803 A809 A810A802-S806 WeakPolarHBondContact O-CB 3.3Å; A802-S806 PolarHBondContact O-N 2.86Å; A802-S806 PolarHBondContact O-OG 3.21Å; L803-S806 WeakPolarHBondContact CA-OG 3.36Å; L803-S806 PolarHBondContact O-OG 3.42Å; S806-A809 PolarHBondContact O-N 2.86Å; S806-A810 WeakPolarHBondContact O-CB 3.25Å; S806-A810 PolarHBondContact O-N 3.33Å
807R77.8Confident81.5Confident165 Ų16597.2 Ų97.262%0.62350%0.496SS*.Hα-helixtrans-66.2-38.3172.1-73171.1-178.7-167.8-2.6112.4L803 Q804 D805 R811L803-R807 WeakPolarHBondContact O-CD 3.39Å; L803-R807 WeakPolarHBondContact O-CG 3.43Å; Q804-R807 WeakPolarHBondContact O-CB 3.35Å; Q804-R807 PolarHBondContact O-N 2.88Å; D805-R807 VanDerWaalsContact C-N 3.35Å; D805-R807 PolarHBondContact O-N 2.97Å; R807-R811 WeakPolarHBondContact O-CB 3.34Å; R807-R811 WeakPolarHBondContact O-CD 3.45Å; R807-R811 VanDerWaalsContact O-CG 3.23Å; R807-R811 WeakPolarHBondContact O-CG 3.17Å; R807-R811 PolarHBondContact O-N 2.94Å
808V79.6Confident81.9Confident81 Ų8195 Ų9549%0.49149%0.485SS..Hα-helixtrans-67.5-42.5175.6170.80000110.8Q804 D805 R811 S812Q804-V808 WeakPolarHBondContact O-CG2 3.37Å; Q804-V808 PolarHBondContact O-N 2.91Å; D805-V808 PolarHBondContact O-N 3.44Å; V808-R811 PolarHBondContact O-N 3.21Å; V808-S812 WeakPolarHBondContact O-CB 3.45Å; V808-S812 PolarHBondContact O-N 3.41Å
809A81.1Confident82Confident61 Ų6197 Ų9750%0.50449%0.494SS..Hα-helixtrans-62.6-44.117500000111.9D805 S806 S812 K813D805-A809 WeakPolarHBondContact O-CB 3.47Å; D805-A809 PolarHBondContact O-N 3.35Å; S806-A809 PolarHBondContact O-N 2.86Å; A809-S812 WeakPolarHBondContact O-CB 3.36Å; A809-S812 PolarHBondContact O-N 3.45Å; A809-K813 WeakPolarHBondContact O-CB 3.44Å; A809-K813 PolarHBondContact O-N 2.92Å
810A79.7Confident82.5Confident50 Ų5094.2 Ų94.241%0.41348%0.484SS..Hα-helixtrans-60.5-46.5174.500000112S806 S812 K813 I814S806-A810 WeakPolarHBondContact O-CB 3.25Å; S806-A810 PolarHBondContact O-N 3.33Å; A810-S812 VanDerWaalsContact C-N 3.31Å; A810-S812 PolarHBondContact O-N 3.49Å; A810-K813 PolarHBondContact O-N 2.79Å; A810-I814 VanDerWaalsContact O-CG1 3.32Å; A810-I814 WeakPolarHBondContact O-CG1 3.46Å; A810-I814 PolarHBondContact O-N 2.85Å
811R81.1Confident82.9Confident94 Ų9490 Ų9036%0.35548%0.475SS..Hα-helixtrans-60.8-38.5175-73.2166.5178.1-175.5-2.3112.2Q272 T273 R807 V808 I814 R815Q272-R811 VanDerWaalsContact O-CD 3.24Å; Q272-R811 WeakPolarHBondContact O-CD 3.38Å; Q272-R811 PolarHBondContact O-NE 3.26Å; T273-R811 HydrophobicContact CG2-CB 4.01Å; T273-R811 HydrophobicContact CG2-CG 4.15Å; R807-R811 WeakPolarHBondContact O-CB 3.34Å; R807-R811 WeakPolarHBondContact O-CD 3.45Å; R807-R811 VanDerWaalsContact O-CG 3.23Å; R807-R811 WeakPolarHBondContact O-CG 3.17Å; R807-R811 PolarHBondContact O-N 2.94Å; V808-R811 PolarHBondContact O-N 3.21Å; R811-I814 PolarHBondContact O-N 3.44Å; R811-R815 VanDerWaalsContact O-CB 3.3Å; R811-R815 WeakPolarHBondContact O-CB 3.43Å; R811-R815 PolarHBondContact O-N 3.06Å
812S80.8Confident83.1Confident75 Ų7590.3 Ų90.352%0.52448%0.483SS..Hα-helixtrans-63.7-46.9174-171.70000112.1V808 A809 A810 I814 R815 S816V808-S812 WeakPolarHBondContact O-CB 3.45Å; V808-S812 PolarHBondContact O-N 3.41Å; A809-S812 WeakPolarHBondContact O-CB 3.36Å; A809-S812 PolarHBondContact O-N 3.45Å; A810-S812 VanDerWaalsContact C-N 3.31Å; A810-S812 PolarHBondContact O-N 3.49Å; S812-I814 VanDerWaalsContact C-N 3.29Å; S812-I814 PolarHBondContact O-N 3.48Å; S812-R815 PolarHBondContact O-N 3.35Å; S812-R815 VanDerWaalsContact O-N 3.14Å; S812-S816 PolarHBondContact O-N 3.29Å; S812-S816 PolarHBondContact O-OG 3.38Å
813K83.6Confident83.4Confident162 Ų16289.1 Ų89.170%0.70447%0.468SS*.Hα-helixtrans-63.5-30.1176-172.2180179.8-175.80113.1A809 A810 S816A809-K813 WeakPolarHBondContact O-CB 3.44Å; A809-K813 PolarHBondContact O-N 2.92Å; A810-K813 PolarHBondContact O-N 2.79Å; K813-S816 PolarHBondContact O-OG 2.91Å
814I80.9Confident83.8Confident38 Ų3884.5 Ų84.520%0.19544%0.444CS..Hα-helixtrans-71.1-49.4170.6-67.3163.9000109.9L270 T273 A810 R811 S812 S816 R817 F818L270-I814 HydrophobicContact CD2-CG2 3.69Å; T273-I814 HydrophobicContact CG2-CB 3.99Å; T273-I814 HydrophobicContact CG2-CG2 3.78Å; A810-I814 VanDerWaalsContact O-CG1 3.32Å; A810-I814 WeakPolarHBondContact O-CG1 3.46Å; A810-I814 PolarHBondContact O-N 2.85Å; R811-I814 PolarHBondContact O-N 3.44Å; S812-I814 VanDerWaalsContact C-N 3.29Å; S812-I814 PolarHBondContact O-N 3.48Å; I814-S816 VanDerWaalsContact C-N 3.34Å; I814-S816 PolarHBondContact O-N 2.96Å; I814-R817 WeakPolarHBondContact O-CB 3.43Å; I814-R817 PolarHBondContact O-N 3.37Å; I814-F818 HydrophobicContact CG2-CE2 4.41Å; I814-F818 WeakPolarHBondContact O-CE2 3.42Å
815R82.4Confident84.4Confident80 Ų8079.6 Ų79.630%0.30242%0.422SS..Hα-helixtrans-64.1-33.5-176.1-171.9174.8175.1110.33.8113.2T273 E278 R811 S812 R817 F818 S821T273-R815 PolarHBondContact O-NH1 3.49Å; E278-R815 IonicContact OE1-CZ 3.61Å; E278-R815 IonicContact OE1-NH1 3.62Å; E278-R815 IonicContact OE1-NH2 2.69Å; E278-R815 PolarHBondContact OE1-NH2 2.92Å; E278-R815 IonicContact OE2-CZ 3.48Å; E278-R815 IonicContact OE2-NH1 2.71Å; E278-R815 PolarHBondContact OE2-NH1 3.48Å; E278-R815 IonicContact OE2-NH2 3.32Å; E278-R815 PolarHBondContact OE2-NH2 2.89Å; R811-R815 VanDerWaalsContact O-CB 3.3Å; R811-R815 WeakPolarHBondContact O-CB 3.43Å; R811-R815 PolarHBondContact O-N 3.06Å; S812-R815 PolarHBondContact O-N 3.35Å; S812-R815 VanDerWaalsContact O-N 3.14Å; R815-R817 PolarHBondContact O-N 3.21Å; R815-R817 VanDerWaalsContact O-N 3.1Å; R815-F818 PolarHBondContact O-N 2.96Å; R815-S821 PolarHBondContact NH2-OG 3.49Å; R815-S821 VanDerWaalsContact NH2-OG 3.15Å
816S83.1Confident84.8Confident94 Ų9480.4 Ų80.466%0.65742%0.422SS*.THydrogen-bonded Turntrans-68.1-2.4176.564.30000114.8S812 K813 I814S812-S816 PolarHBondContact O-N 3.29Å; S812-S816 PolarHBondContact O-OG 3.38Å; K813-S816 PolarHBondContact O-OG 2.91Å; I814-S816 VanDerWaalsContact C-N 3.34Å; I814-S816 PolarHBondContact O-N 2.96Å
817R84.8Confident85.4Confident163 Ų16383.3 Ų83.362%0.61542%0.423SS*.THydrogen-bonded Turntrans-90.2-0.3173.2-61.8-172.7-70.6-168.4-2.8113.8I814 R815I814-R817 WeakPolarHBondContact O-CB 3.43Å; I814-R817 PolarHBondContact O-N 3.37Å; R815-R817 PolarHBondContact O-N 3.21Å; R815-R817 VanDerWaalsContact O-N 3.1Å
818F88.2Confident86.2Confident42 Ų4275.5 Ų75.518%0.18439%0.394CS..SBendtrans-114.5142.5-179.7-61-83.1000110.8L270 I814 R815 S820 L824L270-F818 HydrophobicContact CD1-CZ 4.48Å; L270-F818 HydrophobicContact CD2-CE2 3.56Å; L270-F818 HydrophobicContact CD2-CZ 3.51Å; I814-F818 HydrophobicContact CG2-CE2 4.41Å; I814-F818 WeakPolarHBondContact O-CE2 3.42Å; R815-F818 PolarHBondContact O-N 2.96Å; F818-S820 VanDerWaalsContact C-N 3.32Å; F818-S820 PolarHBondContact O-N 2.96Å; F818-L824 HydrophobicContact CB-CB 4.23Å; F818-L824 HydrophobicContact CD1-CB 4.21Å; F818-L824 HydrophobicContact CD1-CD1 4.15Å; F818-L824 HydrophobicContact CD2-CD1 4.09Å; F818-L824 HydrophobicContact CD2-CD2 4.4Å; F818-L824 HydrophobicContact CE1-CD1 4Å; F818-L824 HydrophobicContact CE2-CD1 3.93Å; F818-L824 HydrophobicContact CG-CB 4.06Å; F818-L824 HydrophobicContact CG-CD1 4.2Å; F818-L824 HydrophobicContact CZ-CD1 3.89Å
819H84.4Confident86.9Confident178 Ų17873.8 Ų73.882%0.82438%0.38SS*.SBendtrans-75.8-23.6-173.8-66.583.8000112.7D823H819-D823 PolarHBondContact N-OD2 2.94Å; H819-D823 VanDerWaalsContact N-OD2 3.17Å; H819-D823 IonicContact ND1-OD2 3.1Å
820S90.6Very high87.5Confident48 Ų4874.7 Ų74.734%0.33638%0.379SS..  trans-159.6167.1175.868.50000111.2F818 S822 D823 L824F818-S820 VanDerWaalsContact C-N 3.32Å; F818-S820 PolarHBondContact O-N 2.96Å; S820-S822 PolarHBondContact O-N 3.24Å; S820-S822 PolarHBondContact OG-N 3.4Å; S820-S822 PolarHBondContact OG-OG 3.09Å; S820-D823 PolarHBondContact O-N 3.26Å; S820-D823 PolarHBondContact OG-N 2.89Å; S820-L824 PolarHBondContact O-N 3.29Å
821S89.6Confident88.2Confident42 Ų4274.6 Ų74.629%0.29438%0.375SS..Hα-helixtrans-58.4-33.9166.5-54.70000112.4E278 R815 L824 I825E278-S821 WeakPolarHBondContact OE1-CB 3.26Å; E278-S821 PolarHBondContact OE1-OG 3Å; R815-S821 PolarHBondContact NH2-OG 3.49Å; R815-S821 VanDerWaalsContact NH2-OG 3.15Å; S821-L824 PolarHBondContact O-N 3.37Å; S821-I825 WeakPolarHBondContact O-CB 3.43Å; S821-I825 WeakPolarHBondContact O-CD1 3.48Å; S821-I825 WeakPolarHBondContact O-CG1 3.28Å; S821-I825 PolarHBondContact O-N 3.29Å
822S89.3Confident88.9Confident84 Ų8470.1 Ų70.159%0.58736%0.358SS*.Hα-helixtrans-71.5-36.1179.249.30000113.2S820 H826S820-S822 PolarHBondContact O-N 3.24Å; S820-S822 PolarHBondContact OG-N 3.4Å; S820-S822 PolarHBondContact OG-OG 3.09Å; S822-H826 WeakPolarHBondContact O-CB 3.21Å; S822-H826 PolarHBondContact O-N 3.27Å
823D89.4Confident89.5Confident33 Ų3366.9 Ų66.918%0.17634%0.335CS..Hα-helixtrans-61.3-46.7171.617542.7000110.6H819 S820 H826 R827H819-D823 PolarHBondContact N-OD2 2.94Å; H819-D823 VanDerWaalsContact N-OD2 3.17Å; H819-D823 IonicContact ND1-OD2 3.1Å; S820-D823 PolarHBondContact O-N 3.26Å; S820-D823 PolarHBondContact OG-N 2.89Å; D823-H826 PolarHBondContact O-N 3.22Å; D823-R827 WeakPolarHBondContact O-CB 3.28Å; D823-R827 VanDerWaalsContact O-CG 3.28Å; D823-R827 WeakPolarHBondContact O-CG 2.97Å; D823-R827 PolarHBondContact O-N 2.85Å; D823-R827 IonicContact OD1-CZ 2.69Å; D823-R827 VanDerWaalsContact OD1-CZ 3.27Å; D823-R827 IonicContact OD1-NE 3.42Å; D823-R827 PolarHBondContact OD1-NE 2.98Å; D823-R827 IonicContact OD1-NH2 2.69Å; D823-R827 PolarHBondContact OD1-NH2 3.2Å; D823-R827 IonicContact OD2-CZ 3.73Å; D823-R827 IonicContact OD2-NE 3.22Å; D823-R827 IonicContact OD2-NH2 3.59Å
824L91.3Very high90Very high1 Ų160.5 Ų60.51%0.00532%0.315CS..Hα-helixtrans-63.7-47.9175.7178.454000112.9L270 L274 F818 S820 S821 H826 R827 L828L270-L824 HydrophobicContact CB-CD1 4.38Å; L270-L824 HydrophobicContact CD2-CD1 4.01Å; L274-L824 HydrophobicContact CD2-CD2 3.66Å; L274-L824 HydrophobicContact CD2-CG 3.95Å; F818-L824 HydrophobicContact CB-CB 4.23Å; F818-L824 HydrophobicContact CD1-CB 4.21Å; F818-L824 HydrophobicContact CD1-CD1 4.15Å; F818-L824 HydrophobicContact CD2-CD1 4.09Å; F818-L824 HydrophobicContact CD2-CD2 4.4Å; F818-L824 HydrophobicContact CE1-CD1 4Å; F818-L824 HydrophobicContact CE2-CD1 3.93Å; F818-L824 HydrophobicContact CG-CB 4.06Å; F818-L824 HydrophobicContact CG-CD1 4.2Å; F818-L824 HydrophobicContact CZ-CD1 3.89Å; S820-L824 PolarHBondContact O-N 3.29Å; S821-L824 PolarHBondContact O-N 3.37Å; L824-H826 VanDerWaalsContact C-N 3.35Å; L824-H826 PolarHBondContact O-N 3.34Å; L824-R827 PolarHBondContact O-N 3.12Å; L824-L828 HydrophobicContact CD1-CD1 3.95Å; L824-L828 HydrophobicContact CD1-CG 4.27Å; L824-L828 HydrophobicContact CG-CD1 4.13Å; L824-L828 WeakPolarHBondContact O-CB 3.34Å; L824-L828 WeakPolarHBondContact O-CG 3.43Å; L824-L828 PolarHBondContact O-N 2.79Å
