A0A7N9CH88_MACFA Loading...

Myc box-dependent-interacting protein 1

AlphaFold DB , UniProt , Accession A0A7N9CH88, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene BIN1, Length 593 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
1M35Very low42.1Very low255 Ų255125.6 Ų125.6100%1.25675%0.751SS**  0150.50-75.8177.117100107.9
2A41.7Very low42.4Very low103 Ų103118.8 Ų118.885%0.85173%0.726SS**  trans-103.4147.9-175.100000111
3E38.9Very low43Very low194 Ų194118.5 Ų118.591%0.90771%0.709SS**  trans-144116154.1-154.3-176.6164.500108.5
4M38.1Very low44.2Very low199 Ų199114.4 Ų114.498%0.9868%0.681SS**  trans-150.483.1178.8-129.2166.6172.700107.6
5G38.7Very low45.3Very low61 Ų61110.5 Ų110.563%0.62967%0.666SS**  trans-93119.7-164.100000115.9K7G5-K7 PolarHBondContact O-N 3.49Å
6S41.3Very low46.6Very low107 Ų107106.7 Ų106.775%0.74865%0.646SS**SBendtrans59.30.8134.2-150.40000122.8
7K43Very low47.6Very low199 Ų199104.3 Ų104.387%0.86563%0.629SS**SBendtrans-83.9-9.2178-71-165.9175.8-173.10116.2G5G5-K7 PolarHBondContact O-N 3.49Å
8G40.7Very low49Very low65 Ų65103.4 Ų103.467%0.6762%0.624SS**SBendtrans-91.8-14.1-175.500000116.6
9V46.4Very low50.3Low86 Ų86105.2 Ų105.252%0.52162%0.624SS.*Hα-helixtrans-83.4-37.3-168.6179.30000112.6K13V9-K13 HydrophobicContact CG1-CD 4.35Å; V9-K13 PolarHBondContact O-N 3.33Å
10T50.4Low51.6Low47 Ų47103.9 Ų103.929%0.28861%0.611SS.*Hα-helixtrans-63.8-53.9-178.3-52.70000112.5G12 K13 I14 E560T10-G12 VanDerWaalsContact C-N 3.29Å; T10-G12 PolarHBondContact O-N 2.98Å; T10-K13 PolarHBondContact O-N 3Å; T10-K13 VanDerWaalsContact O-N 3.09Å; T10-I14 HydrophobicContact CG2-CD1 3.78Å; T10-I14 WeakPolarHBondContact O-CG1 3.35Å; T10-I14 PolarHBondContact O-N 3.45Å; T10-E560 VanDerWaalsContact CB-OE1 3.28Å; T10-E560 WeakPolarHBondContact CB-OE1 3.33Å; T10-E560 HydrophobicContact CG2-CG 3.76Å; T10-E560 WeakPolarHBondContact CG2-OE1 3.22Å; T10-E560 PolarHBondContact OG1-OE1 3.2Å
11A49Very low52.6Low66 Ų66102.8 Ų102.855%0.54560%0.598SS.*Hα-helixtrans-60.4-37.2-178.200000112.7A15A11-A15 VanDerWaalsContact O-CB 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 2.65Å
12G45.4Very low54.5Low44 Ų4496.4 Ų96.445%0.45457%0.568SS.*Hα-helixtrans-67-35.9175.900000113.6T10 S16T10-G12 VanDerWaalsContact C-N 3.29Å; T10-G12 PolarHBondContact O-N 2.98Å; G12-S16 VanDerWaalsContact O-CB 3.24Å; G12-S16 WeakPolarHBondContact O-CB 3.45Å; G12-S16 PolarHBondContact O-N 2.78Å
13K51Low56.3Low114 Ų11494 Ų9450%0.49654%0.544SS..Hα-helixtrans-69.1-45.9173.7-76.3173.5175.2177.90111.9V9 T10 S16 N17V9-K13 HydrophobicContact CG1-CD 4.35Å; V9-K13 PolarHBondContact O-N 3.33Å; T10-K13 PolarHBondContact O-N 3Å; T10-K13 VanDerWaalsContact O-N 3.09Å; K13-S16 WeakPolarHBondContact O-CB 3.25Å; K13-S16 PolarHBondContact O-N 3.2Å; K13-N17 WeakPolarHBondContact O-CB 3.12Å; K13-N17 PolarHBondContact O-N 3.11Å
14I59.7Low58.3Low62 Ų6287 Ų8732%0.31851%0.509SS..Hα-helixtrans-60.2-49.2177.7-64.5168.3000109.8T10 S16 N17 V18T10-I14 HydrophobicContact CG2-CD1 3.78Å; T10-I14 WeakPolarHBondContact O-CG1 3.35Å; T10-I14 PolarHBondContact O-N 3.45Å; I14-S16 VanDerWaalsContact C-N 3.35Å; I14-S16 PolarHBondContact O-N 3.46Å; I14-N17 PolarHBondContact O-N 2.91Å; I14-N17 VanDerWaalsContact O-N 3.15Å; I14-V18 HydrophobicContact CG2-CG2 4.45Å; I14-V18 WeakPolarHBondContact O-CG2 3.31Å; I14-V18 PolarHBondContact O-N 3.39Å
15A60.9Low59.9Low56 Ų5680.1 Ų80.146%0.46348%0.483SS..Hα-helixtrans-59.2-42.4175.300000112.5A11 N17 V18 Q19A11-A15 VanDerWaalsContact O-CB 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 2.65Å; A15-N17 VanDerWaalsContact C-N 3.34Å; A15-N17 PolarHBondContact O-N 2.96Å; A15-V18 PolarHBondContact O-N 2.81Å; A15-Q19 WeakPolarHBondContact O-CB 3.38Å; A15-Q19 PolarHBondContact O-N 3.41Å
16S64.8Low61.8Low49 Ų4982.7 Ų82.734%0.34348%0.479SS..Hα-helixtrans-62.4-38.4175.3-1760000112.9G12 K13 I14 K20G12-S16 VanDerWaalsContact O-CB 3.24Å; G12-S16 WeakPolarHBondContact O-CB 3.45Å; G12-S16 PolarHBondContact O-N 2.78Å; K13-S16 WeakPolarHBondContact O-CB 3.25Å; K13-S16 PolarHBondContact O-N 3.2Å; I14-S16 VanDerWaalsContact C-N 3.35Å; I14-S16 PolarHBondContact O-N 3.46Å; S16-K20 WeakPolarHBondContact O-CD 3.22Å; S16-K20 VanDerWaalsContact O-CG 3.27Å; S16-K20 WeakPolarHBondContact O-CG 3.32Å; S16-K20 PolarHBondContact O-N 2.88Å; S16-K20 PolarHBondContact OG-NZ 3.39Å
17N65Low63.6Low66 Ų6677.8 Ų77.835%0.35344%0.444SS..Hα-helixtrans-74.9-40.3179.8-75.7-3.8000111.8K13 I14 A15 Q19 K20 K21K13-N17 WeakPolarHBondContact O-CB 3.12Å; K13-N17 PolarHBondContact O-N 3.11Å; I14-N17 PolarHBondContact O-N 2.91Å; I14-N17 VanDerWaalsContact O-N 3.15Å; A15-N17 VanDerWaalsContact C-N 3.34Å; A15-N17 PolarHBondContact O-N 2.96Å; N17-Q19 VanDerWaalsContact C-N 3.34Å; N17-K20 PolarHBondContact O-N 2.79Å; N17-K20 PolarHBondContact OD1-NZ 3.03Å; N17-K21 PolarHBondContact O-N 3.38Å
18V72.6Confident65.3Low89 Ų8973.6 Ų73.654%0.53943%0.426SS..Hα-helixtrans-60.3-44.7171171.40000110.6I14 A15 K20 K21 L22I14-V18 HydrophobicContact CG2-CG2 4.45Å; I14-V18 WeakPolarHBondContact O-CG2 3.31Å; I14-V18 PolarHBondContact O-N 3.39Å; A15-V18 PolarHBondContact O-N 2.81Å; V18-K20 PolarHBondContact O-N 3.06Å; V18-K21 PolarHBondContact O-N 2.78Å; V18-L22 PolarHBondContact O-N 3.25Å
19Q73.9Confident66.9Low136 Ų13674.4 Ų74.464%0.63642%0.418SS*.Hα-helixtrans-62.3-43.4177-171160-27.100111.6A15 N17 K21 L22 T23A15-Q19 WeakPolarHBondContact O-CB 3.38Å; A15-Q19 PolarHBondContact O-N 3.41Å; N17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-K21 PolarHBondContact O-N 2.93Å; Q19-L22 WeakPolarHBondContact O-CB 3.01Å; Q19-L22 PolarHBondContact O-N 3.08Å; Q19-T23 PolarHBondContact O-N 3.15Å; Q19-T23 PolarHBondContact O-OG1 2.85Å
20K75.8Confident68.1Low80 Ų8071.9 Ų71.935%0.34840%0.401SS..Hα-helixtrans-61.7-41.6172.8-70.4162.5-171.5137.60112.9S16 N17 V18 L22 T23 R24S16-K20 WeakPolarHBondContact O-CD 3.22Å; S16-K20 VanDerWaalsContact O-CG 3.27Å; S16-K20 WeakPolarHBondContact O-CG 3.32Å; S16-K20 PolarHBondContact O-N 2.88Å; S16-K20 PolarHBondContact OG-NZ 3.39Å; N17-K20 PolarHBondContact O-N 2.79Å; N17-K20 PolarHBondContact OD1-NZ 3.03Å; V18-K20 PolarHBondContact O-N 3.06Å; K20-L22 VanDerWaalsContact C-N 3.3Å; K20-L22 PolarHBondContact O-N 2.94Å; K20-T23 PolarHBondContact O-N 3.31Å; K20-R24 VanDerWaalsContact O-CG 3.28Å; K20-R24 WeakPolarHBondContact O-CG 3.46Å; K20-R24 PolarHBondContact O-N 3.25Å
21K71.9Confident69.5Low81 Ų8170.7 Ų70.735%0.35239%0.392SS..Hα-helixtrans-57.8-44.4174.1-79.3-168.9175.5-173.90110.3N17 V18 Q19 R24 A25 E538N17-K21 PolarHBondContact O-N 3.38Å; V18-K21 PolarHBondContact O-N 2.78Å; Q19-K21 PolarHBondContact O-N 2.93Å; K21-R24 PolarHBondContact O-N 3.41Å; K21-A25 PolarHBondContact O-N 3.17Å; K21-E538 IonicContact NZ-OE1 3.8Å; K21-E538 PolarHBondContact NZ-OE1 3.48Å
22L76.1Confident70.6Confident120 Ų12076.5 Ų76.563%0.62841%0.405SS*.Hα-helixtrans-63.2-47.7176.6-173.667.7000112.4V18 Q19 K20 R24 A25 Q26V18-L22 PolarHBondContact O-N 3.25Å; Q19-L22 WeakPolarHBondContact O-CB 3.01Å; Q19-L22 PolarHBondContact O-N 3.08Å; K20-L22 VanDerWaalsContact C-N 3.3Å; K20-L22 PolarHBondContact O-N 2.94Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 3.3Å; L22-A25 PolarHBondContact O-N 3.36Å; L22-Q26 PolarHBondContact O-N 2.79Å
23T78.1Confident71.8Confident54 Ų5479.3 Ų79.333%0.33141%0.409SS..Hα-helixtrans-62.5-40.1179-34.40000111.6Q19 K20 A25 Q26 E27 S152Q19-T23 PolarHBondContact O-N 3.15Å; Q19-T23 PolarHBondContact O-OG1 2.85Å; K20-T23 PolarHBondContact O-N 3.31Å; T23-A25 PolarHBondContact O-N 2.95Å; T23-Q26 PolarHBondContact O-N 3.03Å; T23-E27 WeakPolarHBondContact O-CB 3.45Å; T23-E27 PolarHBondContact O-N 3Å; T23-S152 WeakPolarHBondContact CG2-OG 3.45Å
24R80.7Confident72.7Confident47 Ų4777.2 Ų77.218%0.17742%0.42CS..Hα-helixtrans-61.1-42.6174.1-72.2171.4-172.1155.67.7112.9K20 K21 L22 E27 K28 R145 V148 D149K20-R24 VanDerWaalsContact O-CG 3.28Å; K20-R24 WeakPolarHBondContact O-CG 3.46Å; K20-R24 PolarHBondContact O-N 3.25Å; K21-R24 PolarHBondContact O-N 3.41Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 3.3Å; R24-E27 PolarHBondContact O-N 3.38Å; R24-K28 WeakPolarHBondContact O-CG 3.28Å; R24-K28 PolarHBondContact O-N 3.25Å; R24-R145 PolarHBondContact NE-O 2.9Å; R24-V148 HydrophobicContact CB-CG1 3.84Å; R24-V148 HydrophobicContact CG-CB 4.34Å; R24-V148 HydrophobicContact CG-CG1 3.89Å; R24-D149 WeakPolarHBondContact CG-OD1 3.39Å; R24-D149 IonicContact CZ-OD1 3.65Å; R24-D149 IonicContact CZ-OD2 3.56Å; R24-D149 IonicContact NE-OD1 3.71Å; R24-D149 PolarHBondContact NE-OD1 2.87Å; R24-D149 IonicContact NE-OD2 3.99Å; R24-D149 IonicContact NH2-OD1 2.6Å; R24-D149 PolarHBondContact NH2-OD1 2.98Å; R24-D149 VanDerWaalsContact NH2-OD1 3.12Å; R24-D149 IonicContact NH2-OD2 2.69Å; R24-D149 PolarHBondContact NH2-OD2 3.14Å
25A73.1Confident73.3Confident54 Ų5481 Ų8145%0.44644%0.435SS..Hα-helixtrans-64.7-43.1177.800000110.8K21 L22 T23 V29K21-A25 PolarHBondContact O-N 3.17Å; L22-A25 PolarHBondContact O-N 3.36Å; T23-A25 PolarHBondContact O-N 2.95Å; A25-V29 WeakPolarHBondContact O-CG2 3.28Å; A25-V29 PolarHBondContact O-N 3.41Å; A25-V29 VanDerWaalsContact O-N 3.12Å
26Q78.6Confident73.4Confident115 Ų11578.9 Ų78.954%0.53742%0.417SS..Hα-helixtrans-60.3-45.5174.5-178-179.8-17.200112L22 T23 V29 L30L22-Q26 PolarHBondContact O-N 2.79Å; T23-Q26 PolarHBondContact O-N 3.03Å; Q26-V29 PolarHBondContact O-N 3.49Å; Q26-L30 HydrophobicContact CG-CD1 4.02Å; Q26-L30 WeakPolarHBondContact O-CG 3.29Å; Q26-L30 PolarHBondContact O-N 3.18Å
27E79.3Confident73.4Confident3 Ų382.5 Ų82.51%0.01443%0.433CS..Hα-helixtrans-64.8-47.4-179.9-163.260.8-132.900111.8T23 R24 V29 L30 Q31 A36 V148 D151 S152 H155T23-E27 WeakPolarHBondContact O-CB 3.45Å; T23-E27 PolarHBondContact O-N 3Å; R24-E27 PolarHBondContact O-N 3.38Å; E27-V29 PolarHBondContact O-N 3.12Å; E27-L30 WeakPolarHBondContact O-CB 3.34Å; E27-L30 PolarHBondContact O-N 3.25Å; E27-Q31 WeakPolarHBondContact O-CG 3.25Å; E27-Q31 PolarHBondContact O-N 2.96Å; E27-A36 WeakPolarHBondContact OE1-CB 3.2Å; E27-V148 HydrophobicContact CB-CG1 3.98Å; E27-V148 HydrophobicContact CG-CG1 4.36Å; E27-D151 HydrophobicContact CG-CB 4.48Å; E27-S152 WeakPolarHBondContact OE2-CA 2.9Å; E27-S152 WeakPolarHBondContact OE2-CB 3.44Å; E27-S152 PolarHBondContact OE2-OG 3.44Å; E27-H155 IonicContact OE1-ND1 3.81Å; E27-H155 IonicContact OE2-ND1 3.63Å
28K77.6Confident73.8Confident112 Ų11284.3 Ų84.349%0.48744%0.439SS..Hα-helixtrans-56.5-34.7174.1-75.9-177.8176.8-175.10112.7R24 K32 V148R24-K28 WeakPolarHBondContact O-CG 3.28Å; R24-K28 PolarHBondContact O-N 3.25Å; K28-K32 WeakPolarHBondContact O-CB 3.49Å; K28-K32 VanDerWaalsContact O-CG 3.31Å; K28-K32 WeakPolarHBondContact O-CG 3.39Å; K28-K32 PolarHBondContact O-N 2.96Å; K28-K32 VanDerWaalsContact O-N 3.1Å; K28-V148 HydrophobicContact CG-CG1 4.23Å; K28-V148 HydrophobicContact CG-CG2 4.28Å
29V75.1Confident73.9Confident82 Ų8282.5 Ų82.550%0.49743%0.428SS..Hα-helixtrans-73.2-40.6175.2170.10000111.3A25 Q26 E27 K32 L33A25-V29 WeakPolarHBondContact O-CG2 3.28Å; A25-V29 PolarHBondContact O-N 3.41Å; A25-V29 VanDerWaalsContact O-N 3.12Å; Q26-V29 PolarHBondContact O-N 3.49Å; E27-V29 PolarHBondContact O-N 3.12Å; V29-K32 PolarHBondContact O-N 3.46Å; V29-L33 HydrophobicContact CG1-CD1 3.77Å; V29-L33 HydrophobicContact CG1-CG 4.38Å; V29-L33 WeakPolarHBondContact O-CB 3.38Å; V29-L33 WeakPolarHBondContact O-CG 3.42Å; V29-L33 PolarHBondContact O-N 3.01Å
30L70.6Confident73.9Confident33 Ų3382.6 Ų82.617%0.17343%0.426CS..Hα-helixtrans-61.8-44.4175-75.5161.1000111.8Q26 E27 L33 G34 K35 A36Q26-L30 HydrophobicContact CG-CD1 4.02Å; Q26-L30 WeakPolarHBondContact O-CG 3.29Å; Q26-L30 PolarHBondContact O-N 3.18Å; E27-L30 WeakPolarHBondContact O-CB 3.34Å; E27-L30 PolarHBondContact O-N 3.25Å; L30-L33 CarbonylContact O-C 3.56Å; L30-L33 PolarHBondContact O-N 2.85Å; L30-G34 PolarHBondContact O-N 2.96Å; L30-K35 HydrophobicContact CB-CB 4.47Å; L30-K35 HydrophobicContact CD2-CB 3.75Å; L30-K35 HydrophobicContact CD2-CD 4.27Å; L30-K35 PolarHBondContact O-N 2.85Å; L30-A36 HydrophobicContact CB-CB 3.9Å; L30-A36 PolarHBondContact O-N 3.36Å
31Q79.8Confident74.2Confident22 Ų2280.6 Ų80.610%0.10342%0.419CS..Hα-helixtrans-60-51.4174.8-70.3172.9-24.400111.4E27 L33 G34 A36 E38 D151E27-Q31 WeakPolarHBondContact O-CG 3.25Å; E27-Q31 PolarHBondContact O-N 2.96Å; Q31-L33 PolarHBondContact O-N 3.24Å; Q31-G34 PolarHBondContact O-N 3.42Å; Q31-A36 HydrophobicContact CG-CB 4.34Å; Q31-E38 HydrophobicContact CB-CB 4.36Å; Q31-E38 HydrophobicContact CG-CB 4.17Å; Q31-D151 PolarHBondContact NE2-OD2 3Å
32K73.4Confident74.9Confident187 Ų18784.3 Ų84.381%0.81344%0.438SS*.Hα-helixtrans-60-26.8175.9-77.2-178.3177.4-171.40114.2K28 V29K28-K32 WeakPolarHBondContact O-CB 3.49Å; K28-K32 VanDerWaalsContact O-CG 3.31Å; K28-K32 WeakPolarHBondContact O-CG 3.39Å; K28-K32 PolarHBondContact O-N 2.96Å; K28-K32 VanDerWaalsContact O-N 3.1Å; V29-K32 PolarHBondContact O-N 3.46Å
33L70.1Confident75.4Confident103 Ų10385.9 Ų85.954%0.53944%0.442SS..THydrogen-bonded Turntrans-88.82.6176.3-69.1173.5000113.5V29 L30 Q31 K35V29-L33 HydrophobicContact CG1-CD1 3.77Å; V29-L33 HydrophobicContact CG1-CG 4.38Å; V29-L33 WeakPolarHBondContact O-CB 3.38Å; V29-L33 WeakPolarHBondContact O-CG 3.42Å; V29-L33 PolarHBondContact O-N 3.01Å; L30-L33 CarbonylContact O-C 3.56Å; L30-L33 PolarHBondContact O-N 2.85Å; Q31-L33 PolarHBondContact O-N 3.24Å; L33-K35 HydrophobicContact CB-CD 4.06Å; L33-K35 HydrophobicContact CB-CG 4.14Å; L33-K35 HydrophobicContact CD1-CD 4.43Å; L33-K35 PolarHBondContact O-N 3.12Å
34G70.6Confident76Confident71 Ų7184 Ų8473%0.73243%0.429SS*.THydrogen-bonded Turntrans64.326.8-17600000113.6L30 Q31L30-G34 PolarHBondContact O-N 2.96Å; Q31-G34 PolarHBondContact O-N 3.42Å
35K70.4Confident76.6Confident141 Ų14186.6 Ų86.661%0.61344%0.443SS*.SBendtrans-104.2-9.6-177.3-69.9177.6-178.31740113.7L30 L33L30-K35 HydrophobicContact CB-CB 4.47Å; L30-K35 HydrophobicContact CD2-CB 3.75Å; L30-K35 HydrophobicContact CD2-CD 4.27Å; L30-K35 PolarHBondContact O-N 2.85Å; L33-K35 HydrophobicContact CB-CD 4.06Å; L33-K35 HydrophobicContact CB-CG 4.14Å; L33-K35 HydrophobicContact CD1-CD 4.43Å; L33-K35 PolarHBondContact O-N 3.12Å
36A64.9Low77.5Confident11 Ų1188.4 Ų88.49%0.09144%0.443CS..SBendtrans-142.2145.6169.400000108.5E27 L30 Q31E27-A36 WeakPolarHBondContact OE1-CB 3.2Å; L30-A36 HydrophobicContact CB-CB 3.9Å; L30-A36 PolarHBondContact O-N 3.36Å; Q31-A36 HydrophobicContact CG-CB 4.34Å
37D63Low78.3Confident126 Ų12684.1 Ų84.167%0.67443%0.425SS*.  trans-78.9124.3-179.8-73.3-31.6000110.9R154D37-R154 PolarHBondContact O-NH2 2.73Å
38E74.1Confident79.1Confident104 Ų10485.4 Ų85.449%0.48643%0.433SS..  trans-80.4128.2173.7-179.6178.3-138.600110.8Q31 K40Q31-E38 HydrophobicContact CB-CB 4.36Å; Q31-E38 HydrophobicContact CG-CB 4.17Å; E38-K40 HydrophobicContact CG-CG 4.24Å; E38-K40 PolarHBondContact O-N 2.89Å; E38-K40 WeakPolarHBondContact OE2-CE 3.36Å; E38-K40 IonicContact OE2-NZ 2.76Å
39T75.6Confident80Confident50 Ų5085.3 Ų85.331%0.30743%0.434SS..  trans-75107.5171.7-62.90000109.9L147 D151 R154T39-L147 HydrophobicContact CG2-CD1 3.93Å; T39-D151 PolarHBondContact N-OD2 3.08Å; T39-D151 VanDerWaalsContact N-OD2 3.13Å; T39-D151 PolarHBondContact OG1-OD1 3.26Å; T39-R154 PolarHBondContact OG1-NH2 3.05Å
40K72.6Confident81.1Confident138 Ų13883.2 Ų83.260%0.642%0.421SS*.  trans-96.3135.9178-64.1-168.1175.1-168.70112.7E38E38-K40 HydrophobicContact CG-CG 4.24Å; E38-K40 PolarHBondContact O-N 2.89Å; E38-K40 WeakPolarHBondContact OE2-CE 3.36Å; E38-K40 IonicContact OE2-NZ 2.76Å
41D82.1Confident82.4Confident38 Ų3881.9 Ų81.920%0.20341%0.413CS..  trans-130.879.3178.2-175.8-9.8000108.7Q43 F44 E45 R143 Q224D41-Q43 PolarHBondContact O-N 3.44Å; D41-F44 HydrophobicContact CB-CB 4.01Å; D41-F44 PolarHBondContact O-N 2.94Å; D41-F44 VanDerWaalsContact O-N 3.12Å; D41-F44 WeakPolarHBondContact OD1-CB 3.43Å; D41-F44 PolarHBondContact OD1-N 3.31Å; D41-F44 WeakPolarHBondContact OD2-CB 3.19Å; D41-E45 PolarHBondContact O-N 3.32Å; D41-R143 IonicContact OD2-CZ 3.33Å; D41-R143 IonicContact OD2-NH2 2.81Å; D41-R143 PolarHBondContact OD2-NH2 3.06Å; D41-Q224 PolarHBondContact OD2-NE2 3.1Å
42E86.1Confident83.3Confident159 Ų15984.1 Ų84.174%0.74343%0.426SS*.Hα-helixtrans-57.5-31.4-177.2-61.4-179.6170.600112.1Q46E42-Q46 WeakPolarHBondContact O-CB 3.33Å; E42-Q46 PolarHBondContact O-N 2.85Å
43Q86.9Confident84.4Confident154 Ų15480.5 Ų80.572%0.7241%0.41SS*.Hα-helixtrans-69.8-45.5177.3-176.8174.3-2000111D41 Q46 C47D41-Q43 PolarHBondContact O-N 3.44Å; Q43-Q46 PolarHBondContact O-N 3.34Å; Q43-C47 PolarHBondContact O-N 2.97Å; Q43-C47 PolarHBondContact O-SG 3.12Å
44F91.6Very high85.8Confident13 Ų1375.6 Ų75.66%0.05739%0.385CS..Hα-helixtrans-66.1-40.1174.8-172.1-88000112.3D41 Q46 C47 V48 I140 L223 Q224 L227D41-F44 HydrophobicContact CB-CB 4.01Å; D41-F44 PolarHBondContact O-N 2.94Å; D41-F44 VanDerWaalsContact O-N 3.12Å; D41-F44 WeakPolarHBondContact OD1-CB 3.43Å; D41-F44 PolarHBondContact OD1-N 3.31Å; D41-F44 WeakPolarHBondContact OD2-CB 3.19Å; F44-Q46 VanDerWaalsContact C-N 3.29Å; F44-Q46 PolarHBondContact O-N 3.2Å; F44-C47 WeakPolarHBondContact O-CB 3.28Å; F44-C47 PolarHBondContact O-N 3.42Å; F44-C47 VanDerWaalsContact O-N 3.11Å; F44-V48 HydrophobicContact CD1-CG2 3.74Å; F44-V48 HydrophobicContact CE1-CG2 3.31Å; F44-V48 HydrophobicContact CZ-CG2 3.94Å; F44-V48 WeakPolarHBondContact O-CG2 3.36Å; F44-V48 PolarHBondContact O-N 3.48Å; F44-I140 HydrophobicContact CZ-CG1 4.48Å; F44-L223 HydrophobicContact CE2-CB 3.71Å; F44-L223 HydrophobicContact CZ-CB 4.18Å; F44-L223 HydrophobicContact CZ-CD1 4.2Å; F44-Q224 HydrophobicContact CD2-CG 4.12Å; F44-L227 HydrophobicContact CD2-CD1 4.47Å; F44-L227 HydrophobicContact CE2-CD1 3.75Å; F44-L227 HydrophobicContact CZ-CD1 3.86Å
45E92.4Very high87.1Confident102 Ų10274 Ų7448%0.47736%0.359SS..Hα-helixtrans-57.8-42.7173.5-74.6-179.7-155.400111.5D41 C47 V48 Q49D41-E45 PolarHBondContact O-N 3.32Å; E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 3.06Å; E45-V48 PolarHBondContact O-N 2.85Å; E45-Q49 WeakPolarHBondContact O-CG 3.37Å; E45-Q49 PolarHBondContact O-N 3.3Å
46Q93.3Very high88.4Confident92 Ų9271.6 Ų71.643%0.4336%0.356SS..Hα-helixtrans-63.8-37.7175.1-17360.890.400112.6E42 Q43 F44 Q49 N50E42-Q46 WeakPolarHBondContact O-CB 3.33Å; E42-Q46 PolarHBondContact O-N 2.85Å; Q43-Q46 PolarHBondContact O-N 3.34Å; F44-Q46 VanDerWaalsContact C-N 3.29Å; F44-Q46 PolarHBondContact O-N 3.2Å; Q46-Q49 VanDerWaalsContact NE2-OE1 3.09Å; Q46-Q49 PolarHBondContact O-N 2.93Å; Q46-N50 VanDerWaalsContact O-CG 3.28Å; Q46-N50 PolarHBondContact O-N 3.19Å; Q46-N50 PolarHBondContact O-ND2 3.02Å
47C94.6Very high90Very high26 Ų2673.2 Ų73.218%0.17636%0.362CS..Hα-helixtrans-63.4-41.2172.2-72.20000112.3Q43 F44 E45 N50 F51 L227Q43-C47 PolarHBondContact O-N 2.97Å; Q43-C47 PolarHBondContact O-SG 3.12Å; F44-C47 WeakPolarHBondContact O-CB 3.28Å; F44-C47 PolarHBondContact O-N 3.42Å; F44-C47 VanDerWaalsContact O-N 3.11Å; E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 3.06Å; C47-N50 PolarHBondContact O-N 3.25Å; C47-F51 WeakPolarHBondContact O-CB 3.41Å; C47-F51 PolarHBondContact O-N 2.92Å; C47-L227 HydrophobicContact CB-CB 4.07Å; C47-L227 HydrophobicContact CB-CD1 4.09Å
48V96.4Very high91.6Very high29 Ų2967.2 Ų67.218%0.17633%0.33CS..Hα-helixtrans-67.5-37.5176172.40000112F44 E45 F51 N52 I140 L227F44-V48 HydrophobicContact CD1-CG2 3.74Å; F44-V48 HydrophobicContact CE1-CG2 3.31Å; F44-V48 HydrophobicContact CZ-CG2 3.94Å; F44-V48 WeakPolarHBondContact O-CG2 3.36Å; F44-V48 PolarHBondContact O-N 3.48Å; E45-V48 PolarHBondContact O-N 2.85Å; V48-F51 PolarHBondContact O-N 3Å; V48-N52 WeakPolarHBondContact CG1-ND2 3.38Å; V48-N52 PolarHBondContact O-N 3.44Å; V48-N52 PolarHBondContact O-ND2 3.46Å; V48-I140 HydrophobicContact CG1-CG2 4.3Å; V48-I140 HydrophobicContact CG2-CD1 4.36Å; V48-I140 HydrophobicContact CG2-CG1 4.41Å; V48-I140 HydrophobicContact CG2-CG2 3.88Å; V48-L227 HydrophobicContact CG2-CD1 4.35Å
49Q96.6Very high92.7Very high110 Ų11065.4 Ų65.451%0.51433%0.326SS..Hα-helixtrans-61.8-45.3172.1-70.5172.822.100111.5E45 Q46 N52 K53E45-Q49 WeakPolarHBondContact O-CG 3.37Å; E45-Q49 PolarHBondContact O-N 3.3Å; Q46-Q49 VanDerWaalsContact NE2-OE1 3.09Å; Q46-Q49 PolarHBondContact O-N 2.93Å; Q49-N52 PolarHBondContact O-N 2.88Å; Q49-K53 WeakPolarHBondContact O-CB 3.4Å; Q49-K53 PolarHBondContact O-N 2.89Å