825I92.8Very high90.7Very high15 Ų1558.7 Ų58.78%0.07731%0.306CS..Hα-helixtrans-61.8-42.1177.6-72.5166.5000110.9L274 E278 T281 L282 S821 L828 F829L274-I825 HydrophobicContact CD2-CG1 4.36Å; E278-I825 HydrophobicContact CB-CD1 4.03Å; E278-I825 HydrophobicContact CG-CD1 4.24Å; T281-I825 HydrophobicContact CG2-CD1 4.41Å; L282-I825 HydrophobicContact CB-CG2 4.15Å; L282-I825 HydrophobicContact CD1-CG2 4.15Å; S821-I825 WeakPolarHBondContact O-CB 3.43Å; S821-I825 WeakPolarHBondContact O-CD1 3.48Å; S821-I825 WeakPolarHBondContact O-CG1 3.28Å; S821-I825 PolarHBondContact O-N 3.29Å; I825-L828 PolarHBondContact O-N 3.35Å; I825-F829 WeakPolarHBondContact O-CB 3.22Å; I825-F829 PolarHBondContact O-N 3.24Å
826H90.8Very high91.2Very high120 Ų12054.9 Ų54.956%0.55629%0.292SS*.Hα-helixtrans-65.7-44.5178.5-176.7-98.2000112S822 D823 L824 L828 F829 V830S822-H826 WeakPolarHBondContact O-CB 3.21Å; S822-H826 PolarHBondContact O-N 3.27Å; D823-H826 PolarHBondContact O-N 3.22Å; L824-H826 VanDerWaalsContact C-N 3.35Å; L824-H826 PolarHBondContact O-N 3.34Å; H826-L828 PolarHBondContact O-N 2.87Å; H826-F829 WeakPolarHBondContact O-CB 3.38Å; H826-F829 PolarHBondContact O-N 2.7Å; H826-V830 WeakPolarHBondContact O-CG2 3.26Å; H826-V830 PolarHBondContact O-N 2.98Å
827R91.8Very high91.7Very high123 Ų12352.5 Ų52.546%0.46427%0.272SS..Hα-helixtrans-61-43.5174.4-71.1172.8-164.4-113.91.5111.9D823 L824 V830 C831D823-R827 WeakPolarHBondContact O-CB 3.28Å; D823-R827 VanDerWaalsContact O-CG 3.28Å; D823-R827 WeakPolarHBondContact O-CG 2.97Å; D823-R827 PolarHBondContact O-N 2.85Å; D823-R827 IonicContact OD1-CZ 2.69Å; D823-R827 VanDerWaalsContact OD1-CZ 3.27Å; D823-R827 IonicContact OD1-NE 3.42Å; D823-R827 PolarHBondContact OD1-NE 2.98Å; D823-R827 IonicContact OD1-NH2 2.69Å; D823-R827 PolarHBondContact OD1-NH2 3.2Å; D823-R827 IonicContact OD2-CZ 3.73Å; D823-R827 IonicContact OD2-NE 3.22Å; D823-R827 IonicContact OD2-NH2 3.59Å; L824-R827 PolarHBondContact O-N 3.12Å; R827-V830 PolarHBondContact O-N 3.36Å; R827-C831 WeakPolarHBondContact O-CB 3.14Å; R827-C831 PolarHBondContact O-N 3.25Å; R827-C831 PolarHBondContact O-SG 2.84Å
828L94.3Very high92.1Very high1 Ų148.9 Ų48.91%0.00526%0.262CS..Hα-helixtrans-61.5-44.7175.1-81.7168000111.9I267 L270 L271 L274 L282 L824 I825 H826 V830 C831 I832I267-L828 HydrophobicContact CG2-CD2 4.16Å; L270-L828 HydrophobicContact CB-CD1 4.41Å; L270-L828 HydrophobicContact CB-CD2 3.87Å; L270-L828 HydrophobicContact CB-CG 4.4Å; L270-L828 HydrophobicContact CD1-CD2 4.38Å; L271-L828 HydrophobicContact CD2-CD1 4.13Å; L271-L828 HydrophobicContact CD2-CD2 4.27Å; L271-L828 HydrophobicContact CG-CD2 4.07Å; L274-L828 HydrophobicContact CD1-CD1 3.89Å; L274-L828 HydrophobicContact CD2-CD1 4.24Å; L274-L828 HydrophobicContact CG-CD1 4.22Å; L282-L828 HydrophobicContact CD1-CB 4.16Å; L282-L828 HydrophobicContact CD2-CB 3.85Å; L282-L828 HydrophobicContact CD2-CD1 4.06Å; L824-L828 HydrophobicContact CD1-CD1 3.95Å; L824-L828 HydrophobicContact CD1-CG 4.27Å; L824-L828 HydrophobicContact CG-CD1 4.13Å; L824-L828 WeakPolarHBondContact O-CB 3.34Å; L824-L828 WeakPolarHBondContact O-CG 3.43Å; L824-L828 PolarHBondContact O-N 2.79Å; I825-L828 PolarHBondContact O-N 3.35Å; H826-L828 PolarHBondContact O-N 2.87Å; L828-V830 PolarHBondContact O-N 3.15Å; L828-C831 PolarHBondContact O-N 3.46Å; L828-I832 HydrophobicContact CB-CD1 4.4Å; L828-I832 WeakPolarHBondContact O-CB 3.39Å; L828-I832 WeakPolarHBondContact O-CD1 3.14Å; L828-I832 VanDerWaalsContact O-CG1 3.23Å; L828-I832 WeakPolarHBondContact O-CG1 3.41Å; L828-I832 PolarHBondContact O-N 3.39Å
829F94.8Very high92.2Very high46 Ų4647 Ų4720%0.20225%0.254CS..Hα-helixtrans-56.9-47.1174.9169.4-90.9000112L282 N285 L286 I825 H826 S833L282-F829 HydrophobicContact CD1-CB 3.96Å; N285-F829 HydrophobicContact CB-CD2 4.25Å; N285-F829 WeakPolarHBondContact O-CE2 3.11Å; L286-F829 HydrophobicContact CD2-CD2 3.64Å; L286-F829 HydrophobicContact CD2-CE2 4.21Å; L286-F829 HydrophobicContact CD2-CG 4.41Å; L286-F829 HydrophobicContact CG-CD2 4.11Å; I825-F829 WeakPolarHBondContact O-CB 3.22Å; I825-F829 PolarHBondContact O-N 3.24Å; H826-F829 WeakPolarHBondContact O-CB 3.38Å; H826-F829 PolarHBondContact O-N 2.7Å; F829-S833 WeakPolarHBondContact O-CB 3.34Å; F829-S833 PolarHBondContact O-N 3.45Å; F829-S833 PolarHBondContact O-OG 3.48Å
830V93.4Very high92.5Very high79 Ų7940.2 Ų40.248%0.47922%0.222SC..Hα-helixtrans-64.4-44.7177.91730000111.4H826 R827 L828 G834H826-V830 WeakPolarHBondContact O-CG2 3.26Å; H826-V830 PolarHBondContact O-N 2.98Å; R827-V830 PolarHBondContact O-N 3.36Å; L828-V830 PolarHBondContact O-N 3.15Å; V830-G834 PolarHBondContact O-N 2.87Å
831C94.5Very high92.4Very high48 Ų4842.7 Ų42.732%0.32424%0.236SC..Hα-helixtrans-66.2-41.4179-69.40000113I267 R827 L828 V835I267-C831 HydrophobicContact CD1-CB 3.97Å; I267-C831 HydrophobicContact CG1-CB 4.01Å; R827-C831 WeakPolarHBondContact O-CB 3.14Å; R827-C831 PolarHBondContact O-N 3.25Å; R827-C831 PolarHBondContact O-SG 2.84Å; L828-C831 PolarHBondContact O-N 3.46Å; C831-V835 WeakPolarHBondContact O-CG2 3.42Å; C831-V835 PolarHBondContact O-N 2.98Å
832I95.6Very high92.4Very high0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-70.9-44.1179.9-67.4161.1000110.5R229 I232 V233 I267 L271 L282 L286 L828 V835 A836R229-I832 HydrophobicContact CB-CG2 4.4Å; R229-I832 WeakPolarHBondContact O-CG2 3.45Å; I232-I832 HydrophobicContact CB-CG2 4.15Å; I232-I832 HydrophobicContact CD1-CG2 4.27Å; I232-I832 HydrophobicContact CG2-CG1 4.31Å; I232-I832 HydrophobicContact CG2-CG2 4.12Å; V233-I832 HydrophobicContact CG2-CD1 3.79Å; I267-I832 HydrophobicContact CD1-CG1 4.32Å; I267-I832 HydrophobicContact CG2-CD1 4.12Å; I267-I832 HydrophobicContact CG2-CG1 3.78Å; L271-I832 HydrophobicContact CD2-CD1 4.44Å; L282-I832 HydrophobicContact CD2-CD1 4.19Å; L286-I832 HydrophobicContact CD1-CD1 4.12Å; L286-I832 HydrophobicContact CD1-CG2 4.08Å; L286-I832 HydrophobicContact CD2-CB 4.03Å; L286-I832 HydrophobicContact CD2-CG2 3.77Å; L828-I832 HydrophobicContact CB-CD1 4.4Å; L828-I832 WeakPolarHBondContact O-CB 3.39Å; L828-I832 WeakPolarHBondContact O-CD1 3.14Å; L828-I832 VanDerWaalsContact O-CG1 3.23Å; L828-I832 WeakPolarHBondContact O-CG1 3.41Å; L828-I832 PolarHBondContact O-N 3.39Å; I832-V835 PolarHBondContact O-N 3.43Å; I832-A836 PolarHBondContact O-N 2.93Å
833S94.4Very high92.4Very high7 Ų744.4 Ų44.45%0.04923%0.231CC..Hα-helixtrans-61.9-47.9174.9-56.10000110.8F829 V835 A836 D837F829-S833 WeakPolarHBondContact O-CB 3.34Å; F829-S833 PolarHBondContact O-N 3.45Å; F829-S833 PolarHBondContact O-OG 3.48Å; S833-V835 PolarHBondContact O-N 3.27Å; S833-V835 VanDerWaalsContact O-N 3.14Å; S833-A836 CarbonylContact O-C 3.43Å; S833-A836 PolarHBondContact O-N 3.28Å; S833-D837 WeakPolarHBondContact O-CB 3.36Å; S833-D837 PolarHBondContact O-N 2.9Å
834G93.8Very high92.2Very high28 Ų2844.1 Ų44.129%0.28923%0.233SC..Hα-helixtrans-60.7-24.517800000115V830 Q838V830-G834 PolarHBondContact O-N 2.87Å; G834-Q838 WeakPolarHBondContact O-CB 3.41Å; G834-Q838 VanDerWaalsContact O-CG 3.29Å; G834-Q838 WeakPolarHBondContact O-CG 3.28Å; G834-Q838 PolarHBondContact O-N 2.94Å; G834-Q838 PolarHBondContact O-NE2 2.81Å
835V95.1Very high91.7Very high0 Ų048.1 Ų48.10%026%0.261CS..Hα-helixtrans-79.7-46.1168.6173.10000111I232 F260 L263 I267 C831 I832 S833 D837 Q838 L839I232-V835 HydrophobicContact CD1-CB 4.1Å; I232-V835 HydrophobicContact CD1-CG1 3.78Å; F260-V835 HydrophobicContact CB-CG1 4.21Å; F260-V835 HydrophobicContact CB-CG2 4.5Å; F260-V835 HydrophobicContact CD1-CG1 4.36Å; F260-V835 HydrophobicContact CD1-CG2 4.23Å; F260-V835 HydrophobicContact CD2-CG1 4.04Å; F260-V835 HydrophobicContact CG-CG1 3.92Å; F260-V835 HydrophobicContact CG-CG2 4.4Å; L263-V835 HydrophobicContact CD2-CG2 3.55Å; L263-V835 HydrophobicContact CG-CG2 4.21Å; I267-V835 HydrophobicContact CD1-CG2 4.33Å; C831-V835 WeakPolarHBondContact O-CG2 3.42Å; C831-V835 PolarHBondContact O-N 2.98Å; I832-V835 PolarHBondContact O-N 3.43Å; S833-V835 PolarHBondContact O-N 3.27Å; S833-V835 VanDerWaalsContact O-N 3.14Å; V835-D837 VanDerWaalsContact C-N 3.33Å; V835-D837 PolarHBondContact O-N 3.47Å; V835-Q838 PolarHBondContact O-N 3.22Å; V835-L839 HydrophobicContact CG1-CD1 4.25Å; V835-L839 WeakPolarHBondContact O-CG 3.4Å; V835-L839 PolarHBondContact O-N 3.32Å
836A94.4Very high91.4Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-58.9-42.417800000112.8P228 R229 I232 I832 S833 Q838 L839 Q840P228-A836 HydrophobicContact CB-CB 4.14Å; R229-A836 HydrophobicContact CB-CB 4.47Å; R229-A836 HydrophobicContact CG-CB 3.45Å; R229-A836 VanDerWaalsContact CG-CB 3.45Å; I232-A836 HydrophobicContact CD1-CB 4.2Å; I832-A836 PolarHBondContact O-N 2.93Å; S833-A836 CarbonylContact O-C 3.43Å; S833-A836 PolarHBondContact O-N 3.28Å; A836-Q838 VanDerWaalsContact C-N 3.33Å; A836-L839 WeakPolarHBondContact O-CB 3.4Å; A836-L839 PolarHBondContact O-N 3.09Å; A836-L839 VanDerWaalsContact O-N 3.17Å; A836-Q840 WeakPolarHBondContact O-CG 3.49Å; A836-Q840 PolarHBondContact O-N 2.92Å
837D92.6Very high91.4Very high44 Ų4444 Ų4424%0.23524%0.244CC..Hα-helixtrans-72.9-29.6-179-52.7-19.2000110.6R229 S833 V835 T841R229-D837 IonicContact CZ-OD1 2.95Å; R229-D837 IonicContact NE-OD1 3.26Å; R229-D837 PolarHBondContact NE-OD1 3.35Å; R229-D837 VanDerWaalsContact NH2-CG 3.34Å; R229-D837 IonicContact NH2-OD1 2.98Å; R229-D837 PolarHBondContact NH2-OD1 2.99Å; R229-D837 IonicContact NH2-OD2 3.94Å; R229-D837 PolarHBondContact NH2-OD2 3.18Å; R229-D837 VanDerWaalsContact NH2-OD2 3.11Å; S833-D837 WeakPolarHBondContact O-CB 3.36Å; S833-D837 PolarHBondContact O-N 2.9Å; V835-D837 VanDerWaalsContact C-N 3.33Å; V835-D837 PolarHBondContact O-N 3.47Å; D837-T841 WeakPolarHBondContact O-CG2 3.5Å; D837-T841 PolarHBondContact O-N 3.44Å; D837-T841 VanDerWaalsContact O-N 3.12Å; D837-T841 PolarHBondContact O-OG1 3.25Å
838Q92.3Very high91.2Very high87 Ų8745.9 Ų45.941%0.40725%0.25SS..Hα-helixtrans-72.3-29.8168.6-80.9179.782.700113.6F260 G834 V835 A836 T841 N842F260-Q838 HydrophobicContact CE1-CB 4.06Å; F260-Q838 HydrophobicContact CZ-CB 3.75Å; G834-Q838 WeakPolarHBondContact O-CB 3.41Å; G834-Q838 VanDerWaalsContact O-CG 3.29Å; G834-Q838 WeakPolarHBondContact O-CG 3.28Å; G834-Q838 PolarHBondContact O-N 2.94Å; G834-Q838 PolarHBondContact O-NE2 2.81Å; V835-Q838 PolarHBondContact O-N 3.22Å; A836-Q838 VanDerWaalsContact C-N 3.33Å; Q838-T841 WeakPolarHBondContact CA-OG1 3.49Å; Q838-T841 PolarHBondContact O-OG1 3.35Å; Q838-N842 WeakPolarHBondContact O-CB 3.44Å; Q838-N842 PolarHBondContact O-N 2.83Å; Q838-N842 PolarHBondContact O-ND2 2.92Å
839L91.8Very high90.8Very high4 Ų448.2 Ų48.22%0.02127%0.267CS..Hα-helixtrans-67.8-43.3170.4-70166.4000111.1I232 L256 F257 F260 V835 A836 T841 Y843I232-L839 HydrophobicContact CD1-CD1 4.42Å; L256-L839 HydrophobicContact CB-CD2 3.89Å; L256-L839 WeakPolarHBondContact O-CD2 3.35Å; F257-L839 HydrophobicContact CD1-CD1 4.08Å; F257-L839 HydrophobicContact CD1-CD2 4.43Å; F257-L839 HydrophobicContact CE1-CD1 3.46Å; F257-L839 VanDerWaalsContact CE1-CD1 3.46Å; F257-L839 HydrophobicContact CE1-CD2 4.41Å; F257-L839 HydrophobicContact CZ-CD1 4.12Å; F260-L839 HydrophobicContact CD2-CD2 4.43Å; F260-L839 HydrophobicContact CE2-CD2 4.01Å; F260-L839 HydrophobicContact CE2-CG 4.35Å; V835-L839 HydrophobicContact CG1-CD1 4.25Å; V835-L839 WeakPolarHBondContact O-CG 3.4Å; V835-L839 PolarHBondContact O-N 3.32Å; A836-L839 WeakPolarHBondContact O-CB 3.4Å; A836-L839 PolarHBondContact O-N 3.09Å; A836-L839 VanDerWaalsContact O-N 3.17Å; L839-T841 VanDerWaalsContact C-N 3.34Å; L839-T841 PolarHBondContact O-N 2.85Å; L839-Y843 HydrophobicContact CD2-CD2 4.17Å; L839-Y843 CarbonylContact O-C 3.56Å; L839-Y843 WeakPolarHBondContact O-CA 3.15Å; L839-Y843 WeakPolarHBondContact O-CB 3.41Å; L839-Y843 PolarHBondContact O-N 3.08Å
840Q89.3Confident90.7Very high34 Ų3446 Ų4616%0.15926%0.257CS..Hα-helixtrans-61.3-39.8176.3-71.7178.8-2.500113.4M224 A836 A844 L847M224-Q840 VanDerWaalsContact C-NE2 3.32Å; M224-Q840 PolarHBondContact O-NE2 2.93Å; A836-Q840 WeakPolarHBondContact O-CG 3.49Å; A836-Q840 PolarHBondContact O-N 2.92Å; Q840-A844 WeakPolarHBondContact O-CA 3.29Å; Q840-A844 VanDerWaalsContact O-CB 3.25Å; Q840-A844 WeakPolarHBondContact O-CB 3.36Å; Q840-L847 HydrophobicContact CB-CD2 4.19Å; Q840-L847 HydrophobicContact CG-CD2 3.57Å
841T89.6Confident90.5Very high101 Ų10142.5 Ų42.562%0.6224%0.236SC*.Hα-helixtrans-81.9-50-175.643.80000112.2D837 Q838 L839D837-T841 WeakPolarHBondContact O-CG2 3.5Å; D837-T841 PolarHBondContact O-N 3.44Å; D837-T841 VanDerWaalsContact O-N 3.12Å; D837-T841 PolarHBondContact O-OG1 3.25Å; Q838-T841 WeakPolarHBondContact CA-OG1 3.49Å; Q838-T841 PolarHBondContact O-OG1 3.35Å; L839-T841 VanDerWaalsContact C-N 3.34Å; L839-T841 PolarHBondContact O-N 2.85Å
842N88.6Confident90.3Very high106 Ų10645 Ų4557%0.56724%0.241SC*.Hα-helixtrans-81.9-27.5-175.7-60.8-66000113.5Q838Q838-N842 WeakPolarHBondContact O-CB 3.44Å; Q838-N842 PolarHBondContact O-N 2.83Å; Q838-N842 PolarHBondContact O-ND2 2.92Å
843Y89.2Confident89.9Confident56 Ų5647.3 Ų47.322%0.2226%0.255CS..SBendtrans-123.532.9-174.3-57.7-85.5000112.6E255 L256 P259 F260 L839 S845 D846 L847E255-Y843 PolarHBondContact O-OH 3.26Å; L256-Y843 VanDerWaalsContact CD2-CB 3.41Å; L256-Y843 HydrophobicContact CD2-CD1 3.72Å; L256-Y843 HydrophobicContact CD2-CD2 4.32Å; L256-Y843 HydrophobicContact CD2-CG 3.57Å; P259-Y843 WeakPolarHBondContact CG-OH 3.45Å; F260-Y843 HydrophobicContact CE2-CE2 4.46Å; L839-Y843 HydrophobicContact CD2-CD2 4.17Å; L839-Y843 CarbonylContact O-C 3.56Å; L839-Y843 WeakPolarHBondContact O-CA 3.15Å; L839-Y843 WeakPolarHBondContact O-CB 3.41Å; L839-Y843 PolarHBondContact O-N 3.08Å; Y843-S845 PolarHBondContact O-N 2.72Å; Y843-S845 VanDerWaalsContact O-N 3.11Å; Y843-D846 PolarHBondContact O-N 2.85Å; Y843-D846 VanDerWaalsContact O-N 3.12Å; Y843-L847 PolarHBondContact O-N 2.96Å
844A85.8Confident89.8Confident27 Ų2747 Ų4722%0.22325%0.253CS..Hα-helixtrans-51.1-37.1-174.400000114.7Q840 R848Q840-A844 WeakPolarHBondContact O-CA 3.29Å; Q840-A844 VanDerWaalsContact O-CB 3.25Å; Q840-A844 WeakPolarHBondContact O-CB 3.36Å; A844-R848 WeakPolarHBondContact O-CB 3.42Å; A844-R848 VanDerWaalsContact O-CD 3.32Å; A844-R848 WeakPolarHBondContact O-CD 3.49Å; A844-R848 WeakPolarHBondContact O-CG 3.48Å; A844-R848 PolarHBondContact O-N 2.66Å; A844-R848 VanDerWaalsContact O-N 3.16Å
845S81.9Confident89.7Confident84 Ų8446.5 Ų46.559%0.58724%0.243SC*.Hα-helixtrans-68.8-48.2178.7430000112.3Y843 R848 S849Y843-S845 PolarHBondContact O-N 2.72Å; Y843-S845 VanDerWaalsContact O-N 3.11Å; S845-R848 PolarHBondContact O-N 2.98Å; S845-S849 PolarHBondContact O-N 3.05Å
846D86Confident89.3Confident43 Ų4350.9 Ų50.923%0.2326%0.263CS..Hα-helixtrans-69.5-40-178.7-66.9-50.3000111.3K183 L256 Y843 R848 S849 I850K183-D846 WeakPolarHBondContact CE-OD1 3.5Å; K183-D846 IonicContact NZ-OD1 3.82Å; K183-D846 PolarHBondContact NZ-OD1 3.05Å; L256-D846 HydrophobicContact CD2-CB 3.88Å; Y843-D846 PolarHBondContact O-N 2.85Å; Y843-D846 VanDerWaalsContact O-N 3.12Å; D846-R848 PolarHBondContact O-N 2.71Å; D846-S849 WeakPolarHBondContact O-CB 3.3Å; D846-S849 PolarHBondContact O-N 3.16Å; D846-I850 VanDerWaalsContact O-CG1 3.29Å; D846-I850 WeakPolarHBondContact O-CG1 3.4Å; D846-I850 PolarHBondContact O-N 3.21Å
847L89.7Confident89Confident7 Ų753.6 Ų53.64%0.03728%0.28CS..Hα-helixtrans-63.9-41.1176.1-173.262.7000111.9F198 P228 Q840 Y843 I850 L851F198-L847 HydrophobicContact CE1-CD1 3.83Å; F198-L847 HydrophobicContact CZ-CD1 4.15Å; P228-L847 HydrophobicContact CG-CD1 4.01Å; P228-L847 HydrophobicContact CG-CD2 4.29Å; Q840-L847 HydrophobicContact CB-CD2 4.19Å; Q840-L847 HydrophobicContact CG-CD2 3.57Å; Y843-L847 PolarHBondContact O-N 2.96Å; L847-I850 PolarHBondContact O-N 3.05Å; L847-L851 HydrophobicContact CD1-CD1 4.45Å; L847-L851 HydrophobicContact CG-CD1 4.13Å; L847-L851 WeakPolarHBondContact O-CB 3.33Å; L847-L851 WeakPolarHBondContact O-CG 3.5Å; L847-L851 PolarHBondContact O-N 2.98Å
848R88.8Confident88.6Confident161 Ų16151.8 Ų51.861%0.60827%0.27SS*.Hα-helixtrans-64.8-38.6173.1-74169-169.71536112.2A844 S845 D846 L851 K852A844-R848 WeakPolarHBondContact O-CB 3.42Å; A844-R848 VanDerWaalsContact O-CD 3.32Å; A844-R848 WeakPolarHBondContact O-CD 3.49Å; A844-R848 WeakPolarHBondContact O-CG 3.48Å; A844-R848 PolarHBondContact O-N 2.66Å; A844-R848 VanDerWaalsContact O-N 3.16Å; S845-R848 PolarHBondContact O-N 2.98Å; D846-R848 PolarHBondContact O-N 2.71Å; R848-L851 PolarHBondContact O-N 3.35Å; R848-K852 WeakPolarHBondContact O-CB 3.49Å; R848-K852 PolarHBondContact O-N 3.11Å
849S86.3Confident87.9Confident50 Ų5049.6 Ų49.635%0.3527%0.267SS..Hα-helixtrans-62-45.8174169.60000111.6Q191 S845 D846 T853Q191-S849 PolarHBondContact NE2-OG 3.16Å; Q191-S849 VanDerWaalsContact NE2-OG 3.07Å; S845-S849 PolarHBondContact O-N 3.05Å; D846-S849 WeakPolarHBondContact O-CB 3.3Å; D846-S849 PolarHBondContact O-N 3.16Å; S849-T853 PolarHBondContact O-N 3.04Å; S849-T853 PolarHBondContact O-OG1 2.79Å
850I91Very high86.5Confident0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-62.1-47.2176.7-70.5162.9000111Q191 V194 I195 F198 L256 D846 L847 T853 L854Q191-I850 HydrophobicContact CG-CD1 4.31Å; Q191-I850 HydrophobicContact CG-CG1 4.01Å; V194-I850 HydrophobicContact CG1-CD1 3.86Å; I195-I850 HydrophobicContact CG1-CB 4.22Å; I195-I850 HydrophobicContact CG1-CG1 3.95Å; I195-I850 HydrophobicContact CG1-CG2 3.99Å; F198-I850 HydrophobicContact CB-CG2 4.41Å; F198-I850 HydrophobicContact CD1-CG2 3.64Å; F198-I850 HydrophobicContact CE1-CG2 4Å; F198-I850 HydrophobicContact CG-CG2 3.99Å; L256-I850 HydrophobicContact CD1-CD1 3.56Å; D846-I850 VanDerWaalsContact O-CG1 3.29Å; D846-I850 WeakPolarHBondContact O-CG1 3.4Å; D846-I850 PolarHBondContact O-N 3.21Å; L847-I850 PolarHBondContact O-N 3.05Å; I850-T853 PolarHBondContact O-N 3.43Å; I850-L854 WeakPolarHBondContact O-CB 3.37Å; I850-L854 PolarHBondContact O-N 2.89Å
851L90.6Very high85Confident6 Ų657 Ų573%0.03131%0.308CS..Hα-helixtrans-67.3-40.1-179.7-71.4172.6000112.5F198 M224 I227 L847 R848 T853 L854 F855F198-L851 HydrophobicContact CD1-CD2 4.32Å; M224-L851 HydrophobicContact CG-CD1 4.22Å; I227-L851 HydrophobicContact CB-CD2 4.33Å; I227-L851 HydrophobicContact CD1-CD2 4.06Å; I227-L851 HydrophobicContact CG2-CD2 4.24Å; L847-L851 HydrophobicContact CD1-CD1 4.45Å; L847-L851 HydrophobicContact CG-CD1 4.13Å; L847-L851 WeakPolarHBondContact O-CB 3.33Å; L847-L851 WeakPolarHBondContact O-CG 3.5Å; L847-L851 PolarHBondContact O-N 2.98Å; R848-L851 PolarHBondContact O-N 3.35Å; L851-T853 PolarHBondContact O-N 2.71Å; L851-L854 PolarHBondContact O-N 2.95Å; L851-F855 HydrophobicContact CB-CD2 4.42Å; L851-F855 HydrophobicContact CB-CE2 3.95Å; L851-F855 HydrophobicContact CD2-CZ 4.34Å; L851-F855 WeakPolarHBondContact O-CD2 3.25Å; L851-F855 WeakPolarHBondContact O-CG 3.49Å; L851-F855 PolarHBondContact O-N 2.84Å
852K88.9Confident83Confident101 Ų10156.3 Ų56.344%0.43931%0.306SS..Hα-helixtrans-55.2-53.7173.2176.8179173.4-176.30110.8E90 R848 L854 F855 E856E90-K852 IonicContact OE1-NZ 3.27Å; E90-K852 PolarHBondContact OE1-NZ 2.99Å; R848-K852 WeakPolarHBondContact O-CB 3.49Å; R848-K852 PolarHBondContact O-N 3.11Å; K852-L854 VanDerWaalsContact C-N 3.31Å; K852-L854 PolarHBondContact O-N 2.83Å; K852-F855 PolarHBondContact O-N 2.89Å; K852-E856 WeakPolarHBondContact CE-OE1 3.17Å; K852-E856 VanDerWaalsContact CG-OE1 3.27Å; K852-E856 WeakPolarHBondContact CG-OE1 3.37Å; K852-E856 VanDerWaalsContact O-CG 3.32Å; K852-E856 WeakPolarHBondContact O-CG 2.91Å; K852-E856 PolarHBondContact O-N 3.07Å
853T88.4Confident81Confident47 Ų4760.8 Ų60.829%0.28832%0.323SS..Hα-helixtrans-64.1-35.2178.8-55.70000112.4I195 S849 I850 L851 V857I195-T853 HydrophobicContact CD1-CG2 4.19Å; I195-T853 HydrophobicContact CG2-CG2 4.15Å; S849-T853 PolarHBondContact O-N 3.04Å; S849-T853 PolarHBondContact O-OG1 2.79Å; I850-T853 PolarHBondContact O-N 3.43Å; L851-T853 PolarHBondContact O-N 2.71Å; T853-V857 HydrophobicContact CG2-CG2 4.37Å; T853-V857 VanDerWaalsContact O-CB 3.31Å; T853-V857 WeakPolarHBondContact O-CB 3.11Å; T853-V857 WeakPolarHBondContact O-CG2 3.47Å; T853-V857 PolarHBondContact O-N 2.78Å