50N97.2Very high93.8Very high39 Ų3969.8 Ų69.821%0.20934%0.337CS..Hα-helixtrans-61.8-44.6176.4-73.3-22.9000111.6Q46 C47 K53 Q54 W231Q46-N50 VanDerWaalsContact O-CG 3.28Å; Q46-N50 PolarHBondContact O-N 3.19Å; Q46-N50 PolarHBondContact O-ND2 3.02Å; C47-N50 PolarHBondContact O-N 3.25Å; N50-K53 PolarHBondContact O-N 3.38Å; N50-Q54 VanDerWaalsContact O-CB 3.31Å; N50-Q54 WeakPolarHBondContact O-CB 3.29Å; N50-Q54 PolarHBondContact O-N 3.1Å; N50-W231 HydrophobicContact CB-CD2 3.85Å; N50-W231 HydrophobicContact CB-CE3 3.81Å; N50-W231 HydrophobicContact CB-CG 4.38Å; N50-W231 HydrophobicContact CB-CH2 4.34Å; N50-W231 HydrophobicContact CB-CZ2 4.35Å; N50-W231 HydrophobicContact CB-CZ3 4.07Å; N50-W231 WeakPolarHBondContact O-CZ3 3.31Å
51F98.4Very high95Very high4 Ų464.7 Ų64.72%0.01832%0.316CS..Hα-helixtrans-56.5-50.3174.4172.5-92.1000112.4C47 V48 K53 Q54 L55 F133 I136 K137 I140 L227 L230C47-F51 WeakPolarHBondContact O-CB 3.41Å; C47-F51 PolarHBondContact O-N 2.92Å; V48-F51 PolarHBondContact O-N 3Å; F51-K53 VanDerWaalsContact C-N 3.35Å; F51-K53 PolarHBondContact O-N 3.09Å; F51-Q54 WeakPolarHBondContact O-CB 3.46Å; F51-Q54 PolarHBondContact O-N 2.86Å; F51-L55 HydrophobicContact CE1-CD2 4.49Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 PolarHBondContact O-N 3.22Å; F51-F133 HydrophobicContact CD2-CD1 4.02Å; F51-F133 HydrophobicContact CD2-CE1 4.19Å; F51-F133 HydrophobicContact CE1-CD1 4.5Å; F51-F133 HydrophobicContact CE2-CB 4.42Å; F51-F133 AromaticContact CE2-CD1 3.43Å; F51-F133 HydrophobicContact CE2-CD1 3.43Å; F51-F133 VanDerWaalsContact CE2-CD1 3.43Å; F51-F133 HydrophobicContact CE2-CE1 4.04Å; F51-F133 HydrophobicContact CE2-CG 4.23Å; F51-F133 HydrophobicContact CZ-CB 4.19Å; F51-F133 AromaticContact CZ-CD1 3.71Å; F51-F133 HydrophobicContact CZ-CD1 3.71Å; F51-F133 HydrophobicContact CZ-CG 4.39Å; F51-I136 HydrophobicContact CD2-CG2 3.99Å; F51-I136 HydrophobicContact CE2-CB 3.87Å; F51-I136 HydrophobicContact CE2-CG2 3.45Å; F51-I136 VanDerWaalsContact CE2-CG2 3.45Å; F51-I136 HydrophobicContact CZ-CB 4.26Å; F51-I136 HydrophobicContact CZ-CG2 4.06Å; F51-K137 HydrophobicContact CE1-CB 4.02Å; F51-K137 HydrophobicContact CE1-CG 4.33Å; F51-K137 HydrophobicContact CZ-CB 3.95Å; F51-I140 HydrophobicContact CD1-CD1 3.68Å; F51-I140 HydrophobicContact CD2-CD1 4.29Å; F51-I140 HydrophobicContact CE1-CD1 3.81Å; F51-I140 HydrophobicContact CE2-CD1 4.41Å; F51-I140 HydrophobicContact CG-CD1 3.94Å; F51-I140 HydrophobicContact CZ-CD1 4.18Å; F51-L227 HydrophobicContact CB-CD2 4.22Å; F51-L227 HydrophobicContact CD2-CD2 3.76Å; F51-L227 HydrophobicContact CE2-CD2 4.47Å; F51-L227 HydrophobicContact CG-CD2 4.17Å; F51-L230 HydrophobicContact CD2-CD2 3.81Å; F51-L230 HydrophobicContact CE2-CD2 3.88Å
52N97.9Very high95.8Very high70 Ų7064.5 Ų64.537%0.37431%0.314SS..Hα-helixtrans-64.7-38.5179.6-75.4-51.8000112.2V48 Q49 T56V48-N52 WeakPolarHBondContact CG1-ND2 3.38Å; V48-N52 PolarHBondContact O-N 3.44Å; V48-N52 PolarHBondContact O-ND2 3.46Å; Q49-N52 PolarHBondContact O-N 2.88Å; N52-T56 WeakPolarHBondContact O-CB 3.26Å; N52-T56 PolarHBondContact O-N 2.67Å; N52-T56 PolarHBondContact O-OG1 3.18Å
53K98.1Very high96.4Very high110 Ų11063.5 Ų63.548%0.47831%0.307SS..Hα-helixtrans-61.1-47.9172.3177.3174.7175.7175.40111.4Q49 N50 F51 L55 T56 E57 W231Q49-K53 WeakPolarHBondContact O-CB 3.4Å; Q49-K53 PolarHBondContact O-N 2.89Å; N50-K53 PolarHBondContact O-N 3.38Å; F51-K53 VanDerWaalsContact C-N 3.35Å; F51-K53 PolarHBondContact O-N 3.09Å; K53-L55 PolarHBondContact O-N 3.26Å; K53-T56 WeakPolarHBondContact O-CB 3.49Å; K53-T56 PolarHBondContact O-N 2.87Å; K53-E57 WeakPolarHBondContact CE-OE1 3.35Å; K53-E57 HydrophobicContact CG-CG 4.43Å; K53-E57 IonicContact NZ-OE1 2.7Å; K53-E57 WeakPolarHBondContact O-CG 3.32Å; K53-E57 PolarHBondContact O-N 3.49Å; K53-W231 HydrophobicContact CD-CH2 4.35Å
54Q98.4Very high96.9Very high1 Ų160 Ų601%0.00529%0.294CS..Hα-helixtrans-60.9-44.7179.7-167.5-179.3-6.500112.3N50 F51 T56 E57 G58 Y129 F133 L230 W231 R234N50-Q54 VanDerWaalsContact O-CB 3.31Å; N50-Q54 WeakPolarHBondContact O-CB 3.29Å; N50-Q54 PolarHBondContact O-N 3.1Å; F51-Q54 WeakPolarHBondContact O-CB 3.46Å; F51-Q54 PolarHBondContact O-N 2.86Å; Q54-T56 VanDerWaalsContact C-N 3.31Å; Q54-T56 PolarHBondContact O-N 2.93Å; Q54-E57 PolarHBondContact O-N 3.19Å; Q54-G58 PolarHBondContact O-N 2.9Å; Q54-Y129 PolarHBondContact NE2-OH 3.35Å; Q54-F133 HydrophobicContact CB-CE1 4.12Å; Q54-F133 HydrophobicContact CB-CZ 4.38Å; Q54-F133 HydrophobicContact CG-CE1 4.03Å; Q54-F133 HydrophobicContact CG-CZ 3.8Å; Q54-L230 PolarHBondContact NE2-O 2.75Å; Q54-W231 HydrophobicContact CB-CE3 3.96Å; Q54-W231 HydrophobicContact CB-CZ3 3.89Å; Q54-W231 HydrophobicContact CG-CE3 4.25Å; Q54-W231 HydrophobicContact CG-CZ3 4.42Å; Q54-R234 HydrophobicContact CG-CB 4.3Å
55L98Very high97.2Very high36 Ų3659.9 Ų59.919%0.18829%0.293CS..Hα-helixtrans-59.7-42.9174.3177.953.4000111.4F51 K53 T59 L130 F133F51-L55 HydrophobicContact CE1-CD2 4.49Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 PolarHBondContact O-N 3.22Å; K53-L55 PolarHBondContact O-N 3.26Å; L55-T59 VanDerWaalsContact O-CB 3.27Å; L55-T59 WeakPolarHBondContact O-CB 3.49Å; L55-T59 PolarHBondContact O-N 3.35Å; L55-T59 PolarHBondContact O-OG1 2.94Å; L55-L130 HydrophobicContact CD1-CD2 4.37Å; L55-F133 HydrophobicContact CB-CD1 3.65Å; L55-F133 HydrophobicContact CB-CE1 3.96Å; L55-F133 HydrophobicContact CB-CG 4.43Å; L55-F133 HydrophobicContact CD1-CB 3.77Å; L55-F133 HydrophobicContact CD1-CD1 3.93Å; L55-F133 HydrophobicContact CD1-CG 3.82Å; L55-F133 HydrophobicContact CD2-CB 4.44Å; L55-F133 HydrophobicContact CD2-CD1 4.47Å; L55-F133 HydrophobicContact CG-CD1 4.21Å
56T98.2Very high97.5Very high91 Ų9159.9 Ų59.956%0.55829%0.289SS*.Hα-helixtrans-66.5-45.6-179.9-570000111.4N52 K53 Q54 R60N52-T56 WeakPolarHBondContact O-CB 3.26Å; N52-T56 PolarHBondContact O-N 2.67Å; N52-T56 PolarHBondContact O-OG1 3.18Å; K53-T56 WeakPolarHBondContact O-CB 3.49Å; K53-T56 PolarHBondContact O-N 2.87Å; Q54-T56 VanDerWaalsContact C-N 3.31Å; Q54-T56 PolarHBondContact O-N 2.93Å; T56-R60 WeakPolarHBondContact O-CB 3.41Å; T56-R60 PolarHBondContact O-N 3.45Å
57E97.7Very high97.8Very high46 Ų4659.2 Ų59.222%0.21529%0.291CS..Hα-helixtrans-65.2-44.6177.5-72.2177.5174.300112.2K53 Q54 R60 L61 Y238K53-E57 WeakPolarHBondContact CE-OE1 3.35Å; K53-E57 HydrophobicContact CG-CG 4.43Å; K53-E57 IonicContact NZ-OE1 2.7Å; K53-E57 WeakPolarHBondContact O-CG 3.32Å; K53-E57 PolarHBondContact O-N 3.49Å; Q54-E57 PolarHBondContact O-N 3.19Å; E57-R60 PolarHBondContact O-N 2.91Å; E57-L61 WeakPolarHBondContact O-CB 3.11Å; E57-L61 PolarHBondContact O-N 2.78Å; E57-Y238 WeakPolarHBondContact CB-OH 3.37Å; E57-Y238 PolarHBondContact OE2-OH 3.34Å
58G97.4Very high98Very high0 Ų061.4 Ų61.40%030%0.296CS..Hα-helixtrans-65-43.9176.900000112.7Q54 R60 L61 Q62Q54-G58 PolarHBondContact O-N 2.9Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.4Å; G58-L61 PolarHBondContact O-N 2.93Å; G58-Q62 WeakPolarHBondContact O-CB 3.3Å; G58-Q62 PolarHBondContact O-N 2.83Å
59T97.9Very high98.1Very high65 Ų6560.5 Ų60.540%0.39929%0.291SS..Hα-helixtrans-61.6-39.1175.3-56.90000111.8L55 K63L55-T59 VanDerWaalsContact O-CB 3.27Å; L55-T59 WeakPolarHBondContact O-CB 3.49Å; L55-T59 PolarHBondContact O-N 3.35Å; L55-T59 PolarHBondContact O-OG1 2.94Å; T59-K63 PolarHBondContact O-N 3.44Å; T59-K63 VanDerWaalsContact O-N 3.07Å
60R98.2Very high98.2Very high143 Ų14358.1 Ų58.154%0.5429%0.289SS..Hα-helixtrans-62.8-50.3174-176.3-179.966.9-138.1-4.9110.9T56 E57 G58 Q62 K63 D64T56-R60 WeakPolarHBondContact O-CB 3.41Å; T56-R60 PolarHBondContact O-N 3.45Å; E57-R60 PolarHBondContact O-N 2.91Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.4Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; R60-Q62 PolarHBondContact O-N 3.24Å; R60-K63 WeakPolarHBondContact O-CB 3.45Å; R60-K63 PolarHBondContact O-N 2.77Å; R60-K63 VanDerWaalsContact O-N 3.1Å; R60-D64 VanDerWaalsContact O-CG 3.22Å; R60-D64 PolarHBondContact O-N 2.81Å
61L97.9Very high98.2Very high31 Ų3159.6 Ų59.616%0.16230%0.303CS..Hα-helixtrans-60.8-38.5179.5-178.458.2000112.5E57 G58 D64 L65 M126 Y238 F242E57-L61 WeakPolarHBondContact O-CB 3.11Å; E57-L61 PolarHBondContact O-N 2.78Å; G58-L61 PolarHBondContact O-N 2.93Å; L61-D64 PolarHBondContact O-N 3.21Å; L61-L65 WeakPolarHBondContact O-CB 3.44Å; L61-L65 PolarHBondContact O-N 3.47Å; L61-M126 HydrophobicContact CB-CE 4.37Å; L61-M126 HydrophobicContact CB-SD 4.41Å; L61-M126 HydrophobicContact CD2-CE 3.66Å; L61-M126 HydrophobicContact CD2-SD 4.46Å; L61-M126 HydrophobicContact CG-CE 3.6Å; L61-M126 HydrophobicContact CG-SD 4.27Å; L61-Y238 HydrophobicContact CD2-CD1 3.76Å; L61-Y238 HydrophobicContact CD2-CE1 3.88Å; L61-F242 HydrophobicContact CD1-CE2 4.11Å; L61-F242 HydrophobicContact CD1-CZ 3.7Å; L61-F242 HydrophobicContact CD2-CE2 4.12Å
62Q98.1Very high98.2Very high33 Ų3359.8 Ų59.815%0.15430%0.304CS..Hα-helixtrans-62.1-43.1173.5-172.7-158.859.500112G58 R60 R66 L123 M126 D127 L130G58-Q62 WeakPolarHBondContact O-CB 3.3Å; G58-Q62 PolarHBondContact O-N 2.83Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; R60-Q62 PolarHBondContact O-N 3.24Å; Q62-R66 VanDerWaalsContact CD-NH2 3.34Å; Q62-R66 WeakPolarHBondContact O-CG 3.23Å; Q62-R66 PolarHBondContact O-N 2.88Å; Q62-L123 HydrophobicContact CG-CD1 4.48Å; Q62-M126 HydrophobicContact CB-CG 3.55Å; Q62-M126 HydrophobicContact CB-SD 3.87Å; Q62-M126 HydrophobicContact CG-CG 3.63Å; Q62-D127 PolarHBondContact NE2-OD1 3.03Å; Q62-L130 HydrophobicContact CB-CD1 3.64Å; Q62-L130 HydrophobicContact CG-CD1 3.9Å
63K98.4Very high98.3Very high139 Ų13962 Ų6260%0.60431%0.31SS*.Hα-helixtrans-61.7-48.4174.9-178.3-173.5174.8-173.20110.9T59 R60 L65 R66 T67T59-K63 PolarHBondContact O-N 3.44Å; T59-K63 VanDerWaalsContact O-N 3.07Å; R60-K63 WeakPolarHBondContact O-CB 3.45Å; R60-K63 PolarHBondContact O-N 2.77Å; R60-K63 VanDerWaalsContact O-N 3.1Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 2.94Å; K63-R66 PolarHBondContact O-N 3.45Å; K63-T67 PolarHBondContact O-N 3.47Å; K63-T67 PolarHBondContact O-OG1 3.47Å
64D98.3Very high98.3Very high81 Ų8159.7 Ų59.743%0.43331%0.312SS..Hα-helixtrans-64.4-38.9-178.1-60.7-21.4000111.2R60 L61 T67 Y68R60-D64 VanDerWaalsContact O-CG 3.22Å; R60-D64 PolarHBondContact O-N 2.81Å; L61-D64 PolarHBondContact O-N 3.21Å; D64-T67 WeakPolarHBondContact O-CB 3.28Å; D64-T67 PolarHBondContact O-N 3.07Å; D64-Y68 PolarHBondContact O-N 3.21Å
65L98.3Very high98.3Very high10 Ų1065 Ų655%0.05234%0.338CS..Hα-helixtrans-64.5-40.3173.318058.6000112.6L61 K63 T67 Y68 L69 A122 L123 M126 I245L61-L65 WeakPolarHBondContact O-CB 3.44Å; L61-L65 PolarHBondContact O-N 3.47Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 2.94Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-Y68 HydrophobicContact CD1-CD1 4.48Å; L65-Y68 PolarHBondContact O-N 2.89Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.87Å; L65-A122 HydrophobicContact CD2-CB 4.08Å; L65-L123 HydrophobicContact CD2-CB 4.21Å; L65-L123 HydrophobicContact CD2-CD1 4.04Å; L65-L123 HydrophobicContact CG-CD1 4.29Å; L65-M126 HydrophobicContact CD2-CE 4.4Å; L65-I245 HydrophobicContact CD1-CD1 3.87Å; L65-I245 HydrophobicContact CD1-CG1 4.49Å
66R98.4Very high98.3Very high101 Ų10164.2 Ų64.238%0.38133%0.334SS..Hα-helixtrans-66.3-35.2173-71.9-170.7-173.1113.56.8112.1Q62 K63 A70 L123 D127Q62-R66 VanDerWaalsContact CD-NH2 3.34Å; Q62-R66 WeakPolarHBondContact O-CG 3.23Å; Q62-R66 PolarHBondContact O-N 2.88Å; K63-R66 PolarHBondContact O-N 3.45Å; R66-A70 PolarHBondContact O-N 3.37Å; R66-L123 HydrophobicContact CG-CD1 3.71Å; R66-L123 HydrophobicContact CG-CD2 4.19Å; R66-D127 IonicContact CZ-OD1 3.85Å; R66-D127 IonicContact NH2-OD1 3.32Å; R66-D127 PolarHBondContact NH2-OD1 3.5Å; R66-D127 IonicContact NH2-OD2 2.67Å; R66-D127 PolarHBondContact NH2-OD2 2.9Å
67T98.8Very high98.4Very high78 Ų7864.4 Ų64.448%0.47933%0.328SS..Hα-helixtrans-65.4-42.4172.4-59.60000111.3K63 D64 L65 A70 S71K63-T67 PolarHBondContact O-N 3.47Å; K63-T67 PolarHBondContact O-OG1 3.47Å; D64-T67 WeakPolarHBondContact O-CB 3.28Å; D64-T67 PolarHBondContact O-N 3.07Å; L65-T67 VanDerWaalsContact C-N 3.33Å; T67-A70 PolarHBondContact O-N 2.97Å; T67-S71 PolarHBondContact O-N 3.06Å; T67-S71 PolarHBondContact O-OG 3.42Å
68Y98.7Very high98.4Very high73 Ų7364.8 Ų64.829%0.28634%0.339SS..Hα-helixtrans-60.6-46.9174.1179.6-102.3000112.2D64 L65 A70 S71 V72 Y114 L118 E249D64-Y68 PolarHBondContact O-N 3.21Å; L65-Y68 HydrophobicContact CD1-CD1 4.48Å; L65-Y68 PolarHBondContact O-N 2.89Å; Y68-A70 VanDerWaalsContact C-N 3.3Å; Y68-A70 PolarHBondContact O-N 2.89Å; Y68-S71 CarbonylContact O-C 3.56Å; Y68-S71 WeakPolarHBondContact O-CA 3.48Å; Y68-S71 WeakPolarHBondContact O-CB 3.42Å; Y68-S71 PolarHBondContact O-N 3.33Å; Y68-S71 VanDerWaalsContact O-N 3.08Å; Y68-V72 HydrophobicContact CD1-CG2 4.2Å; Y68-V72 HydrophobicContact CE1-CG2 3.92Å; Y68-V72 WeakPolarHBondContact O-CG2 3.35Å; Y68-V72 PolarHBondContact O-N 2.97Å; Y68-Y114 PolarHBondContact OH-OH 3.29Å; Y68-L118 HydrophobicContact CD1-CD1 4.33Å; Y68-L118 HydrophobicContact CE1-CD1 3.79Å; Y68-L118 HydrophobicContact CE1-CD2 4.46Å; Y68-E249 PolarHBondContact OH-OE1 2.9Å
69L98.4Very high98.5Very high10 Ų1066 Ų665%0.05235%0.348CS..Hα-helixtrans-57.3-40.5174.4-77.8166000112.8L65 V72 K73 L118 V119 L123L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.87Å; L69-V72 PolarHBondContact O-N 2.96Å; L69-K73 PolarHBondContact O-N 3.15Å; L69-L118 HydrophobicContact CD2-CB 3.53Å; L69-L118 HydrophobicContact CD2-CD1 4.05Å; L69-L118 HydrophobicContact CD2-CG 4.48Å; L69-V119 HydrophobicContact CD1-CG2 4.11Å; L69-V119 HydrophobicContact CD2-CG2 3.99Å; L69-L123 HydrophobicContact CD1-CB 4.16Å; L69-L123 HydrophobicContact CD1-CD2 3.77Å; L69-L123 HydrophobicContact CD1-CG 4.39Å
70A98.7Very high98.5Very high59 Ų5965.8 Ų65.849%0.48834%0.342SS..Hα-helixtrans-64.3-40.3174.900000112.1R66 T67 Y68 K73 A74R66-A70 PolarHBondContact O-N 3.37Å; T67-A70 PolarHBondContact O-N 2.97Å; Y68-A70 VanDerWaalsContact C-N 3.3Å; Y68-A70 PolarHBondContact O-N 2.89Å; A70-K73 PolarHBondContact O-N 3.27Å; A70-A74 PolarHBondContact O-N 3.4Å
71S98.8Very high98.5Very high70 Ų7064.7 Ų64.749%0.4934%0.341SS..Hα-helixtrans-64.5-39.4173.4-620000112.6T67 Y68 A74 M75T67-S71 PolarHBondContact O-N 3.06Å; T67-S71 PolarHBondContact O-OG 3.42Å; Y68-S71 CarbonylContact O-C 3.56Å; Y68-S71 WeakPolarHBondContact O-CA 3.48Å; Y68-S71 WeakPolarHBondContact O-CB 3.42Å; Y68-S71 PolarHBondContact O-N 3.33Å; Y68-S71 VanDerWaalsContact O-N 3.08Å; S71-A74 PolarHBondContact O-N 3.39Å; S71-M75 WeakPolarHBondContact O-CB 3.43Å; S71-M75 PolarHBondContact O-N 3Å
72V98.6Very high98.5Very high9 Ų969.2 Ų69.26%0.05536%0.364CS..Hα-helixtrans-60.1-46.3174.1168.20000110.7Y68 L69 A74 M75 H76 W111 Y114 H115 L118Y68-V72 HydrophobicContact CD1-CG2 4.2Å; Y68-V72 HydrophobicContact CE1-CG2 3.92Å; Y68-V72 WeakPolarHBondContact O-CG2 3.35Å; Y68-V72 PolarHBondContact O-N 2.97Å; L69-V72 PolarHBondContact O-N 2.96Å; V72-A74 PolarHBondContact O-N 3.28Å; V72-M75 PolarHBondContact O-N 2.94Å; V72-H76 WeakPolarHBondContact O-CB 3.36Å; V72-H76 PolarHBondContact O-N 3.04Å; V72-W111 HydrophobicContact CG1-CE3 4.11Å; V72-W111 HydrophobicContact CG1-CZ3 4.06Å; V72-Y114 HydrophobicContact CG1-CD1 4Å; V72-Y114 HydrophobicContact CG1-CE1 4.1Å; V72-Y114 HydrophobicContact CG2-CE1 4.1Å; V72-H115 HydrophobicContact CG1-CB 4.09Å; V72-L118 HydrophobicContact CG2-CD1 4.33Å
73K98.4Very high98.4Very high115 Ų11568.9 Ų68.950%0.536%0.363SS..Hα-helixtrans-61.1-43.9173.8-68.4-167.9-175.3-169.10112.7L69 A70 M75 H76 E77 H115L69-K73 PolarHBondContact O-N 3.15Å; A70-K73 PolarHBondContact O-N 3.27Å; K73-M75 VanDerWaalsContact C-N 3.31Å; K73-M75 PolarHBondContact O-N 3.2Å; K73-H76 WeakPolarHBondContact O-CB 3.32Å; K73-H76 PolarHBondContact O-N 3.5Å; K73-E77 WeakPolarHBondContact O-CG 3.35Å; K73-E77 PolarHBondContact O-N 2.92Å; K73-H115 WeakPolarHBondContact CE-CE1 3.45Å; K73-H115 WeakPolarHBondContact CE-NE2 3.31Å
74A98.8Very high98.4Very high63 Ų6366 Ų6652%0.52135%0.353SS..Hα-helixtrans-64.2-37.5179.600000112.1A70 S71 V72 A78A70-A74 PolarHBondContact O-N 3.4Å; S71-A74 PolarHBondContact O-N 3.39Å; V72-A74 PolarHBondContact O-N 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 3.48Å; A74-A78 VanDerWaalsContact O-N 3.08Å
75M98.8Very high98.4Very high111 Ų11165.6 Ų65.655%0.54736%0.355SS..Hα-helixtrans-68.6-41.5175.2-171.560.866.800112.1S71 V72 K73 A78 S79 W111S71-M75 WeakPolarHBondContact O-CB 3.43Å; S71-M75 PolarHBondContact O-N 3Å; V72-M75 PolarHBondContact O-N 2.94Å; K73-M75 VanDerWaalsContact C-N 3.31Å; K73-M75 PolarHBondContact O-N 3.2Å; M75-A78 PolarHBondContact O-N 3.11Å; M75-S79 VanDerWaalsContact O-CB 3.3Å; M75-S79 WeakPolarHBondContact O-CB 3.38Å; M75-S79 PolarHBondContact O-N 3.4Å; M75-W111 HydrophobicContact CB-CH2 3.87Å; M75-W111 HydrophobicContact CB-CZ2 4.35Å; M75-W111 HydrophobicContact CB-CZ3 4.34Å; M75-W111 HydrophobicContact CG-CH2 3.37Å; M75-W111 HydrophobicContact CG-CZ2 3.62Å; M75-W111 HydrophobicContact CG-CZ3 4.3Å
76H98.6Very high98.3Very high21 Ų2167.3 Ų67.310%0.09736%0.364CS..Hα-helixtrans-56.9-52.1172.7170.7-154.1000111.5V72 K73 A78 S79 K80 D108 W111V72-H76 WeakPolarHBondContact O-CB 3.36Å; V72-H76 PolarHBondContact O-N 3.04Å; K73-H76 WeakPolarHBondContact O-CB 3.32Å; K73-H76 PolarHBondContact O-N 3.5Å; H76-A78 VanDerWaalsContact C-N 3.29Å; H76-A78 PolarHBondContact O-N 3.06Å; H76-S79 WeakPolarHBondContact O-CB 3.5Å; H76-S79 PolarHBondContact O-N 3.2Å; H76-K80 WeakPolarHBondContact O-CB 2.88Å; H76-K80 PolarHBondContact O-N 3.39Å; H76-D108 IonicContact CD2-OD1 3.59Å; H76-D108 IonicContact CE1-OD1 3.24Å; H76-D108 IonicContact NE2-OD1 2.68Å; H76-D108 PolarHBondContact NE2-OD1 3.41Å; H76-W111 HydrophobicContact CB-CB 3.81Å; H76-W111 HydrophobicContact CB-CD2 3.8Å; H76-W111 HydrophobicContact CB-CE3 4.04Å; H76-W111 HydrophobicContact CB-CG 3.73Å; H76-W111 WeakPolarHBondContact CD2-CB 3.21Å; H76-W111 AromaticContact CD2-CD1 3.7Å; H76-W111 AromaticContact CD2-CG 3.61Å; H76-W111 VanDerWaalsContact CG-CB 3.41Å; H76-W111 AromaticContact CG-CG 3.76Å
77E98.6Very high98.1Very high94 Ų9465.1 Ų65.144%0.43936%0.358SS..Hα-helixtrans-60.1-35.8177.6-73.4-69.5151.800113.1K73 K81K73-E77 WeakPolarHBondContact O-CG 3.35Å; K73-E77 PolarHBondContact O-N 2.92Å; E77-K81 WeakPolarHBondContact O-CG 3.43Å; E77-K81 PolarHBondContact O-N 2.82Å
78A98.7Very high98Very high54 Ų5469.1 Ų69.145%0.44637%0.371SS..Hα-helixtrans-71.2-43.6175.100000112.3A74 M75 H76 K80 K81 L82A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 3.48Å; A74-A78 VanDerWaalsContact O-N 3.08Å; M75-A78 PolarHBondContact O-N 3.11Å; H76-A78 VanDerWaalsContact C-N 3.29Å; H76-A78 PolarHBondContact O-N 3.06Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 2.88Å; A78-K81 PolarHBondContact O-N 3.48Å; A78-L82 PolarHBondContact O-N 2.87Å
79S98.4Very high97.9Very high26 Ų2670.3 Ų70.318%0.18239%0.386CS..Hα-helixtrans-58.6-44174.4-175.90000111.2M75 H76 L82 N83 N107 W111M75-S79 VanDerWaalsContact O-CB 3.3Å; M75-S79 WeakPolarHBondContact O-CB 3.38Å; M75-S79 PolarHBondContact O-N 3.4Å; H76-S79 WeakPolarHBondContact O-CB 3.5Å; H76-S79 PolarHBondContact O-N 3.2Å; S79-L82 PolarHBondContact O-N 3.46Å; S79-N83 PolarHBondContact O-N 3.38Å; S79-N83 PolarHBondContact O-ND2 3.13Å; S79-N107 PolarHBondContact OG-OD1 2.67Å; S79-W111 PolarHBondContact OG-NE1 2.76Å
80K98.1Very high97.7Very high61 Ų6170 Ų7027%0.26538%0.384SS..Hα-helixtrans-60.2-52.8177.5-172.6173.5-166.4140.20111.9H76 A78 L82 N83 E84 D108H76-K80 WeakPolarHBondContact O-CB 2.88Å; H76-K80 PolarHBondContact O-N 3.39Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 2.88Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 2.87Å; K80-N83 CarbonylContact O-C 3.54Å; K80-N83 WeakPolarHBondContact O-CB 3.35Å; K80-N83 PolarHBondContact O-N 3.33Å; K80-N83 VanDerWaalsContact O-N 3.08Å; K80-E84 WeakPolarHBondContact O-CG 3.44Å; K80-E84 PolarHBondContact O-N 2.87Å; K80-D108 WeakPolarHBondContact CD-OD1 3.23Å; K80-D108 IonicContact NZ-OD1 2.71Å; K80-D108 PolarHBondContact NZ-OD1 2.77Å; K80-D108 IonicContact NZ-OD2 3.69Å; K80-D108 PolarHBondContact NZ-OD2 3.23Å
81K98.4Very high97.4Very high119 Ų11972.1 Ų72.152%0.51738%0.384SS..Hα-helixtrans-61.3-35.6178.7-72.8168.6-174.7167.70113.2E77 A78 E84 C85E77-K81 WeakPolarHBondContact O-CG 3.43Å; E77-K81 PolarHBondContact O-N 2.82Å; A78-K81 PolarHBondContact O-N 3.48Å; K81-E84 PolarHBondContact O-N 2.75Å; K81-C85 PolarHBondContact O-N 2.92Å; K81-C85 PolarHBondContact O-SG 2.95Å
82L98.3Very high97.1Very high126 Ų12673.8 Ų73.866%0.6639%0.393SS*.Hα-helixtrans-66.2-40.1174.8-177.461000111.8A78 S79 K80 C85 L86A78-L82 PolarHBondContact O-N 2.87Å; S79-L82 PolarHBondContact O-N 3.46Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 2.87Å; L82-C85 PolarHBondContact O-N 2.81Å; L82-L86 PolarHBondContact O-N 3.06Å; L82-L86 VanDerWaalsContact O-N 3.08Å