854L92.4Very high78.9Confident0 Ų066.6 Ų66.60%035%0.353CS..Hα-helixtrans-62.1-48.6173.5176.8146.3000111.9F198 V202 I227 I850 L851 K852 E856 V857 M858F198-L854 VanDerWaalsContact C-CD1 3.41Å; F198-L854 HydrophobicContact CB-CD1 3.58Å; F198-L854 WeakPolarHBondContact O-CD1 3.5Å; V202-L854 HydrophobicContact CG2-CD1 3.92Å; V202-L854 HydrophobicContact CG2-CD2 4.26Å; I227-L854 HydrophobicContact CD1-CD2 4.24Å; I227-L854 HydrophobicContact CG2-CD1 4.45Å; I850-L854 WeakPolarHBondContact O-CB 3.37Å; I850-L854 PolarHBondContact O-N 2.89Å; L851-L854 PolarHBondContact O-N 2.95Å; K852-L854 VanDerWaalsContact C-N 3.31Å; K852-L854 PolarHBondContact O-N 2.83Å; L854-E856 PolarHBondContact O-N 3.43Å; L854-V857 CarbonylContact O-C 3.59Å; L854-V857 PolarHBondContact O-N 2.86Å; L854-M858 HydrophobicContact CD2-CG 4.02Å; L854-M858 HydrophobicContact CG-CG 4.06Å; L854-M858 WeakPolarHBondContact O-CB 3.35Å; L854-M858 VanDerWaalsContact O-CG 3.28Å; L854-M858 WeakPolarHBondContact O-CG 3.49Å; L854-M858 PolarHBondContact O-N 2.93Å
855F90.9Very high76.9Confident18 Ų1868.6 Ų68.68%0.07938%0.376CS..Hα-helixtrans-65.6-41-177.5-63.3-47000111.3I216 Y219 L223 I227 L851 K852 V857 M858 A859I216-F855 HydrophobicContact CG2-CD1 3.99Å; I216-F855 HydrophobicContact CG2-CE1 4.48Å; Y219-F855 HydrophobicContact CD1-CB 4.1Å; Y219-F855 AromaticContact CD1-CD2 3.58Å; Y219-F855 HydrophobicContact CD1-CD2 3.58Å; Y219-F855 HydrophobicContact CD1-CE2 4.17Å; Y219-F855 AromaticContact CD1-CG 3.91Å; Y219-F855 HydrophobicContact CD1-CG 3.91Å; Y219-F855 HydrophobicContact CE1-CB 3.44Å; Y219-F855 VanDerWaalsContact CE1-CB 3.44Å; Y219-F855 AromaticContact CE1-CD2 3.74Å; Y219-F855 HydrophobicContact CE1-CD2 3.74Å; Y219-F855 AromaticContact CE1-CG 3.79Å; Y219-F855 HydrophobicContact CE1-CG 3.79Å; L223-F855 HydrophobicContact CB-CZ 4.17Å; L223-F855 HydrophobicContact CD1-CE1 3.74Å; L223-F855 HydrophobicContact CD1-CZ 4.06Å; I227-F855 HydrophobicContact CD1-CE1 4.02Å; I227-F855 HydrophobicContact CD1-CZ 4.2Å; L851-F855 HydrophobicContact CB-CD2 4.42Å; L851-F855 HydrophobicContact CB-CE2 3.95Å; L851-F855 HydrophobicContact CD2-CZ 4.34Å; L851-F855 WeakPolarHBondContact O-CD2 3.25Å; L851-F855 WeakPolarHBondContact O-CG 3.49Å; L851-F855 PolarHBondContact O-N 2.84Å; K852-F855 PolarHBondContact O-N 2.89Å; F855-V857 VanDerWaalsContact C-N 3.33Å; F855-V857 PolarHBondContact O-N 3.32Å; F855-M858 PolarHBondContact O-N 3.31Å; F855-A859 WeakPolarHBondContact O-CB 3.33Å; F855-A859 PolarHBondContact O-N 2.97Å
856E86.9Confident74.8Confident92 Ų9271.2 Ų71.243%0.4338%0.384SS..Hα-helixtrans-57.3-42.4171.4-69.3165.6178.500112.3K852 L854 T860K852-E856 WeakPolarHBondContact CE-OE1 3.17Å; K852-E856 VanDerWaalsContact CG-OE1 3.27Å; K852-E856 WeakPolarHBondContact CG-OE1 3.37Å; K852-E856 VanDerWaalsContact O-CG 3.32Å; K852-E856 WeakPolarHBondContact O-CG 2.91Å; K852-E856 PolarHBondContact O-N 3.07Å; L854-E856 PolarHBondContact O-N 3.43Å; E856-T860 WeakPolarHBondContact O-CG2 3.4Å; E856-T860 PolarHBondContact O-OG1 2.93Å
857V87.8Confident72.2Confident57 Ų5776.7 Ų76.735%0.34541%0.413SS..Hα-helixtrans-77.5-24.8179.21680000113.5T853 L854 F855 T860 K861T853-V857 HydrophobicContact CG2-CG2 4.37Å; T853-V857 VanDerWaalsContact O-CB 3.31Å; T853-V857 WeakPolarHBondContact O-CB 3.11Å; T853-V857 WeakPolarHBondContact O-CG2 3.47Å; T853-V857 PolarHBondContact O-N 2.78Å; L854-V857 CarbonylContact O-C 3.59Å; L854-V857 PolarHBondContact O-N 2.86Å; F855-V857 VanDerWaalsContact C-N 3.33Å; F855-V857 PolarHBondContact O-N 3.32Å; V857-T860 PolarHBondContact O-OG1 3.38Å; V857-K861 VanDerWaalsContact O-CE 3.29Å; V857-K861 WeakPolarHBondContact O-CE 3.47Å; V857-K861 WeakPolarHBondContact O-CG 3.3Å
858M83.6Confident69.9Low6 Ų683.5 Ų83.53%0.0345%0.449CS..Hα-helixtrans-88.8-43.4-179.1-72-56.6-55.400112.5V202 E203 L206 I216 L854 F855 T860 K861V202-M858 HydrophobicContact CG1-CE 4.11Å; V202-M858 HydrophobicContact CG1-CG 4.45Å; E203-M858 HydrophobicContact CG-CE 3.92Å; E203-M858 HydrophobicContact CG-SD 4.24Å; L206-M858 HydrophobicContact CD1-CE 3.96Å; I216-M858 HydrophobicContact CG2-CB 4.11Å; L854-M858 HydrophobicContact CD2-CG 4.02Å; L854-M858 HydrophobicContact CG-CG 4.06Å; L854-M858 WeakPolarHBondContact O-CB 3.35Å; L854-M858 VanDerWaalsContact O-CG 3.28Å; L854-M858 WeakPolarHBondContact O-CG 3.49Å; L854-M858 PolarHBondContact O-N 2.93Å; F855-M858 PolarHBondContact O-N 3.31Å; M858-T860 VanDerWaalsContact C-N 3.25Å; M858-T860 PolarHBondContact O-N 3.47Å; M858-K861 HydrophobicContact CE-CD 4.23Å; M858-K861 PolarHBondContact O-N 2.95Å; M858-K861 HydrophobicContact SD-CD 3.98Å; M858-K861 PolarHBondContact SD-NZ 3.04Å
859A77.4Confident67.5Low42 Ų4285.1 Ų85.135%0.34746%0.461SS..Hα-helixtrans-59.8-36.8176.900000112F855 K861 C862F855-A859 WeakPolarHBondContact O-CB 3.33Å; F855-A859 PolarHBondContact O-N 2.97Å; A859-K861 PolarHBondContact O-N 3.43Å; A859-C862 PolarHBondContact O-N 3.49Å
860T63.1Low65.1Low109 Ų10991.5 Ų91.567%0.66949%0.485SS*.THydrogen-bonded Turntrans-70.3-9-179.846.30000115E856 V857 M858E856-T860 WeakPolarHBondContact O-CG2 3.4Å; E856-T860 PolarHBondContact O-OG1 2.93Å; V857-T860 PolarHBondContact O-OG1 3.38Å; M858-T860 VanDerWaalsContact C-N 3.25Å; M858-T860 PolarHBondContact O-N 3.47Å
861K59.1Low62.4Low85 Ų85101.2 Ų101.237%0.3753%0.527SS..THydrogen-bonded Turntrans-81.9-15.4178.9-70.2171.5-175.61740114.1E203 V857 M858 A859 E863E203-K861 IonicContact OE1-NZ 3.07Å; E203-K861 PolarHBondContact OE1-NZ 2.75Å; V857-K861 VanDerWaalsContact O-CE 3.29Å; V857-K861 WeakPolarHBondContact O-CE 3.47Å; V857-K861 WeakPolarHBondContact O-CG 3.3Å; M858-K861 HydrophobicContact CE-CD 4.23Å; M858-K861 PolarHBondContact O-N 2.95Å; M858-K861 HydrophobicContact SD-CD 3.98Å; M858-K861 PolarHBondContact SD-NZ 3.04Å; A859-K861 PolarHBondContact O-N 3.43Å; K861-E863 PolarHBondContact O-N 2.97Å
862C45.7Very low59.4Low86 Ų86110.8 Ų110.858%0.58157%0.569SS**G310 helixtrans-66.8-37.6-169.3-165.10000114A859 Q864A859-C862 PolarHBondContact O-N 3.49Å; C862-Q864 PolarHBondContact O-N 3.45Å; C862-Q864 VanDerWaalsContact O-N 3.09Å
863E46.7Very low56.7Low199 Ų199109.4 Ų109.493%0.9358%0.583SS**G310 helixtrans-68.9-10.4-173.6-66.1-154.9134.300115.1K861 G865K861-E863 PolarHBondContact O-N 2.97Å; E863-G865 VanDerWaalsContact C-N 3.32Å; E863-G865 PolarHBondContact O-N 3.11Å
864Q46.8Very low54.2Low178 Ų178113 Ų11383%0.83261%0.607SS**G310 helixtrans-87.12.7-173-159.552.39100114.2C862C862-Q864 PolarHBondContact O-N 3.45Å; C862-Q864 VanDerWaalsContact O-N 3.09Å
865G42.4Very low51.1Low69 Ų69119.2 Ų119.271%0.71165%0.645SS**SBendtrans-103-10.5-151.400000121.7E863E863-G865 VanDerWaalsContact C-N 3.32Å; E863-G865 PolarHBondContact O-N 3.11Å
866D38.5Very low48.6Very low140 Ų140126.2 Ų126.275%0.74968%0.682SS**  trans-158.6120.2168.5-177.619.4000113.7
867N30.7Very low45.7Very low157 Ų157133.5 Ų133.584%0.8471%0.705SS**  trans-170.861.9147-118.3-87.8000114.1K869N867-K869 PolarHBondContact O-N 2.78Å; N867-K869 VanDerWaalsContact O-N 3.09Å
868D42Very low42.7Very low150 Ų150135.8 Ų135.880%0.80272%0.724SS**  trans-87.768.8-174.7-165.46.9000115.2
869K38.8Very low40.5Very low196 Ų196140.1 Ų140.185%0.85276%0.761SS**  trans-136.167.9172.1-71.3-171.9-179.6154.30116.3N867N867-K869 PolarHBondContact O-N 2.78Å; N867-K869 VanDerWaalsContact O-N 3.09Å
870Q36Very low38.2Very low184 Ų184143.9 Ų143.986%0.8678%0.779SS**  trans6096.9132.8-169.7-174.798.600119.9
871K32.8Very low37.2Very low203 Ų203147.2 Ų147.288%0.88379%0.792SS**  trans-163106.8137.3-114.3164-171.6168.90115.4
872K29.5Very low36.3Very low208 Ų208151.3 Ų151.390%0.90481%0.812SS**  trans18.5113.5154.3-57.5-177.7-179.7-178.10119.1
873G30.1Very low35.8Very low71 Ų71155.6 Ų155.673%0.73283%0.829SS**  trans-74.7-166.416600000115
874P36.3Very low35.3Very low122 Ų122149.6 Ų149.679%0.79281%0.809SS**  -148.5146.875.337.6-19.2000119.1
875V27.8Very low34.9Very low132 Ų132145.9 Ų145.980%0.881%0.809SS**  trans67.1102.1141-1780000120.5
876L38.7Very low34.7Very low164 Ų164150.2 Ų150.286%0.85982%0.815SS**  trans26.5125.8132.3-73.1161.9000120.8
877R25.9Very low34.6Very low245 Ų245148.5 Ų148.593%0.92581%0.812SS**  trans-142.1138.8130.4-89.4-154.1171.697.71.9112.4
878S24.4Very low35.1Very low106 Ų106149.2 Ų149.274%0.74181%0.811SS**  trans18.9129.7159.8-1550000120
879A37.7Very low34.9Very low97 Ų97149.9 Ų149.980%0.80281%0.809SS**  trans-57.4143.3154.400000111.1
880V28.5Very low34.8Very low121 Ų121146.8 Ų146.873%0.73381%0.807SS**  trans-137137.8159.6177.10000104.9E882V880-E882 PolarHBondContact O-N 3.23Å
881L42.1Very low35.1Very low178 Ų178142.9 Ų142.993%0.93279%0.79SS**  trans-76114.9178.2-72.9156.5000109.2
882E41.5Very low35.6Very low171 Ų171136.2 Ų136.280%0.79977%0.769SS**  trans-144.823176.1-152.3156.8-12900114V880V880-E882 PolarHBondContact O-N 3.23Å
883D34.4Very low36.4Very low176 Ų176131.4 Ų131.494%0.94176%0.762SS**  trans-100.181.6172.9-72.4-62.4000111.3
884C35.9Very low37.4Very low74 Ų74131.9 Ų131.950%0.575%0.754SS.*  trans-112.8103.4165-170.90000109.8L886 C887C884-L886 PolarHBondContact O-N 3.23Å; C884-C887 PolarHBondContact O-N 2.96Å
885A39.8Very low38.1Very low100 Ų100131.2 Ų131.283%0.82674%0.741SS**THydrogen-bonded Turntrans-64.8-2.3-174.300000115.3
886L36.8Very low39.2Very low160 Ų160128.8 Ų128.884%0.83872%0.722SS**THydrogen-bonded Turntrans-100.6-3.4179.8-60.8177.5000113.7C884C884-L886 PolarHBondContact O-N 3.23Å
887C37.1Very low39.8Very low103 Ų103123.4 Ų123.470%0.69670%0.702SS**SBendtrans-100.2-0.5-170.8-63.80000115.9C884C884-C887 PolarHBondContact O-N 2.96Å
888Q41Very low41.1Very low172 Ų172114.2 Ų114.280%0.80468%0.678SS**SBendtrans-120.7-5.6-173.6-65-165.720.200116.2T890Q888-T890 VanDerWaalsContact C-N 3.3Å; Q888-T890 PolarHBondContact O-N 3.04Å
889E37.8Very low42.4Very low165 Ų165116.2 Ų116.277%0.77167%0.673SS**  trans-84.863.3-179.5-70.4-116.9131.100113.5
890T35.9Very low43Very low131 Ų131114.2 Ų114.280%0.80466%0.657SS**  trans-125.275150.944.70000109.5Q888 S892Q888-T890 VanDerWaalsContact C-N 3.3Å; Q888-T890 PolarHBondContact O-N 3.04Å; T890-S892 PolarHBondContact O-N 3.12Å