83N96.9Very high96.7Very high26 Ų2679.7 Ų79.714%0.13942%0.424CS..Hα-helixtrans-68.1-39.2174-73.4-31.1000112.1S79 K80 L86 Q87 A104 N107S79-N83 PolarHBondContact O-N 3.38Å; S79-N83 PolarHBondContact O-ND2 3.13Å; K80-N83 CarbonylContact O-C 3.54Å; K80-N83 WeakPolarHBondContact O-CB 3.35Å; K80-N83 PolarHBondContact O-N 3.33Å; K80-N83 VanDerWaalsContact O-N 3.08Å; N83-L86 WeakPolarHBondContact O-CB 3.37Å; N83-L86 PolarHBondContact O-N 3.18Å; N83-Q87 VanDerWaalsContact O-CG 3.31Å; N83-Q87 WeakPolarHBondContact O-CG 2.83Å; N83-Q87 PolarHBondContact O-N 2.69Å; N83-A104 HydrophobicContact CB-CB 3.85Å; N83-N107 PolarHBondContact ND2-OD1 2.93Å
84E97.4Very high96.5Very high80 Ų8078.1 Ų78.137%0.37442%0.415SS..Hα-helixtrans-58.8-47.9172.9-71.3166.6172.200110.7K80 K81 L86 Q87 E88K80-E84 WeakPolarHBondContact O-CG 3.44Å; K80-E84 PolarHBondContact O-N 2.87Å; K81-E84 PolarHBondContact O-N 2.75Å; E84-L86 VanDerWaalsContact C-N 3.31Å; E84-L86 PolarHBondContact O-N 3.28Å; E84-Q87 CarbonylContact O-C 3.47Å; E84-Q87 WeakPolarHBondContact O-CB 3.31Å; E84-Q87 PolarHBondContact O-N 2.76Å; E84-Q87 VanDerWaalsContact O-N 3.09Å; E84-E88 WeakPolarHBondContact O-CG 3.4Å; E84-E88 PolarHBondContact O-N 3.36Å
85C98.1Very high96.1Very high71 Ų7176.6 Ų76.648%0.4840%0.4SS..Hα-helixtrans-58-40.4173.6-70.50000112.8K81 L82 E88 V89K81-C85 PolarHBondContact O-N 2.92Å; K81-C85 PolarHBondContact O-SG 2.95Å; L82-C85 PolarHBondContact O-N 2.81Å; C85-E88 PolarHBondContact O-N 2.89Å; C85-V89 WeakPolarHBondContact O-CG2 3.37Å; C85-V89 PolarHBondContact O-N 3.27Å
86L95.9Very high95.8Very high47 Ų4772.4 Ų72.425%0.24639%0.385CS..Hα-helixtrans-63.7-43.2174.8179.460.5000111.1L82 N83 E84 E88 V89 Y90 L263L82-L86 PolarHBondContact O-N 3.06Å; L82-L86 VanDerWaalsContact O-N 3.08Å; N83-L86 WeakPolarHBondContact O-CB 3.37Å; N83-L86 PolarHBondContact O-N 3.18Å; E84-L86 VanDerWaalsContact C-N 3.31Å; E84-L86 PolarHBondContact O-N 3.28Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 2.95Å; L86-V89 HydrophobicContact CD1-CG2 4.44Å; L86-V89 WeakPolarHBondContact O-CG2 3.47Å; L86-V89 PolarHBondContact O-N 3.46Å; L86-Y90 HydrophobicContact CD1-CD2 4.29Å; L86-Y90 WeakPolarHBondContact O-CB 3.24Å; L86-Y90 PolarHBondContact O-N 2.83Å; L86-L263 HydrophobicContact CD2-CD1 3.98Å; L86-L263 HydrophobicContact CD2-CD2 4.32Å
87Q95.1Very high95.6Very high54 Ų5473.8 Ų73.825%0.25239%0.389SS..Hα-helixtrans-65.3-29.9176.3-72.3177-6.700113.4N83 E84 R97 A104N83-Q87 VanDerWaalsContact O-CG 3.31Å; N83-Q87 WeakPolarHBondContact O-CG 2.83Å; N83-Q87 PolarHBondContact O-N 2.69Å; E84-Q87 CarbonylContact O-C 3.47Å; E84-Q87 WeakPolarHBondContact O-CB 3.31Å; E84-Q87 PolarHBondContact O-N 2.76Å; E84-Q87 VanDerWaalsContact O-N 3.09Å; Q87-R97 PolarHBondContact O-NH1 3.27Å; Q87-R97 PolarHBondContact O-NH2 3.38Å; Q87-A104 VanDerWaalsContact NE2-CB 3.26Å
88E96.5Very high95.4Very high162 Ų16275.1 Ų75.176%0.75740%0.399SS*.Hα-helixtrans-71.4-37.6175.5-74.4-178.6170.100112.3E84 C85 L86E84-E88 WeakPolarHBondContact O-CG 3.4Å; E84-E88 PolarHBondContact O-N 3.36Å; C85-E88 PolarHBondContact O-N 2.89Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 2.95Å
89V96.2Very high95.2Very high98 Ų9877.8 Ų77.859%0.59440%0.403SS*.Hα-helixtrans-90.4-12-177.7-55.50000114.6C85 L86 E91C85-V89 WeakPolarHBondContact O-CG2 3.37Å; C85-V89 PolarHBondContact O-N 3.27Å; L86-V89 HydrophobicContact CD1-CG2 4.44Å; L86-V89 WeakPolarHBondContact O-CG2 3.47Å; L86-V89 PolarHBondContact O-N 3.46Å; V89-E91 PolarHBondContact O-N 3.49Å
90Y94.4Very high95.1Very high5 Ų576.9 Ų76.92%0.0240%0.397CS..SBendtrans-80.7106.6177.7-148.2-69.7000109.6L86 W94 P95 R97 A100 L267 L270L86-Y90 HydrophobicContact CD1-CD2 4.29Å; L86-Y90 WeakPolarHBondContact O-CB 3.24Å; L86-Y90 PolarHBondContact O-N 2.83Å; Y90-W94 HydrophobicContact CD1-CB 3.77Å; Y90-W94 AromaticContact CD1-CE3 3.98Å; Y90-W94 HydrophobicContact CD1-CE3 3.98Å; Y90-W94 HydrophobicContact CE1-CB 3.47Å; Y90-W94 VanDerWaalsContact CE1-CB 3.47Å; Y90-W94 HydrophobicContact CE1-CE3 4.17Å; Y90-W94 HydrophobicContact CE1-CG 4.49Å; Y90-W94 HydrophobicContact CG-CE3 4.23Å; Y90-P95 PolarHBondContact OH-O 3.15Å; Y90-R97 HydrophobicContact CD1-CB 3.92Å; Y90-R97 HydrophobicContact CD1-CG 4.34Å; Y90-R97 HydrophobicContact CE1-CB 4Å; Y90-R97 PolarHBondContact O-NH1 2.64Å; Y90-A100 HydrophobicContact CE2-CB 4.49Å; Y90-L267 HydrophobicContact CE2-CD2 4.05Å; Y90-L270 HydrophobicContact CE1-CD1 4.49Å; Y90-L270 HydrophobicContact CE2-CD2 4.07Å
91E93.1Very high95Very high102 Ų10275.7 Ų75.748%0.47739%0.393SS..  trans-61.8147.7-175-63.7-70.717700112.3V89 D93 W94V89-E91 PolarHBondContact O-N 3.49Å; E91-D93 WeakPolarHBondContact CB-OD1 3.32Å; E91-D93 PolarHBondContact O-N 2.89Å; E91-W94 HydrophobicContact CB-CD2 3.96Å; E91-W94 HydrophobicContact CB-CG 3.92Å; E91-W94 HydrophobicContact CB-CZ2 4.37Å; E91-W94 HydrophobicContact CG-CD2 4.34Å; E91-W94 HydrophobicContact CG-CZ2 3.85Å; E91-W94 WeakPolarHBondContact O-CB 3.32Å; E91-W94 PolarHBondContact O-N 3.45Å; E91-W94 VanDerWaalsContact O-N 3.14Å
92P92.3Very high95Very high106 Ų10676.3 Ų76.369%0.68840%0.396SS*.THydrogen-bonded Turntrans-65.3-18.8-175.8-23.234.6000115.3
93D90.6Very high95Very high132 Ų13271.1 Ų71.171%0.70637%0.369SS*.THydrogen-bonded Turntrans-92.8-4.417870-33.7000113.4E91E91-D93 WeakPolarHBondContact CB-OD1 3.32Å; E91-D93 PolarHBondContact O-N 2.89Å
94W92.9Very high95Very high82 Ų8270.4 Ų70.431%0.31137%0.367SS..SBendtrans-77.3141.5-179.3-73.310.7000112.4Y90 E91 R97 L270 H274Y90-W94 HydrophobicContact CD1-CB 3.77Å; Y90-W94 AromaticContact CD1-CE3 3.98Å; Y90-W94 HydrophobicContact CD1-CE3 3.98Å; Y90-W94 HydrophobicContact CE1-CB 3.47Å; Y90-W94 VanDerWaalsContact CE1-CB 3.47Å; Y90-W94 HydrophobicContact CE1-CE3 4.17Å; Y90-W94 HydrophobicContact CE1-CG 4.49Å; Y90-W94 HydrophobicContact CG-CE3 4.23Å; E91-W94 HydrophobicContact CB-CD2 3.96Å; E91-W94 HydrophobicContact CB-CG 3.92Å; E91-W94 HydrophobicContact CB-CZ2 4.37Å; E91-W94 HydrophobicContact CG-CD2 4.34Å; E91-W94 HydrophobicContact CG-CZ2 3.85Å; E91-W94 WeakPolarHBondContact O-CB 3.32Å; E91-W94 PolarHBondContact O-N 3.45Å; E91-W94 VanDerWaalsContact O-N 3.14Å; W94-R97 PolarHBondContact O-N 3.22Å; W94-L270 HydrophobicContact CB-CD1 3.81Å; W94-L270 HydrophobicContact CD2-CD1 3.93Å; W94-L270 HydrophobicContact CE3-CD1 3.83Å; W94-L270 HydrophobicContact CE3-CD2 3.67Å; W94-L270 HydrophobicContact CE3-CG 4.36Å; W94-L270 HydrophobicContact CG-CD1 3.95Å; W94-L270 HydrophobicContact CZ3-CD2 3.95Å; W94-H274 AromaticContact CD1-CE1 3.91Å; W94-H274 AromaticContact CD1-NE2 3.85Å; W94-H274 AromaticContact CE2-CE1 3.93Å; W94-H274 AromaticContact CG-NE2 3.98Å; W94-H274 AromaticContact NE1-CE1 3.62Å; W94-H274 AromaticContact NE1-NE2 3.96Å
95P91.3Very high95Very high32 Ų3272.5 Ų72.521%0.20838%0.377CS..THydrogen-bonded Turntrans-62138.4179.829.7-39.5000111.4Y90 L270 Q273Y90-P95 PolarHBondContact OH-O 3.15Å; P95-L270 HydrophobicContact CG-CD1 3.8Å; P95-Q273 HydrophobicContact CG-CB 4.26Å; P95-Q273 HydrophobicContact CG-CG 4.22Å
96G92.8Very high95Very high22 Ų2272.2 Ų72.223%0.22737%0.37CS..THydrogen-bonded Turntrans80.29.9176.600000115.4D98 E99 A100G96-D98 VanDerWaalsContact C-N 3.34Å; G96-D98 PolarHBondContact O-N 2.6Å; G96-E99 WeakPolarHBondContact CA-OE2 3.48Å; G96-E99 PolarHBondContact O-N 2.87Å; G96-A100 WeakPolarHBondContact O-CB 3.43Å; G96-A100 PolarHBondContact O-N 3.39Å
97R92.9Very high95.1Very high50 Ų5070.4 Ų70.419%0.18936%0.361CS..Hα-helixtrans-55.9-45.4175.6175.866-146.6-123.25.1112.4Q87 Y90 W94 A100 N101Q87-R97 PolarHBondContact O-NH1 3.27Å; Q87-R97 PolarHBondContact O-NH2 3.38Å; Y90-R97 HydrophobicContact CD1-CB 3.92Å; Y90-R97 HydrophobicContact CD1-CG 4.34Å; Y90-R97 HydrophobicContact CE1-CB 4Å; Y90-R97 PolarHBondContact O-NH1 2.64Å; W94-R97 PolarHBondContact O-N 3.22Å; R97-A100 PolarHBondContact O-N 2.97Å; R97-N101 PolarHBondContact NE-ND2 2.75Å; R97-N101 PolarHBondContact NE-OD1 3.44Å; R97-N101 PolarHBondContact NH2-OD1 3.2Å; R97-N101 PolarHBondContact O-N 2.9Å; R97-N101 PolarHBondContact O-ND2 2.73Å
98D94.9Very high95.3Very high122 Ų12269.5 Ų69.565%0.65236%0.358SS*.Hα-helixtrans-70.7-39.4-179.6-70.8-27.6000111.9G96 N101 K102G96-D98 VanDerWaalsContact C-N 3.34Å; G96-D98 PolarHBondContact O-N 2.6Å; D98-N101 PolarHBondContact O-N 3.12Å; D98-K102 WeakPolarHBondContact O-CB 3.27Å; D98-K102 PolarHBondContact O-N 2.89Å
99E95.6Very high95.4Very high111 Ų11167 Ų6752%0.51935%0.349SS..Hα-helixtrans-60.1-44.7170.8-75.570.7-159.200112G96 K102 I103 V266G96-E99 WeakPolarHBondContact CA-OE2 3.48Å; G96-E99 PolarHBondContact O-N 2.87Å; E99-K102 PolarHBondContact O-N 3.33Å; E99-I103 WeakPolarHBondContact O-CD1 3.15Å; E99-I103 WeakPolarHBondContact O-CG1 3.47Å; E99-I103 PolarHBondContact O-N 3.2Å; E99-V266 HydrophobicContact CB-CG2 3.81Å
100A95.7Very high95.5Very high7 Ų763.3 Ų63.36%0.05833%0.326CS..Hα-helixtrans-62.6-43.9176.700000112.2Y90 G96 R97 K102 I103 A104 V266Y90-A100 HydrophobicContact CE2-CB 4.49Å; G96-A100 WeakPolarHBondContact O-CB 3.43Å; G96-A100 PolarHBondContact O-N 3.39Å; R97-A100 PolarHBondContact O-N 2.97Å; A100-K102 PolarHBondContact O-N 3.02Å; A100-I103 PolarHBondContact O-N 2.87Å; A100-A104 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-N 3.12Å; A100-V266 HydrophobicContact CB-CG1 4.34Å
101N95.9Very high95.7Very high35 Ų3564.2 Ų64.219%0.18733%0.329CS..Hα-helixtrans-56.6-49.8173.4-68.5-23.5000110.7R97 D98 I103 A104 E105R97-N101 PolarHBondContact NE-ND2 2.75Å; R97-N101 PolarHBondContact NE-OD1 3.44Å; R97-N101 PolarHBondContact NH2-OD1 3.2Å; R97-N101 PolarHBondContact O-N 2.9Å; R97-N101 PolarHBondContact O-ND2 2.73Å; D98-N101 PolarHBondContact O-N 3.12Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.46Å; N101-A104 WeakPolarHBondContact O-CB 3.48Å; N101-A104 PolarHBondContact O-N 2.7Å; N101-E105 PolarHBondContact O-N 3.27Å
102K97.8Very high96Very high133 Ų13364.5 Ų64.558%0.57833%0.332SS*.Hα-helixtrans-64.3-33.5179.7-174.4175.1-177.2176.20113.5D98 E99 A100 N106D98-K102 WeakPolarHBondContact O-CB 3.27Å; D98-K102 PolarHBondContact O-N 2.89Å; E99-K102 PolarHBondContact O-N 3.33Å; A100-K102 PolarHBondContact O-N 3.02Å; K102-N106 WeakPolarHBondContact O-CB 3.42Å; K102-N106 VanDerWaalsContact O-CG 3.27Å; K102-N106 PolarHBondContact O-N 2.89Å; K102-N106 PolarHBondContact O-ND2 3.47Å
103I97.9Very high96.3Very high16 Ų1662.5 Ų62.58%0.08232%0.315CS..Hα-helixtrans-66.8-41.3174.7-69.7158.3000110.5E99 A100 N101 N106 N107 L259 N262 L263 V266E99-I103 WeakPolarHBondContact O-CD1 3.15Å; E99-I103 WeakPolarHBondContact O-CG1 3.47Å; E99-I103 PolarHBondContact O-N 3.2Å; A100-I103 PolarHBondContact O-N 2.87Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.46Å; I103-N106 PolarHBondContact O-N 3.41Å; I103-N107 WeakPolarHBondContact O-CB 3.26Å; I103-N107 PolarHBondContact O-N 2.91Å; I103-L259 HydrophobicContact CG2-CB 4.3Å; I103-L259 HydrophobicContact CG2-CD2 4.49Å; I103-N262 HydrophobicContact CD1-CB 3.79Å; I103-N262 HydrophobicContact CG1-CB 4.2Å; I103-L263 HydrophobicContact CD1-CB 4.44Å; I103-L263 HydrophobicContact CG2-CB 4.24Å; I103-V266 HydrophobicContact CD1-CG2 4.13Å
104A97.8Very high96.7Very high12 Ų1256.6 Ų56.610%0.09928%0.283CS..Hα-helixtrans-65.7-40.6175.800000112.7N83 Q87 A100 N101 N107 D108N83-A104 HydrophobicContact CB-CB 3.85Å; Q87-A104 VanDerWaalsContact NE2-CB 3.26Å; A100-A104 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-N 3.12Å; N101-A104 WeakPolarHBondContact O-CB 3.48Å; N101-A104 PolarHBondContact O-N 2.7Å; A104-N107 WeakPolarHBondContact O-CB 3.46Å; A104-N107 PolarHBondContact O-N 3.26Å; A104-D108 PolarHBondContact O-N 3.27Å
105E97.9Very high96.9Very high124 Ų12453.8 Ų53.858%0.57927%0.274SS*.Hα-helixtrans-60.5-45.1172.6-70.7176176.800111.8N101 N107 D108 L109N101-E105 PolarHBondContact O-N 3.27Å; E105-N107 VanDerWaalsContact C-N 3.3Å; E105-N107 PolarHBondContact O-N 3.44Å; E105-D108 WeakPolarHBondContact O-CB 3.42Å; E105-D108 PolarHBondContact O-N 2.94Å; E105-L109 WeakPolarHBondContact O-CG 3.36Å; E105-L109 PolarHBondContact O-N 3.08Å
106N98.2Very high97.3Very high65 Ų6556.7 Ų56.735%0.34828%0.284SS..Hα-helixtrans-65.8-31.8175.9-71.1-42.4000112.7K102 I103 L110 L259K102-N106 WeakPolarHBondContact O-CB 3.42Å; K102-N106 VanDerWaalsContact O-CG 3.27Å; K102-N106 PolarHBondContact O-N 2.89Å; K102-N106 PolarHBondContact O-ND2 3.47Å; I103-N106 PolarHBondContact O-N 3.41Å; N106-L110 VanDerWaalsContact O-CB 3.23Å; N106-L110 WeakPolarHBondContact O-CB 3.36Å; N106-L110 PolarHBondContact O-N 2.86Å; N106-L259 HydrophobicContact CB-CD1 4.24Å; N106-L259 HydrophobicContact CB-CD2 3.74Å
107N98.3Very high97.5Very high9 Ų958.8 Ų58.85%0.04829%0.287CS..Hα-helixtrans-65-45.6173.8-178.7-93.6000111S79 N83 I103 A104 E105 L110 W111 M256 L259S79-N107 PolarHBondContact OG-OD1 2.67Å; N83-N107 PolarHBondContact ND2-OD1 2.93Å; I103-N107 WeakPolarHBondContact O-CB 3.26Å; I103-N107 PolarHBondContact O-N 2.91Å; A104-N107 WeakPolarHBondContact O-CB 3.46Å; A104-N107 PolarHBondContact O-N 3.26Å; E105-N107 VanDerWaalsContact C-N 3.3Å; E105-N107 PolarHBondContact O-N 3.44Å; N107-L110 PolarHBondContact O-N 2.84Å; N107-W111 PolarHBondContact O-N 3.42Å; N107-M256 WeakPolarHBondContact ND2-CE 3.5Å; N107-M256 PolarHBondContact ND2-SD 3.39Å; N107-L259 HydrophobicContact CB-CD1 4.25Å
108D98.4Very high97.8Very high35 Ų3556.4 Ų56.419%0.18728%0.278CS..Hα-helixtrans-59.2-49.6176-159.441.8000110.9H76 K80 A104 E105 L110 W111 M112H76-D108 IonicContact CD2-OD1 3.59Å; H76-D108 IonicContact CE1-OD1 3.24Å; H76-D108 IonicContact NE2-OD1 2.68Å; H76-D108 PolarHBondContact NE2-OD1 3.41Å; K80-D108 WeakPolarHBondContact CD-OD1 3.23Å; K80-D108 IonicContact NZ-OD1 2.71Å; K80-D108 PolarHBondContact NZ-OD1 2.77Å; K80-D108 IonicContact NZ-OD2 3.69Å; K80-D108 PolarHBondContact NZ-OD2 3.23Å; A104-D108 PolarHBondContact O-N 3.27Å; E105-D108 WeakPolarHBondContact O-CB 3.42Å; E105-D108 PolarHBondContact O-N 2.94Å; D108-L110 PolarHBondContact O-N 3.38Å; D108-W111 PolarHBondContact O-N 3.04Å; D108-M112 WeakPolarHBondContact O-CG 3.5Å; D108-M112 PolarHBondContact O-N 2.96Å
109L98.5Very high97.9Very high108 Ų10852.4 Ų52.457%0.56526%0.258SS*.Hα-helixtrans-61.4-41.7177.2-69.6173.5000113E105 M112 D113E105-L109 WeakPolarHBondContact O-CG 3.36Å; E105-L109 PolarHBondContact O-N 3.08Å; L109-M112 PolarHBondContact O-N 2.94Å; L109-D113 WeakPolarHBondContact O-CB 3.41Å; L109-D113 PolarHBondContact O-N 2.87Å
110L98.6Very high98Very high22 Ų2251 Ų5112%0.11525%0.254CS..Hα-helixtrans-66.8-40.2-179.9179.661.2000112N106 N107 D108 Y114 F252 E255 M256 L259N106-L110 VanDerWaalsContact O-CB 3.23Å; N106-L110 WeakPolarHBondContact O-CB 3.36Å; N106-L110 PolarHBondContact O-N 2.86Å; N107-L110 PolarHBondContact O-N 2.84Å; D108-L110 PolarHBondContact O-N 3.38Å; L110-Y114 VanDerWaalsContact O-CB 3.27Å; L110-Y114 WeakPolarHBondContact O-CB 3.45Å; L110-Y114 PolarHBondContact O-N 2.9Å; L110-F252 HydrophobicContact CD1-CD2 4.17Å; L110-F252 HydrophobicContact CD2-CD2 4.31Å; L110-F252 HydrophobicContact CD2-CE2 4.36Å; L110-F252 HydrophobicContact CG-CD2 3.83Å; L110-F252 HydrophobicContact CG-CE2 3.97Å; L110-E255 HydrophobicContact CD1-CB 4.05Å; L110-E255 HydrophobicContact CD2-CB 3.83Å; L110-M256 HydrophobicContact CD2-CB 4.05Å; L110-M256 HydrophobicContact CD2-CE 3.9Å; L110-M256 HydrophobicContact CD2-SD 4.45Å; L110-M256 HydrophobicContact CG-CE 4.41Å; L110-L259 HydrophobicContact CB-CD1 4.47Å; L110-L259 HydrophobicContact CD2-CD1 3.85Å
111W98.8Very high97.9Very high24 Ų2454.8 Ų54.89%0.09127%0.271CS..Hα-helixtrans-63.9-44.1173.1-83.4117.3000112.2V72 M75 H76 S79 N107 D108 Y114 H115 F252 M256V72-W111 HydrophobicContact CG1-CE3 4.11Å; V72-W111 HydrophobicContact CG1-CZ3 4.06Å; M75-W111 HydrophobicContact CB-CH2 3.87Å; M75-W111 HydrophobicContact CB-CZ2 4.35Å; M75-W111 HydrophobicContact CB-CZ3 4.34Å; M75-W111 HydrophobicContact CG-CH2 3.37Å; M75-W111 HydrophobicContact CG-CZ2 3.62Å; M75-W111 HydrophobicContact CG-CZ3 4.3Å; H76-W111 HydrophobicContact CB-CB 3.81Å; H76-W111 HydrophobicContact CB-CD2 3.8Å; H76-W111 HydrophobicContact CB-CE3 4.04Å; H76-W111 HydrophobicContact CB-CG 3.73Å; H76-W111 WeakPolarHBondContact CD2-CB 3.21Å; H76-W111 AromaticContact CD2-CD1 3.7Å; H76-W111 AromaticContact CD2-CG 3.61Å; H76-W111 VanDerWaalsContact CG-CB 3.41Å; H76-W111 AromaticContact CG-CG 3.76Å; S79-W111 PolarHBondContact OG-NE1 2.76Å; N107-W111 PolarHBondContact O-N 3.42Å; D108-W111 PolarHBondContact O-N 3.04Å; W111-Y114 HydrophobicContact CE3-CD1 4.44Å; W111-Y114 PolarHBondContact O-N 2.81Å; W111-H115 WeakPolarHBondContact O-CB 3.35Å; W111-H115 PolarHBondContact O-N 3.38Å; W111-F252 AromaticContact CD2-CE2 3.89Å; W111-F252 HydrophobicContact CD2-CE2 3.89Å; W111-F252 AromaticContact CD2-CZ 3.7Å; W111-F252 HydrophobicContact CD2-CZ 3.7Å; W111-F252 AromaticContact CE2-CZ 3.79Å; W111-F252 HydrophobicContact CE3-CE1 4.43Å; W111-F252 AromaticContact CE3-CE2 3.79Å; W111-F252 HydrophobicContact CE3-CE2 3.79Å; W111-F252 AromaticContact CE3-CZ 3.5Å; W111-F252 HydrophobicContact CE3-CZ 3.5Å; W111-F252 HydrophobicContact CG-CE2 4.37Å; W111-F252 AromaticContact CH2-CE1 3.94Å; W111-F252 HydrophobicContact CH2-CE1 3.94Å; W111-F252 AromaticContact CH2-CZ 3.49Å; W111-F252 HydrophobicContact CH2-CZ 3.49Å; W111-F252 VanDerWaalsContact CH2-CZ 3.49Å; W111-F252 HydrophobicContact CZ2-CE1 4.46Å; W111-F252 AromaticContact CZ2-CZ 3.71Å; W111-F252 HydrophobicContact CZ2-CZ 3.71Å; W111-F252 AromaticContact CZ3-CE1 3.93Å; W111-F252 HydrophobicContact CZ3-CE1 3.93Å; W111-F252 HydrophobicContact CZ3-CE2 4.14Å; W111-F252 AromaticContact CZ3-CZ 3.39Å; W111-F252 HydrophobicContact CZ3-CZ 3.39Å; W111-M256 HydrophobicContact CD2-CE 4.39Å; W111-M256 HydrophobicContact CG-CE 4.45Å; W111-M256 HydrophobicContact CZ2-CE 4.35Å
112M98.5Very high97.9Very high107 Ų10753.1 Ų53.153%0.52726%0.262SS..Hα-helixtrans-62.5-47.4178.2-71.8-175.174.200112.2D108 L109 Q116D108-M112 WeakPolarHBondContact O-CG 3.5Å; D108-M112 PolarHBondContact O-N 2.96Å; L109-M112 PolarHBondContact O-N 2.94Å; M112-Q116 VanDerWaalsContact O-CB 3.28Å; M112-Q116 WeakPolarHBondContact O-CB 3.18Å; M112-Q116 PolarHBondContact O-N 2.81Å
113D98.5Very high97.9Very high65 Ų6547.7 Ų47.735%0.34824%0.239SC..Hα-helixtrans-61-44.9177.2173.876.6000111.9L109 Q116 K117L109-D113 WeakPolarHBondContact O-CB 3.41Å; L109-D113 PolarHBondContact O-N 2.87Å; D113-Q116 PolarHBondContact O-N 3.49Å; D113-K117 WeakPolarHBondContact O-CB 3.45Å; D113-K117 WeakPolarHBondContact O-CG 3.48Å; D113-K117 PolarHBondContact O-N 2.91Å; D113-K117 WeakPolarHBondContact OD1-CE 3.41Å; D113-K117 IonicContact OD1-NZ 2.63Å; D113-K117 PolarHBondContact OD1-NZ 2.97Å; D113-K117 WeakPolarHBondContact OD2-CE 3.5Å; D113-K117 IonicContact OD2-NZ 2.73Å; D113-K117 PolarHBondContact OD2-NZ 2.89Å
114Y98.7Very high97.8Very high7 Ų751.7 Ų51.73%0.02726%0.26CS..Hα-helixtrans-63-49.1178.1174.9-123.7000112.5Y68 V72 L110 W111 Q116 K117 L118 L248 E249 F252Y68-Y114 PolarHBondContact OH-OH 3.29Å; V72-Y114 HydrophobicContact CG1-CD1 4Å; V72-Y114 HydrophobicContact CG1-CE1 4.1Å; V72-Y114 HydrophobicContact CG2-CE1 4.1Å; L110-Y114 VanDerWaalsContact O-CB 3.27Å; L110-Y114 WeakPolarHBondContact O-CB 3.45Å; L110-Y114 PolarHBondContact O-N 2.9Å; W111-Y114 HydrophobicContact CE3-CD1 4.44Å; W111-Y114 PolarHBondContact O-N 2.81Å; Y114-Q116 VanDerWaalsContact C-N 3.34Å; Y114-Q116 PolarHBondContact O-N 3.07Å; Y114-K117 PolarHBondContact O-N 3.46Å; Y114-L118 HydrophobicContact CD1-CD1 4.3Å; Y114-L118 HydrophobicContact CD2-CD1 4.35Å; Y114-L118 HydrophobicContact CD2-CG 4.34Å; Y114-L118 HydrophobicContact CE1-CD1 3.8Å; Y114-L118 HydrophobicContact CE2-CD1 3.85Å; Y114-L118 HydrophobicContact CE2-CD2 4.26Å; Y114-L118 HydrophobicContact CE2-CG 3.95Å; Y114-L118 WeakPolarHBondContact O-CG 3.41Å; Y114-L118 PolarHBondContact O-N 2.9Å; Y114-L248 HydrophobicContact CD2-CB 4.2Å; Y114-L248 HydrophobicContact CE2-CB 3.9Å; Y114-E249 HydrophobicContact CE2-CB 4.43Å; Y114-F252 HydrophobicContact CD1-CB 4.26Å; Y114-F252 AromaticContact CD1-CD1 4Å; Y114-F252 HydrophobicContact CD1-CD1 4Å; Y114-F252 AromaticContact CD1-CD2 3.72Å; Y114-F252 HydrophobicContact CD1-CD2 3.72Å; Y114-F252 HydrophobicContact CD1-CE1 4.3Å; Y114-F252 HydrophobicContact CD1-CE2 4.02Å; Y114-F252 AromaticContact CD1-CG 3.7Å; Y114-F252 HydrophobicContact CD1-CG 3.7Å; Y114-F252 HydrophobicContact CD1-CZ 4.31Å; Y114-F252 HydrophobicContact CD2-CB 3.57Å; Y114-F252 HydrophobicContact CD2-CD2 4.29Å; Y114-F252 AromaticContact CD2-CG 3.95Å; Y114-F252 HydrophobicContact CD2-CG 3.95Å; Y114-F252 AromaticContact CE1-CD1 3.97Å; Y114-F252 HydrophobicContact CE1-CD1 3.97Å; Y114-F252 HydrophobicContact CE1-CD2 4.49Å; Y114-F252 HydrophobicContact CE1-CE1 4.33Å; Y114-F252 HydrophobicContact CE1-CG 4.06Å; Y114-F252 HydrophobicContact CE2-CB 3.88Å; Y114-F252 HydrophobicContact CE2-CG 4.3Å; Y114-F252 HydrophobicContact CG-CB 3.77Å; Y114-F252 HydrophobicContact CG-CD1 4.36Å; Y114-F252 AromaticContact CG-CD2 3.58Å; Y114-F252 HydrophobicContact CG-CD2 3.58Å; Y114-F252 HydrophobicContact CG-CE2 4.28Å; Y114-F252 AromaticContact CG-CG 3.63Å; Y114-F252 HydrophobicContact CG-CG 3.63Å