891I44.1Very low44.1Very low101 Ų101118.8 Ų118.852%0.51866%0.661SS.*  trans-61.6100.8-179.7-53.3174.8000109.3E895 L896I891-E895 HydrophobicContact CG2-CB 4.38Å; I891-L896 HydrophobicContact CG2-CD1 3.5Å; I891-L896 VanDerWaalsContact CG2-CD1 3.5Å
892S42.5Very low44.5Very low63 Ų63117.5 Ų117.544%0.44165%0.65SS.*  trans-60.7143.5-178.6173.70000111T890 S894 E895T890-S892 PolarHBondContact O-N 3.12Å; S892-S894 WeakPolarHBondContact CB-OG 3.42Å; S892-S894 PolarHBondContact O-N 2.65Å; S892-S894 PolarHBondContact OG-N 3.18Å; S892-S894 PolarHBondContact OG-OG 3.16Å; S892-E895 WeakPolarHBondContact O-CB 3.46Å; S892-E895 PolarHBondContact O-N 3.35Å
893S47Very low45Very low107 Ų107112.1 Ų112.175%0.74864%0.641SS**Hα-helixtrans-58.4-18.7178-480000113.6E895 A897S893-E895 VanDerWaalsContact C-N 3.3Å; S893-E895 PolarHBondContact O-N 3.18Å; S893-A897 WeakPolarHBondContact O-CB 3.14Å; S893-A897 PolarHBondContact O-N 3.31Å
894S50.2Low46Very low81 Ų81111.8 Ų111.857%0.56663%0.633SS**Hα-helixtrans-65.2-28.4171.652.60000113.9S892 A898S892-S894 WeakPolarHBondContact CB-OG 3.42Å; S892-S894 PolarHBondContact O-N 2.65Å; S892-S894 PolarHBondContact OG-N 3.18Å; S892-S894 PolarHBondContact OG-OG 3.16Å; S894-A898 PolarHBondContact O-N 3.02Å; S894-A898 VanDerWaalsContact O-N 3.13Å
895E51.3Low47.2Very low109 Ų109113.3 Ų113.351%0.50963%0.632SS.*Hα-helixtrans-88.6-38.3-170.2-164.1160.8-154.700112.4I891 S892 S893 A897 A898 K899I891-E895 HydrophobicContact CG2-CB 4.38Å; S892-E895 WeakPolarHBondContact O-CB 3.46Å; S892-E895 PolarHBondContact O-N 3.35Å; S893-E895 VanDerWaalsContact C-N 3.3Å; S893-E895 PolarHBondContact O-N 3.18Å; E895-A897 PolarHBondContact O-N 2.9Å; E895-A898 WeakPolarHBondContact O-CB 3.35Å; E895-A898 PolarHBondContact O-N 3.23Å; E895-A898 VanDerWaalsContact O-N 3.15Å; E895-K899 PolarHBondContact O-N 3.15Å; E895-K899 VanDerWaalsContact O-N 3.13Å
896L50.2Low48.8Very low80 Ų80113.5 Ų113.542%0.41962%0.615SS.*Hα-helixtrans-60-38.2162.8-90.779.2000111.2I891 A898 K899 A900 V960I891-L896 HydrophobicContact CG2-CD1 3.5Å; I891-L896 VanDerWaalsContact CG2-CD1 3.5Å; L896-A898 PolarHBondContact O-N 3.18Å; L896-K899 PolarHBondContact O-N 3.32Å; L896-A900 VanDerWaalsContact O-CB 3.28Å; L896-A900 WeakPolarHBondContact O-CB 3.37Å; L896-A900 PolarHBondContact O-N 3.09Å; L896-V960 HydrophobicContact CD2-CG1 3.71Å
897A51.4Low50.6Low51 Ų51113.3 Ų113.342%0.42162%0.615SS.*Hα-helixtrans-70.1-14.9177.200000114S893 E895 R901S893-A897 WeakPolarHBondContact O-CB 3.14Å; S893-A897 PolarHBondContact O-N 3.31Å; E895-A897 PolarHBondContact O-N 2.9Å; A897-R901 WeakPolarHBondContact O-CD 3.3Å; A897-R901 PolarHBondContact O-NE 3.13Å
898A53.3Low52.5Low52 Ų52111.7 Ų111.743%0.4360%0.604SS.*Hα-helixtrans-81.1-55.416800000110.6S894 E895 L896 A900 R901S894-A898 PolarHBondContact O-N 3.02Å; S894-A898 VanDerWaalsContact O-N 3.13Å; E895-A898 WeakPolarHBondContact O-CB 3.35Å; E895-A898 PolarHBondContact O-N 3.23Å; E895-A898 VanDerWaalsContact O-N 3.15Å; L896-A898 PolarHBondContact O-N 3.18Å; A898-A900 VanDerWaalsContact C-N 3.26Å; A898-A900 PolarHBondContact O-N 2.95Å; A898-R901 WeakPolarHBondContact O-CB 3.32Å; A898-R901 PolarHBondContact O-N 3.07Å
899K51.4Low54.6Low148 Ų148105.3 Ų105.364%0.64358%0.577SS**Hα-helixtrans-59.3-34.5-179.7-68.9-174.7176.9178.30113E895 L896 R901 E902E895-K899 PolarHBondContact O-N 3.15Å; E895-K899 VanDerWaalsContact O-N 3.13Å; L896-K899 PolarHBondContact O-N 3.32Å; K899-R901 PolarHBondContact O-N 2.86Å; K899-E902 PolarHBondContact O-N 3.36Å; K899-E902 VanDerWaalsContact O-N 3.11Å
900A50.4Low56.8Low55 Ų55105 Ų10546%0.45558%0.58SS.*THydrogen-bonded Turntrans-62.8-9.8173.800000114.9L896 A898 F905L896-A900 VanDerWaalsContact O-CB 3.28Å; L896-A900 WeakPolarHBondContact O-CB 3.37Å; L896-A900 PolarHBondContact O-N 3.09Å; A898-A900 VanDerWaalsContact C-N 3.26Å; A898-A900 PolarHBondContact O-N 2.95Å; A900-F905 HydrophobicContact CB-CE2 4.24Å; A900-F905 HydrophobicContact CB-CZ 4.13Å
901R51.3Low59.5Low218 Ų218104.6 Ų104.682%0.82357%0.565SS**THydrogen-bonded Turntrans-96.6-12.4176-64.5173.3179.3-96.4-1.3113.8A897 A898 K899A897-R901 WeakPolarHBondContact O-CD 3.3Å; A897-R901 PolarHBondContact O-NE 3.13Å; A898-R901 WeakPolarHBondContact O-CB 3.32Å; A898-R901 PolarHBondContact O-N 3.07Å; K899-R901 PolarHBondContact O-N 2.86Å
902E52.2Low61.5Low151 Ų151102.1 Ų102.171%0.70655%0.554SS**THydrogen-bonded Turntrans-100.60.7179.2-70.1-177.7140.200113.2K899 Q904K899-E902 PolarHBondContact O-N 3.36Å; K899-E902 VanDerWaalsContact O-N 3.11Å; E902-Q904 VanDerWaalsContact C-N 3.29Å; E902-Q904 PolarHBondContact O-N 3.12Å
903G51.8Low63.6Low58 Ų58103.3 Ų103.360%0.59856%0.56SS**THydrogen-bonded Turntrans75.1816600000116.1F905G903-F905 VanDerWaalsContact C-N 3.26Å; G903-F905 PolarHBondContact O-N 3.41Å
904Q55.4Low65.3Low168 Ų168101.5 Ų101.579%0.78554%0.542SS*.  trans-79.568.4178.4-63-177.84.700112E902E902-Q904 VanDerWaalsContact C-N 3.29Å; E902-Q904 PolarHBondContact O-N 3.12Å
905F60Low66.8Low107 Ų107104.8 Ų104.847%0.46955%0.553SS.*  trans-112.4137.4163.3-66.6-66.7000109.2A900 G903A900-F905 HydrophobicContact CB-CE2 4.24Å; A900-F905 HydrophobicContact CB-CZ 4.13Å; G903-F905 VanDerWaalsContact C-N 3.26Å; G903-F905 PolarHBondContact O-N 3.41Å
906E73.6Confident68.1Low103 Ų103103.3 Ų103.348%0.48156%0.559SS.*PPolyproline II helixtrans-82.9143.9171.7-66172.5153.200108.9R956 Y957E906-R956 PolarHBondContact N-O 3.02Å; E906-Y957 HydrophobicContact CB-CD1 4.03Å; E906-Y957 HydrophobicContact CB-CE1 3.95Å; E906-Y957 WeakPolarHBondContact O-CD1 3.45Å
907D75.1Confident69.6Low156 Ų15699.8 Ų99.883%0.83454%0.542SS*.PPolyproline II helixtrans-66.3136.4172.1-81.2-49.2000110.1
908P76.7Confident71.3Confident70 Ų70103.3 Ų103.346%0.45555%0.553SS.*PPolyproline II helixtrans-66.9141.7-179.427.6-34.3000111.1Y957P908-Y957 HydrophobicContact CB-CD1 4.44Å; P908-Y957 HydrophobicContact CB-CG 4.34Å
909P84.2Confident73.1Confident37 Ų37103 Ų10324%0.2455%0.548CS..PPolyproline II helixtrans-65.3137.4-174.625-34.2000112.3W911P909-W911 PolarHBondContact O-N 3.12Å
910D85.6Confident75.2Confident158 Ų15895.9 Ų95.985%0.84552%0.517SS*.PPolyproline II helixtrans-51.5133.7178.1-86.8-43.6000112.3G940D910-G940 WeakPolarHBondContact O-CA 3.38Å
911W91.2Very high77.2Confident124 Ų12496.7 Ų96.747%0.4751%0.513SS..PPolyproline II helixtrans-79.2129.3178.5-73.817.8000110.3P909 P913 H935 R937P909-W911 PolarHBondContact O-N 3.12Å; W911-P913 WeakPolarHBondContact O-CD 3.39Å; W911-H935 HydrophobicContact CD2-CB 3.81Å; W911-H935 AromaticContact CD2-CD2 3.9Å; W911-H935 AromaticContact CD2-CG 3.78Å; W911-H935 HydrophobicContact CE3-CB 3.84Å; W911-H935 AromaticContact CE3-CD2 3.76Å; W911-H935 AromaticContact CE3-CG 3.46Å; W911-H935 VanDerWaalsContact CE3-CG 3.46Å; W911-H935 AromaticContact CE3-ND1 3.71Å; W911-H935 HydrophobicContact CG-CB 4.31Å; W911-H935 AromaticContact CG-CD2 3.89Å; W911-H935 HydrophobicContact CZ2-CB 4.49Å; W911-H935 HydrophobicContact CZ3-CB 4.21Å; W911-R937 HydrophobicContact CZ2-CG 4.24Å
912V87.4Confident79.1Confident48 Ų4888.8 Ų88.829%0.29149%0.494SS..PPolyproline II helixtrans-59.1128.8173.3177.60000108.4A916 H935 G940 K941 I942V912-A916 HydrophobicContact CG1-CB 4.15Å; V912-H935 PolarHBondContact O-NE2 3.34Å; V912-H935 VanDerWaalsContact O-NE2 3.09Å; V912-G940 PolarHBondContact N-O 3.5Å; V912-K941 HydrophobicContact CG2-CG 4.38Å; V912-I942 HydrophobicContact CB-CD1 4.37Å; V912-I942 HydrophobicContact CB-CG1 4.3Å; V912-I942 HydrophobicContact CG1-CD1 4.33Å; V912-I942 WeakPolarHBondContact O-CD1 3.33Å
913P86.6Confident80.9Confident88 Ų8884.8 Ų84.857%0.57148%0.482SS*.PPolyproline II helixtrans-61.1139.7176.3-24.734.7000111.5W911 D915 A916W911-P913 WeakPolarHBondContact O-CD 3.39Å; P913-D915 PolarHBondContact O-N 3.41Å; P913-A916 WeakPolarHBondContact O-CB 3.45Å; P913-A916 PolarHBondContact O-N 2.84Å
914D82.1Confident82.9Confident69 Ų6988.8 Ų88.837%0.36948%0.483SS..G310 helixtrans-54.8-40.4-177.4-89.524.8000112.5A916 C917 K933 H935 I942D914-A916 PolarHBondContact O-N 2.9Å; D914-C917 PolarHBondContact O-N 3.28Å; D914-C917 VanDerWaalsContact O-N 3.12Å; D914-K933 HydrophobicContact CB-CD 4Å; D914-K933 PolarHBondContact O-NZ 3.45Å; D914-K933 WeakPolarHBondContact OD2-CD 3.38Å; D914-H935 IonicContact OD1-CE1 2.65Å; D914-H935 PolarHBondContact OD1-CE1 2.98Å; D914-H935 IonicContact OD1-NE2 2.73Å; D914-H935 PolarHBondContact OD1-NE2 3.04Å; D914-I942 WeakPolarHBondContact OD1-CD1 3.44Å
915D81.9Confident84.6Confident151 Ų15181.9 Ų81.981%0.80746%0.455SS*.G310 helixtrans-66.4-19-178.8-58.2-38.3000113.7P913 C917P913-D915 PolarHBondContact O-N 3.41Å; D915-C917 VanDerWaalsContact C-N 3.3Å
916A77.4Confident86Confident77 Ų7780.7 Ų80.764%0.63646%0.458SS*.G310 helixtrans-82.5-4.4176.100000113.3V912 P913 D914V912-A916 HydrophobicContact CG1-CB 4.15Å; P913-A916 WeakPolarHBondContact O-CB 3.45Å; P913-A916 PolarHBondContact O-N 2.84Å; D914-A916 PolarHBondContact O-N 2.9Å
917C82.3Confident86.9Confident7 Ų777 Ų775%0.04744%0.44CS..  trans-137.198.8-171.6-157.60000112.6D914 D915 S919 F927 K933 I942D914-C917 PolarHBondContact O-N 3.28Å; D914-C917 VanDerWaalsContact O-N 3.12Å; D915-C917 VanDerWaalsContact C-N 3.3Å; C917-S919 PolarHBondContact SG-O 2.85Å; C917-F927 WeakPolarHBondContact O-CD2 3.43Å; C917-K933 WeakPolarHBondContact O-CE 3.43Å; C917-K933 PolarHBondContact O-NZ 2.99Å; C917-I942 HydrophobicContact CB-CB 4.26Å; C917-I942 HydrophobicContact CB-CD1 3.77Å; C917-I942 HydrophobicContact CB-CG1 4.45Å
918N87.9Confident87.5Confident124 Ų12473.2 Ų73.266%0.66342%0.423SS*.SBendtrans-91.2-9.5-179.3-70.7-22.7000114.2P926 F927N918-P926 WeakPolarHBondContact O-CA 3.27Å; N918-F927 PolarHBondContact O-N 3.08Å
919S91.5Very high87.7Confident45 Ų4576.1 Ų76.132%0.31544%0.439SS..BIsolated β-bridgetrans-143.6156.7177.759.30000112.6C917 I921 K924 A925 F927C917-S919 PolarHBondContact SG-O 2.85Å; S919-I921 PolarHBondContact O-N 2.97Å; S919-K924 VanDerWaalsContact CB-O 3.23Å; S919-K924 WeakPolarHBondContact CB-O 3.44Å; S919-A925 WeakPolarHBondContact CA-O 3.44Å; S919-A925 WeakPolarHBondContact CB-O 3.23Å; S919-F927 VanDerWaalsContact O-CE2 3.23Å; S919-F927 WeakPolarHBondContact O-CE2 3.38Å
920C94.3Very high87.6Confident0 Ų082 Ų820%047%0.467CS..  trans-60.4124.7-178.5-178.70000111.4A922 K924 A925 F927 C944C920-A922 PolarHBondContact O-N 2.95Å; C920-A922 VanDerWaalsContact O-N 3.13Å; C920-K924 WeakPolarHBondContact O-CA 3.44Å; C920-K924 PolarHBondContact O-N 3.31Å; C920-A925 PolarHBondContact N-O 3.37Å; C920-F927 HydrophobicContact CB-CE1 4.37Å; C920-F927 HydrophobicContact CB-CZ 4.11Å; C920-C944 HydrophobicContact CB-CB 4.31Å; C920-C944 PolarHBondContact SG-N 3.08Å
921I92.6Very high87.7Confident71 Ų7179.2 Ų79.236%0.36444%0.444SS..THydrogen-bonded Turntrans-56.2-34.6-177-70.6-68.6000112.7S919 K924 K941 I942 F943S919-I921 PolarHBondContact O-N 2.97Å; I921-K924 PolarHBondContact O-NZ 2.94Å; I921-K941 HydrophobicContact CG1-CB 4.37Å; I921-K941 HydrophobicContact CG2-CB 4.49Å; I921-K941 HydrophobicContact CG2-CD 4.44Å; I921-I942 WeakPolarHBondContact CB-O 3.38Å; I921-I942 VanDerWaalsContact CG1-O 3.22Å; I921-I942 WeakPolarHBondContact CG1-O 3.39Å; I921-I942 PolarHBondContact N-O 3.29Å; I921-F943 HydrophobicContact CB-CD1 4.28Å; I921-F943 HydrophobicContact CB-CE1 3.86Å; I921-F943 HydrophobicContact CB-CZ 4.2Å; I921-F943 HydrophobicContact CG2-CE1 3.94Å; I921-F943 HydrophobicContact CG2-CZ 4.08Å
922A92.3Very high87.6Confident52 Ų5281.8 Ų81.843%0.4345%0.454SS..THydrogen-bonded Turntrans-77.9-81.9173.200000111.8C920 K924 F943 C947C920-A922 PolarHBondContact O-N 2.95Å; C920-A922 VanDerWaalsContact O-N 3.13Å; A922-K924 PolarHBondContact O-N 3.15Å; A922-K924 VanDerWaalsContact O-N 3.1Å; A922-F943 HydrophobicContact CB-CD1 3.93Å; A922-F943 HydrophobicContact CB-CE1 4.01Å; A922-C947 HydrophobicContact CB-CB 3.97Å
923C90Very high87.8Confident67 Ų6782.1 Ų82.145%0.45345%0.452SS..THydrogen-bonded Turntrans-77.27.3-169.167.50000116.2A925C923-A925 PolarHBondContact O-N 3.44Å
924K93.8Very high88.2Confident143 Ų14380.4 Ų80.462%0.62244%0.436SS*.  trans54.4-0.1178.5-47-53.4-177.7-172.50117S919 C920 I921 A922S919-K924 VanDerWaalsContact CB-O 3.23Å; S919-K924 WeakPolarHBondContact CB-O 3.44Å; C920-K924 WeakPolarHBondContact O-CA 3.44Å; C920-K924 PolarHBondContact O-N 3.31Å; I921-K924 PolarHBondContact O-NZ 2.94Å; A922-K924 PolarHBondContact O-N 3.15Å; A922-K924 VanDerWaalsContact O-N 3.1Å
925A89.7Confident88.8Confident23 Ų2378.3 Ų78.319%0.1942%0.424CS..PPolyproline II helixtrans-65.3135.117800000111.1S919 C920 C923S919-A925 WeakPolarHBondContact CA-O 3.44Å; S919-A925 WeakPolarHBondContact CB-O 3.23Å; C920-A925 PolarHBondContact N-O 3.37Å; C923-A925 PolarHBondContact O-N 3.44Å
926P90.3Very high89.4Confident81 Ų8171.1 Ų71.153%0.52639%0.385SS..BIsolated β-bridgetrans-63.5144.8-179.325.4-34.1000111.9N918 R931N918-P926 WeakPolarHBondContact O-CA 3.27Å; P926-R931 WeakPolarHBondContact O-CD 3.32Å; P926-R931 PolarHBondContact O-NH1 3.27Å
927F91.8Very high90.1Very high27 Ų2770.8 Ų70.812%0.11837%0.367CS..PPolyproline II helixtrans-75.1143.3171.5-67.8-64.7000110.4C917 N918 S919 C920 R931 R932 K933 I942 F943 C944C917-F927 WeakPolarHBondContact O-CD2 3.43Å; N918-F927 PolarHBondContact O-N 3.08Å; S919-F927 VanDerWaalsContact O-CE2 3.23Å; S919-F927 WeakPolarHBondContact O-CE2 3.38Å; C920-F927 HydrophobicContact CB-CE1 4.37Å; C920-F927 HydrophobicContact CB-CZ 4.11Å; F927-R931 WeakPolarHBondContact CA-O 3.35Å; F927-R931 HydrophobicContact CD1-CG 4.26Å; F927-R931 WeakPolarHBondContact CD1-O 3.46Å; F927-R932 WeakPolarHBondContact CE1-O 3.46Å; F927-K933 HydrophobicContact CB-CG 4.14Å; F927-K933 HydrophobicContact CD1-CG 3.77Å; F927-K933 HydrophobicContact CD2-CD 4.2Å; F927-K933 HydrophobicContact CD2-CG 3.67Å; F927-K933 HydrophobicContact CE1-CB 4.49Å; F927-K933 HydrophobicContact CE1-CG 4.04Å; F927-K933 HydrophobicContact CE2-CG 3.93Å; F927-K933 HydrophobicContact CG-CD 4.43Å; F927-K933 HydrophobicContact CG-CG 3.6Å; F927-K933 HydrophobicContact CZ-CG 4.13Å; F927-I942 HydrophobicContact CE1-CG2 4.43Å; F927-I942 HydrophobicContact CE2-CG2 3.8Å; F927-I942 HydrophobicContact CZ-CG2 3.58Å; F927-F943 WeakPolarHBondContact CE1-O 3.47Å; F927-C944 HydrophobicContact CE1-CB 4.1Å
928T87.4Confident90.4Very high75 Ų7570.9 Ų70.946%0.4637%0.368SS..  trans-144.2175.4-178.270.30000109.9I930 R931T928-I930 PolarHBondContact O-N 3.21Å; T928-I930 VanDerWaalsContact O-N 3.09Å; T928-I930 PolarHBondContact OG1-N 3.39Å; T928-R931 PolarHBondContact N-O 3.31Å; T928-R931 CarbonylContact O-C 3.17Å; T928-R931 PolarHBondContact O-N 2.77Å; T928-R931 PolarHBondContact OG1-N 2.99Å
929V82.1Confident90.6Very high132 Ų13266.5 Ų66.580%0.835%0.347SS*.SBendtrans-54-31.2175.1-174.80000112.1
930I82.3Confident90.6Very high161 Ų16164.4 Ų64.483%0.82633%0.332SS*.SBendtrans-88.6-46.9176.9-55.2175.7000111T928 R932T928-I930 PolarHBondContact O-N 3.21Å; T928-I930 VanDerWaalsContact O-N 3.09Å; T928-I930 PolarHBondContact OG1-N 3.39Å; I930-R932 PolarHBondContact O-N 3.06Å
931R86.3Confident90.6Very high99 Ų9969.5 Ų69.537%0.37436%0.355SS..SBendtrans-88.286.1175.9-171.3-179.7-67.4111.2-0.8110.3P926 F927 T928 C944P926-R931 WeakPolarHBondContact O-CD 3.32Å; P926-R931 PolarHBondContact O-NH1 3.27Å; F927-R931 WeakPolarHBondContact CA-O 3.35Å; F927-R931 HydrophobicContact CD1-CG 4.26Å; F927-R931 WeakPolarHBondContact CD1-O 3.46Å; T928-R931 PolarHBondContact N-O 3.31Å; T928-R931 CarbonylContact O-C 3.17Å; T928-R931 PolarHBondContact O-N 2.77Å; T928-R931 PolarHBondContact OG1-N 2.99Å; R931-C944 HydrophobicContact CG-CB 3.7Å
932R90.3Very high90.8Very high178 Ų17866.1 Ų66.167%0.67234%0.337SS*.  trans-72.4160.6179.8-61.1-175.7-177.61791.4113.4F927 I930F927-R932 WeakPolarHBondContact CE1-O 3.46Å; I930-R932 PolarHBondContact O-N 3.06Å
933K91.5Very high91Very high55 Ų5564.2 Ų64.224%0.23932%0.319CS..  trans-84.4141.1177.5-67.7179.3-175.7-1760111.1D914 C917 F927 I942D914-K933 HydrophobicContact CB-CD 4Å; D914-K933 PolarHBondContact O-NZ 3.45Å; D914-K933 WeakPolarHBondContact OD2-CD 3.38Å; C917-K933 WeakPolarHBondContact O-CE 3.43Å; C917-K933 PolarHBondContact O-NZ 2.99Å; F927-K933 HydrophobicContact CB-CG 4.14Å; F927-K933 HydrophobicContact CD1-CG 3.77Å; F927-K933 HydrophobicContact CD2-CD 4.2Å; F927-K933 HydrophobicContact CD2-CG 3.67Å; F927-K933 HydrophobicContact CE1-CB 4.49Å; F927-K933 HydrophobicContact CE1-CG 4.04Å; F927-K933 HydrophobicContact CE2-CG 3.93Å; F927-K933 HydrophobicContact CG-CD 4.43Å; F927-K933 HydrophobicContact CG-CG 3.6Å; F927-K933 HydrophobicContact CZ-CG 4.13Å; K933-I942 HydrophobicContact CB-CG2 3.63Å; K933-I942 HydrophobicContact CD-CG2 4.41Å; K933-I942 HydrophobicContact CG-CG2 3.91Å
934H94.3Very high91.2Very high51 Ų5161.3 Ų61.324%0.23630%0.3CS..EExtended strand (participates in β ladder)trans-145.9123.7176.7-54.1-75.6000112.1F943 S945H934-F943 PolarHBondContact N-O 3.49Å; H934-F943 PolarHBondContact O-N 3.02Å; H934-S945 PolarHBondContact CD2-N 2.96Å
935H94.1Very high91.1Very high26 Ų2657.7 Ų57.712%0.1229%0.292CS..EExtended strand (participates in β ladder)trans-77.3138.3176.1-54.173.6000113.1W911 V912 D914 R937 K941W911-H935 HydrophobicContact CD2-CB 3.81Å; W911-H935 AromaticContact CD2-CD2 3.9Å; W911-H935 AromaticContact CD2-CG 3.78Å; W911-H935 HydrophobicContact CE3-CB 3.84Å; W911-H935 AromaticContact CE3-CD2 3.76Å; W911-H935 AromaticContact CE3-CG 3.46Å; W911-H935 VanDerWaalsContact CE3-CG 3.46Å; W911-H935 AromaticContact CE3-ND1 3.71Å; W911-H935 HydrophobicContact CG-CB 4.31Å; W911-H935 AromaticContact CG-CD2 3.89Å; W911-H935 HydrophobicContact CZ2-CB 4.49Å; W911-H935 HydrophobicContact CZ3-CB 4.21Å; V912-H935 PolarHBondContact O-NE2 3.34Å; V912-H935 VanDerWaalsContact O-NE2 3.09Å; D914-H935 IonicContact OD1-CE1 2.65Å; D914-H935 PolarHBondContact OD1-CE1 2.98Å; D914-H935 IonicContact OD1-NE2 2.73Å; D914-H935 PolarHBondContact OD1-NE2 3.04Å; H935-R937 PolarHBondContact O-NH1 3.3Å; H935-K941 WeakPolarHBondContact CA-O 3.44Å
936C94.6Very high91.3Very high0 Ų066.9 Ų66.90%032%0.322CS..  trans-77.1124.51641770000110S938 C939 G940 K941 F943 C966C936-S938 PolarHBondContact O-N 3.42Å; C936-S938 PolarHBondContact SG-N 2.87Å; C936-S938 VanDerWaalsContact SG-N 3.42Å; C936-C939 VanDerWaalsContact CB-SG 3.57Å; C936-C939 PolarHBondContact O-N 3.17Å; C936-G940 PolarHBondContact O-N 3.29Å; C936-K941 PolarHBondContact N-O 2.77Å; C936-F943 HydrophobicContact CB-CD2 4.03Å; C936-F943 HydrophobicContact CB-CE2 3.74Å; C936-C966 HydrophobicContact CB-CB 4.15Å; C936-C966 PolarHBondContact SG-N 3.17Å
937R92.4Very high91.4Very high69 Ų6964 Ų6426%0.2630%0.304SS..THydrogen-bonded Turntrans-69.2-15.6179.5-80.473.7175.4144.83.7113.8W911 H935 L954 V963 R964W911-R937 HydrophobicContact CZ2-CG 4.24Å; H935-R937 PolarHBondContact O-NH1 3.3Å; R937-L954 HydrophobicContact CB-CD1 3.81Å; R937-V963 HydrophobicContact CB-CB 4.14Å; R937-V963 HydrophobicContact CB-CG2 3.78Å; R937-V963 HydrophobicContact CG-CB 3.95Å; R937-V963 HydrophobicContact CG-CG2 4.13Å; R937-R964 WeakPolarHBondContact CD-O 3.47Å; R937-R964 PolarHBondContact N-O 3.19Å
938S90.1Very high91.5Very high9 Ų962.8 Ų62.86%0.06330%0.298CS..THydrogen-bonded Turntrans-96.9-9.2-179.8-158.40000114.7C936 H973C936-S938 PolarHBondContact O-N 3.42Å; C936-S938 PolarHBondContact SG-N 2.87Å; C936-S938 VanDerWaalsContact SG-N 3.42Å; S938-H973 PolarHBondContact OG-CD2 3.3Å; S938-H973 VanDerWaalsContact OG-CD2 3.22Å
939C91.5Very high91.7Very high33 Ų3362.2 Ų62.222%0.22330%0.297CS..THydrogen-bonded Turntrans-152.110.6-177.472.10000115.8C936 K941C936-C939 VanDerWaalsContact CB-SG 3.57Å; C936-C939 PolarHBondContact O-N 3.17Å; C939-K941 WeakPolarHBondContact O-CG 3.47Å; C939-K941 PolarHBondContact O-N 2.99Å
940G91.4Very high92Very high0 Ų058.7 Ų58.70%027%0.272CS..  trans68.4-19.1173.200000117D910 V912 C936D910-G940 WeakPolarHBondContact O-CA 3.38Å; V912-G940 PolarHBondContact N-O 3.5Å; C936-G940 PolarHBondContact O-N 3.29Å
941K94.2Very high92.4Very high108 Ų10853.8 Ų53.847%0.4725%0.252SS..  trans-72154.4-175-69162.5-171.7174.80112.7V912 I921 H935 C936 C939 F943V912-K941 HydrophobicContact CG2-CG 4.38Å; I921-K941 HydrophobicContact CG1-CB 4.37Å; I921-K941 HydrophobicContact CG2-CB 4.49Å; I921-K941 HydrophobicContact CG2-CD 4.44Å; H935-K941 WeakPolarHBondContact CA-O 3.44Å; C936-K941 PolarHBondContact N-O 2.77Å; C939-K941 WeakPolarHBondContact O-CG 3.47Å; C939-K941 PolarHBondContact O-N 2.99Å; K941-F943 HydrophobicContact CB-CE2 3.6Å; K941-F943 HydrophobicContact CB-CZ 3.84Å; K941-F943 VanDerWaalsContact O-CD2 3.24Å; K941-F943 WeakPolarHBondContact O-CD2 3.22Å; K941-F943 VanDerWaalsContact O-CE2 3.24Å; K941-F943 WeakPolarHBondContact O-CE2 3.33Å