115H98.6Very high97.6Very high24 Ų2454.1 Ų54.111%0.11127%0.274CS..Hα-helixtrans-59-46176173.7-78.4000111.4V72 K73 W111 L118 V119V72-H115 HydrophobicContact CG1-CB 4.09Å; K73-H115 WeakPolarHBondContact CE-CE1 3.45Å; K73-H115 WeakPolarHBondContact CE-NE2 3.31Å; W111-H115 WeakPolarHBondContact O-CB 3.35Å; W111-H115 PolarHBondContact O-N 3.38Å; H115-L118 PolarHBondContact O-N 3.23Å; H115-V119 VanDerWaalsContact CE1-CG2 3.47Å; H115-V119 WeakPolarHBondContact CE1-CG2 3.27Å; H115-V119 PolarHBondContact O-N 3Å; H115-V119 VanDerWaalsContact O-N 3.12Å
116Q98.4Very high97.5Very high92 Ų9248.2 Ų48.243%0.4325%0.246SC..Hα-helixtrans-63.3-43.6-179-172.457.143.600111.5M112 D113 Y114 L118 V119 D120M112-Q116 VanDerWaalsContact O-CB 3.28Å; M112-Q116 WeakPolarHBondContact O-CB 3.18Å; M112-Q116 PolarHBondContact O-N 2.81Å; D113-Q116 PolarHBondContact O-N 3.49Å; Y114-Q116 VanDerWaalsContact C-N 3.34Å; Y114-Q116 PolarHBondContact O-N 3.07Å; Q116-L118 PolarHBondContact O-N 2.93Å; Q116-V119 WeakPolarHBondContact O-CB 3.5Å; Q116-V119 PolarHBondContact O-N 3.22Å; Q116-V119 VanDerWaalsContact O-N 3.13Å; Q116-D120 WeakPolarHBondContact CG-OD2 3.34Å; Q116-D120 PolarHBondContact NE2-OD1 3.16Å; Q116-D120 PolarHBondContact NE2-OD2 3.34Å; Q116-D120 PolarHBondContact O-N 3.5Å
117K98.3Very high97.4Very high66 Ų6647.8 Ų47.829%0.28724%0.244SC..Hα-helixtrans-63.3-36.8175.9-74.9170.7177.31610113.2D113 Y114 V119 D120 Q121 L248D113-K117 WeakPolarHBondContact O-CB 3.45Å; D113-K117 WeakPolarHBondContact O-CG 3.48Å; D113-K117 PolarHBondContact O-N 2.91Å; D113-K117 WeakPolarHBondContact OD1-CE 3.41Å; D113-K117 IonicContact OD1-NZ 2.63Å; D113-K117 PolarHBondContact OD1-NZ 2.97Å; D113-K117 WeakPolarHBondContact OD2-CE 3.5Å; D113-K117 IonicContact OD2-NZ 2.73Å; D113-K117 PolarHBondContact OD2-NZ 2.89Å; Y114-K117 PolarHBondContact O-N 3.46Å; K117-V119 VanDerWaalsContact C-N 3.33Å; K117-D120 PolarHBondContact O-N 3.09Å; K117-Q121 VanDerWaalsContact O-CB 3.25Å; K117-Q121 WeakPolarHBondContact O-CB 3.27Å; K117-Q121 WeakPolarHBondContact O-CG 3.08Å; K117-Q121 PolarHBondContact O-N 3.24Å; K117-L248 HydrophobicContact CB-CD1 3.87Å; K117-L248 HydrophobicContact CB-CD2 3.62Å; K117-L248 HydrophobicContact CB-CG 4.39Å; K117-L248 HydrophobicContact CD-CD2 3.8Å; K117-L248 HydrophobicContact CG-CD2 4.22Å
118L98.3Very high97.4Very high0 Ų051.7 Ų51.70%027%0.268CS..Iπ-helixtrans-63.4-38.7173.1-74.3170.6000111.9Y68 L69 V72 Y114 H115 Q116 A122 L123 I245 L248Y68-L118 HydrophobicContact CD1-CD1 4.33Å; Y68-L118 HydrophobicContact CE1-CD1 3.79Å; Y68-L118 HydrophobicContact CE1-CD2 4.46Å; L69-L118 HydrophobicContact CD2-CB 3.53Å; L69-L118 HydrophobicContact CD2-CD1 4.05Å; L69-L118 HydrophobicContact CD2-CG 4.48Å; V72-L118 HydrophobicContact CG2-CD1 4.33Å; Y114-L118 HydrophobicContact CD1-CD1 4.3Å; Y114-L118 HydrophobicContact CD2-CD1 4.35Å; Y114-L118 HydrophobicContact CD2-CG 4.34Å; Y114-L118 HydrophobicContact CE1-CD1 3.8Å; Y114-L118 HydrophobicContact CE2-CD1 3.85Å; Y114-L118 HydrophobicContact CE2-CD2 4.26Å; Y114-L118 HydrophobicContact CE2-CG 3.95Å; Y114-L118 WeakPolarHBondContact O-CG 3.41Å; Y114-L118 PolarHBondContact O-N 2.9Å; H115-L118 PolarHBondContact O-N 3.23Å; Q116-L118 PolarHBondContact O-N 2.93Å; L118-A122 WeakPolarHBondContact O-CB 3.28Å; L118-A122 PolarHBondContact O-N 3.29Å; L118-A122 VanDerWaalsContact O-N 3.13Å; L118-L123 PolarHBondContact O-N 2.83Å; L118-I245 HydrophobicContact CD2-CB 4.47Å; L118-I245 HydrophobicContact CD2-CG1 4.19Å; L118-I245 HydrophobicContact CD2-CG2 4.29Å; L118-L248 HydrophobicContact CD2-CB 4.46Å; L118-L248 HydrophobicContact CD2-CD1 4.03Å; L118-L248 HydrophobicContact CG-CD1 4.34Å
119V98.2Very high97.3Very high39 Ų3950.6 Ų50.624%0.23626%0.262CS..Iπ-helixtrans-63.3-52.7173.7172.50000110.7L69 H115 Q116 K117 L123 L124L69-V119 HydrophobicContact CD1-CG2 4.11Å; L69-V119 HydrophobicContact CD2-CG2 3.99Å; H115-V119 VanDerWaalsContact CE1-CG2 3.47Å; H115-V119 WeakPolarHBondContact CE1-CG2 3.27Å; H115-V119 PolarHBondContact O-N 3Å; H115-V119 VanDerWaalsContact O-N 3.12Å; Q116-V119 WeakPolarHBondContact O-CB 3.5Å; Q116-V119 PolarHBondContact O-N 3.22Å; Q116-V119 VanDerWaalsContact O-N 3.13Å; K117-V119 VanDerWaalsContact C-N 3.33Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 PolarHBondContact O-N 2.99Å; V119-L124 PolarHBondContact O-N 2.97Å
120D96.8Very high97.3Very high81 Ų8146.2 Ų46.243%0.43324%0.239SC..Iπ-helixtrans-74.9-31.9-170.6-63.5-27.2000113.5Q116 K117 L124Q116-D120 WeakPolarHBondContact CG-OD2 3.34Å; Q116-D120 PolarHBondContact NE2-OD1 3.16Å; Q116-D120 PolarHBondContact NE2-OD2 3.34Å; Q116-D120 PolarHBondContact O-N 3.5Å; K117-D120 PolarHBondContact O-N 3.09Å; D120-L124 WeakPolarHBondContact O-CB 3.15Å
121Q94.5Very high97.2Very high86 Ų8647.7 Ų47.740%0.40226%0.259SS..Iπ-helixtrans-100.6-36.2-174.4-56.5-175.916.100113.3K117 T125 L248K117-Q121 VanDerWaalsContact O-CB 3.25Å; K117-Q121 WeakPolarHBondContact O-CB 3.27Å; K117-Q121 WeakPolarHBondContact O-CG 3.08Å; K117-Q121 PolarHBondContact O-N 3.24Å; Q121-T125 WeakPolarHBondContact O-CB 3.46Å; Q121-T125 PolarHBondContact O-OG1 2.9Å; Q121-L248 HydrophobicContact CB-CD1 4.34Å
122A95.3Very high97.1Very high0 Ų050.9 Ų50.90%028%0.275CS..Iπ-helixtrans-100.7-52.6-178.800000112.4L65 L118 T125 M126 I245L65-A122 HydrophobicContact CD2-CB 4.08Å; L118-A122 WeakPolarHBondContact O-CB 3.28Å; L118-A122 PolarHBondContact O-N 3.29Å; L118-A122 VanDerWaalsContact O-N 3.13Å; A122-T125 PolarHBondContact O-N 2.93Å; A122-M126 WeakPolarHBondContact O-CB 3.46Å; A122-M126 PolarHBondContact O-N 3.44Å; A122-I245 HydrophobicContact CB-CD1 4.18Å; A122-I245 HydrophobicContact CB-CG1 3.69Å
123L96.6Very high97.1Very high20 Ų2045.9 Ų45.911%0.10525%0.25CS..Iπ-helixtrans-71.1-42.2-175.2-172.568.2000112.6Q62 L65 R66 L69 L118 V119 T125 M126 D127Q62-L123 HydrophobicContact CG-CD1 4.48Å; L65-L123 HydrophobicContact CD2-CB 4.21Å; L65-L123 HydrophobicContact CD2-CD1 4.04Å; L65-L123 HydrophobicContact CG-CD1 4.29Å; R66-L123 HydrophobicContact CG-CD1 3.71Å; R66-L123 HydrophobicContact CG-CD2 4.19Å; L69-L123 HydrophobicContact CD1-CB 4.16Å; L69-L123 HydrophobicContact CD1-CD2 3.77Å; L69-L123 HydrophobicContact CD1-CG 4.39Å; L118-L123 PolarHBondContact O-N 2.83Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 PolarHBondContact O-N 2.99Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-T125 PolarHBondContact O-N 3.48Å; L123-M126 VanDerWaalsContact O-CB 3.31Å; L123-M126 WeakPolarHBondContact O-CB 3.47Å; L123-M126 PolarHBondContact O-N 3.34Å; L123-D127 PolarHBondContact O-N 3.35Å
124L96Very high97.1Very high100 Ų10046.8 Ų46.852%0.52426%0.26SS..Hα-helixtrans-62.7-38.2176.7-17861.1000112.1V119 D120 D127 T128V119-L124 PolarHBondContact O-N 2.97Å; D120-L124 WeakPolarHBondContact O-CB 3.15Å; L124-D127 PolarHBondContact O-N 3.03Å; L124-T128 WeakPolarHBondContact O-CB 3.37Å; L124-T128 PolarHBondContact O-N 3.27Å; L124-T128 PolarHBondContact O-OG1 3.23Å
125T93.8Very high97Very high62 Ų6251 Ų5138%0.3828%0.283SS..Hα-helixtrans-64.5-41.8174.4-56.70000111.4Q121 A122 L123 Y129 F237Q121-T125 WeakPolarHBondContact O-CB 3.46Å; Q121-T125 PolarHBondContact O-OG1 2.9Å; A122-T125 PolarHBondContact O-N 2.93Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-T125 PolarHBondContact O-N 3.48Å; T125-Y129 WeakPolarHBondContact O-CB 3.32Å; T125-Y129 PolarHBondContact O-N 2.87Å; T125-F237 HydrophobicContact CG2-CE2 4.37Å
126M96Very high96.9Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-59.6-47.1173.1-176.974.347.800112.1L61 Q62 L65 A122 L123 Y129 L130 F237 T241L61-M126 HydrophobicContact CB-CE 4.37Å; L61-M126 HydrophobicContact CB-SD 4.41Å; L61-M126 HydrophobicContact CD2-CE 3.66Å; L61-M126 HydrophobicContact CD2-SD 4.46Å; L61-M126 HydrophobicContact CG-CE 3.6Å; L61-M126 HydrophobicContact CG-SD 4.27Å; Q62-M126 HydrophobicContact CB-CG 3.55Å; Q62-M126 HydrophobicContact CB-SD 3.87Å; Q62-M126 HydrophobicContact CG-CG 3.63Å; L65-M126 HydrophobicContact CD2-CE 4.4Å; A122-M126 WeakPolarHBondContact O-CB 3.46Å; A122-M126 PolarHBondContact O-N 3.44Å; L123-M126 VanDerWaalsContact O-CB 3.31Å; L123-M126 WeakPolarHBondContact O-CB 3.47Å; L123-M126 PolarHBondContact O-N 3.34Å; M126-Y129 PolarHBondContact O-N 3Å; M126-L130 HydrophobicContact CG-CD1 4.15Å; M126-L130 WeakPolarHBondContact O-CB 3.43Å; M126-L130 WeakPolarHBondContact O-CG 3.5Å; M126-L130 PolarHBondContact O-N 2.82Å; M126-L130 HydrophobicContact SD-CD1 4.23Å; M126-F237 HydrophobicContact CB-CZ 4.39Å; M126-F237 HydrophobicContact CE-CE1 4.06Å; M126-F237 HydrophobicContact CE-CZ 3.57Å; M126-F237 HydrophobicContact CG-CZ 4.49Å; M126-F237 HydrophobicContact SD-CE1 4.04Å; M126-F237 HydrophobicContact SD-CZ 3.55Å; M126-F237 VanDerWaalsContact SD-CZ 3.55Å; M126-T241 HydrophobicContact CE-CG2 3.74Å
127D97.1Very high96.8Very high57 Ų5751.9 Ų51.931%0.30529%0.285SS..Hα-helixtrans-69.2-38.7-177.4-70.6-4.8000111.3Q62 R66 L123 L124 L130 G131Q62-D127 PolarHBondContact NE2-OD1 3.03Å; R66-D127 IonicContact CZ-OD1 3.85Å; R66-D127 IonicContact NH2-OD1 3.32Å; R66-D127 PolarHBondContact NH2-OD1 3.5Å; R66-D127 IonicContact NH2-OD2 2.67Å; R66-D127 PolarHBondContact NH2-OD2 2.9Å; L123-D127 PolarHBondContact O-N 3.35Å; L124-D127 PolarHBondContact O-N 3.03Å; D127-L130 PolarHBondContact O-N 2.94Å; D127-G131 PolarHBondContact O-N 3.33Å
128T96.9Very high96.8Very high91 Ų9150.5 Ų50.556%0.55828%0.284SS*.Hα-helixtrans-64.1-39.2173.9-56.40000112.4L124L124-T128 WeakPolarHBondContact O-CB 3.37Å; L124-T128 PolarHBondContact O-N 3.27Å; L124-T128 PolarHBondContact O-OG1 3.23Å
129Y97.6Very high96.7Very high12 Ų1252.7 Ų52.75%0.04729%0.293CS..Hα-helixtrans-68.4-46.8176.1172.5-103.3000112.1Q54 T125 M126 G131 Q132 F133 R234 F237Q54-Y129 PolarHBondContact NE2-OH 3.35Å; T125-Y129 WeakPolarHBondContact O-CB 3.32Å; T125-Y129 PolarHBondContact O-N 2.87Å; M126-Y129 PolarHBondContact O-N 3Å; Y129-G131 VanDerWaalsContact C-N 3.26Å; Y129-G131 PolarHBondContact O-N 2.98Å; Y129-Q132 PolarHBondContact O-N 3.38Å; Y129-F133 HydrophobicContact CD1-CE2 4.21Å; Y129-F133 AromaticContact CE1-CE2 3.91Å; Y129-F133 HydrophobicContact CE1-CE2 3.91Å; Y129-F133 HydrophobicContact CE1-CZ 4.2Å; Y129-R234 WeakPolarHBondContact OH-CA 3.47Å; Y129-R234 WeakPolarHBondContact OH-CB 3.44Å; Y129-F237 AromaticContact CD1-CD1 3.63Å; Y129-F237 HydrophobicContact CD1-CD1 3.63Å; Y129-F237 AromaticContact CD1-CD2 3.88Å; Y129-F237 HydrophobicContact CD1-CD2 3.88Å; Y129-F237 AromaticContact CD1-CE1 3.42Å; Y129-F237 HydrophobicContact CD1-CE1 3.42Å; Y129-F237 VanDerWaalsContact CD1-CE1 3.42Å; Y129-F237 AromaticContact CD1-CE2 3.7Å; Y129-F237 HydrophobicContact CD1-CE2 3.7Å; Y129-F237 AromaticContact CD1-CG 3.85Å; Y129-F237 HydrophobicContact CD1-CG 3.85Å; Y129-F237 AromaticContact CD1-CZ 3.45Å; Y129-F237 HydrophobicContact CD1-CZ 3.45Å; Y129-F237 VanDerWaalsContact CD1-CZ 3.45Å; Y129-F237 HydrophobicContact CD2-CB 4.09Å; Y129-F237 HydrophobicContact CD2-CD1 4.28Å; Y129-F237 AromaticContact CD2-CD2 3.72Å; Y129-F237 HydrophobicContact CD2-CD2 3.72Å; Y129-F237 HydrophobicContact CD2-CE2 4.25Å; Y129-F237 AromaticContact CD2-CG 3.73Å; Y129-F237 HydrophobicContact CD2-CG 3.73Å; Y129-F237 AromaticContact CE1-CD1 3.39Å; Y129-F237 HydrophobicContact CE1-CD1 3.39Å; Y129-F237 HydrophobicContact CE1-CD2 4.38Å; Y129-F237 AromaticContact CE1-CE1 3.49Å; Y129-F237 HydrophobicContact CE1-CE1 3.49Å; Y129-F237 VanDerWaalsContact CE1-CE1 3.49Å; Y129-F237 HydrophobicContact CE1-CE2 4.46Å; Y129-F237 AromaticContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CZ 4.03Å; Y129-F237 HydrophobicContact CE2-CB 3.83Å; Y129-F237 HydrophobicContact CE2-CD1 4.09Å; Y129-F237 HydrophobicContact CE2-CD2 4.24Å; Y129-F237 AromaticContact CE2-CG 3.76Å; Y129-F237 HydrophobicContact CE2-CG 3.76Å; Y129-F237 HydrophobicContact CG-CD1 4.04Å; Y129-F237 AromaticContact CG-CD2 3.48Å; Y129-F237 HydrophobicContact CG-CD2 3.48Å; Y129-F237 VanDerWaalsContact CG-CD2 3.48Å; Y129-F237 HydrophobicContact CG-CE1 4.08Å; Y129-F237 AromaticContact CG-CE2 3.54Å; Y129-F237 HydrophobicContact CG-CE2 3.54Å; Y129-F237 AromaticContact CG-CG 3.74Å; Y129-F237 HydrophobicContact CG-CG 3.74Å; Y129-F237 AromaticContact CG-CZ 3.83Å; Y129-F237 HydrophobicContact CG-CZ 3.83Å; Y129-F237 AromaticContact CZ-CD1 3.6Å; Y129-F237 AromaticContact CZ-CG 3.78Å
130L97.8Very high96.6Very high16 Ų1652 Ų528%0.08429%0.287CS..Hα-helixtrans-67.8-25.9178.5-72.1172.6000113.1L55 Q62 M126 D127 Q132 F133 P134L55-L130 HydrophobicContact CD1-CD2 4.37Å; Q62-L130 HydrophobicContact CB-CD1 3.64Å; Q62-L130 HydrophobicContact CG-CD1 3.9Å; M126-L130 HydrophobicContact CG-CD1 4.15Å; M126-L130 WeakPolarHBondContact O-CB 3.43Å; M126-L130 WeakPolarHBondContact O-CG 3.5Å; M126-L130 PolarHBondContact O-N 2.82Å; M126-L130 HydrophobicContact SD-CD1 4.23Å; D127-L130 PolarHBondContact O-N 2.94Å; L130-Q132 PolarHBondContact O-N 3.19Å; L130-Q132 VanDerWaalsContact O-N 3.12Å; L130-F133 HydrophobicContact CD2-CD2 4.26Å; L130-F133 HydrophobicContact CD2-CE2 4.25Å; L130-F133 PolarHBondContact O-N 3.22Å; L130-F133 VanDerWaalsContact O-N 3.15Å; L130-P134 WeakPolarHBondContact O-CD 3.25Å
131G97.5Very high96.6Very high53 Ų5350.2 Ų50.255%0.54628%0.284SS..THydrogen-bonded Turntrans-59.7-16.3173.600000115.3D127 Y129 P134D127-G131 PolarHBondContact O-N 3.33Å; Y129-G131 VanDerWaalsContact C-N 3.26Å; Y129-G131 PolarHBondContact O-N 2.98Å; G131-P134 WeakPolarHBondContact O-CD 3.45Å
132Q96.7Very high96.7Very high90 Ų9051.2 Ų51.242%0.42129%0.287SS..THydrogen-bonded Turntrans-77.9-24.4176.7-64.6168.548.900113.1Y129 L130 I136Y129-Q132 PolarHBondContact O-N 3.38Å; L130-Q132 PolarHBondContact O-N 3.19Å; L130-Q132 VanDerWaalsContact O-N 3.12Å; Q132-I136 WeakPolarHBondContact O-CG1 3.36Å
133F97.8Very high96.7Very high2 Ų251.7 Ų51.71%0.00929%0.288CS..Hα-helixtrans-73.8-36.3-171-70.9-102.4000115.1F51 Q54 L55 Y129 L130 D135 I136 K137 L230F51-F133 HydrophobicContact CD2-CD1 4.02Å; F51-F133 HydrophobicContact CD2-CE1 4.19Å; F51-F133 HydrophobicContact CE1-CD1 4.5Å; F51-F133 HydrophobicContact CE2-CB 4.42Å; F51-F133 AromaticContact CE2-CD1 3.43Å; F51-F133 HydrophobicContact CE2-CD1 3.43Å; F51-F133 VanDerWaalsContact CE2-CD1 3.43Å; F51-F133 HydrophobicContact CE2-CE1 4.04Å; F51-F133 HydrophobicContact CE2-CG 4.23Å; F51-F133 HydrophobicContact CZ-CB 4.19Å; F51-F133 AromaticContact CZ-CD1 3.71Å; F51-F133 HydrophobicContact CZ-CD1 3.71Å; F51-F133 HydrophobicContact CZ-CG 4.39Å; Q54-F133 HydrophobicContact CB-CE1 4.12Å; Q54-F133 HydrophobicContact CB-CZ 4.38Å; Q54-F133 HydrophobicContact CG-CE1 4.03Å; Q54-F133 HydrophobicContact CG-CZ 3.8Å; L55-F133 HydrophobicContact CB-CD1 3.65Å; L55-F133 HydrophobicContact CB-CE1 3.96Å; L55-F133 HydrophobicContact CB-CG 4.43Å; L55-F133 HydrophobicContact CD1-CB 3.77Å; L55-F133 HydrophobicContact CD1-CD1 3.93Å; L55-F133 HydrophobicContact CD1-CG 3.82Å; L55-F133 HydrophobicContact CD2-CB 4.44Å; L55-F133 HydrophobicContact CD2-CD1 4.47Å; L55-F133 HydrophobicContact CG-CD1 4.21Å; Y129-F133 HydrophobicContact CD1-CE2 4.21Å; Y129-F133 AromaticContact CE1-CE2 3.91Å; Y129-F133 HydrophobicContact CE1-CE2 3.91Å; Y129-F133 HydrophobicContact CE1-CZ 4.2Å; L130-F133 HydrophobicContact CD2-CD2 4.26Å; L130-F133 HydrophobicContact CD2-CE2 4.25Å; L130-F133 PolarHBondContact O-N 3.22Å; L130-F133 VanDerWaalsContact O-N 3.15Å; F133-D135 PolarHBondContact O-N 2.99Å; F133-I136 PolarHBondContact O-N 3.3Å; F133-K137 VanDerWaalsContact O-CB 3.22Å; F133-K137 WeakPolarHBondContact O-CB 3.47Å; F133-K137 PolarHBondContact O-N 3.49Å; F133-L230 HydrophobicContact CD1-CD2 4.26Å; F133-L230 HydrophobicContact CE1-CD2 3.86Å; F133-L230 HydrophobicContact CE2-CD1 4.44Å; F133-L230 HydrophobicContact CZ-CD1 4.38Å; F133-L230 HydrophobicContact CZ-CD2 4Å; F133-L230 HydrophobicContact CZ-CG 4.33Å
134P97.6Very high96.5Very high85 Ų8552.4 Ų52.455%0.55230%0.301SS*.Hα-helixtrans-58.7-46.8-179.2-28.236.8000114.4L130 G131 K137 S138L130-P134 WeakPolarHBondContact O-CD 3.25Å; G131-P134 WeakPolarHBondContact O-CD 3.45Å; P134-K137 PolarHBondContact O-N 3.23Å; P134-S138 PolarHBondContact O-N 3.45Å
135D96.6Very high96.3Very high96 Ų9651.1 Ų51.151%0.51329%0.289SS..Hα-helixtrans-62.5-51.5178174.371.8000111.4F133 K137 S138 R139F133-D135 PolarHBondContact O-N 2.99Å; D135-K137 PolarHBondContact O-N 2.98Å; D135-S138 CarbonylContact O-C 3.59Å; D135-S138 WeakPolarHBondContact O-CA 3.35Å; D135-S138 WeakPolarHBondContact O-CB 3.45Å; D135-S138 PolarHBondContact O-N 3.21Å; D135-R139 PolarHBondContact O-N 2.91Å; D135-R139 WeakPolarHBondContact OD2-CD 3.42Å; D135-R139 IonicContact OD2-NH1 2.67Å
136I97.2Very high96.3Very high13 Ų1350.6 Ų50.67%0.06728%0.281CS..Hα-helixtrans-59.7-38.4179.9-63.3173000110.6F51 Q132 F133 R139 I140 L223 L227 L230F51-I136 HydrophobicContact CD2-CG2 3.99Å; F51-I136 HydrophobicContact CE2-CB 3.87Å; F51-I136 HydrophobicContact CE2-CG2 3.45Å; F51-I136 VanDerWaalsContact CE2-CG2 3.45Å; F51-I136 HydrophobicContact CZ-CB 4.26Å; F51-I136 HydrophobicContact CZ-CG2 4.06Å; Q132-I136 WeakPolarHBondContact O-CG1 3.36Å; F133-I136 PolarHBondContact O-N 3.3Å; I136-R139 PolarHBondContact O-N 2.93Å; I136-I140 HydrophobicContact CG2-CD1 4.15Å; I136-I140 VanDerWaalsContact O-CG1 3.28Å; I136-I140 WeakPolarHBondContact O-CG1 3.38Å; I136-I140 PolarHBondContact O-N 2.85Å; I136-L223 HydrophobicContact CG2-CD2 4.24Å; I136-L227 HydrophobicContact CG2-CD2 3.5Å; I136-L230 HydrophobicContact CD1-CD2 3.85Å
137K97.2Very high96.2Very high120 Ų12051.9 Ų51.952%0.52229%0.288SS..Hα-helixtrans-63.1-43.7173.7-170.5-177.8179.8-171.60112F51 F133 P134 D135 R139 I140 A141F51-K137 HydrophobicContact CE1-CB 4.02Å; F51-K137 HydrophobicContact CE1-CG 4.33Å; F51-K137 HydrophobicContact CZ-CB 3.95Å; F133-K137 VanDerWaalsContact O-CB 3.22Å; F133-K137 WeakPolarHBondContact O-CB 3.47Å; F133-K137 PolarHBondContact O-N 3.49Å; P134-K137 PolarHBondContact O-N 3.23Å; D135-K137 PolarHBondContact O-N 2.98Å; K137-R139 VanDerWaalsContact C-N 3.34Å; K137-I140 PolarHBondContact O-N 2.84Å; K137-A141 PolarHBondContact O-N 2.89Å; K137-A141 VanDerWaalsContact O-N 3.08Å
138S97.3Very high95.9Very high38 Ų3849.8 Ų49.827%0.26628%0.277SS..Hα-helixtrans-61.4-42.6175.1-169.70000111.1P134 D135 A141 K142 E557P134-S138 PolarHBondContact O-N 3.45Å; D135-S138 CarbonylContact O-C 3.59Å; D135-S138 WeakPolarHBondContact O-CA 3.35Å; D135-S138 WeakPolarHBondContact O-CB 3.45Å; D135-S138 PolarHBondContact O-N 3.21Å; S138-A141 PolarHBondContact O-N 2.82Å; S138-K142 WeakPolarHBondContact O-CB 3.4Å; S138-K142 PolarHBondContact O-N 3.41Å; S138-E557 PolarHBondContact OG-OE1 3.46Å
139R97Very high95.6Very high46 Ų4646.7 Ų46.717%0.17426%0.257CS..Hα-helixtrans-66.3-40.6176.1-70.5172.865.9-152.2-1.4113D135 I136 K137 A141 K142 R143 D222 L223 E226D135-R139 PolarHBondContact O-N 2.91Å; D135-R139 WeakPolarHBondContact OD2-CD 3.42Å; D135-R139 IonicContact OD2-NH1 2.67Å; I136-R139 PolarHBondContact O-N 2.93Å; K137-R139 VanDerWaalsContact C-N 3.34Å; R139-A141 PolarHBondContact O-N 2.7Å; R139-K142 PolarHBondContact O-N 3.33Å; R139-R143 PolarHBondContact O-N 3.12Å; R139-D222 IonicContact NH2-OD2 2.68Å; R139-D222 PolarHBondContact NH2-OD2 2.87Å; R139-L223 HydrophobicContact CB-CD1 4.23Å; R139-L223 HydrophobicContact CB-CD2 4.04Å; R139-E226 IonicContact CZ-OE1 2.61Å; R139-E226 VanDerWaalsContact CZ-OE1 3.25Å; R139-E226 IonicContact CZ-OE2 3.39Å; R139-E226 IonicContact NH1-OE1 2.82Å; R139-E226 PolarHBondContact NH1-OE1 2.88Å; R139-E226 IonicContact NH1-OE2 3.99Å; R139-E226 PolarHBondContact NH1-OE2 3.11Å; R139-E226 IonicContact NH2-OE1 3.54Å; R139-E226 PolarHBondContact NH2-OE1 3.39Å; R139-E226 IonicContact NH2-OE2 2.63Å
140I96.4Very high95.4Very high24 Ų2448.2 Ų48.212%0.12326%0.263CS..Hα-helixtrans-57.2-48.7171.4-69.7160.8000110.5F44 V48 F51 I136 K137 K142 R143 G144 L223 L227F44-I140 HydrophobicContact CZ-CG1 4.48Å; V48-I140 HydrophobicContact CG1-CG2 4.3Å; V48-I140 HydrophobicContact CG2-CD1 4.36Å; V48-I140 HydrophobicContact CG2-CG1 4.41Å; V48-I140 HydrophobicContact CG2-CG2 3.88Å; F51-I140 HydrophobicContact CD1-CD1 3.68Å; F51-I140 HydrophobicContact CD2-CD1 4.29Å; F51-I140 HydrophobicContact CE1-CD1 3.81Å; F51-I140 HydrophobicContact CE2-CD1 4.41Å; F51-I140 HydrophobicContact CG-CD1 3.94Å; F51-I140 HydrophobicContact CZ-CD1 4.18Å; I136-I140 HydrophobicContact CG2-CD1 4.15Å; I136-I140 VanDerWaalsContact O-CG1 3.28Å; I136-I140 WeakPolarHBondContact O-CG1 3.38Å; I136-I140 PolarHBondContact O-N 2.85Å; K137-I140 PolarHBondContact O-N 2.84Å; I140-K142 VanDerWaalsContact C-N 3.33Å; I140-K142 PolarHBondContact O-N 3.01Å; I140-R143 PolarHBondContact O-N 2.95Å; I140-G144 PolarHBondContact O-N 2.61Å; I140-L223 HydrophobicContact CG1-CD1 4.44Å; I140-L223 HydrophobicContact CG1-CD2 4.38Å; I140-L227 HydrophobicContact CD1-CD1 4.4Å; I140-L227 HydrophobicContact CD1-CD2 3.93Å; I140-L227 HydrophobicContact CG1-CD1 4.34Å; I140-L227 HydrophobicContact CG1-CD2 4.44Å
141A95.8Very high95.1Very high44 Ų4447.5 Ų47.536%0.36426%0.26SS..Hα-helixtrans-62.8-39.617800000111.9K137 S138 R139 G144 R145K137-A141 PolarHBondContact O-N 2.89Å; K137-A141 VanDerWaalsContact O-N 3.08Å; S138-A141 PolarHBondContact O-N 2.82Å; R139-A141 PolarHBondContact O-N 2.7Å; A141-G144 PolarHBondContact O-N 3.39Å; A141-R145 WeakPolarHBondContact O-CG 3.17Å; A141-R145 PolarHBondContact O-N 2.82Å
142K95.8Very high94.7Very high106 Ų10645.8 Ų45.846%0.46124%0.239SC..Hα-helixtrans-63.8-44.3175.5-165.9175.5171.4177.70112S138 R139 I140 R145 K146 M219S138-K142 WeakPolarHBondContact O-CB 3.4Å; S138-K142 PolarHBondContact O-N 3.41Å; R139-K142 PolarHBondContact O-N 3.33Å; I140-K142 VanDerWaalsContact C-N 3.33Å; I140-K142 PolarHBondContact O-N 3.01Å; K142-R145 PolarHBondContact O-N 2.81Å; K142-K146 WeakPolarHBondContact O-CG 3.22Å; K142-K146 PolarHBondContact O-N 2.99Å; K142-M219 HydrophobicContact CB-SD 4.26Å; K142-M219 HydrophobicContact CD-SD 3.65Å; K142-M219 HydrophobicContact CG-CE 4.2Å; K142-M219 HydrophobicContact CG-SD 3.67Å
143R95.6Very high94.4Very high10 Ų1042.3 Ų42.34%0.03823%0.226CC..Hα-helixtrans-58-47.7171.8-177.7-165.2176-94.59.2110.9D41 R139 I140 R145 K146 L147 F216 N220 L223D41-R143 IonicContact OD2-CZ 3.33Å; D41-R143 IonicContact OD2-NH2 2.81Å; D41-R143 PolarHBondContact OD2-NH2 3.06Å; R139-R143 PolarHBondContact O-N 3.12Å; I140-R143 PolarHBondContact O-N 2.95Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 2.93Å; R143-K146 CarbonylContact O-C 3.6Å; R143-K146 WeakPolarHBondContact O-CA 3.46Å; R143-K146 PolarHBondContact O-N 3.08Å; R143-L147 PolarHBondContact O-N 3.05Å; R143-F216 HydrophobicContact CG-CD2 4.17Å; R143-F216 HydrophobicContact CG-CE2 3.77Å; R143-N220 PolarHBondContact NE-OD1 3.47Å; R143-N220 PolarHBondContact NH2-OD1 3.2Å; R143-L223 HydrophobicContact CB-CD1 3.89Å; R143-L223 HydrophobicContact CG-CD1 4.47Å
144G92.4Very high94.2Very high35 Ų3544.2 Ų44.236%0.36123%0.233SC..Hα-helixtrans-56.8-42.4176.800000112.9I140 A141 K146 V148I140-G144 PolarHBondContact O-N 2.61Å; A141-G144 PolarHBondContact O-N 3.39Å; G144-K146 VanDerWaalsContact C-N 3.3Å; G144-K146 PolarHBondContact O-N 2.88Å; G144-V148 PolarHBondContact O-N 3Å
145R93.4Very high93.7Very high74 Ų7443 Ų4328%0.27922%0.22SC..Hα-helixtrans-65.5-29.2173-70-178.3-70.5-120.74.6113.2R24 A141 K142 R143 D149 D535R24-R145 PolarHBondContact NE-O 2.9Å; A141-R145 WeakPolarHBondContact O-CG 3.17Å; A141-R145 PolarHBondContact O-N 2.82Å; K142-R145 PolarHBondContact O-N 2.81Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 2.93Å; R145-D149 PolarHBondContact O-N 2.71Å; R145-D535 IonicContact NH1-OD2 3.89Å
146K93.4Very high93.3Very high50 Ų5042.7 Ų42.722%0.21722%0.215CC..Hα-helixtrans-82.4-30.6177.7-69-43.1-171.4171.80115K142 R143 G144 V148 D149 Y150 V215 F216 M219K142-K146 WeakPolarHBondContact O-CG 3.22Å; K142-K146 PolarHBondContact O-N 2.99Å; R143-K146 CarbonylContact O-C 3.6Å; R143-K146 WeakPolarHBondContact O-CA 3.46Å; R143-K146 PolarHBondContact O-N 3.08Å; G144-K146 VanDerWaalsContact C-N 3.3Å; G144-K146 PolarHBondContact O-N 2.88Å; K146-V148 VanDerWaalsContact C-N 3.28Å; K146-V148 PolarHBondContact O-N 2.59Å; K146-D149 HydrophobicContact CD-CB 4.3Å; K146-D149 WeakPolarHBondContact CD-OD2 3.38Å; K146-D149 IonicContact NZ-OD2 3.74Å; K146-D149 PolarHBondContact NZ-OD2 3.06Å; K146-D149 PolarHBondContact O-N 3.05Å; K146-Y150 WeakPolarHBondContact O-CB 3.46Å; K146-Y150 PolarHBondContact O-N 2.63Å; K146-V215 HydrophobicContact CD-CG1 4.18Å; K146-V215 HydrophobicContact CG-CG1 4.19Å; K146-F216 HydrophobicContact CB-CB 4.12Å; K146-F216 HydrophobicContact CB-CD2 4.33Å; K146-M219 HydrophobicContact CB-CE 4.29Å; K146-M219 HydrophobicContact CG-CE 3.45Å; K146-M219 VanDerWaalsContact CG-CE 3.45Å
147L92.4Very high92.8Very high27 Ų2743.5 Ų43.514%0.14122%0.218CC..Hα-helixtrans-58.8-44.1169.7-17452.6000110.6T39 R143 Y150 D151 F216T39-L147 HydrophobicContact CG2-CD1 3.93Å; R143-L147 PolarHBondContact O-N 3.05Å; L147-Y150 HydrophobicContact CD1-CD1 4.44Å; L147-Y150 PolarHBondContact O-N 3.37Å; L147-D151 PolarHBondContact O-N 3.25Å; L147-F216 HydrophobicContact CB-CD2 3.96Å; L147-F216 HydrophobicContact CB-CE2 3.77Å; L147-F216 HydrophobicContact CD1-CD2 4.27Å; L147-F216 HydrophobicContact CD1-CE1 4.31Å; L147-F216 HydrophobicContact CD1-CE2 3.76Å; L147-F216 HydrophobicContact CD1-CZ 3.78Å; L147-F216 HydrophobicContact CD2-CE2 4.49Å; L147-F216 HydrophobicContact CG-CE2 4.22Å
148V91Very high92.3Very high13 Ų1341.8 Ų41.88%0.07921%0.211CC..Hα-helixtrans-68.8-38.4175.5-1760000112.5R24 E27 K28 G144 K146 Y150 S152R24-V148 HydrophobicContact CB-CG1 3.84Å; R24-V148 HydrophobicContact CG-CB 4.34Å; R24-V148 HydrophobicContact CG-CG1 3.89Å; E27-V148 HydrophobicContact CB-CG1 3.98Å; E27-V148 HydrophobicContact CG-CG1 4.36Å; K28-V148 HydrophobicContact CG-CG1 4.23Å; K28-V148 HydrophobicContact CG-CG2 4.28Å; G144-V148 PolarHBondContact O-N 3Å; K146-V148 VanDerWaalsContact C-N 3.28Å; K146-V148 PolarHBondContact O-N 2.59Å; V148-Y150 VanDerWaalsContact C-N 3.27Å; V148-Y150 PolarHBondContact O-N 3Å; V148-S152 WeakPolarHBondContact O-CB 3.43Å; V148-S152 PolarHBondContact O-N 3.4Å
149D91.3Very high91.7Very high27 Ų2742.1 Ų42.114%0.14421%0.214CC..Hα-helixtrans-58.8-40.2171.9-75.4-14.6000111R24 R145 K146 A153R24-D149 WeakPolarHBondContact CG-OD1 3.39Å; R24-D149 IonicContact CZ-OD1 3.65Å; R24-D149 IonicContact CZ-OD2 3.56Å; R24-D149 IonicContact NE-OD1 3.71Å; R24-D149 PolarHBondContact NE-OD1 2.87Å; R24-D149 IonicContact NE-OD2 3.99Å; R24-D149 IonicContact NH2-OD1 2.6Å; R24-D149 PolarHBondContact NH2-OD1 2.98Å; R24-D149 VanDerWaalsContact NH2-OD1 3.12Å; R24-D149 IonicContact NH2-OD2 2.69Å; R24-D149 PolarHBondContact NH2-OD2 3.14Å; R145-D149 PolarHBondContact O-N 2.71Å; K146-D149 HydrophobicContact CD-CB 4.3Å; K146-D149 WeakPolarHBondContact CD-OD2 3.38Å; K146-D149 IonicContact NZ-OD2 3.74Å; K146-D149 PolarHBondContact NZ-OD2 3.06Å; K146-D149 PolarHBondContact O-N 3.05Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.48Å; D149-A153 VanDerWaalsContact O-N 3.15Å
150Y93Very high91Very high43 Ų4342.3 Ų42.317%0.16922%0.218CC..Hα-helixtrans-71.7-49.2179.3167.2-109.5000112.9K146 L147 V148 S152 A153 R154 L209 Q213K146-Y150 WeakPolarHBondContact O-CB 3.46Å; K146-Y150 PolarHBondContact O-N 2.63Å; L147-Y150 HydrophobicContact CD1-CD1 4.44Å; L147-Y150 PolarHBondContact O-N 3.37Å; V148-Y150 VanDerWaalsContact C-N 3.27Å; V148-Y150 PolarHBondContact O-N 3Å; Y150-S152 VanDerWaalsContact C-N 3.25Å; Y150-S152 PolarHBondContact O-N 2.86Å; Y150-A153 PolarHBondContact O-N 3.32Å; Y150-R154 WeakPolarHBondContact O-CB 3.16Å; Y150-R154 PolarHBondContact O-N 3.36Å; Y150-L209 HydrophobicContact CD2-CD1 3.78Å; Y150-L209 HydrophobicContact CE2-CD1 3.54Å; Y150-Q213 HydrophobicContact CD2-CB 3.66Å; Y150-Q213 HydrophobicContact CD2-CG 4.13Å; Y150-Q213 HydrophobicContact CE2-CB 3.59Å; Y150-Q213 HydrophobicContact CE2-CG 3.68Å
151D91.4Very high90Very high2 Ų245.7 Ų45.71%0.01123%0.233CC..Hα-helixtrans-58.4-39.7176.7-85.5-24.7000111.2E27 Q31 T39 L147 R154 H155E27-D151 HydrophobicContact CG-CB 4.48Å; Q31-D151 PolarHBondContact NE2-OD2 3Å; T39-D151 PolarHBondContact N-OD2 3.08Å; T39-D151 VanDerWaalsContact N-OD2 3.13Å; T39-D151 PolarHBondContact OG1-OD1 3.26Å; L147-D151 PolarHBondContact O-N 3.25Å; D151-R154 WeakPolarHBondContact O-CB 3.46Å; D151-R154 PolarHBondContact O-N 3.27Å; D151-R154 IonicContact OD1-CZ 3.25Å; D151-R154 IonicContact OD1-NE 2.71Å; D151-R154 PolarHBondContact OD1-NE 3.47Å; D151-R154 IonicContact OD1-NH2 3.64Å; D151-R154 PolarHBondContact OD1-NH2 2.98Å; D151-H155 WeakPolarHBondContact O-CB 3.09Å; D151-H155 PolarHBondContact O-N 3.43Å
152S89.7Confident89Confident16 Ų1648.3 Ų48.311%0.11225%0.245CC..Hα-helixtrans-68.4-40.3177.4-155.90000113.2T23 E27 V148 Y150 R154 H156T23-S152 WeakPolarHBondContact CG2-OG 3.45Å; E27-S152 WeakPolarHBondContact OE2-CA 2.9Å; E27-S152 WeakPolarHBondContact OE2-CB 3.44Å; E27-S152 PolarHBondContact OE2-OG 3.44Å; V148-S152 WeakPolarHBondContact O-CB 3.43Å; V148-S152 PolarHBondContact O-N 3.4Å; Y150-S152 VanDerWaalsContact C-N 3.25Å; Y150-S152 PolarHBondContact O-N 2.86Å; S152-R154 VanDerWaalsContact C-N 3.33Å; S152-R154 PolarHBondContact O-N 3.33Å; S152-H156 WeakPolarHBondContact O-CB 3.16Å; S152-H156 PolarHBondContact O-N 3.11Å
153A90.9Very high87.5Confident17 Ų1744.1 Ų44.114%0.1423%0.23CC..Hα-helixtrans-64.9-37.6173.600000112D149 Y150 H156 Y157 L209 A212D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.48Å; D149-A153 VanDerWaalsContact O-N 3.15Å; Y150-A153 PolarHBondContact O-N 3.32Å; A153-H156 PolarHBondContact O-N 2.87Å; A153-Y157 WeakPolarHBondContact O-CB 3.44Å; A153-Y157 PolarHBondContact O-N 2.85Å; A153-L209 HydrophobicContact CB-CB 4.34Å; A153-L209 HydrophobicContact CB-CD1 4.3Å; A153-A212 HydrophobicContact CB-CB 4.07Å
154R91.9Very high85.6Confident43 Ų4349.8 Ų49.816%0.16226%0.255CS..Hα-helixtrans-63.1-53.4176176.5171.465.892.7-4.7110.7D37 T39 Y150 D151 S152 H156 Y157 E158 L209D37-R154 PolarHBondContact O-NH2 2.73Å; T39-R154 PolarHBondContact OG1-NH2 3.05Å; Y150-R154 WeakPolarHBondContact O-CB 3.16Å; Y150-R154 PolarHBondContact O-N 3.36Å; D151-R154 WeakPolarHBondContact O-CB 3.46Å; D151-R154 PolarHBondContact O-N 3.27Å; D151-R154 IonicContact OD1-CZ 3.25Å; D151-R154 IonicContact OD1-NE 2.71Å; D151-R154 PolarHBondContact OD1-NE 3.47Å; D151-R154 IonicContact OD1-NH2 3.64Å; D151-R154 PolarHBondContact OD1-NH2 2.98Å; S152-R154 VanDerWaalsContact C-N 3.33Å; S152-R154 PolarHBondContact O-N 3.33Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-H156 PolarHBondContact O-N 3.42Å; R154-Y157 PolarHBondContact O-N 3.31Å; R154-E158 WeakPolarHBondContact CG-OE1 3.39Å; R154-E158 IonicContact NH1-OE1 3.39Å; R154-E158 WeakPolarHBondContact O-CB 3.41Å; R154-E158 WeakPolarHBondContact O-CG 3.25Å; R154-E158 PolarHBondContact O-N 3.01Å; R154-L209 HydrophobicContact CB-CD1 3.86Å
155H88.5Confident83.6Confident60 Ų6057.3 Ų57.328%0.27828%0.278SS..Hα-helixtrans-60.8-38.6177.2175.8-130.9000112E27 D151 S159E27-H155 IonicContact OE1-ND1 3.81Å; E27-H155 IonicContact OE2-ND1 3.63Å; D151-H155 WeakPolarHBondContact O-CB 3.09Å; D151-H155 PolarHBondContact O-N 3.43Å; H155-S159 WeakPolarHBondContact O-CB 3.45Å; H155-S159 PolarHBondContact O-N 3.45Å
156H87.3Confident81.4Confident89 Ų8961.7 Ų61.741%0.41230%0.299SS..Hα-helixtrans-61.9-47.7173.7-173.850.7000112.3S152 A153 R154 S159 L160S152-H156 WeakPolarHBondContact O-CB 3.16Å; S152-H156 PolarHBondContact O-N 3.11Å; A153-H156 PolarHBondContact O-N 2.87Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-H156 PolarHBondContact O-N 3.42Å; H156-S159 PolarHBondContact O-N 3.49Å; H156-S159 PolarHBondContact O-OG 3.34Å; H156-L160 PolarHBondContact O-N 2.89Å; H156-L160 VanDerWaalsContact O-N 3.09Å
157Y87.6Confident79Confident30 Ų3062.3 Ų62.312%0.11831%0.305CS..Hα-helixtrans-62.3-44.2177.5-177.5-124.7000112.6A153 R154 S159 L160 Q161 R202 A205 E206 L209A153-Y157 WeakPolarHBondContact O-CB 3.44Å; A153-Y157 PolarHBondContact O-N 2.85Å; R154-Y157 PolarHBondContact O-N 3.31Å; Y157-S159 VanDerWaalsContact C-N 3.33Å; Y157-S159 PolarHBondContact O-N 2.92Å; Y157-L160 PolarHBondContact O-N 3.45Å; Y157-Q161 HydrophobicContact CE2-CG 4.37Å; Y157-Q161 PolarHBondContact O-N 2.96Å; Y157-R202 HydrophobicContact CD2-CG 4.45Å; Y157-R202 HydrophobicContact CE2-CG 3.76Å; Y157-A205 HydrophobicContact CD2-CB 4.1Å; Y157-E206 HydrophobicContact CD2-CB 4.15Å; Y157-E206 HydrophobicContact CE2-CB 3.64Å; Y157-E206 HydrophobicContact CE2-CG 4.16Å; Y157-E206 PolarHBondContact OH-OE1 3.44Å; Y157-L209 HydrophobicContact CD1-CD2 3.54Å; Y157-L209 HydrophobicContact CE1-CD2 4.3Å; Y157-L209 HydrophobicContact CG-CD2 4.05Å
158E87.3Confident76.9Confident83 Ų8367.8 Ų67.839%0.38833%0.329SS..Hα-helixtrans-61.6-38.7174.8-72172.1-17000112.2R154 L160 Q161 T162R154-E158 WeakPolarHBondContact CG-OE1 3.39Å; R154-E158 IonicContact NH1-OE1 3.39Å; R154-E158 WeakPolarHBondContact O-CB 3.41Å; R154-E158 WeakPolarHBondContact O-CG 3.25Å; R154-E158 PolarHBondContact O-N 3.01Å; E158-L160 PolarHBondContact O-N 3.33Å; E158-Q161 PolarHBondContact O-N 3.39Å; E158-T162 WeakPolarHBondContact O-CG2 3.36Å; E158-T162 PolarHBondContact O-N 2.97Å; E158-T162 PolarHBondContact O-OG1 2.89Å
159S84.4Confident74.9Confident46 Ų4670.7 Ų70.732%0.32236%0.355SS..Hα-helixtrans-62.3-41.8174.782.90000111.8H155 H156 Y157 T162 A163H155-S159 WeakPolarHBondContact O-CB 3.45Å; H155-S159 PolarHBondContact O-N 3.45Å; H156-S159 PolarHBondContact O-N 3.49Å; H156-S159 PolarHBondContact O-OG 3.34Å; Y157-S159 VanDerWaalsContact C-N 3.33Å; Y157-S159 PolarHBondContact O-N 2.92Å; S159-T162 PolarHBondContact O-N 3.24Å; S159-T162 PolarHBondContact O-OG1 2.87Å; S159-T162 VanDerWaalsContact O-OG1 3.12Å; S159-A163 WeakPolarHBondContact O-CB 3.22Å; S159-A163 PolarHBondContact O-N 3.02Å
160L82.1Confident73.1Confident49 Ų4976.8 Ų76.826%0.25738%0.38SS..Hα-helixtrans-71.7-33177.5-70.3173000112.8H156 Y157 E158 A205H156-L160 PolarHBondContact O-N 2.89Å; H156-L160 VanDerWaalsContact O-N 3.09Å; Y157-L160 PolarHBondContact O-N 3.45Å; E158-L160 PolarHBondContact O-N 3.33Å; L160-A205 HydrophobicContact CD1-CB 3.56Å
161Q76Confident71.2Confident96 Ų9678.3 Ų78.345%0.44939%0.39SS..Hα-helixtrans-65.4-45.7172-75.9-160.256.400111.9Y157 E158Y157-Q161 HydrophobicContact CE2-CG 4.37Å; Y157-Q161 PolarHBondContact O-N 2.96Å; E158-Q161 PolarHBondContact O-N 3.39Å
162T73.6Confident69.5Low98 Ų9880.2 Ų80.260%0.60141%0.407SS*.Hα-helixtrans-75.9-26.8-178.655.30000112.9E158 S159 K164 K165E158-T162 WeakPolarHBondContact O-CG2 3.36Å; E158-T162 PolarHBondContact O-N 2.97Å; E158-T162 PolarHBondContact O-OG1 2.89Å; S159-T162 PolarHBondContact O-N 3.24Å; S159-T162 PolarHBondContact O-OG1 2.87Å; S159-T162 VanDerWaalsContact O-OG1 3.12Å; T162-K164 PolarHBondContact O-N 3.43Å; T162-K164 VanDerWaalsContact O-N 3.1Å; T162-K165 PolarHBondContact O-N 3.33Å; T162-K165 VanDerWaalsContact O-N 3.14Å
163A65.4Low68.2Low19 Ų1987 Ų8716%0.15743%0.434CS..Hα-helixtrans-56.5-23.9175.400000113.9S159 K165 K166 D167S159-A163 WeakPolarHBondContact O-CB 3.22Å; S159-A163 PolarHBondContact O-N 3.02Å; A163-K165 PolarHBondContact O-N 3.24Å; A163-K166 PolarHBondContact O-N 3.25Å; A163-D167 PolarHBondContact O-N 2.77Å
164K55.3Low66.8Low129 Ų12990 Ų9056%0.56145%0.452SS*.THydrogen-bonded Turntrans-50.2-26.3172.2-80.1-172.6174.9178.70114.3T162T162-K164 PolarHBondContact O-N 3.43Å; T162-K164 VanDerWaalsContact O-N 3.1Å
165K50.2Low65.5Low193 Ų19389.7 Ų89.784%0.83946%0.455SS*.THydrogen-bonded Turntrans-99.4-13.2175.5-70.8-177.5177.3176.40114.7T162 A163T162-K165 PolarHBondContact O-N 3.33Å; T162-K165 VanDerWaalsContact O-N 3.14Å; A163-K165 PolarHBondContact O-N 3.24Å
166K46.8Very low64.3Low165 Ų16588.5 Ų88.572%0.71745%0.454SS*.THydrogen-bonded Turntrans-116.9-39.5-164.3-149.8177.4-172.3178.80113A163A163-K166 PolarHBondContact O-N 3.25Å
167D43.8Very low63.4Low64 Ų6490 Ų9034%0.34246%0.464SS..THydrogen-bonded Turntrans-85.2-16173.6-80.4-46.1000113A163 A169 K170 I171A163-D167 PolarHBondContact O-N 2.77Å; D167-A169 PolarHBondContact O-N 2.92Å; D167-K170 PolarHBondContact O-N 3.33Å; D167-I171 HydrophobicContact CB-CD1 3.92Å; D167-I171 HydrophobicContact CB-CG1 4.3Å; D167-I171 VanDerWaalsContact O-CB 3.28Å; D167-I171 WeakPolarHBondContact O-CB 3.28Å; D167-I171 WeakPolarHBondContact O-CG1 3.4Å; D167-I171 PolarHBondContact O-N 3.36Å
168E47.8Very low62.5Low141 Ų14193.4 Ų93.466%0.65948%0.484SS*.Hα-helixtrans-52-43.1166-158.7176.6-138.500110.1K170 A172E168-K170 PolarHBondContact O-N 3.31Å; E168-A172 WeakPolarHBondContact O-CA 3.48Å; E168-A172 WeakPolarHBondContact O-CB 3.44Å; E168-A172 PolarHBondContact O-N 3.36Å
169A49.2Very low61.5Low75 Ų7592.4 Ų92.462%0.6248%0.479SS*.Hα-helixtrans-68.9-25.9177.800000115.3D167D167-A169 PolarHBondContact O-N 2.92Å
170K52.6Low60.9Low155 Ų15598 Ų9867%0.67450%0.498SS*.Hα-helixtrans-91.1-43.5-179.9-70.5-174.7-178.1174.50112.1D167 E168 P174D167-K170 PolarHBondContact O-N 3.33Å; E168-K170 PolarHBondContact O-N 3.31Å; K170-P174 VanDerWaalsContact O-CD 3.32Å; K170-P174 WeakPolarHBondContact O-CD 3.35Å
171I53.6Low60.6Low74 Ų7499.8 Ų99.838%0.37952%0.519SS..Hα-helixtrans-76.3-32.2-179.7-61.1176.3000110.6D167 K173 P174 V175 L194D167-I171 HydrophobicContact CB-CD1 3.92Å; D167-I171 HydrophobicContact CB-CG1 4.3Å; D167-I171 VanDerWaalsContact O-CB 3.28Å; D167-I171 WeakPolarHBondContact O-CB 3.28Å; D167-I171 WeakPolarHBondContact O-CG1 3.4Å; D167-I171 PolarHBondContact O-N 3.36Å; I171-K173 PolarHBondContact O-N 3.08Å; I171-K173 VanDerWaalsContact O-N 3.15Å; I171-P174 WeakPolarHBondContact O-CD 3.42Å; I171-P174 WeakPolarHBondContact O-CG 3.41Å; I171-V175 HydrophobicContact CG2-CB 4.38Å; I171-V175 HydrophobicContact CG2-CG2 3.48Å; I171-V175 VanDerWaalsContact CG2-CG2 3.48Å; I171-V175 VanDerWaalsContact O-CB 3.28Å; I171-V175 WeakPolarHBondContact O-CB 3.34Å; I171-V175 WeakPolarHBondContact O-CG2 3.13Å; I171-V175 PolarHBondContact O-N 3.27Å; I171-L194 HydrophobicContact CG2-CD1 4.29Å
172A56.6Low60.7Low43 Ų4396.1 Ų96.136%0.35551%0.505SS..Hα-helixtrans-63.1-21.3178.900000114.3E168 S176E168-A172 WeakPolarHBondContact O-CA 3.48Å; E168-A172 WeakPolarHBondContact O-CB 3.44Å; E168-A172 PolarHBondContact O-N 3.36Å; A172-S176 WeakPolarHBondContact O-CA 3.38Å; A172-S176 WeakPolarHBondContact O-CB 3.32Å; A172-S176 PolarHBondContact O-N 2.89Å; A172-S176 PolarHBondContact O-OG 2.67Å
173K60.9Low61Low157 Ų15794.7 Ų94.768%0.68350%0.498SS*.Hα-helixtrans-67.6-61.7174.1-77.7-176.4178.5178.70112I171 S176 L177I171-K173 PolarHBondContact O-N 3.08Å; I171-K173 VanDerWaalsContact O-N 3.15Å; K173-S176 PolarHBondContact O-OG 3.05Å; K173-L177 WeakPolarHBondContact O-CG 3.46Å; K173-L177 PolarHBondContact O-N 3.32Å; K173-L177 VanDerWaalsContact O-N 3.11Å
174P62Low61.5Low81 Ų81101.5 Ų101.553%0.52653%0.526SS..Hα-helixtrans-64.8-37.5175.724.3-32.8000112.8K170 I171 L177 L178K170-P174 VanDerWaalsContact O-CD 3.32Å; K170-P174 WeakPolarHBondContact O-CD 3.35Å; I171-P174 WeakPolarHBondContact O-CD 3.42Å; I171-P174 WeakPolarHBondContact O-CG 3.41Å; P174-L177 PolarHBondContact O-N 3.13Å; P174-L178 WeakPolarHBondContact O-CB 3.4Å; P174-L178 PolarHBondContact O-N 2.84Å
175V64.5Low62.6Low37 Ų37104.6 Ų104.622%0.22454%0.535CS..Hα-helixtrans-67.3-44.8177.81710000111.9I171 L177 L178 E179 L194I171-V175 HydrophobicContact CG2-CB 4.38Å; I171-V175 HydrophobicContact CG2-CG2 3.48Å; I171-V175 VanDerWaalsContact CG2-CG2 3.48Å; I171-V175 VanDerWaalsContact O-CB 3.28Å; I171-V175 WeakPolarHBondContact O-CB 3.34Å; I171-V175 WeakPolarHBondContact O-CG2 3.13Å; I171-V175 PolarHBondContact O-N 3.27Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 3.44Å; V175-L178 PolarHBondContact O-N 3.4Å; V175-E179 VanDerWaalsContact O-CB 3.25Å; V175-E179 WeakPolarHBondContact O-CB 3.31Å; V175-E179 PolarHBondContact O-N 2.68Å; V175-L194 HydrophobicContact CG1-CD2 3.93Å; V175-L194 HydrophobicContact CG2-CD2 4.08Å
176S64.2Low64.1Low35 Ų3596.7 Ų96.725%0.24550%0.503CS..Hα-helixtrans-70.1-25.4177.672.10000113.1A172 K173 K180A172-S176 WeakPolarHBondContact O-CA 3.38Å; A172-S176 WeakPolarHBondContact O-CB 3.32Å; A172-S176 PolarHBondContact O-N 2.89Å; A172-S176 PolarHBondContact O-OG 2.67Å; K173-S176 PolarHBondContact O-OG 3.05Å; S176-K180 VanDerWaalsContact O-CB 3.22Å; S176-K180 WeakPolarHBondContact O-CB 3.34Å; S176-K180 WeakPolarHBondContact O-CD 3.42Å; S176-K180 WeakPolarHBondContact O-CG 3.41Å; S176-K180 PolarHBondContact O-N 2.71Å
177L67.3Low65.6Low120 Ų12091 Ų9163%0.62848%0.479SS*.Hα-helixtrans-67.3-45.6169.2-76.6168.4000111.1K173 P174 V175 K180 A181K173-L177 WeakPolarHBondContact O-CG 3.46Å; K173-L177 PolarHBondContact O-N 3.32Å; K173-L177 VanDerWaalsContact O-N 3.11Å; P174-L177 PolarHBondContact O-N 3.13Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 3.44Å; L177-K180 PolarHBondContact O-N 3.32Å; L177-A181 WeakPolarHBondContact O-CB 3.34Å; L177-A181 PolarHBondContact O-N 3.03Å