942I95.7Very high92.4Very high0 Ų049.1 Ų49.10%024%0.235CC..EExtended strand (participates in β ladder)trans-100.2132.3-174.6-56.8174.7000111.9V912 D914 C917 I921 F927 K933V912-I942 HydrophobicContact CB-CD1 4.37Å; V912-I942 HydrophobicContact CB-CG1 4.3Å; V912-I942 HydrophobicContact CG1-CD1 4.33Å; V912-I942 WeakPolarHBondContact O-CD1 3.33Å; D914-I942 WeakPolarHBondContact OD1-CD1 3.44Å; C917-I942 HydrophobicContact CB-CB 4.26Å; C917-I942 HydrophobicContact CB-CD1 3.77Å; C917-I942 HydrophobicContact CB-CG1 4.45Å; I921-I942 WeakPolarHBondContact CB-O 3.38Å; I921-I942 VanDerWaalsContact CG1-O 3.22Å; I921-I942 WeakPolarHBondContact CG1-O 3.39Å; I921-I942 PolarHBondContact N-O 3.29Å; F927-I942 HydrophobicContact CE1-CG2 4.43Å; F927-I942 HydrophobicContact CE2-CG2 3.8Å; F927-I942 HydrophobicContact CZ-CG2 3.58Å; K933-I942 HydrophobicContact CB-CG2 3.63Å; K933-I942 HydrophobicContact CD-CG2 4.41Å; K933-I942 HydrophobicContact CG-CG2 3.91Å
943F96.4Very high92.1Very high12 Ų1243.4 Ų43.45%0.05322%0.22CC..EExtended strand (participates in β ladder)trans-132165.3-177.4-59.2-87.9000111.3I921 A922 F927 H934 C936 K941 C947 C966I921-F943 HydrophobicContact CB-CD1 4.28Å; I921-F943 HydrophobicContact CB-CE1 3.86Å; I921-F943 HydrophobicContact CB-CZ 4.2Å; I921-F943 HydrophobicContact CG2-CE1 3.94Å; I921-F943 HydrophobicContact CG2-CZ 4.08Å; A922-F943 HydrophobicContact CB-CD1 3.93Å; A922-F943 HydrophobicContact CB-CE1 4.01Å; F927-F943 WeakPolarHBondContact CE1-O 3.47Å; H934-F943 PolarHBondContact N-O 3.49Å; H934-F943 PolarHBondContact O-N 3.02Å; C936-F943 HydrophobicContact CB-CD2 4.03Å; C936-F943 HydrophobicContact CB-CE2 3.74Å; K941-F943 HydrophobicContact CB-CE2 3.6Å; K941-F943 HydrophobicContact CB-CZ 3.84Å; K941-F943 VanDerWaalsContact O-CD2 3.24Å; K941-F943 WeakPolarHBondContact O-CD2 3.22Å; K941-F943 VanDerWaalsContact O-CE2 3.24Å; K941-F943 WeakPolarHBondContact O-CE2 3.33Å; F943-C947 HydrophobicContact CB-CB 4.2Å; F943-C947 HydrophobicContact CD1-CB 4.17Å; F943-C966 HydrophobicContact CD1-CB 3.92Å; F943-C966 HydrophobicContact CD2-CB 3.63Å; F943-C966 HydrophobicContact CE1-CB 3.8Å; F943-C966 HydrophobicContact CE2-CB 3.49Å; F943-C966 VanDerWaalsContact CE2-CB 3.49Å; F943-C966 HydrophobicContact CG-CB 3.85Å; F943-C966 HydrophobicContact CZ-CB 3.59Å
944C95.6Very high91.7Very high6 Ų641.3 Ų41.34%0.04121%0.212CC..  trans-85.1167.8165.6750000110.8C920 F927 R931 R946 C947 S948C920-C944 HydrophobicContact CB-CB 4.31Å; C920-C944 PolarHBondContact SG-N 3.08Å; F927-C944 HydrophobicContact CE1-CB 4.1Å; R931-C944 HydrophobicContact CG-CB 3.7Å; C944-R946 VanDerWaalsContact C-N 3.26Å; C944-R946 PolarHBondContact O-N 2.99Å; C944-C947 PolarHBondContact O-N 3.24Å; C944-C947 VanDerWaalsContact O-N 3.09Å; C944-S948 PolarHBondContact O-N 2.84Å; C944-S948 VanDerWaalsContact O-N 3.16Å; C944-S948 PolarHBondContact O-OG 3.48Å
945S91.7Very high91Very high66 Ų6642.3 Ų42.346%0.46222%0.223SC..G310 helixtrans-56.5-35.6-176.453.90000113.9H934 S948 S949H934-S945 PolarHBondContact CD2-N 2.96Å; S945-S948 CarbonylContact O-C 3.38Å; S945-S948 PolarHBondContact O-N 3.44Å; S945-S949 WeakPolarHBondContact O-CA 3.38Å; S945-S949 PolarHBondContact O-N 3.33Å
946R93.2Very high90.1Very high217 Ų21749 Ų4982%0.81925%0.247SC*.G310 helixtrans-70.4-36.2176.7-68.1-172.8179.3-177.4-1.7113.5C944 S948 S949C944-R946 VanDerWaalsContact C-N 3.26Å; C944-R946 PolarHBondContact O-N 2.99Å; R946-S948 VanDerWaalsContact C-N 3.27Å; R946-S948 PolarHBondContact O-N 3.34Å; R946-S949 PolarHBondContact O-OG 3.06Å
947C92.3Very high89.4Confident21 Ų2151.7 Ų51.714%0.14226%0.258CS..G310 helixtrans-87.84.6179-58.60000113.2A922 F943 C944 C966 T967A922-C947 HydrophobicContact CB-CB 3.97Å; F943-C947 HydrophobicContact CB-CB 4.2Å; F943-C947 HydrophobicContact CD1-CB 4.17Å; C944-C947 PolarHBondContact O-N 3.24Å; C944-C947 VanDerWaalsContact O-N 3.09Å; C947-C966 VanDerWaalsContact O-CA 3.26Å; C947-C966 WeakPolarHBondContact O-CA 3.49Å; C947-C966 WeakPolarHBondContact O-CB 3.46Å; C947-T967 PolarHBondContact O-N 3.28Å; C947-T967 VanDerWaalsContact O-N 3.15Å
948S94.5Very high88.7Confident0 Ų050.1 Ų50.10%026%0.263CS..G310 helixtrans-145.337177.358.70000111.4C944 S945 R946 H950 R964 V965C944-S948 PolarHBondContact O-N 2.84Å; C944-S948 VanDerWaalsContact O-N 3.16Å; C944-S948 PolarHBondContact O-OG 3.48Å; S945-S948 CarbonylContact O-C 3.38Å; S945-S948 PolarHBondContact O-N 3.44Å; R946-S948 VanDerWaalsContact C-N 3.27Å; R946-S948 PolarHBondContact O-N 3.34Å; S948-H950 VanDerWaalsContact C-N 3.3Å; S948-H950 PolarHBondContact O-N 2.87Å; S948-R964 WeakPolarHBondContact O-CD 3.43Å; S948-R964 VanDerWaalsContact O-CG 3.26Å; S948-R964 WeakPolarHBondContact O-CG 3.23Å; S948-R964 PolarHBondContact O-NH1 3.24Å; S948-V965 CarbonylContact C-O 3.55Å; S948-V965 VanDerWaalsContact CA-O 3.28Å; S948-V965 WeakPolarHBondContact CA-O 3.29Å
949S91.2Very high88.2Confident64 Ų6452.2 Ų52.245%0.44827%0.272SS..  trans-61.6-37.2178.336.60000112.4S945 R946S945-S949 WeakPolarHBondContact O-CA 3.38Å; S945-S949 PolarHBondContact O-N 3.33Å; R946-S949 PolarHBondContact O-OG 3.06Å
950H88.8Confident87.5Confident58 Ų5854.9 Ų54.927%0.26929%0.287SS..  trans-79156.9-170.6-47.2-92.9000113.2S948 V965 T967 Y970S948-H950 VanDerWaalsContact C-N 3.3Å; S948-H950 PolarHBondContact O-N 2.87Å; H950-V965 HydrophobicContact CB-CG2 4.25Å; H950-V965 PolarHBondContact O-N 2.85Å; H950-V965 VanDerWaalsContact O-N 3.07Å; H950-T967 PolarHBondContact CD2-OG1 3.15Å; H950-T967 PolarHBondContact NE2-OG1 3.27Å; H950-Y970 HydrophobicContact CB-CD1 4.07Å; H950-Y970 HydrophobicContact CB-CD2 3.41Å; H950-Y970 VanDerWaalsContact CB-CD2 3.41Å; H950-Y970 HydrophobicContact CB-CE1 4.45Å; H950-Y970 HydrophobicContact CB-CE2 3.84Å; H950-Y970 HydrophobicContact CB-CG 3.53Å; H950-Y970 AromaticContact CG-CD1 3.76Å; H950-Y970 AromaticContact CG-CG 3.69Å; H950-Y970 AromaticContact ND1-CD1 3.54Å; H950-Y970 AromaticContact ND1-CE1 3.6Å; H950-Y970 AromaticContact ND1-CG 3.96Å
951S90.4Very high86.8Confident58 Ų5862.6 Ų62.641%0.40632%0.32SS..EExtended strand (participates in β ladder)trans-139.1138.5171.8-63.40000109.9V963S951-V963 CarbonylContact C-O 3.54Å; S951-V963 VanDerWaalsContact CA-O 3.22Å; S951-V963 WeakPolarHBondContact CA-O 3.23Å
952A85.3Confident86.4Confident1 Ų161.8 Ų61.81%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-148.2151.6-175.400000111.1P962 V963 V965 Y970 V974A952-P962 WeakPolarHBondContact O-CA 3.49Å; A952-V963 PolarHBondContact N-O 3.07Å; A952-V963 WeakPolarHBondContact O-CG2 3.48Å; A952-V963 PolarHBondContact O-N 2.74Å; A952-V965 HydrophobicContact CB-CG2 4.21Å; A952-Y970 HydrophobicContact CB-CD2 4.06Å; A952-Y970 HydrophobicContact CB-CE2 4.17Å; A952-V974 HydrophobicContact CB-CB 4.25Å; A952-V974 HydrophobicContact CB-CG1 3.82Å; A952-V974 HydrophobicContact CB-CG2 3.32Å
953P84.8Confident86.1Confident57 Ų5763.2 Ų63.237%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-66.9146.6172.130.7-34.4000109.5
954L83.8Confident86Confident11 Ų1166.5 Ų66.56%0.05835%0.347CS..EExtended strand (participates in β ladder)trans-125.777.5174.6-59.5173.1000109.2R937 R956 Y957 Q959 V963 V965R937-L954 HydrophobicContact CB-CD1 3.81Å; L954-R956 VanDerWaalsContact C-N 3.28Å; L954-R956 PolarHBondContact O-N 3.04Å; L954-Y957 HydrophobicContact CB-CD2 3.98Å; L954-Y957 HydrophobicContact CD1-CD2 4.12Å; L954-Y957 PolarHBondContact O-N 3.18Å; L954-Y957 VanDerWaalsContact O-N 3.16Å; L954-Q959 HydrophobicContact CB-CB 4.2Å; L954-Q959 PolarHBondContact N-O 3.05Å; L954-Q959 PolarHBondContact O-N 3.31Å; L954-V963 HydrophobicContact CD1-CG2 3.71Å; L954-V963 HydrophobicContact CG-CG2 3.96Å; L954-V965 HydrophobicContact CD1-CG1 4.19Å; L954-V965 HydrophobicContact CD2-CG1 4.3Å
955P78.1Confident85.9Confident73 Ų7366.2 Ų66.247%0.47435%0.345SS..G310 helixtrans-61.3-31.6-172.6-24.935.8000114.1Y957 G958P955-Y957 PolarHBondContact O-N 2.71Å; P955-G958 PolarHBondContact O-N 2.66Å
956R76.1Confident86.1Confident165 Ų16563.2 Ų63.262%0.62332%0.324SS*.G310 helixtrans-58.7-35.3177.4-57.9-170.3-168.6-170.66.2112.7E906 L954E906-R956 PolarHBondContact N-O 3.02Å; L954-R956 VanDerWaalsContact C-N 3.28Å; L954-R956 PolarHBondContact O-N 3.04Å
957Y80.4Confident85.8Confident57 Ų5755.1 Ų55.122%0.22430%0.298CS..G310 helixtrans-96.320.8176-51.1-48.8000113E906 P908 L954 P955 Q959E906-Y957 HydrophobicContact CB-CD1 4.03Å; E906-Y957 HydrophobicContact CB-CE1 3.95Å; E906-Y957 WeakPolarHBondContact O-CD1 3.45Å; P908-Y957 HydrophobicContact CB-CD1 4.44Å; P908-Y957 HydrophobicContact CB-CG 4.34Å; L954-Y957 HydrophobicContact CB-CD2 3.98Å; L954-Y957 HydrophobicContact CD1-CD2 4.12Å; L954-Y957 PolarHBondContact O-N 3.18Å; L954-Y957 VanDerWaalsContact O-N 3.16Å; P955-Y957 PolarHBondContact O-N 2.71Å; Y957-Q959 PolarHBondContact O-N 3.23Å
958G76.9Confident85.6Confident36 Ų3659.7 Ų59.737%0.37132%0.318SS..THydrogen-bonded Turntrans66.61.4-177.600000115.8P955 V960P955-G958 PolarHBondContact O-N 2.66Å; G958-V960 VanDerWaalsContact C-N 3.32Å; G958-V960 PolarHBondContact O-N 3.45Å
959Q80.4Confident85.2Confident54 Ų5459.9 Ų59.925%0.25232%0.319SS..EExtended strand (participates in β ladder)trans-86.969.7-173.9-76.2170.279.600110.9L954 Y957 K961 V963L954-Q959 HydrophobicContact CB-CB 4.2Å; L954-Q959 PolarHBondContact N-O 3.05Å; L954-Q959 PolarHBondContact O-N 3.31Å; Y957-Q959 PolarHBondContact O-N 3.23Å; Q959-K961 PolarHBondContact O-N 3.02Å; Q959-V963 HydrophobicContact CB-CG2 4.28Å
960V76.8Confident85Confident88 Ų8860.6 Ų60.653%0.53331%0.312SS..EExtended strand (participates in β ladder)trans-66.5-10.9-178.3-600000115L896 G958L896-V960 HydrophobicContact CD2-CG1 3.71Å; G958-V960 VanDerWaalsContact C-N 3.32Å; G958-V960 PolarHBondContact O-N 3.45Å
961K76.9Confident84.5Confident163 Ų16362.9 Ų62.971%0.70932%0.324SS*.EExtended strand (participates in β ladder)trans-97.8144.6172.6-68-172.2177.3-174.40109.8Q959 V963Q959-K961 PolarHBondContact O-N 3.02Å; K961-V963 PolarHBondContact O-N 3.49Å
962P84.5Confident83.5Confident91 Ų9163.7 Ų63.759%0.59132%0.321SS*.EExtended strand (participates in β ladder)trans-55.2126.3177.4-27.835.5000113.6A952A952-P962 WeakPolarHBondContact O-CA 3.49Å