178L68.2Low67.3Low101 Ų10190.5 Ų90.553%0.52949%0.49SS..Hα-helixtrans-63.9-41.9175.8-168.870.6000111.8P174 V175 A181 A182 L190P174-L178 WeakPolarHBondContact O-CB 3.4Å; P174-L178 PolarHBondContact O-N 2.84Å; V175-L178 PolarHBondContact O-N 3.4Å; L178-A181 PolarHBondContact O-N 3.13Å; L178-A182 VanDerWaalsContact O-CB 3.25Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.39Å; L178-L190 HydrophobicContact CD2-CD1 4.43Å; L178-L190 HydrophobicContact CD2-CD2 4.04Å; L178-L190 HydrophobicContact CG-CD1 4.28Å
179E67.2Low68.9Low63 Ų6391 Ų9129%0.29449%0.49SS..Hα-helixtrans-68.2-36.6179-168.6177.8-144.400112.2V175 Q187V175-E179 VanDerWaalsContact O-CB 3.25Å; V175-E179 WeakPolarHBondContact O-CB 3.31Å; V175-E179 PolarHBondContact O-N 2.68Å; E179-Q187 HydrophobicContact CG-CB 4.26Å; E179-Q187 HydrophobicContact CG-CG 3.9Å; E179-Q187 PolarHBondContact O-NE2 3.24Å
180K72.7Confident70.3Confident164 Ų16490.4 Ų90.471%0.71348%0.475SS*.Hα-helixtrans-72.7-29.7172.9-75.2168.1-175.8169.70113.5S176 L177S176-K180 VanDerWaalsContact O-CB 3.22Å; S176-K180 WeakPolarHBondContact O-CB 3.34Å; S176-K180 WeakPolarHBondContact O-CD 3.42Å; S176-K180 WeakPolarHBondContact O-CG 3.41Å; S176-K180 PolarHBondContact O-N 2.71Å; L177-K180 PolarHBondContact O-N 3.32Å
181A75.6Confident71.5Confident85 Ų8587.2 Ų87.270%0.70246%0.463SS*.Hα-helixtrans-81.1-24.9175.600000112.7L177 L178L177-A181 WeakPolarHBondContact O-CB 3.34Å; L177-A181 PolarHBondContact O-N 3.03Å; L178-A181 PolarHBondContact O-N 3.13Å
182A76.4Confident72.8Confident19 Ų1986.6 Ų86.616%0.15747%0.469CS..SBendtrans-77.2140.518000000112.3L178 C186 L190L178-A182 VanDerWaalsContact O-CB 3.25Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.39Å; A182-C186 HydrophobicContact CB-CB 4.11Å; A182-L190 HydrophobicContact CB-CD1 3.62Å
183P81.8Confident74Confident69 Ų6990.6 Ų90.645%0.44848%0.48SS..  trans-54.6146.9168.3-25.734.7000112.1W185 C186 Q187P183-W185 HydrophobicContact CB-CG 4.38Å; P183-W185 PolarHBondContact O-N 2.71Å; P183-C186 WeakPolarHBondContact O-CA 2.84Å; P183-C186 VanDerWaalsContact O-CB 3.31Å; P183-C186 WeakPolarHBondContact O-CB 3.34Å; P183-C186 PolarHBondContact O-N 3.39Å; P183-Q187 PolarHBondContact O-N 2.89Å
184Q75.6Confident74.8Confident162 Ų16285 Ų8576%0.75746%0.458SS*.Hα-helixtrans-52-34.9-178.6-79.7-116.4-81.400114.2C186 Q187Q184-C186 PolarHBondContact O-N 3.26Å; Q184-Q187 PolarHBondContact O-N 3.35Å
185W78.4Confident75.7Confident194 Ų19484.7 Ų84.774%0.73545%0.454SS*.Hα-helixtrans-68.7-18.8177.270.5-97.3000113.9P183P183-W185 HydrophobicContact CB-CG 4.38Å; P183-W185 PolarHBondContact O-N 2.71Å
186C81.6Confident76.6Confident26 Ų2685.6 Ų85.618%0.17647%0.465CS..Hα-helixtrans-88.7-28.4175.8-57.40000113.2A182 P183 Q184 G188 K189 L190A182-C186 HydrophobicContact CB-CB 4.11Å; P183-C186 WeakPolarHBondContact O-CA 2.84Å; P183-C186 VanDerWaalsContact O-CB 3.31Å; P183-C186 WeakPolarHBondContact O-CB 3.34Å; P183-C186 PolarHBondContact O-N 3.39Å; Q184-C186 PolarHBondContact O-N 3.26Å; C186-G188 VanDerWaalsContact C-N 3.34Å; C186-G188 PolarHBondContact O-N 3.49Å; C186-K189 WeakPolarHBondContact O-CA 2.97Å; C186-K189 WeakPolarHBondContact O-CB 3.38Å; C186-K189 PolarHBondContact O-N 3.49Å; C186-L190 PolarHBondContact O-N 2.92Å; C186-L190 VanDerWaalsContact O-N 3.08Å
187Q77.4Confident77.3Confident45 Ų4588.7 Ų88.721%0.2148%0.476CS..Hα-helixtrans-55.6-46.4-172-69.6175.7-26.500112.1E179 P183 Q184 K189 L190 Q191E179-Q187 HydrophobicContact CG-CB 4.26Å; E179-Q187 HydrophobicContact CG-CG 3.9Å; E179-Q187 PolarHBondContact O-NE2 3.24Å; P183-Q187 PolarHBondContact O-N 2.89Å; Q184-Q187 PolarHBondContact O-N 3.35Å; Q187-K189 VanDerWaalsContact C-N 3.26Å; Q187-K189 PolarHBondContact O-N 3.03Å; Q187-L190 PolarHBondContact O-N 3.37Å; Q187-L190 VanDerWaalsContact O-N 3.17Å; Q187-Q191 PolarHBondContact O-N 3.4Å
188G79.8Confident77.9Confident55 Ų5586 Ų8657%0.56746%0.464SS*.Hα-helixtrans-60.7-30.317600000114.4C186 A192C186-G188 VanDerWaalsContact C-N 3.34Å; C186-G188 PolarHBondContact O-N 3.49Å; G188-A192 VanDerWaalsContact O-CB 3.29Å; G188-A192 WeakPolarHBondContact O-CB 3.44Å; G188-A192 PolarHBondContact O-N 2.91Å; G188-A192 VanDerWaalsContact O-N 3.12Å
189K81.1Confident78.6Confident151 Ų15183.9 Ų83.966%0.65745%0.453SS*.Hα-helixtrans-75.2-39.8175.1-67-165.2177.4-1710112.2C186 Q187 A192 H193C186-K189 WeakPolarHBondContact O-CA 2.97Å; C186-K189 WeakPolarHBondContact O-CB 3.38Å; C186-K189 PolarHBondContact O-N 3.49Å; Q187-K189 VanDerWaalsContact C-N 3.26Å; Q187-K189 PolarHBondContact O-N 3.03Å; K189-A192 PolarHBondContact O-N 2.9Å; K189-H193 WeakPolarHBondContact O-CB 3.49Å; K189-H193 PolarHBondContact O-N 3.46Å
190L78.1Confident79.4Confident62 Ų6286.5 Ų86.533%0.32547%0.469SS..Hα-helixtrans-62.2-46.3176-70171.6000110.9L178 A182 C186 Q187 H193 L194L178-L190 HydrophobicContact CD2-CD1 4.43Å; L178-L190 HydrophobicContact CD2-CD2 4.04Å; L178-L190 HydrophobicContact CG-CD1 4.28Å; A182-L190 HydrophobicContact CB-CD1 3.62Å; C186-L190 PolarHBondContact O-N 2.92Å; C186-L190 VanDerWaalsContact O-N 3.08Å; Q187-L190 PolarHBondContact O-N 3.37Å; Q187-L190 VanDerWaalsContact O-N 3.17Å; L190-H193 PolarHBondContact O-N 3.18Å; L190-L194 PolarHBondContact O-N 2.92Å
191Q78.9Confident79.9Confident89 Ų8983 Ų8342%0.41646%0.457SS..Hα-helixtrans-66.4-41.1179.1-169.869-34.800112.2Q187 H193 L194 V195Q187-Q191 PolarHBondContact O-N 3.4Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-H193 PolarHBondContact O-N 3.5Å; Q191-L194 PolarHBondContact O-N 2.73Å; Q191-V195 WeakPolarHBondContact O-CG2 3.39Å; Q191-V195 PolarHBondContact O-N 3.44Å
192A80.8Confident80.3Confident61 Ų6181 Ų8150%0.50443%0.432SS..Hα-helixtrans-61.1-40.1173.200000112.4G188 K189 A196G188-A192 VanDerWaalsContact O-CB 3.29Å; G188-A192 WeakPolarHBondContact O-CB 3.44Å; G188-A192 PolarHBondContact O-N 2.91Å; G188-A192 VanDerWaalsContact O-N 3.12Å; K189-A192 PolarHBondContact O-N 2.9Å; A192-A196 VanDerWaalsContact O-CB 3.29Å; A192-A196 WeakPolarHBondContact O-CB 3.43Å; A192-A196 PolarHBondContact O-N 3.09Å
193H81.9Confident80.9Confident127 Ų12783.5 Ų83.559%0.58844%0.442SS*.Hα-helixtrans-66.1-43.5176.9-172.3-84.3000112.3K189 L190 Q191 A196 Q197K189-H193 WeakPolarHBondContact O-CB 3.49Å; K189-H193 PolarHBondContact O-N 3.46Å; L190-H193 PolarHBondContact O-N 3.18Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-H193 PolarHBondContact O-N 3.5Å; H193-A196 PolarHBondContact O-N 2.87Å; H193-Q197 WeakPolarHBondContact O-CB 3.49Å; H193-Q197 PolarHBondContact O-N 3.45Å
194L78.3Confident81.1Confident40 Ų4084.8 Ų84.821%0.20944%0.443CS..Hα-helixtrans-63.3-43.6177.7-177.665000111.9I171 V175 L190 Q191 Q197 T198I171-L194 HydrophobicContact CG2-CD1 4.29Å; V175-L194 HydrophobicContact CG1-CD2 3.93Å; V175-L194 HydrophobicContact CG2-CD2 4.08Å; L190-L194 PolarHBondContact O-N 2.92Å; Q191-L194 PolarHBondContact O-N 2.73Å; L194-Q197 PolarHBondContact O-N 2.9Å; L194-T198 WeakPolarHBondContact O-CB 3.2Å; L194-T198 PolarHBondContact O-N 3.46Å; L194-T198 PolarHBondContact O-OG1 2.71Å
195V81Confident81.8Confident74 Ų7477.3 Ų77.345%0.44841%0.409SS..Hα-helixtrans-62.8-43.9174.81710000110.8Q191 T198 N199Q191-V195 WeakPolarHBondContact O-CG2 3.39Å; Q191-V195 PolarHBondContact O-N 3.44Å; V195-T198 PolarHBondContact O-N 2.71Å; V195-N199 WeakPolarHBondContact CG1-ND2 3.38Å; V195-N199 VanDerWaalsContact O-CB 3.26Å; V195-N199 WeakPolarHBondContact O-CB 3.49Å; V195-N199 PolarHBondContact O-N 3.24Å; V195-N199 PolarHBondContact O-ND2 2.92Å
196A81.8Confident82.4Confident55 Ų5571.4 Ų71.446%0.45539%0.389SS..Hα-helixtrans-61.8-44.9176.100000112.4A192 H193 N199 L200A192-A196 VanDerWaalsContact O-CB 3.29Å; A192-A196 WeakPolarHBondContact O-CB 3.43Å; A192-A196 PolarHBondContact O-N 3.09Å; H193-A196 PolarHBondContact O-N 2.87Å; A196-N199 PolarHBondContact O-N 3.2Å; A196-L200 WeakPolarHBondContact O-CB 3.27Å; A196-L200 PolarHBondContact O-N 3.14Å
197Q80.6Confident82.9Confident100 Ų10076.9 Ų76.947%0.46741%0.412SS..Hα-helixtrans-63.4-44.2178.2-174.6176.615.800112.1H193 L194 N199 L200 L201H193-Q197 WeakPolarHBondContact O-CB 3.49Å; H193-Q197 PolarHBondContact O-N 3.45Å; L194-Q197 PolarHBondContact O-N 2.9Å; Q197-N199 VanDerWaalsContact C-N 3.33Å; Q197-L200 PolarHBondContact O-N 3.12Å; Q197-L201 HydrophobicContact CG-CD1 4.44Å; Q197-L201 PolarHBondContact O-N 3.32Å
198T78.9Confident83.6Confident63 Ų6379.3 Ų79.339%0.38742%0.423SS..Hα-helixtrans-66.3-38177.7-51.90000111.2L194 V195 R202L194-T198 WeakPolarHBondContact O-CB 3.2Å; L194-T198 PolarHBondContact O-N 3.46Å; L194-T198 PolarHBondContact O-OG1 2.71Å; V195-T198 PolarHBondContact O-N 2.71Å; T198-R202 WeakPolarHBondContact O-CB 3.31Å; T198-R202 PolarHBondContact O-N 3.14Å
199N82.8Confident84.2Confident57 Ų5777.8 Ų77.831%0.30540%0.402SS..Hα-helixtrans-68.5-38.5175.1-74.8-25.4000112.4V195 A196 Q197 R202 N203V195-N199 WeakPolarHBondContact CG1-ND2 3.38Å; V195-N199 VanDerWaalsContact O-CB 3.26Å; V195-N199 WeakPolarHBondContact O-CB 3.49Å; V195-N199 PolarHBondContact O-N 3.24Å; V195-N199 PolarHBondContact O-ND2 2.92Å; A196-N199 PolarHBondContact O-N 3.2Å; Q197-N199 VanDerWaalsContact C-N 3.33Å; N199-R202 PolarHBondContact O-N 3.07Å; N199-R202 PolarHBondContact OD1-NH2 2.92Å; N199-N203 WeakPolarHBondContact O-CB 3.34Å; N199-N203 PolarHBondContact O-N 3.1Å; N199-N203 PolarHBondContact O-OD1 2.67Å; N199-N203 VanDerWaalsContact O-OD1 3.11Å
200L85Confident84.9Confident118 Ų11875.4 Ų75.462%0.61840%0.395SS*.Hα-helixtrans-62-50.1176.5-179.964.2000111.4A196 Q197 R202 N203 Q204A196-L200 WeakPolarHBondContact O-CB 3.27Å; A196-L200 PolarHBondContact O-N 3.14Å; Q197-L200 PolarHBondContact O-N 3.12Å; L200-R202 VanDerWaalsContact C-N 3.33Å; L200-R202 PolarHBondContact O-N 3.2Å; L200-N203 PolarHBondContact O-N 3.45Å; L200-Q204 WeakPolarHBondContact O-CB 3.36Å; L200-Q204 PolarHBondContact O-N 3.04Å
201L83.2Confident85.7Confident91 Ų9179.7 Ų79.748%0.47641%0.412SS..Hα-helixtrans-58.4-43.7177.6-76.4163.3000112.3Q197 Q204 A205Q197-L201 HydrophobicContact CG-CD1 4.44Å; Q197-L201 PolarHBondContact O-N 3.32Å; L201-Q204 PolarHBondContact O-N 3.15Å; L201-A205 PolarHBondContact O-N 3.29Å
202R83.6Confident86.4Confident43 Ų4376.3 Ų76.316%0.16240%0.399CS..Hα-helixtrans-66.1-43.2177.6-179.8-176.247.956.513.3112.1Y157 T198 N199 L200 Q204 A205 E206Y157-R202 HydrophobicContact CD2-CG 4.45Å; Y157-R202 HydrophobicContact CE2-CG 3.76Å; T198-R202 WeakPolarHBondContact O-CB 3.31Å; T198-R202 PolarHBondContact O-N 3.14Å; N199-R202 PolarHBondContact O-N 3.07Å; N199-R202 PolarHBondContact OD1-NH2 2.92Å; L200-R202 VanDerWaalsContact C-N 3.33Å; L200-R202 PolarHBondContact O-N 3.2Å; R202-Q204 VanDerWaalsContact C-N 3.33Å; R202-A205 PolarHBondContact O-N 3.37Å; R202-E206 IonicContact NH1-OE2 3.53Å; R202-E206 WeakPolarHBondContact O-CB 3.19Å; R202-E206 PolarHBondContact O-N 2.89Å
203N87.6Confident87.1Confident71 Ų7177.3 Ų77.338%0.3839%0.393SS..Hα-helixtrans-64.6-37.7176.4-71.713000111.3N199 L200 E206 E207N199-N203 WeakPolarHBondContact O-CB 3.34Å; N199-N203 PolarHBondContact O-N 3.1Å; N199-N203 PolarHBondContact O-OD1 2.67Å; N199-N203 VanDerWaalsContact O-OD1 3.11Å; L200-N203 PolarHBondContact O-N 3.45Å; N203-E206 WeakPolarHBondContact O-CB 3.41Å; N203-E206 PolarHBondContact O-N 2.86Å; N203-E207 WeakPolarHBondContact O-CG 3.45Å; N203-E207 PolarHBondContact O-N 3.24Å
204Q87.9Confident87.7Confident97 Ų9778.1 Ų78.145%0.45340%0.395SS..Hα-helixtrans-63.6-45.4175.4-175.8-177.7-21.100111.6L200 L201 R202 E206 E207 E208L200-Q204 WeakPolarHBondContact O-CB 3.36Å; L200-Q204 PolarHBondContact O-N 3.04Å; L201-Q204 PolarHBondContact O-N 3.15Å; R202-Q204 VanDerWaalsContact C-N 3.33Å; Q204-E206 VanDerWaalsContact C-N 3.27Å; Q204-E206 PolarHBondContact O-N 3.39Å; Q204-E207 PolarHBondContact O-N 2.96Å; Q204-E208 PolarHBondContact NE2-OE1 3.12Å; Q204-E208 WeakPolarHBondContact O-CG 3.45Å; Q204-E208 PolarHBondContact O-N 2.96Å
205A88.3Confident88.5Confident5 Ų578.7 Ų78.74%0.04140%0.4CS..Hα-helixtrans-64.3-31.8175.300000112.7Y157 L160 L201 R202 L209Y157-A205 HydrophobicContact CD2-CB 4.1Å; L160-A205 HydrophobicContact CD1-CB 3.56Å; L201-A205 PolarHBondContact O-N 3.29Å; R202-A205 PolarHBondContact O-N 3.37Å; A205-L209 VanDerWaalsContact O-CB 3.31Å; A205-L209 WeakPolarHBondContact O-CB 3.15Å; A205-L209 PolarHBondContact O-N 2.93Å
206E90.9Very high89.2Confident70 Ų7075.7 Ų75.733%0.32738%0.381SS..Hα-helixtrans-67.1-44173-170.8161.5-140.100112Y157 R202 N203 Q204 L209 I210Y157-E206 HydrophobicContact CD2-CB 4.15Å; Y157-E206 HydrophobicContact CE2-CB 3.64Å; Y157-E206 HydrophobicContact CE2-CG 4.16Å; Y157-E206 PolarHBondContact OH-OE1 3.44Å; R202-E206 IonicContact NH1-OE2 3.53Å; R202-E206 WeakPolarHBondContact O-CB 3.19Å; R202-E206 PolarHBondContact O-N 2.89Å; N203-E206 WeakPolarHBondContact O-CB 3.41Å; N203-E206 PolarHBondContact O-N 2.86Å; Q204-E206 VanDerWaalsContact C-N 3.27Å; Q204-E206 PolarHBondContact O-N 3.39Å; E206-L209 PolarHBondContact O-N 2.76Å; E206-I210 HydrophobicContact CG-CD1 4.13Å; E206-I210 WeakPolarHBondContact O-CD1 3.28Å; E206-I210 VanDerWaalsContact O-CG1 3.26Å; E206-I210 WeakPolarHBondContact O-CG1 3.13Å; E206-I210 PolarHBondContact O-N 2.88Å
207E93.4Very high89.8Confident140 Ų14076.6 Ų76.665%0.65438%0.376SS*.Hα-helixtrans-62.9-41.4173.2-73.8179.5-166.100112.3N203 Q204 K211N203-E207 WeakPolarHBondContact O-CG 3.45Å; N203-E207 PolarHBondContact O-N 3.24Å; Q204-E207 PolarHBondContact O-N 2.96Å; E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.45Å; E207-K211 PolarHBondContact O-N 3.37Å
208E91.4Very high90.4Very high96 Ų9677.4 Ų77.445%0.44938%0.38SS..Hα-helixtrans-65.3-40.7176.3-73.4178.7-158.900111.8Q204 K211 A212Q204-E208 PolarHBondContact NE2-OE1 3.12Å; Q204-E208 WeakPolarHBondContact O-CG 3.45Å; Q204-E208 PolarHBondContact O-N 2.96Å; E208-K211 PolarHBondContact O-N 3.4Å; E208-A212 WeakPolarHBondContact O-CB 3.46Å; E208-A212 PolarHBondContact O-N 2.89Å
209L93.6Very high91.1Very high23 Ų2375.5 Ų75.512%0.1237%0.367CS..Hα-helixtrans-61.3-52.1173.117356.6000112Y150 A153 R154 Y157 A205 E206 K211 A212 Q213Y150-L209 HydrophobicContact CD2-CD1 3.78Å; Y150-L209 HydrophobicContact CE2-CD1 3.54Å; A153-L209 HydrophobicContact CB-CB 4.34Å; A153-L209 HydrophobicContact CB-CD1 4.3Å; R154-L209 HydrophobicContact CB-CD1 3.86Å; Y157-L209 HydrophobicContact CD1-CD2 3.54Å; Y157-L209 HydrophobicContact CE1-CD2 4.3Å; Y157-L209 HydrophobicContact CG-CD2 4.05Å; A205-L209 VanDerWaalsContact O-CB 3.31Å; A205-L209 WeakPolarHBondContact O-CB 3.15Å; A205-L209 PolarHBondContact O-N 2.93Å; E206-L209 PolarHBondContact O-N 2.76Å; L209-K211 PolarHBondContact O-N 2.83Å; L209-A212 PolarHBondContact O-N 3.46Å; L209-Q213 WeakPolarHBondContact O-CB 3.42Å; L209-Q213 PolarHBondContact O-N 3.23Å
210I95.4Very high91.7Very high101 Ų10173.2 Ų73.252%0.51835%0.354SS..Hα-helixtrans-58.6-39.8179.1-68.8163.3000110.6E206 K214E206-I210 HydrophobicContact CG-CD1 4.13Å; E206-I210 WeakPolarHBondContact O-CD1 3.28Å; E206-I210 VanDerWaalsContact O-CG1 3.26Å; E206-I210 WeakPolarHBondContact O-CG1 3.13Å; E206-I210 PolarHBondContact O-N 2.88Å; I210-K214 WeakPolarHBondContact O-CB 3.5Å; I210-K214 PolarHBondContact O-N 2.95Å
211K95.4Very high92.1Very high153 Ų15370.6 Ų70.667%0.66534%0.343SS*.Hα-helixtrans-68.2-42.9177.5-175176.4-177.4175.10112.6E207 E208 L209 V215E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.45Å; E207-K211 PolarHBondContact O-N 3.37Å; E208-K211 PolarHBondContact O-N 3.4Å; L209-K211 PolarHBondContact O-N 2.83Å; K211-V215 WeakPolarHBondContact O-CG2 3.33Å; K211-V215 PolarHBondContact O-N 3.44Å
212A93.3Very high92.7Very high18 Ų1869.5 Ų69.515%0.14934%0.338CS..Hα-helixtrans-64.9-44.2176.600000111.2A153 E208 L209 V215 F216A153-A212 HydrophobicContact CB-CB 4.07Å; E208-A212 WeakPolarHBondContact O-CB 3.46Å; E208-A212 PolarHBondContact O-N 2.89Å; L209-A212 PolarHBondContact O-N 3.46Å; A212-V215 PolarHBondContact O-N 2.83Å; A212-F216 WeakPolarHBondContact O-CB 3.44Å; A212-F216 PolarHBondContact O-N 3.2Å
213Q94.3Very high93.3Very high82 Ų8267.5 Ų67.538%0.38333%0.33SS..Hα-helixtrans-57.4-51.6175.6-170-1785.300111.2Y150 L209 V215 F216 E217Y150-Q213 HydrophobicContact CD2-CB 3.66Å; Y150-Q213 HydrophobicContact CD2-CG 4.13Å; Y150-Q213 HydrophobicContact CE2-CB 3.59Å; Y150-Q213 HydrophobicContact CE2-CG 3.68Å; L209-Q213 WeakPolarHBondContact O-CB 3.42Å; L209-Q213 PolarHBondContact O-N 3.23Å; Q213-V215 VanDerWaalsContact C-N 3.34Å; Q213-V215 PolarHBondContact O-N 3.43Å; Q213-F216 PolarHBondContact O-N 3.08Å; Q213-E217 WeakPolarHBondContact O-CB 3.38Å; Q213-E217 PolarHBondContact O-N 3.42Å
214K96.2Very high93.6Very high143 Ų14368.1 Ų68.162%0.62233%0.331SS*.Hα-helixtrans-56.6-47.4-179.8-176.9-177.9174.5-174.70112I210 F216 E217 E218I210-K214 WeakPolarHBondContact O-CB 3.5Å; I210-K214 PolarHBondContact O-N 2.95Å; K214-F216 VanDerWaalsContact C-N 3.33Å; K214-F216 PolarHBondContact O-N 3.19Å; K214-E217 PolarHBondContact O-N 3.33Å; K214-E218 WeakPolarHBondContact O-CB 3.16Å; K214-E218 PolarHBondContact O-N 3.03Å
215V95Very high93.8Very high52 Ų5270.4 Ų70.432%0.31534%0.341SS..Hα-helixtrans-70.2-30.3-177.3174.60000112.1K146 K211 A212 Q213 M219K146-V215 HydrophobicContact CD-CG1 4.18Å; K146-V215 HydrophobicContact CG-CG1 4.19Å; K211-V215 WeakPolarHBondContact O-CG2 3.33Å; K211-V215 PolarHBondContact O-N 3.44Å; A212-V215 PolarHBondContact O-N 2.83Å; Q213-V215 VanDerWaalsContact C-N 3.34Å; Q213-V215 PolarHBondContact O-N 3.43Å; V215-M219 HydrophobicContact CG1-CE 3.95Å; V215-M219 WeakPolarHBondContact O-CE 3.5Å
216F94.9Very high94.2Very high11 Ų1173.2 Ų73.25%0.04835%0.354CS..Hα-helixtrans-68.8-51169.5165.9-102.1000111.2R143 K146 L147 A212 Q213 K214 E218 M219 N220R143-F216 HydrophobicContact CG-CD2 4.17Å; R143-F216 HydrophobicContact CG-CE2 3.77Å; K146-F216 HydrophobicContact CB-CB 4.12Å; K146-F216 HydrophobicContact CB-CD2 4.33Å; L147-F216 HydrophobicContact CB-CD2 3.96Å; L147-F216 HydrophobicContact CB-CE2 3.77Å; L147-F216 HydrophobicContact CD1-CD2 4.27Å; L147-F216 HydrophobicContact CD1-CE1 4.31Å; L147-F216 HydrophobicContact CD1-CE2 3.76Å; L147-F216 HydrophobicContact CD1-CZ 3.78Å; L147-F216 HydrophobicContact CD2-CE2 4.49Å; L147-F216 HydrophobicContact CG-CE2 4.22Å; A212-F216 WeakPolarHBondContact O-CB 3.44Å; A212-F216 PolarHBondContact O-N 3.2Å; Q213-F216 PolarHBondContact O-N 3.08Å; K214-F216 VanDerWaalsContact C-N 3.33Å; K214-F216 PolarHBondContact O-N 3.19Å; F216-E218 PolarHBondContact O-N 3.18Å; F216-M219 PolarHBondContact O-N 2.97Å; F216-N220 HydrophobicContact CE1-CB 4.1Å; F216-N220 HydrophobicContact CE2-CB 4.32Å; F216-N220 HydrophobicContact CZ-CB 3.97Å; F216-N220 WeakPolarHBondContact O-CB 3.43Å; F216-N220 PolarHBondContact O-N 3.08Å
217E93.9Very high94.5Very high75 Ų7570.1 Ų70.135%0.3534%0.339SS..Hα-helixtrans-66.5-37.7-171.4-15962.7-117.300112.6Q213 K214 M219 N220 V221Q213-E217 WeakPolarHBondContact O-CB 3.38Å; Q213-E217 PolarHBondContact O-N 3.42Å; K214-E217 PolarHBondContact O-N 3.33Å; E217-M219 PolarHBondContact O-N 3.13Å; E217-N220 WeakPolarHBondContact O-CB 3.45Å; E217-N220 PolarHBondContact O-N 3.02Å; E217-N220 VanDerWaalsContact O-N 3.11Å; E217-N220 PolarHBondContact OE1-ND2 3.27Å; E217-V221 HydrophobicContact CG-CG2 4.37Å; E217-V221 WeakPolarHBondContact O-CG2 3.42Å; E217-V221 PolarHBondContact O-N 3.4Å
218E94.2Very high94.6Very high117 Ų11765.7 Ų65.755%0.54732%0.323SS..Hα-helixtrans-54.6-52.8174-174.5169.4-170.100111.2K214 F216 N220K214-E218 WeakPolarHBondContact O-CB 3.16Å; K214-E218 PolarHBondContact O-N 3.03Å; F216-E218 PolarHBondContact O-N 3.18Å; E218-N220 VanDerWaalsContact C-N 3.33Å; E218-N220 PolarHBondContact O-N 2.98Å
219M93.4Very high94.8Very high23 Ų2365 Ų6511%0.11333%0.328CS..Hα-helixtrans-73.1-22.5175.2-75.3-178.6-75.200114K142 K146 V215 F216 E217 L223K142-M219 HydrophobicContact CB-SD 4.26Å; K142-M219 HydrophobicContact CD-SD 3.65Å; K142-M219 HydrophobicContact CG-CE 4.2Å; K142-M219 HydrophobicContact CG-SD 3.67Å; K146-M219 HydrophobicContact CB-CE 4.29Å; K146-M219 HydrophobicContact CG-CE 3.45Å; K146-M219 VanDerWaalsContact CG-CE 3.45Å; V215-M219 HydrophobicContact CG1-CE 3.95Å; V215-M219 WeakPolarHBondContact O-CE 3.5Å; F216-M219 PolarHBondContact O-N 2.97Å; E217-M219 PolarHBondContact O-N 3.13Å; M219-L223 WeakPolarHBondContact O-CD1 3.47Å; M219-L223 WeakPolarHBondContact O-CG 3.36Å; M219-L223 PolarHBondContact O-N 3.24Å
220N94.1Very high95Very high8 Ų864.4 Ų64.44%0.04333%0.325CS..Hα-helixtrans-69-51.7177.6179.646.7000110.9R143 F216 E217 E218 L223 Q224R143-N220 PolarHBondContact NE-OD1 3.47Å; R143-N220 PolarHBondContact NH2-OD1 3.2Å; F216-N220 HydrophobicContact CE1-CB 4.1Å; F216-N220 HydrophobicContact CE2-CB 4.32Å; F216-N220 HydrophobicContact CZ-CB 3.97Å; F216-N220 WeakPolarHBondContact O-CB 3.43Å; F216-N220 PolarHBondContact O-N 3.08Å; E217-N220 WeakPolarHBondContact O-CB 3.45Å; E217-N220 PolarHBondContact O-N 3.02Å; E217-N220 VanDerWaalsContact O-N 3.11Å; E217-N220 PolarHBondContact OE1-ND2 3.27Å; E218-N220 VanDerWaalsContact C-N 3.33Å; E218-N220 PolarHBondContact O-N 2.98Å; N220-L223 PolarHBondContact O-N 3.39Å; N220-Q224 PolarHBondContact ND2-NE2 3.06Å; N220-Q224 WeakPolarHBondContact O-CB 3.39Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.34Å; N220-Q224 PolarHBondContact OD1-NE2 2.94Å
221V94.4Very high95.1Very high64 Ų6461.8 Ų61.839%0.38831%0.309SS..Hα-helixtrans-59.2-50.2-178.2171.30000110.6E217 L223 Q224 E225E217-V221 HydrophobicContact CG-CG2 4.37Å; E217-V221 WeakPolarHBondContact O-CG2 3.42Å; E217-V221 PolarHBondContact O-N 3.4Å; V221-L223 VanDerWaalsContact C-N 3.34Å; V221-L223 PolarHBondContact O-N 3.32Å; V221-Q224 PolarHBondContact O-N 3.41Å; V221-Q224 VanDerWaalsContact O-N 3.12Å; V221-E225 PolarHBondContact O-N 2.9Å; V221-E225 VanDerWaalsContact O-N 3.14Å
222D95.2Very high95.2Very high68 Ų6859.5 Ų59.536%0.36430%0.304SS..Hα-helixtrans-54.5-49.1178.8-58.5-17.9000111.8R139 Q224 E225 E226R139-D222 IonicContact NH2-OD2 2.68Å; R139-D222 PolarHBondContact NH2-OD2 2.87Å; D222-Q224 VanDerWaalsContact C-N 3.34Å; D222-Q224 PolarHBondContact O-N 3.21Å; D222-E225 PolarHBondContact O-N 2.92Å; D222-E226 WeakPolarHBondContact O-CB 3.45Å; D222-E226 WeakPolarHBondContact O-CG 3.09Å; D222-E226 PolarHBondContact O-N 2.92Å
223L96.3Very high95.4Very high0 Ų061 Ų610%031%0.313CS..Hα-helixtrans-71.4-27.5-178.4-70.3170.2000112.8F44 I136 R139 I140 R143 M219 N220 V221 E225 L227F44-L223 HydrophobicContact CE2-CB 3.71Å; F44-L223 HydrophobicContact CZ-CB 4.18Å; F44-L223 HydrophobicContact CZ-CD1 4.2Å; I136-L223 HydrophobicContact CG2-CD2 4.24Å; R139-L223 HydrophobicContact CB-CD1 4.23Å; R139-L223 HydrophobicContact CB-CD2 4.04Å; I140-L223 HydrophobicContact CG1-CD1 4.44Å; I140-L223 HydrophobicContact CG1-CD2 4.38Å; R143-L223 HydrophobicContact CB-CD1 3.89Å; R143-L223 HydrophobicContact CG-CD1 4.47Å; M219-L223 WeakPolarHBondContact O-CD1 3.47Å; M219-L223 WeakPolarHBondContact O-CG 3.36Å; M219-L223 PolarHBondContact O-N 3.24Å; N220-L223 PolarHBondContact O-N 3.39Å; V221-L223 VanDerWaalsContact C-N 3.34Å; V221-L223 PolarHBondContact O-N 3.32Å; L223-E225 VanDerWaalsContact C-N 3.29Å; L223-L227 HydrophobicContact CB-CD1 4.35Å; L223-L227 WeakPolarHBondContact O-CB 3.44Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 3.39Å; L223-L227 VanDerWaalsContact O-N 3.09Å
224Q93.3Very high95.6Very high85 Ų8559.7 Ų59.740%0.39731%0.305SS..Hα-helixtrans-68.7-27172.5-76.9-174.41.600112.3D41 F44 N220 V221 D222 P228D41-Q224 PolarHBondContact OD2-NE2 3.1Å; F44-Q224 HydrophobicContact CD2-CG 4.12Å; N220-Q224 PolarHBondContact ND2-NE2 3.06Å; N220-Q224 WeakPolarHBondContact O-CB 3.39Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.34Å; N220-Q224 PolarHBondContact OD1-NE2 2.94Å; V221-Q224 PolarHBondContact O-N 3.41Å; V221-Q224 VanDerWaalsContact O-N 3.12Å; D222-Q224 VanDerWaalsContact C-N 3.34Å; D222-Q224 PolarHBondContact O-N 3.21Å; Q224-P228 WeakPolarHBondContact O-CD 3.4Å; Q224-P228 VanDerWaalsContact O-CG 3.28Å; Q224-P228 WeakPolarHBondContact O-CG 3.45Å
225E93.3Very high95.7Very high144 Ų14456.8 Ų56.867%0.67330%0.299SS*.Hα-helixtrans-86-43.8172.5-63.8-168.5172.300112.5V221 D222 L223 S229V221-E225 PolarHBondContact O-N 2.9Å; V221-E225 VanDerWaalsContact O-N 3.14Å; D222-E225 PolarHBondContact O-N 2.92Å; L223-E225 VanDerWaalsContact C-N 3.29Å; E225-S229 WeakPolarHBondContact O-CB 3.38Å; E225-S229 PolarHBondContact O-N 2.83Å
226E96.4Very high95.8Very high64 Ų6456 Ų5630%0.29930%0.302SS..Hα-helixtrans-70.3-43.1-175.1-74.3177.9-135.800113.6R139 D222 S229 L230R139-E226 IonicContact CZ-OE1 2.61Å; R139-E226 VanDerWaalsContact CZ-OE1 3.25Å; R139-E226 IonicContact CZ-OE2 3.39Å; R139-E226 IonicContact NH1-OE1 2.82Å; R139-E226 PolarHBondContact NH1-OE1 2.88Å; R139-E226 IonicContact NH1-OE2 3.99Å; R139-E226 PolarHBondContact NH1-OE2 3.11Å; R139-E226 IonicContact NH2-OE1 3.54Å; R139-E226 PolarHBondContact NH2-OE1 3.39Å; R139-E226 IonicContact NH2-OE2 2.63Å; D222-E226 WeakPolarHBondContact O-CB 3.45Å; D222-E226 WeakPolarHBondContact O-CG 3.09Å; D222-E226 PolarHBondContact O-N 2.92Å; E226-S229 WeakPolarHBondContact O-CB 3.44Å; E226-S229 PolarHBondContact O-N 3.46Å; E226-L230 WeakPolarHBondContact O-CB 3.36Å; E226-L230 PolarHBondContact O-N 3.03Å
227L96.9Very high95.9Very high6 Ų656.2 Ų56.23%0.03130%0.303CS..Hα-helixtrans-64.7-43.5-174.7-64173.7000113.2F44 C47 V48 F51 I136 I140 L223 S229 W231F44-L227 HydrophobicContact CD2-CD1 4.47Å; F44-L227 HydrophobicContact CE2-CD1 3.75Å; F44-L227 HydrophobicContact CZ-CD1 3.86Å; C47-L227 HydrophobicContact CB-CB 4.07Å; C47-L227 HydrophobicContact CB-CD1 4.09Å; V48-L227 HydrophobicContact CG2-CD1 4.35Å; F51-L227 HydrophobicContact CB-CD2 4.22Å; F51-L227 HydrophobicContact CD2-CD2 3.76Å; F51-L227 HydrophobicContact CE2-CD2 4.47Å; F51-L227 HydrophobicContact CG-CD2 4.17Å; I136-L227 HydrophobicContact CG2-CD2 3.5Å; I140-L227 HydrophobicContact CD1-CD1 4.4Å; I140-L227 HydrophobicContact CD1-CD2 3.93Å; I140-L227 HydrophobicContact CG1-CD1 4.34Å; I140-L227 HydrophobicContact CG1-CD2 4.44Å; L223-L227 HydrophobicContact CB-CD1 4.35Å; L223-L227 WeakPolarHBondContact O-CB 3.44Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 3.39Å; L223-L227 VanDerWaalsContact O-N 3.09Å; L227-S229 VanDerWaalsContact C-N 3.34Å; L227-W231 VanDerWaalsContact O-CB 3.31Å; L227-W231 WeakPolarHBondContact O-CB 3.31Å; L227-W231 PolarHBondContact O-N 3.36Å
228P95.8Very high96.1Very high47 Ų4755.1 Ų55.131%0.30530%0.296SS..Hα-helixtrans-65.9-35.1172.2-2235.2000113.1Q224 W231 N232Q224-P228 WeakPolarHBondContact O-CD 3.4Å; Q224-P228 VanDerWaalsContact O-CG 3.28Å; Q224-P228 WeakPolarHBondContact O-CG 3.45Å; P228-W231 PolarHBondContact O-N 3.01Å; P228-N232 WeakPolarHBondContact O-CB 3.43Å; P228-N232 VanDerWaalsContact O-CG 3.24Å; P228-N232 PolarHBondContact O-N 3.45Å; P228-N232 PolarHBondContact O-ND2 3.01Å; P228-N232 VanDerWaalsContact O-ND2 3.13Å
229S96.3Very high96.3Very high81 Ų8152.9 Ų52.957%0.56629%0.289SS*.Hα-helixtrans-64.4-51.1177.1-172.60000111.3E225 E226 L227 W231 N232 S233E225-S229 WeakPolarHBondContact O-CB 3.38Å; E225-S229 PolarHBondContact O-N 2.83Å; E226-S229 WeakPolarHBondContact O-CB 3.44Å; E226-S229 PolarHBondContact O-N 3.46Å; L227-S229 VanDerWaalsContact C-N 3.34Å; S229-W231 VanDerWaalsContact C-N 3.34Å; S229-W231 PolarHBondContact O-N 3.44Å; S229-N232 PolarHBondContact O-N 2.96Å; S229-S233 PolarHBondContact O-N 3.45Å
230L97.6Very high96.4Very high10 Ų1056.1 Ų56.15%0.05231%0.307CS..Hα-helixtrans-59.3-44.3173.9-176.571.6000111F51 Q54 F133 I136 E226 N232 S233F51-L230 HydrophobicContact CD2-CD2 3.81Å; F51-L230 HydrophobicContact CE2-CD2 3.88Å; Q54-L230 PolarHBondContact NE2-O 2.75Å; F133-L230 HydrophobicContact CD1-CD2 4.26Å; F133-L230 HydrophobicContact CE1-CD2 3.86Å; F133-L230 HydrophobicContact CE2-CD1 4.44Å; F133-L230 HydrophobicContact CZ-CD1 4.38Å; F133-L230 HydrophobicContact CZ-CD2 4Å; F133-L230 HydrophobicContact CZ-CG 4.33Å; I136-L230 HydrophobicContact CD1-CD2 3.85Å; E226-L230 WeakPolarHBondContact O-CB 3.36Å; E226-L230 PolarHBondContact O-N 3.03Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 3Å; L230-S233 PolarHBondContact O-N 3.47Å; L230-S233 PolarHBondContact O-OG 3.21Å
231W97.9Very high96.5Very high46 Ų4655.9 Ų55.917%0.17431%0.306CS..Hα-helixtrans-55.9-48.5175.8179.4-119.6000110.8N50 K53 Q54 L227 P228 S229 S233 R234N50-W231 HydrophobicContact CB-CD2 3.85Å; N50-W231 HydrophobicContact CB-CE3 3.81Å; N50-W231 HydrophobicContact CB-CG 4.38Å; N50-W231 HydrophobicContact CB-CH2 4.34Å; N50-W231 HydrophobicContact CB-CZ2 4.35Å; N50-W231 HydrophobicContact CB-CZ3 4.07Å; N50-W231 WeakPolarHBondContact O-CZ3 3.31Å; K53-W231 HydrophobicContact CD-CH2 4.35Å; Q54-W231 HydrophobicContact CB-CE3 3.96Å; Q54-W231 HydrophobicContact CB-CZ3 3.89Å; Q54-W231 HydrophobicContact CG-CE3 4.25Å; Q54-W231 HydrophobicContact CG-CZ3 4.42Å; L227-W231 VanDerWaalsContact O-CB 3.31Å; L227-W231 WeakPolarHBondContact O-CB 3.31Å; L227-W231 PolarHBondContact O-N 3.36Å; P228-W231 PolarHBondContact O-N 3.01Å; S229-W231 VanDerWaalsContact C-N 3.34Å; S229-W231 PolarHBondContact O-N 3.44Å; W231-S233 VanDerWaalsContact C-N 3.34Å; W231-S233 PolarHBondContact O-N 2.9Å; W231-R234 VanDerWaalsContact C-NH1 3.35Å; W231-R234 WeakPolarHBondContact O-CB 3.26Å; W231-R234 WeakPolarHBondContact O-CD 2.94Å; W231-R234 WeakPolarHBondContact O-CG 3.49Å; W231-R234 PolarHBondContact O-N 3.33Å; W231-R234 PolarHBondContact O-NH1 2.98Å
232N96.9Very high96.7Very high105 Ų10558 Ų5856%0.56131%0.31SS*.Hα-helixtrans-65.4-32.3-179.4-70.5-30000113.7P228 S229 L230 R234 V235P228-N232 WeakPolarHBondContact O-CB 3.43Å; P228-N232 VanDerWaalsContact O-CG 3.24Å; P228-N232 PolarHBondContact O-N 3.45Å; P228-N232 PolarHBondContact O-ND2 3.01Å; P228-N232 VanDerWaalsContact O-ND2 3.13Å; S229-N232 PolarHBondContact O-N 2.96Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 3Å; N232-R234 PolarHBondContact O-N 3.31Å; N232-V235 PolarHBondContact O-N 3.34Å
233S97.7Very high96.8Very high49 Ų4960.7 Ų60.734%0.34332%0.321SS..Hα-helixtrans-62.7-23.5179.180.50000113.6S229 L230 W231 V235 G236 F237S229-S233 PolarHBondContact O-N 3.45Å; L230-S233 PolarHBondContact O-N 3.47Å; L230-S233 PolarHBondContact O-OG 3.21Å; W231-S233 VanDerWaalsContact C-N 3.34Å; W231-S233 PolarHBondContact O-N 2.9Å; S233-V235 PolarHBondContact O-N 3.45Å; S233-V235 VanDerWaalsContact O-N 3.08Å; S233-G236 PolarHBondContact O-N 2.85Å; S233-F237 WeakPolarHBondContact O-CB 3.47Å; S233-F237 PolarHBondContact O-N 2.89Å
234R97.9Very high96.9Very high55 Ų5562.6 Ų62.621%0.20833%0.334CS..Hα-helixtrans-51.1-35.1178.383.9-166.1179.3-75.32114Q54 Y129 W231 N232 Y238Q54-R234 HydrophobicContact CG-CB 4.3Å; Y129-R234 WeakPolarHBondContact OH-CA 3.47Å; Y129-R234 WeakPolarHBondContact OH-CB 3.44Å; W231-R234 VanDerWaalsContact C-NH1 3.35Å; W231-R234 WeakPolarHBondContact O-CB 3.26Å; W231-R234 WeakPolarHBondContact O-CD 2.94Å; W231-R234 WeakPolarHBondContact O-CG 3.49Å; W231-R234 PolarHBondContact O-N 3.33Å; W231-R234 PolarHBondContact O-NH1 2.98Å; N232-R234 PolarHBondContact O-N 3.31Å; R234-Y238 HydrophobicContact CB-CE2 4.2Å; R234-Y238 HydrophobicContact CG-CE2 4.31Å; R234-Y238 WeakPolarHBondContact O-CB 3.4Å; R234-Y238 WeakPolarHBondContact O-CD2 3.45Å; R234-Y238 PolarHBondContact O-N 3.08Å
235V98Very high97.1Very high82 Ų8259.4 Ų59.450%0.49732%0.319SS..Hα-helixtrans-70.5-50.9-176.3-179.10000110.2N232 S233 F237 Y238 V239N232-V235 PolarHBondContact O-N 3.34Å; S233-V235 PolarHBondContact O-N 3.45Å; S233-V235 VanDerWaalsContact O-N 3.08Å; V235-F237 VanDerWaalsContact C-N 3.29Å; V235-F237 PolarHBondContact O-N 3.5Å; V235-Y238 PolarHBondContact O-N 3.04Å; V235-V239 WeakPolarHBondContact O-CB 3.3Å; V235-V239 VanDerWaalsContact O-CG2 3.26Å; V235-V239 WeakPolarHBondContact O-CG2 3.24Å; V235-V239 PolarHBondContact O-N 3.13Å
236G96.8Very high97.4Very high36 Ų3655 Ų5537%0.37131%0.308SS..Hα-helixtrans-62.5-39.2175.600000111.8S233 V239 N240S233-G236 PolarHBondContact O-N 2.85Å; G236-V239 PolarHBondContact O-N 3.12Å; G236-N240 VanDerWaalsContact O-CB 3.31Å; G236-N240 WeakPolarHBondContact O-CB 3.41Å; G236-N240 PolarHBondContact O-N 2.94Å; G236-N240 PolarHBondContact O-ND2 2.75Å; G236-N240 PolarHBondContact O-OD1 3.36Å
237F97.8Very high97.4Very high16 Ų1653.8 Ų53.87%0.0731%0.313CS..Hα-helixtrans-58.7-52.8175.4171.8-106000113.1T125 M126 Y129 S233 V235 T241T125-F237 HydrophobicContact CG2-CE2 4.37Å; M126-F237 HydrophobicContact CB-CZ 4.39Å; M126-F237 HydrophobicContact CE-CE1 4.06Å; M126-F237 HydrophobicContact CE-CZ 3.57Å; M126-F237 HydrophobicContact CG-CZ 4.49Å; M126-F237 HydrophobicContact SD-CE1 4.04Å; M126-F237 HydrophobicContact SD-CZ 3.55Å; M126-F237 VanDerWaalsContact SD-CZ 3.55Å; Y129-F237 AromaticContact CD1-CD1 3.63Å; Y129-F237 HydrophobicContact CD1-CD1 3.63Å; Y129-F237 AromaticContact CD1-CD2 3.88Å; Y129-F237 HydrophobicContact CD1-CD2 3.88Å; Y129-F237 AromaticContact CD1-CE1 3.42Å; Y129-F237 HydrophobicContact CD1-CE1 3.42Å; Y129-F237 VanDerWaalsContact CD1-CE1 3.42Å; Y129-F237 AromaticContact CD1-CE2 3.7Å; Y129-F237 HydrophobicContact CD1-CE2 3.7Å; Y129-F237 AromaticContact CD1-CG 3.85Å; Y129-F237 HydrophobicContact CD1-CG 3.85Å; Y129-F237 AromaticContact CD1-CZ 3.45Å; Y129-F237 HydrophobicContact CD1-CZ 3.45Å; Y129-F237 VanDerWaalsContact CD1-CZ 3.45Å; Y129-F237 HydrophobicContact CD2-CB 4.09Å; Y129-F237 HydrophobicContact CD2-CD1 4.28Å; Y129-F237 AromaticContact CD2-CD2 3.72Å; Y129-F237 HydrophobicContact CD2-CD2 3.72Å; Y129-F237 HydrophobicContact CD2-CE2 4.25Å; Y129-F237 AromaticContact CD2-CG 3.73Å; Y129-F237 HydrophobicContact CD2-CG 3.73Å; Y129-F237 AromaticContact CE1-CD1 3.39Å; Y129-F237 HydrophobicContact CE1-CD1 3.39Å; Y129-F237 HydrophobicContact CE1-CD2 4.38Å; Y129-F237 AromaticContact CE1-CE1 3.49Å; Y129-F237 HydrophobicContact CE1-CE1 3.49Å; Y129-F237 VanDerWaalsContact CE1-CE1 3.49Å; Y129-F237 HydrophobicContact CE1-CE2 4.46Å; Y129-F237 AromaticContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CZ 4.03Å; Y129-F237 HydrophobicContact CE2-CB 3.83Å; Y129-F237 HydrophobicContact CE2-CD1 4.09Å; Y129-F237 HydrophobicContact CE2-CD2 4.24Å; Y129-F237 AromaticContact CE2-CG 3.76Å; Y129-F237 HydrophobicContact CE2-CG 3.76Å; Y129-F237 HydrophobicContact CG-CD1 4.04Å; Y129-F237 AromaticContact CG-CD2 3.48Å; Y129-F237 HydrophobicContact CG-CD2 3.48Å; Y129-F237 VanDerWaalsContact CG-CD2 3.48Å; Y129-F237 HydrophobicContact CG-CE1 4.08Å; Y129-F237 AromaticContact CG-CE2 3.54Å; Y129-F237 HydrophobicContact CG-CE2 3.54Å; Y129-F237 AromaticContact CG-CG 3.74Å; Y129-F237 HydrophobicContact CG-CG 3.74Å; Y129-F237 AromaticContact CG-CZ 3.83Å; Y129-F237 HydrophobicContact CG-CZ 3.83Å; Y129-F237 AromaticContact CZ-CD1 3.6Å; Y129-F237 AromaticContact CZ-CG 3.78Å; S233-F237 WeakPolarHBondContact O-CB 3.47Å; S233-F237 PolarHBondContact O-N 2.89Å; V235-F237 VanDerWaalsContact C-N 3.29Å; V235-F237 PolarHBondContact O-N 3.5Å; F237-T241 WeakPolarHBondContact O-CB 3.43Å; F237-T241 PolarHBondContact O-N 3.27Å; F237-T241 PolarHBondContact O-OG1 3.49Å
238Y97.5Very high97.5Very high52 Ų5254.4 Ų54.420%0.20432%0.316CS..Hα-helixtrans-63.9-43.5178.6-64.3-35.7000111.7E57 L61 R234 V235 T241 F242E57-Y238 WeakPolarHBondContact CB-OH 3.37Å; E57-Y238 PolarHBondContact OE2-OH 3.34Å; L61-Y238 HydrophobicContact CD2-CD1 3.76Å; L61-Y238 HydrophobicContact CD2-CE1 3.88Å; R234-Y238 HydrophobicContact CB-CE2 4.2Å; R234-Y238 HydrophobicContact CG-CE2 4.31Å; R234-Y238 WeakPolarHBondContact O-CB 3.4Å; R234-Y238 WeakPolarHBondContact O-CD2 3.45Å; R234-Y238 PolarHBondContact O-N 3.08Å; V235-Y238 PolarHBondContact O-N 3.04Å; Y238-T241 PolarHBondContact O-N 2.82Å; Y238-F242 WeakPolarHBondContact O-CD2 3.44Å; Y238-F242 PolarHBondContact O-N 3.13Å
239V98Very high97.6Very high69 Ų6955.4 Ų55.442%0.41832%0.316SS..Hα-helixtrans-59.1-51.4178.1168.80000111V235 G236 T241 F242 Q243V235-V239 WeakPolarHBondContact O-CB 3.3Å; V235-V239 VanDerWaalsContact O-CG2 3.26Å; V235-V239 WeakPolarHBondContact O-CG2 3.24Å; V235-V239 PolarHBondContact O-N 3.13Å; G236-V239 PolarHBondContact O-N 3.12Å; V239-T241 PolarHBondContact O-N 3.03Å; V239-F242 PolarHBondContact O-N 2.73Å; V239-Q243 HydrophobicContact CG1-CG 4.31Å; V239-Q243 VanDerWaalsContact O-CB 3.31Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 VanDerWaalsContact O-CG 3.24Å; V239-Q243 WeakPolarHBondContact O-CG 3.49Å; V239-Q243 PolarHBondContact O-N 2.9Å
240N96.4Very high97.7Very high92 Ų9258 Ų5849%0.49232%0.32SS..Hα-helixtrans-61.9-43.9179.9-68-9.1000111.4G236 F242 Q243 S244G236-N240 VanDerWaalsContact O-CB 3.31Å; G236-N240 WeakPolarHBondContact O-CB 3.41Å; G236-N240 PolarHBondContact O-N 2.94Å; G236-N240 PolarHBondContact O-ND2 2.75Å; G236-N240 PolarHBondContact O-OD1 3.36Å; N240-F242 PolarHBondContact O-N 2.75Å; N240-Q243 PolarHBondContact O-N 2.91Å; N240-S244 PolarHBondContact O-N 3.28Å; N240-S244 PolarHBondContact O-OG 3.33Å
241T97Very high97.8Very high2 Ų261.1 Ų61.11%0.01234%0.336CS..Hα-helixtrans-58.5-50.6179.5-57.70000111.5M126 F237 Y238 V239 S244 I245M126-T241 HydrophobicContact CE-CG2 3.74Å; F237-T241 WeakPolarHBondContact O-CB 3.43Å; F237-T241 PolarHBondContact O-N 3.27Å; F237-T241 PolarHBondContact O-OG1 3.49Å; Y238-T241 PolarHBondContact O-N 2.82Å; V239-T241 PolarHBondContact O-N 3.03Å; T241-S244 PolarHBondContact O-N 3.46Å; T241-I245 HydrophobicContact CG2-CD1 3.99Å; T241-I245 WeakPolarHBondContact O-CG1 3.36Å; T241-I245 PolarHBondContact O-N 2.88Å
242F97.8Very high97.8Very high109 Ų10959.2 Ų59.248%0.47833%0.329SS..Hα-helixtrans-73.2-30-179.6-79.3-72.7000113.1L61 Y238 V239 N240 A246L61-F242 HydrophobicContact CD1-CE2 4.11Å; L61-F242 HydrophobicContact CD1-CZ 3.7Å; L61-F242 HydrophobicContact CD2-CE2 4.12Å; Y238-F242 WeakPolarHBondContact O-CD2 3.44Å; Y238-F242 PolarHBondContact O-N 3.13Å; V239-F242 PolarHBondContact O-N 2.73Å; N240-F242 PolarHBondContact O-N 2.75Å; F242-A246 WeakPolarHBondContact O-CB 3.44Å; F242-A246 PolarHBondContact O-N 3.48Å
243Q97.6Very high97.9Very high125 Ų12559.2 Ų59.258%0.58433%0.326SS*.Hα-helixtrans-64.3-43.1170.8-77.9177.2-9.600111.9V239 N240 G247V239-Q243 HydrophobicContact CG1-CG 4.31Å; V239-Q243 VanDerWaalsContact O-CB 3.31Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 VanDerWaalsContact O-CG 3.24Å; V239-Q243 WeakPolarHBondContact O-CG 3.49Å; V239-Q243 PolarHBondContact O-N 2.9Å; N240-Q243 PolarHBondContact O-N 2.91Å; Q243-G247 PolarHBondContact O-N 3.44Å
244S97.6Very high97.9Very high39 Ų3962.5 Ų62.527%0.27333%0.334SS..Hα-helixtrans-62-48174-69.60000111.8N240 T241 L248N240-S244 PolarHBondContact O-N 3.28Å; N240-S244 PolarHBondContact O-OG 3.33Å; T241-S244 PolarHBondContact O-N 3.46Å; S244-L248 WeakPolarHBondContact O-CB 3.3Å; S244-L248 WeakPolarHBondContact O-CG 3.31Å; S244-L248 PolarHBondContact O-N 3.45Å
245I98.3Very high98Very high18 Ų1862.7 Ų62.79%0.09234%0.337CS..Hα-helixtrans-60.6-51.3178.6-65.9165000110.6L65 L118 A122 T241 G247 L248 E249L65-I245 HydrophobicContact CD1-CD1 3.87Å; L65-I245 HydrophobicContact CD1-CG1 4.49Å; L118-I245 HydrophobicContact CD2-CB 4.47Å; L118-I245 HydrophobicContact CD2-CG1 4.19Å; L118-I245 HydrophobicContact CD2-CG2 4.29Å; A122-I245 HydrophobicContact CB-CD1 4.18Å; A122-I245 HydrophobicContact CB-CG1 3.69Å; T241-I245 HydrophobicContact CG2-CD1 3.99Å; T241-I245 WeakPolarHBondContact O-CG1 3.36Å; T241-I245 PolarHBondContact O-N 2.88Å; I245-G247 PolarHBondContact O-N 3.04Å; I245-L248 PolarHBondContact O-N 3.41Å; I245-E249 VanDerWaalsContact O-CB 3.3Å; I245-E249 WeakPolarHBondContact O-CB 3.47Å; I245-E249 PolarHBondContact O-N 2.91Å
246A98.4Very high98Very high53 Ų5359.5 Ų59.544%0.43832%0.317SS..Hα-helixtrans-64.3-40.3-177.500000112.7F242 E249 E250F242-A246 WeakPolarHBondContact O-CB 3.44Å; F242-A246 PolarHBondContact O-N 3.48Å; A246-E249 PolarHBondContact O-N 3.34Å; A246-E250 WeakPolarHBondContact O-CB 3.21Å; A246-E250 PolarHBondContact O-N 3.27Å
247G98.3Very high98.1Very high38 Ų3861 Ų6139%0.39232%0.322SS..Hα-helixtrans-67.4-35176.900000113.2Q243 I245 N251Q243-G247 PolarHBondContact O-N 3.44Å; I245-G247 PolarHBondContact O-N 3.04Å; G247-N251 WeakPolarHBondContact O-CB 3.33Å; G247-N251 PolarHBondContact O-N 3.03Å
248L98.3Very high98.1Very high19 Ų1964.9 Ų64.910%0.09934%0.338CS..Hα-helixtrans-69.5-43.1172.7-70173.6000111.7Y114 K117 L118 Q121 S244 I245 N251 F252Y114-L248 HydrophobicContact CD2-CB 4.2Å; Y114-L248 HydrophobicContact CE2-CB 3.9Å; K117-L248 HydrophobicContact CB-CD1 3.87Å; K117-L248 HydrophobicContact CB-CD2 3.62Å; K117-L248 HydrophobicContact CB-CG 4.39Å; K117-L248 HydrophobicContact CD-CD2 3.8Å; K117-L248 HydrophobicContact CG-CD2 4.22Å; L118-L248 HydrophobicContact CD2-CB 4.46Å; L118-L248 HydrophobicContact CD2-CD1 4.03Å; L118-L248 HydrophobicContact CG-CD1 4.34Å; Q121-L248 HydrophobicContact CB-CD1 4.34Å; S244-L248 WeakPolarHBondContact O-CB 3.3Å; S244-L248 WeakPolarHBondContact O-CG 3.31Å; S244-L248 PolarHBondContact O-N 3.45Å; I245-L248 PolarHBondContact O-N 3.41Å; L248-N251 PolarHBondContact O-N 3.39Å; L248-F252 VanDerWaalsContact O-CB 3.26Å; L248-F252 WeakPolarHBondContact O-CB 3.24Å; L248-F252 PolarHBondContact O-N 3.27Å
249E98.3Very high98.1Very high67 Ų6763.3 Ų63.331%0.31333%0.334SS..Hα-helixtrans-66.4-42.7179.2-172.4166.9-138.900111.7Y68 Y114 I245 A246 F252 H253Y68-E249 PolarHBondContact OH-OE1 2.9Å; Y114-E249 HydrophobicContact CE2-CB 4.43Å; I245-E249 VanDerWaalsContact O-CB 3.3Å; I245-E249 WeakPolarHBondContact O-CB 3.47Å; I245-E249 PolarHBondContact O-N 2.91Å; A246-E249 PolarHBondContact O-N 3.34Å; E249-F252 PolarHBondContact O-N 3.41Å; E249-H253 PolarHBondContact O-CD2 3.43Å; E249-H253 VanDerWaalsContact O-CD2 3.22Å; E249-H253 PolarHBondContact O-N 3.4Å