963V90.4Very high82.5Confident29 Ų2968.7 Ų68.718%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-127.3151.3-180-73.50000111R937 S951 A952 L954 Q959 K961 V965R937-V963 HydrophobicContact CB-CB 4.14Å; R937-V963 HydrophobicContact CB-CG2 3.78Å; R937-V963 HydrophobicContact CG-CB 3.95Å; R937-V963 HydrophobicContact CG-CG2 4.13Å; S951-V963 CarbonylContact C-O 3.54Å; S951-V963 VanDerWaalsContact CA-O 3.22Å; S951-V963 WeakPolarHBondContact CA-O 3.23Å; A952-V963 PolarHBondContact N-O 3.07Å; A952-V963 WeakPolarHBondContact O-CG2 3.48Å; A952-V963 PolarHBondContact O-N 2.74Å; L954-V963 HydrophobicContact CD1-CG2 3.71Å; L954-V963 HydrophobicContact CG-CG2 3.96Å; Q959-V963 HydrophobicContact CB-CG2 4.28Å; K961-V963 PolarHBondContact O-N 3.49Å; V963-V965 PolarHBondContact O-N 3.35Å
964R94Very high81.3Confident82 Ų8268.5 Ų68.531%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-60.4124.2-174.4-172.9179.7-61.1-80.6-4.5112.3R937 S948R937-R964 WeakPolarHBondContact CD-O 3.47Å; R937-R964 PolarHBondContact N-O 3.19Å; S948-R964 WeakPolarHBondContact O-CD 3.43Å; S948-R964 VanDerWaalsContact O-CG 3.26Å; S948-R964 WeakPolarHBondContact O-CG 3.23Å; S948-R964 PolarHBondContact O-NH1 3.24Å
965V94.1Very high79.5Confident0 Ų071.3 Ų71.30%036%0.359CS..  trans-120.8157.8173.3-70.70000110.5S948 H950 A952 L954 V963 C969 Y970S948-V965 CarbonylContact C-O 3.55Å; S948-V965 VanDerWaalsContact CA-O 3.28Å; S948-V965 WeakPolarHBondContact CA-O 3.29Å; H950-V965 HydrophobicContact CB-CG2 4.25Å; H950-V965 PolarHBondContact O-N 2.85Å; H950-V965 VanDerWaalsContact O-N 3.07Å; A952-V965 HydrophobicContact CB-CG2 4.21Å; L954-V965 HydrophobicContact CD1-CG1 4.19Å; L954-V965 HydrophobicContact CD2-CG1 4.3Å; V963-V965 PolarHBondContact O-N 3.35Å; V965-C969 HydrophobicContact CB-CB 4.22Å; V965-Y970 HydrophobicContact CG2-CD2 3.86Å; V965-Y970 HydrophobicContact CG2-CG 4.37Å
966C94.2Very high77.7Confident2 Ų273.1 Ų73.11%0.01437%0.37CS..  trans-74.2156.7167.863.80000110.4C936 F943 C947 H968 C969 Y970C936-C966 HydrophobicContact CB-CB 4.15Å; C936-C966 PolarHBondContact SG-N 3.17Å; F943-C966 HydrophobicContact CD1-CB 3.92Å; F943-C966 HydrophobicContact CD2-CB 3.63Å; F943-C966 HydrophobicContact CE1-CB 3.8Å; F943-C966 HydrophobicContact CE2-CB 3.49Å; F943-C966 VanDerWaalsContact CE2-CB 3.49Å; F943-C966 HydrophobicContact CG-CB 3.85Å; F943-C966 HydrophobicContact CZ-CB 3.59Å; C947-C966 VanDerWaalsContact O-CA 3.26Å; C947-C966 WeakPolarHBondContact O-CA 3.49Å; C947-C966 WeakPolarHBondContact O-CB 3.46Å; C966-H968 PolarHBondContact O-N 3.29Å; C966-H968 VanDerWaalsContact O-N 3.15Å; C966-C969 PolarHBondContact O-N 3.35Å; C966-C969 VanDerWaalsContact O-N 3.08Å; C966-C969 PolarHBondContact SG-N 3.23Å; C966-Y970 PolarHBondContact O-N 3.23Å
967T87.9Confident75.9Confident47 Ų4774 Ų7429%0.28838%0.379SS..Hα-helixtrans-53.4-37.8-178.7-520000112.4C947 H950 Y970 M971C947-T967 PolarHBondContact O-N 3.28Å; C947-T967 VanDerWaalsContact O-N 3.15Å; H950-T967 PolarHBondContact CD2-OG1 3.15Å; H950-T967 PolarHBondContact NE2-OG1 3.27Å; T967-Y970 WeakPolarHBondContact O-CB 3.46Å; T967-Y970 PolarHBondContact O-N 3.35Å; T967-M971 HydrophobicContact CG2-SD 4.23Å; T967-M971 WeakPolarHBondContact O-CG 3.41Å; T967-M971 PolarHBondContact O-N 2.96Å
968H87.1Confident73.9Confident118 Ų11877.6 Ų77.655%0.54639%0.393SS..Hα-helixtrans-60.8-57.6173176.581000112.3C966 Y970 M971 F972C966-H968 PolarHBondContact O-N 3.29Å; C966-H968 VanDerWaalsContact O-N 3.15Å; H968-Y970 PolarHBondContact O-N 3.4Å; H968-Y970 VanDerWaalsContact O-N 3.11Å; H968-M971 PolarHBondContact O-N 2.78Å; H968-F972 AromaticContact CE1-CD2 3.45Å; H968-F972 VanDerWaalsContact CE1-CD2 3.45Å; H968-F972 WeakPolarHBondContact CE1-CD2 3.43Å; H968-F972 AromaticContact CE1-CE2 3.5Å; H968-F972 AromaticContact CG-CD2 3.99Å; H968-F972 AromaticContact ND1-CD2 3.39Å; H968-F972 WeakPolarHBondContact ND1-CD2 3.38Å; H968-F972 AromaticContact ND1-CE2 3.39Å; H968-F972 WeakPolarHBondContact ND1-CE2 3.36Å; H968-F972 WeakPolarHBondContact O-CD2 3.41Å; H968-F972 PolarHBondContact O-N 3.01Å
969C87.3Confident71.7Confident4 Ų480.2 Ų80.23%0.02741%0.406CS..Hα-helixtrans-63.8-17.9177.5-68.60000114V965 C966 H973V965-C969 HydrophobicContact CB-CB 4.22Å; C966-C969 PolarHBondContact O-N 3.35Å; C966-C969 VanDerWaalsContact O-N 3.08Å; C966-C969 PolarHBondContact SG-N 3.23Å; C969-H973 WeakPolarHBondContact O-CB 3.15Å; C969-H973 PolarHBondContact O-CD2 3.11Å; C969-H973 PolarHBondContact O-N 2.89Å
970Y85.9Confident69.6Low78 Ų7884 Ų8431%0.30643%0.428SS..Hα-helixtrans-71.5-51.3168.9-168.5-105.5000110.9H950 A952 V965 C966 T967 H968 F972 V974H950-Y970 HydrophobicContact CB-CD1 4.07Å; H950-Y970 HydrophobicContact CB-CD2 3.41Å; H950-Y970 VanDerWaalsContact CB-CD2 3.41Å; H950-Y970 HydrophobicContact CB-CE1 4.45Å; H950-Y970 HydrophobicContact CB-CE2 3.84Å; H950-Y970 HydrophobicContact CB-CG 3.53Å; H950-Y970 AromaticContact CG-CD1 3.76Å; H950-Y970 AromaticContact CG-CG 3.69Å; H950-Y970 AromaticContact ND1-CD1 3.54Å; H950-Y970 AromaticContact ND1-CE1 3.6Å; H950-Y970 AromaticContact ND1-CG 3.96Å; A952-Y970 HydrophobicContact CB-CD2 4.06Å; A952-Y970 HydrophobicContact CB-CE2 4.17Å; V965-Y970 HydrophobicContact CG2-CD2 3.86Å; V965-Y970 HydrophobicContact CG2-CG 4.37Å; C966-Y970 PolarHBondContact O-N 3.23Å; T967-Y970 WeakPolarHBondContact O-CB 3.46Å; T967-Y970 PolarHBondContact O-N 3.35Å; H968-Y970 PolarHBondContact O-N 3.4Å; H968-Y970 VanDerWaalsContact O-N 3.11Å; Y970-F972 VanDerWaalsContact C-N 3.32Å; Y970-F972 PolarHBondContact O-N 3.3Å; Y970-V974 HydrophobicContact CD2-CB 4.07Å; Y970-V974 HydrophobicContact CD2-CG1 4.23Å; Y970-V974 HydrophobicContact CD2-CG2 3.79Å; Y970-V974 HydrophobicContact CE2-CB 4.2Å; Y970-V974 HydrophobicContact CE2-CG1 3.89Å; Y970-V974 HydrophobicContact CE2-CG2 4.29Å; Y970-V974 HydrophobicContact CG-CB 4.48Å; Y970-V974 HydrophobicContact CG-CG2 4.33Å; Y970-V974 WeakPolarHBondContact O-CB 3.48Å; Y970-V974 VanDerWaalsContact O-CG2 3.29Å; Y970-V974 WeakPolarHBondContact O-CG2 3.48Å; Y970-V974 PolarHBondContact O-N 2.91Å; Y970-V974 VanDerWaalsContact O-N 3.09Å
971M79.4Confident67.3Low106 Ų10689.3 Ų89.352%0.52244%0.444SS..Hα-helixtrans-64.7-31.6178.6-65.9172.371.400113.6T967 H968 T975T967-M971 HydrophobicContact CG2-SD 4.23Å; T967-M971 WeakPolarHBondContact O-CG 3.41Å; T967-M971 PolarHBondContact O-N 2.96Å; H968-M971 PolarHBondContact O-N 2.78Å; M971-T975 WeakPolarHBondContact CA-OG1 3.48Å; M971-T975 PolarHBondContact O-OG1 3.33Å
972F69.6Low65.4Low76 Ų7687.4 Ų87.433%0.33345%0.448SS..THydrogen-bonded Turntrans-96.6-5.1-176-76.2-82000115.3H968 Y970 Y978H968-F972 AromaticContact CE1-CD2 3.45Å; H968-F972 VanDerWaalsContact CE1-CD2 3.45Å; H968-F972 WeakPolarHBondContact CE1-CD2 3.43Å; H968-F972 AromaticContact CE1-CE2 3.5Å; H968-F972 AromaticContact CG-CD2 3.99Å; H968-F972 AromaticContact ND1-CD2 3.39Å; H968-F972 WeakPolarHBondContact ND1-CD2 3.38Å; H968-F972 AromaticContact ND1-CE2 3.39Å; H968-F972 WeakPolarHBondContact ND1-CE2 3.36Å; H968-F972 WeakPolarHBondContact O-CD2 3.41Å; H968-F972 PolarHBondContact O-N 3.01Å; Y970-F972 VanDerWaalsContact C-N 3.32Å; Y970-F972 PolarHBondContact O-N 3.3Å; F972-Y978 HydrophobicContact CD1-CG 4.27Å; F972-Y978 HydrophobicContact CE1-CD1 4.23Å; F972-Y978 HydrophobicContact CE1-CG 4.07Å
973H63.6Low63Low106 Ų10688 Ų8849%0.49146%0.46SS..THydrogen-bonded Turntrans-137.44.8180-52.9-40.3000115S938 C969S938-H973 PolarHBondContact OG-CD2 3.3Å; S938-H973 VanDerWaalsContact OG-CD2 3.22Å; C969-H973 WeakPolarHBondContact O-CB 3.15Å; C969-H973 PolarHBondContact O-CD2 3.11Å; C969-H973 PolarHBondContact O-N 2.89Å
974V59Low60.2Low53 Ų5398 Ų9832%0.32151%0.511SS..THydrogen-bonded Turntrans-134.9-33.7-172.1-161.90000112.6A952 Y970A952-V974 HydrophobicContact CB-CB 4.25Å; A952-V974 HydrophobicContact CB-CG1 3.82Å; A952-V974 HydrophobicContact CB-CG2 3.32Å; Y970-V974 HydrophobicContact CD2-CB 4.07Å; Y970-V974 HydrophobicContact CD2-CG1 4.23Å; Y970-V974 HydrophobicContact CD2-CG2 3.79Å; Y970-V974 HydrophobicContact CE2-CB 4.2Å; Y970-V974 HydrophobicContact CE2-CG1 3.89Å; Y970-V974 HydrophobicContact CE2-CG2 4.29Å; Y970-V974 HydrophobicContact CG-CB 4.48Å; Y970-V974 HydrophobicContact CG-CG2 4.33Å; Y970-V974 WeakPolarHBondContact O-CB 3.48Å; Y970-V974 VanDerWaalsContact O-CG2 3.29Å; Y970-V974 WeakPolarHBondContact O-CG2 3.48Å; Y970-V974 PolarHBondContact O-N 2.91Å; Y970-V974 VanDerWaalsContact O-N 3.09Å
975T47.4Very low58.5Low70 Ų7098.8 Ų98.843%0.42952%0.521SS..SBendtrans-83.1127.4163.831.80000110M971 F977M971-T975 WeakPolarHBondContact CA-OG1 3.48Å; M971-T975 PolarHBondContact O-OG1 3.33Å; T975-F977 PolarHBondContact O-N 3.21Å
976P40.5Very low56.6Low110 Ų110104 Ų10471%0.71455%0.548SS*.THydrogen-bonded Turntrans-67-4.1-165.6-25.936000118.3
977F37.5Very low54.6Low185 Ų185109.7 Ų109.781%0.81158%0.578SS**THydrogen-bonded Turntrans-97.72.9-165.5-71.6-76.6000116T975T975-F977 PolarHBondContact O-N 3.21Å
978Y38.5Very low52.6Low132 Ų132113.4 Ų113.452%0.51860%0.595SS.*  trans-130.7119.6166.4-74-82.4000109.9F972F972-Y978 HydrophobicContact CD1-CG 4.27Å; F972-Y978 HydrophobicContact CE1-CD1 4.23Å; F972-Y978 HydrophobicContact CE1-CG 4.07Å
979S31.1Very low50.4Low91 Ų91113.1 Ų113.164%0.63660%0.598SS**  trans-152.654.8175.6-83.50000111K981S979-K981 PolarHBondContact O-N 2.62Å
980D34.8Very low48Very low133 Ų133120.3 Ų120.371%0.71164%0.636SS**  trans-55.4129.2168.1-55.3-57.4000110.3P982D980-P982 WeakPolarHBondContact O-CD 3.35Å
981K28.7Very low45.3Very low199 Ų199123.4 Ų123.487%0.86566%0.66SS**  trans-94.3111.8164.5-66.9174.6-171.8160.40107.5S979 A983S979-K981 PolarHBondContact O-N 2.62Å; K981-A983 PolarHBondContact O-N 3.48Å
982P37.9Very low42.6Very low123 Ų123124.7 Ų124.780%0.79967%0.67SS**  trans-65.2128.3162.628.5-32.3000108.5D980D980-P982 WeakPolarHBondContact O-CD 3.35Å
983A33.8Very low40.4Very low103 Ų103128.8 Ų128.885%0.85170%0.698SS**  trans-84.3114.917900000111.3K981K981-A983 PolarHBondContact O-N 3.48Å
984I31.9Very low38.3Very low240 Ų240130.8 Ų130.8100%1.23172%0.717SS**  trans-141.80161.3-57.4-173.1000107.3

Retrieved 984 of 984 residues in 633.2 ms (Link to these results)

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