250E98.6Very high98.1Very high137 Ų13764.5 Ų64.564%0.6434%0.338SS*.Hα-helixtrans-57.1-51.5172.4-175.2-168.8160.300111A246 F252 H253 K254A246-E250 WeakPolarHBondContact O-CB 3.21Å; A246-E250 PolarHBondContact O-N 3.27Å; E250-F252 PolarHBondContact O-N 3.32Å; E250-H253 PolarHBondContact O-N 3.06Å; E250-K254 WeakPolarHBondContact O-CB 3.31Å; E250-K254 PolarHBondContact O-N 2.96Å
251N98.3Very high98.2Very high75 Ų7564.8 Ų64.840%0.40134%0.336SS..Hα-helixtrans-64.3-42.1-179.4-175.581.7000111.8G247 L248 K254 E255G247-N251 WeakPolarHBondContact O-CB 3.33Å; G247-N251 PolarHBondContact O-N 3.03Å; L248-N251 PolarHBondContact O-N 3.39Å; N251-K254 PolarHBondContact O-N 3.44Å; N251-E255 PolarHBondContact O-N 3.08Å
252F98.8Very high98.2Very high5 Ų568.3 Ų68.32%0.02236%0.355CS..Hα-helixtrans-59.2-53.6176.2169.4-102.7000111.7L110 W111 Y114 L248 E249 E250 K254 E255 M256L110-F252 HydrophobicContact CD1-CD2 4.17Å; L110-F252 HydrophobicContact CD2-CD2 4.31Å; L110-F252 HydrophobicContact CD2-CE2 4.36Å; L110-F252 HydrophobicContact CG-CD2 3.83Å; L110-F252 HydrophobicContact CG-CE2 3.97Å; W111-F252 AromaticContact CD2-CE2 3.89Å; W111-F252 HydrophobicContact CD2-CE2 3.89Å; W111-F252 AromaticContact CD2-CZ 3.7Å; W111-F252 HydrophobicContact CD2-CZ 3.7Å; W111-F252 AromaticContact CE2-CZ 3.79Å; W111-F252 HydrophobicContact CE3-CE1 4.43Å; W111-F252 AromaticContact CE3-CE2 3.79Å; W111-F252 HydrophobicContact CE3-CE2 3.79Å; W111-F252 AromaticContact CE3-CZ 3.5Å; W111-F252 HydrophobicContact CE3-CZ 3.5Å; W111-F252 HydrophobicContact CG-CE2 4.37Å; W111-F252 AromaticContact CH2-CE1 3.94Å; W111-F252 HydrophobicContact CH2-CE1 3.94Å; W111-F252 AromaticContact CH2-CZ 3.49Å; W111-F252 HydrophobicContact CH2-CZ 3.49Å; W111-F252 VanDerWaalsContact CH2-CZ 3.49Å; W111-F252 HydrophobicContact CZ2-CE1 4.46Å; W111-F252 AromaticContact CZ2-CZ 3.71Å; W111-F252 HydrophobicContact CZ2-CZ 3.71Å; W111-F252 AromaticContact CZ3-CE1 3.93Å; W111-F252 HydrophobicContact CZ3-CE1 3.93Å; W111-F252 HydrophobicContact CZ3-CE2 4.14Å; W111-F252 AromaticContact CZ3-CZ 3.39Å; W111-F252 HydrophobicContact CZ3-CZ 3.39Å; Y114-F252 HydrophobicContact CD1-CB 4.26Å; Y114-F252 AromaticContact CD1-CD1 4Å; Y114-F252 HydrophobicContact CD1-CD1 4Å; Y114-F252 AromaticContact CD1-CD2 3.72Å; Y114-F252 HydrophobicContact CD1-CD2 3.72Å; Y114-F252 HydrophobicContact CD1-CE1 4.3Å; Y114-F252 HydrophobicContact CD1-CE2 4.02Å; Y114-F252 AromaticContact CD1-CG 3.7Å; Y114-F252 HydrophobicContact CD1-CG 3.7Å; Y114-F252 HydrophobicContact CD1-CZ 4.31Å; Y114-F252 HydrophobicContact CD2-CB 3.57Å; Y114-F252 HydrophobicContact CD2-CD2 4.29Å; Y114-F252 AromaticContact CD2-CG 3.95Å; Y114-F252 HydrophobicContact CD2-CG 3.95Å; Y114-F252 AromaticContact CE1-CD1 3.97Å; Y114-F252 HydrophobicContact CE1-CD1 3.97Å; Y114-F252 HydrophobicContact CE1-CD2 4.49Å; Y114-F252 HydrophobicContact CE1-CE1 4.33Å; Y114-F252 HydrophobicContact CE1-CG 4.06Å; Y114-F252 HydrophobicContact CE2-CB 3.88Å; Y114-F252 HydrophobicContact CE2-CG 4.3Å; Y114-F252 HydrophobicContact CG-CB 3.77Å; Y114-F252 HydrophobicContact CG-CD1 4.36Å; Y114-F252 AromaticContact CG-CD2 3.58Å; Y114-F252 HydrophobicContact CG-CD2 3.58Å; Y114-F252 HydrophobicContact CG-CE2 4.28Å; Y114-F252 AromaticContact CG-CG 3.63Å; Y114-F252 HydrophobicContact CG-CG 3.63Å; L248-F252 VanDerWaalsContact O-CB 3.26Å; L248-F252 WeakPolarHBondContact O-CB 3.24Å; L248-F252 PolarHBondContact O-N 3.27Å; E249-F252 PolarHBondContact O-N 3.41Å; E250-F252 PolarHBondContact O-N 3.32Å; F252-K254 VanDerWaalsContact C-N 3.29Å; F252-K254 PolarHBondContact O-N 3.19Å; F252-E255 PolarHBondContact O-N 2.85Å; F252-M256 HydrophobicContact CE2-CE 3.52Å; F252-M256 HydrophobicContact CZ-CE 3.46Å; F252-M256 VanDerWaalsContact CZ-CE 3.46Å; F252-M256 WeakPolarHBondContact O-CB 3.38Å; F252-M256 PolarHBondContact O-N 3.48Å
253H98.6Very high98.2Very high106 Ų10664.6 Ų64.649%0.49134%0.34SS..Hα-helixtrans-65-34-179.6-77.9-64.7000112.7E249 E250 S257E249-H253 PolarHBondContact O-CD2 3.43Å; E249-H253 VanDerWaalsContact O-CD2 3.22Å; E249-H253 PolarHBondContact O-N 3.4Å; E250-H253 PolarHBondContact O-N 3.06Å; H253-S257 WeakPolarHBondContact O-CB 3.46Å; H253-S257 PolarHBondContact O-N 2.98Å
254K98.6Very high98.2Very high117 Ų11762.6 Ų62.651%0.50933%0.333SS..Hα-helixtrans-61.8-50.2174.1-177.7178.6-179.1178.10112.1E250 N251 F252 S257E250-K254 WeakPolarHBondContact O-CB 3.31Å; E250-K254 PolarHBondContact O-N 2.96Å; N251-K254 PolarHBondContact O-N 3.44Å; F252-K254 VanDerWaalsContact C-N 3.29Å; F252-K254 PolarHBondContact O-N 3.19Å; K254-S257 PolarHBondContact O-N 3.34Å; K254-S257 PolarHBondContact O-OG 2.84Å
255E98.6Very high98.2Very high60 Ų6064.5 Ų64.528%0.2834%0.34SS..Hα-helixtrans-70.4-36.7177.4-61-49.2122.400112L110 N251 F252 S257 K258 L259L110-E255 HydrophobicContact CD1-CB 4.05Å; L110-E255 HydrophobicContact CD2-CB 3.83Å; N251-E255 PolarHBondContact O-N 3.08Å; F252-E255 PolarHBondContact O-N 2.85Å; E255-S257 VanDerWaalsContact C-N 3.31Å; E255-S257 PolarHBondContact O-N 2.89Å; E255-K258 WeakPolarHBondContact O-CB 3.49Å; E255-K258 PolarHBondContact O-N 3.25Å; E255-K258 VanDerWaalsContact O-N 3.13Å; E255-K258 WeakPolarHBondContact OE1-CE 3.43Å; E255-K258 IonicContact OE1-NZ 3.46Å; E255-K258 PolarHBondContact OE1-NZ 2.94Å; E255-K258 WeakPolarHBondContact OE2-CD 3.38Å; E255-K258 WeakPolarHBondContact OE2-CE 3.34Å; E255-K258 IonicContact OE2-NZ 2.9Å; E255-K258 PolarHBondContact OE2-NZ 3.47Å; E255-L259 PolarHBondContact O-N 2.92Å
256M98.4Very high98.1Very high15 Ų1564.5 Ų64.57%0.07434%0.341CS..Hα-helixtrans-60.8-39.3175.6-172.159.57400112N107 L110 W111 F252 K258 L259 N260N107-M256 WeakPolarHBondContact ND2-CE 3.5Å; N107-M256 PolarHBondContact ND2-SD 3.39Å; L110-M256 HydrophobicContact CD2-CB 4.05Å; L110-M256 HydrophobicContact CD2-CE 3.9Å; L110-M256 HydrophobicContact CD2-SD 4.45Å; L110-M256 HydrophobicContact CG-CE 4.41Å; W111-M256 HydrophobicContact CD2-CE 4.39Å; W111-M256 HydrophobicContact CG-CE 4.45Å; W111-M256 HydrophobicContact CZ2-CE 4.35Å; F252-M256 HydrophobicContact CE2-CE 3.52Å; F252-M256 HydrophobicContact CZ-CE 3.46Å; F252-M256 VanDerWaalsContact CZ-CE 3.46Å; F252-M256 WeakPolarHBondContact O-CB 3.38Å; F252-M256 PolarHBondContact O-N 3.48Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 3.21Å; M256-L259 PolarHBondContact O-N 2.74Å; M256-L259 HydrophobicContact SD-CD1 4.48Å; M256-N260 PolarHBondContact O-N 2.83Å
257S98.4Very high97.9Very high68 Ų6865.1 Ų65.148%0.47634%0.337SS..Hα-helixtrans-60.7-35.4176.174.90000113H253 K254 E255 N260 Q261H253-S257 WeakPolarHBondContact O-CB 3.46Å; H253-S257 PolarHBondContact O-N 2.98Å; K254-S257 PolarHBondContact O-N 3.34Å; K254-S257 PolarHBondContact O-OG 2.84Å; E255-S257 VanDerWaalsContact C-N 3.31Å; E255-S257 PolarHBondContact O-N 2.89Å; S257-N260 PolarHBondContact O-N 3.42Å; S257-Q261 PolarHBondContact O-N 3.4Å
258K98.6Very high97.7Very high96 Ų9665.4 Ų65.442%0.41733%0.33SS..Hα-helixtrans-68.9-42.6175.5-58.5176.5-164.5166.10111.4E255 M256 N260 Q261 N262E255-K258 WeakPolarHBondContact O-CB 3.49Å; E255-K258 PolarHBondContact O-N 3.25Å; E255-K258 VanDerWaalsContact O-N 3.13Å; E255-K258 WeakPolarHBondContact OE1-CE 3.43Å; E255-K258 IonicContact OE1-NZ 3.46Å; E255-K258 PolarHBondContact OE1-NZ 2.94Å; E255-K258 WeakPolarHBondContact OE2-CD 3.38Å; E255-K258 WeakPolarHBondContact OE2-CE 3.34Å; E255-K258 IonicContact OE2-NZ 2.9Å; E255-K258 PolarHBondContact OE2-NZ 3.47Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 3.21Å; K258-N260 VanDerWaalsContact C-N 3.32Å; K258-N260 PolarHBondContact O-N 2.93Å; K258-Q261 PolarHBondContact O-N 3.44Å; K258-N262 WeakPolarHBondContact O-CB 3.49Å; K258-N262 PolarHBondContact O-N 3.31Å; K258-N262 PolarHBondContact O-ND2 3.03Å; K258-N262 PolarHBondContact O-OD1 2.97Å
259L98.1Very high97.4Very high20 Ų2067.2 Ų67.211%0.10535%0.345CS..Hα-helixtrans-60.8-43.2176.1-65.7179.5000111.1I103 N106 N107 L110 E255 M256 N262 L263I103-L259 HydrophobicContact CG2-CB 4.3Å; I103-L259 HydrophobicContact CG2-CD2 4.49Å; N106-L259 HydrophobicContact CB-CD1 4.24Å; N106-L259 HydrophobicContact CB-CD2 3.74Å; N107-L259 HydrophobicContact CB-CD1 4.25Å; L110-L259 HydrophobicContact CB-CD1 4.47Å; L110-L259 HydrophobicContact CD2-CD1 3.85Å; E255-L259 PolarHBondContact O-N 2.92Å; M256-L259 PolarHBondContact O-N 2.74Å; M256-L259 HydrophobicContact SD-CD1 4.48Å; L259-N262 PolarHBondContact O-N 3.38Å; L259-L263 PolarHBondContact O-N 2.88Å
260N97.6Very high97.1Very high94 Ų9465.1 Ų65.150%0.50334%0.336SS..Hα-helixtrans-64.4-39.9176.4-68.4-16.3000112.5M256 S257 K258 L263 N264M256-N260 PolarHBondContact O-N 2.83Å; S257-N260 PolarHBondContact O-N 3.42Å; K258-N260 VanDerWaalsContact C-N 3.32Å; K258-N260 PolarHBondContact O-N 2.93Å; N260-L263 PolarHBondContact O-N 3.22Å; N260-N264 PolarHBondContact O-N 2.84Å
261Q98.3Very high96.7Very high97 Ų9765 Ų6545%0.45334%0.335SS..Hα-helixtrans-65.7-45.7174.5-174.560.25600111.6S257 K258 L263 N264 D265S257-Q261 PolarHBondContact O-N 3.4Å; K258-Q261 PolarHBondContact O-N 3.44Å; Q261-L263 VanDerWaalsContact C-N 3.25Å; Q261-L263 PolarHBondContact O-N 3.49Å; Q261-N264 WeakPolarHBondContact O-CB 3.42Å; Q261-N264 PolarHBondContact O-N 3.39Å; Q261-N264 VanDerWaalsContact O-N 3.08Å; Q261-D265 PolarHBondContact NE2-OD1 2.88Å; Q261-D265 PolarHBondContact O-N 3.38Å
262N97.7Very high96.2Very high77 Ų7768.2 Ų68.241%0.41235%0.346SS..Hα-helixtrans-58.5-39.4176.9-65.4-17.8000111.4I103 K258 L259 D265 V266I103-N262 HydrophobicContact CD1-CB 3.79Å; I103-N262 HydrophobicContact CG1-CB 4.2Å; K258-N262 WeakPolarHBondContact O-CB 3.49Å; K258-N262 PolarHBondContact O-N 3.31Å; K258-N262 PolarHBondContact O-ND2 3.03Å; K258-N262 PolarHBondContact O-OD1 2.97Å; L259-N262 PolarHBondContact O-N 3.38Å; N262-D265 PolarHBondContact O-N 3.44Å; N262-V266 WeakPolarHBondContact O-CG2 3.38Å; N262-V266 PolarHBondContact O-N 3.44Å; N262-V266 VanDerWaalsContact O-N 3.09Å
263L97.4Very high95.2Very high30 Ų3073.2 Ų73.216%0.15737%0.369CS..Hα-helixtrans-66.1-41.2176-173.859.8000111.6L86 I103 L259 N260 Q261 V266 L267L86-L263 HydrophobicContact CD2-CD1 3.98Å; L86-L263 HydrophobicContact CD2-CD2 4.32Å; I103-L263 HydrophobicContact CD1-CB 4.44Å; I103-L263 HydrophobicContact CG2-CB 4.24Å; L259-L263 PolarHBondContact O-N 2.88Å; N260-L263 PolarHBondContact O-N 3.22Å; Q261-L263 VanDerWaalsContact C-N 3.25Å; Q261-L263 PolarHBondContact O-N 3.49Å; L263-V266 PolarHBondContact O-N 2.92Å; L263-L267 HydrophobicContact CG-CD1 4.2Å; L263-L267 WeakPolarHBondContact O-CG 3.26Å; L263-L267 PolarHBondContact O-N 3.48Å
264N97.3Very high93.9Very high84 Ų8472.5 Ų72.545%0.44937%0.366SS..Hα-helixtrans-60.7-44.6174.7-172.1-106.1000111.6N260 Q261 V266 L267 V268N260-N264 PolarHBondContact O-N 2.84Å; Q261-N264 WeakPolarHBondContact O-CB 3.42Å; Q261-N264 PolarHBondContact O-N 3.39Å; Q261-N264 VanDerWaalsContact O-N 3.08Å; N264-V266 VanDerWaalsContact C-N 3.33Å; N264-V266 PolarHBondContact O-N 3.05Å; N264-L267 PolarHBondContact O-N 2.71Å; N264-V268 WeakPolarHBondContact O-CB 3.28Å; N264-V268 VanDerWaalsContact O-CG2 3.31Å; N264-V268 WeakPolarHBondContact O-CG2 3.4Å; N264-V268 PolarHBondContact O-N 3.37Å
265D97.1Very high92.1Very high79 Ų7970.5 Ų70.542%0.42238%0.378SS..Hα-helixtrans-63.1-37.2179.2-65.8-15.8000112.2Q261 N262 S269Q261-D265 PolarHBondContact NE2-OD1 2.88Å; Q261-D265 PolarHBondContact O-N 3.38Å; N262-D265 PolarHBondContact O-N 3.44Å; D265-S269 WeakPolarHBondContact O-CB 3.34Å; D265-S269 PolarHBondContact O-N 2.87Å; D265-S269 PolarHBondContact O-OG 2.89Å
266V96.1Very high90.1Very high18 Ų1872.1 Ų72.111%0.10940%0.396CS..Hα-helixtrans-63.5-49.7172.3168.60000111E99 A100 I103 N262 L263 N264 V268 S269 L270E99-V266 HydrophobicContact CB-CG2 3.81Å; A100-V266 HydrophobicContact CB-CG1 4.34Å; I103-V266 HydrophobicContact CD1-CG2 4.13Å; N262-V266 WeakPolarHBondContact O-CG2 3.38Å; N262-V266 PolarHBondContact O-N 3.44Å; N262-V266 VanDerWaalsContact O-N 3.09Å; L263-V266 PolarHBondContact O-N 2.92Å; N264-V266 VanDerWaalsContact C-N 3.33Å; N264-V266 PolarHBondContact O-N 3.05Å; V266-V268 PolarHBondContact O-N 3.22Å; V266-S269 WeakPolarHBondContact O-CA 3.44Å; V266-S269 WeakPolarHBondContact O-CB 3.45Å; V266-S269 PolarHBondContact O-N 2.93Å; V266-S269 VanDerWaalsContact O-N 3.07Å; V266-L270 PolarHBondContact O-N 3.34Å
267L94.2Very high88Confident66 Ų6677.5 Ų77.535%0.34643%0.425SS..Hα-helixtrans-66.5-36.7-178.8-66.6172.2000112.7Y90 L263 N264 S269 L270 E271Y90-L267 HydrophobicContact CE2-CD2 4.05Å; L263-L267 HydrophobicContact CG-CD1 4.2Å; L263-L267 WeakPolarHBondContact O-CG 3.26Å; L263-L267 PolarHBondContact O-N 3.48Å; N264-L267 PolarHBondContact O-N 2.71Å; L267-S269 VanDerWaalsContact C-N 3.29Å; L267-S269 PolarHBondContact O-N 2.9Å; L267-L270 WeakPolarHBondContact O-CB 3.25Å; L267-L270 PolarHBondContact O-N 3.36Å; L267-E271 PolarHBondContact O-N 3.26Å
268V94.7Very high85.2Confident43 Ų4380.3 Ų80.326%0.26144%0.44SS..Hα-helixtrans-67.6-30.6172.1168.90000111.4N264 V266 K272N264-V268 WeakPolarHBondContact O-CB 3.28Å; N264-V268 VanDerWaalsContact O-CG2 3.31Å; N264-V268 WeakPolarHBondContact O-CG2 3.4Å; N264-V268 PolarHBondContact O-N 3.37Å; V266-V268 PolarHBondContact O-N 3.22Å; V268-K272 HydrophobicContact CG1-CD 4.32Å; V268-K272 WeakPolarHBondContact O-CD 3.19Å; V268-K272 VanDerWaalsContact O-CG 3.29Å; V268-K272 WeakPolarHBondContact O-CG 3.47Å; V268-K272 PolarHBondContact O-N 3.05Å
269S92.1Very high82.6Confident58 Ų5885 Ų8541%0.40646%0.46SS..Hα-helixtrans-72.6-36174.7-60.90000112.1D265 V266 L267 K272 Q273D265-S269 WeakPolarHBondContact O-CB 3.34Å; D265-S269 PolarHBondContact O-N 2.87Å; D265-S269 PolarHBondContact O-OG 2.89Å; V266-S269 WeakPolarHBondContact O-CA 3.44Å; V266-S269 WeakPolarHBondContact O-CB 3.45Å; V266-S269 PolarHBondContact O-N 2.93Å; V266-S269 VanDerWaalsContact O-N 3.07Å; L267-S269 VanDerWaalsContact C-N 3.29Å; L267-S269 PolarHBondContact O-N 2.9Å; S269-K272 PolarHBondContact O-N 3.45Å; S269-Q273 PolarHBondContact O-N 3.09Å
270L91Very high79.9Confident22 Ų2290.4 Ų90.412%0.11550%0.495CS..Hα-helixtrans-60.8-50.3170.2-17769.9000111.2Y90 W94 P95 V266 L267 K272 Q273 H274Y90-L270 HydrophobicContact CE1-CD1 4.49Å; Y90-L270 HydrophobicContact CE2-CD2 4.07Å; W94-L270 HydrophobicContact CB-CD1 3.81Å; W94-L270 HydrophobicContact CD2-CD1 3.93Å; W94-L270 HydrophobicContact CE3-CD1 3.83Å; W94-L270 HydrophobicContact CE3-CD2 3.67Å; W94-L270 HydrophobicContact CE3-CG 4.36Å; W94-L270 HydrophobicContact CG-CD1 3.95Å; W94-L270 HydrophobicContact CZ3-CD2 3.95Å; P95-L270 HydrophobicContact CG-CD1 3.8Å; V266-L270 PolarHBondContact O-N 3.34Å; L267-L270 WeakPolarHBondContact O-CB 3.25Å; L267-L270 PolarHBondContact O-N 3.36Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.08Å; L270-Q273 PolarHBondContact O-N 3.2Å; L270-Q273 VanDerWaalsContact O-N 3.11Å; L270-H274 PolarHBondContact O-CD2 3.4Å; L270-H274 PolarHBondContact O-N 3.27Å
271E90.8Very high77.2Confident136 Ų13691.4 Ų91.464%0.63650%0.504SS*.Hα-helixtrans-53.9-45.9176.8-176.1-174.3-154.800111.7L267 Q273 H274 G275L267-E271 PolarHBondContact O-N 3.26Å; E271-Q273 VanDerWaalsContact C-N 3.31Å; E271-Q273 PolarHBondContact O-N 3.5Å; E271-H274 PolarHBondContact O-N 3.17Å; E271-G275 PolarHBondContact O-N 3.05Å
272K88.8Confident74.5Confident142 Ų14296.5 Ų96.562%0.61753%0.525SS*.Hα-helixtrans-61.9-33.7179.7-73.4165.2-174.4166.90113.5V268 S269 L270 S276V268-K272 HydrophobicContact CG1-CD 4.32Å; V268-K272 WeakPolarHBondContact O-CD 3.19Å; V268-K272 VanDerWaalsContact O-CG 3.29Å; V268-K272 WeakPolarHBondContact O-CG 3.47Å; V268-K272 PolarHBondContact O-N 3.05Å; S269-K272 PolarHBondContact O-N 3.45Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.08Å; K272-S276 WeakPolarHBondContact O-CB 3.39Å
273Q77.3Confident71.5Confident109 Ų10996.8 Ų96.851%0.50954%0.538SS..Hα-helixtrans-78.4-43.3177.4-66.4-162.519.400112P95 S269 L270 E271 S276 N277P95-Q273 HydrophobicContact CG-CB 4.26Å; P95-Q273 HydrophobicContact CG-CG 4.22Å; S269-Q273 PolarHBondContact O-N 3.09Å; L270-Q273 PolarHBondContact O-N 3.2Å; L270-Q273 VanDerWaalsContact O-N 3.11Å; E271-Q273 VanDerWaalsContact C-N 3.31Å; E271-Q273 PolarHBondContact O-N 3.5Å; Q273-S276 PolarHBondContact O-N 3.45Å; Q273-N277 PolarHBondContact O-N 3.37Å
274H71.7Confident68.5Low92 Ų92103.8 Ų103.843%0.42657%0.569SS.*Hα-helixtrans-74.7-26.6179.3-73.7-98.8000113.4W94 L270 E271 S276W94-H274 AromaticContact CD1-CE1 3.91Å; W94-H274 AromaticContact CD1-NE2 3.85Å; W94-H274 AromaticContact CE2-CE1 3.93Å; W94-H274 AromaticContact CG-NE2 3.98Å; W94-H274 AromaticContact NE1-CE1 3.62Å; W94-H274 AromaticContact NE1-NE2 3.96Å; L270-H274 PolarHBondContact O-CD2 3.4Å; L270-H274 PolarHBondContact O-N 3.27Å; E271-H274 PolarHBondContact O-N 3.17Å; H274-S276 VanDerWaalsContact C-N 3.32Å
275G60.9Low65.6Low75 Ų75105.8 Ų105.877%0.77359%0.587SS**THydrogen-bonded Turntrans-75.4-17.4172.700000114.4E271E271-G275 PolarHBondContact O-N 3.05Å
276S56Low62.5Low94 Ų94107.6 Ų107.666%0.65761%0.606SS**THydrogen-bonded Turntrans-91.5-34177.8-166.80000112.6K272 Q273 H274 T278K272-S276 WeakPolarHBondContact O-CB 3.39Å; Q273-S276 PolarHBondContact O-N 3.45Å; H274-S276 VanDerWaalsContact C-N 3.32Å; S276-T278 PolarHBondContact O-N 2.96Å
277N52.8Low59.8Low127 Ų127114.1 Ų114.168%0.67964%0.64SS**SBendtrans-88.7102.1178.4-81.6-16.8000111.8Q273 F279Q273-N277 PolarHBondContact O-N 3.37Å; N277-F279 PolarHBondContact O-N 3.03Å
278T41Very low56.9Low128 Ų128119 Ų11979%0.78567%0.667SS**  trans-54.8128.6163.328.60000110.4S276 T280S276-T278 PolarHBondContact O-N 2.96Å; T278-T280 PolarHBondContact O-N 3.04Å
279F44Very low54Low193 Ų193121.5 Ų121.585%0.84669%0.692SS**  trans-49.998179.6-118.4-91.2000111.4N277 V281N277-F279 PolarHBondContact O-N 3.03Å; F279-V281 HydrophobicContact CB-CG2 4.4Å; F279-V281 HydrophobicContact CD1-CG2 3.83Å; F279-V281 PolarHBondContact O-N 3.3Å
280T41.5Very low51.4Low135 Ų135125 Ų12583%0.82871%0.713SS**  trans-80.876.8168.738.20000108.1T278 K282T278-T280 PolarHBondContact O-N 3.04Å; T280-K282 VanDerWaalsContact C-N 3.27Å; T280-K282 PolarHBondContact O-N 3Å
281V40.3Very low48.6Very low114 Ų114128.9 Ų128.969%0.69175%0.749SS**  trans-58.693.4170.3-179.30000108F279 A283F279-V281 HydrophobicContact CB-CG2 4.4Å; F279-V281 HydrophobicContact CD1-CG2 3.83Å; F279-V281 PolarHBondContact O-N 3.3Å; V281-A283 PolarHBondContact O-N 3.03Å
282K40.6Very low46.2Very low205 Ų205133 Ų13389%0.89176%0.764SS**  trans-77.979174.1-151.4177.6-168.1177.60107.5T280 Q284T280-K282 VanDerWaalsContact C-N 3.27Å; T280-K282 PolarHBondContact O-N 3Å; K282-Q284 PolarHBondContact O-N 2.94Å; K282-Q284 VanDerWaalsContact O-N 3.12Å
283A36.2Very low43.4Very low83 Ų83130.1 Ų130.169%0.68678%0.775SS**  trans-54.3117.7-176.300000110.8V281V281-A283 PolarHBondContact O-N 3.03Å
284Q33.6Very low41.2Very low176 Ų176131.7 Ų131.782%0.82279%0.787SS**  trans-68.8138.9161.6-79.5-171.3-107.800108.9K282 S286K282-Q284 PolarHBondContact O-N 2.94Å; K282-Q284 VanDerWaalsContact O-N 3.12Å; Q284-S286 PolarHBondContact O-N 3.38Å
285P36.6Very low39.4Very low126 Ų126136.2 Ų136.282%0.81881%0.806SS**  trans-73.5114.2172.829.8-31.8000109.5
286S32.9Very low38.1Very low117 Ų117137.2 Ų137.282%0.81880%0.8SS**  trans-88114.7168-700000110.1Q284 N288Q284-S286 PolarHBondContact O-N 3.38Å; S286-N288 PolarHBondContact O-N 2.84Å
287D38.5Very low37.4Very low156 Ų156138.9 Ų138.983%0.83481%0.809SS**  trans-65.3120.6163.9-85.1-48.7000110.1
288N34.2Very low36.6Very low169 Ų169137.8 Ų137.890%0.90481%0.811SS**  trans-165.4130.4146.5-103.1-43.7000111.9S286S286-N288 PolarHBondContact O-N 2.84Å
289A32.5Very low37.4Very low95 Ų95137.4 Ų137.479%0.78581%0.811SS**  trans-89.8156179.600000112.2
290P38.2Very low37.6Very low130 Ų130133.5 Ų133.584%0.84481%0.805SS**  trans-95.4148.1-165.935.9-35.3000114.8
291A33Very low37Very low105 Ų105134.9 Ų134.987%0.86881%0.807SS**  trans-112.9143.1167.800000111.7
292K38.8Very low36.4Very low221 Ų221132.6 Ų132.696%0.96181%0.807SS**  trans-88.8146.3-168.3-64.6167.3175.81710113.1
293G30.3Very low36.3Very low82 Ų82128.5 Ų128.585%0.84580%0.804SS**  trans-153.9113.3170.200000112.7
294N32.3Very low36.8Very low143 Ų143130.7 Ų130.777%0.76581%0.811SS**  trans-81.8145.1-160.4-129.1-2.9000116.4
295K33.6Very low36.7Very low187 Ų187127.3 Ų127.381%0.81381%0.814SS**  trans64.9123.5141.8-72.5175179.8-171.50123
296S33.2Very low36.4Very low95 Ų95126 Ų12666%0.66481%0.814SS**  trans-98.8165.4151.3-176.50000110.2
297P41.8Very low36.3Very low129 Ų129126.8 Ų126.884%0.83881%0.814SS**  -144.815710037.8-22.2000116.7
298S35.3Very low36.5Very low104 Ų104124.6 Ų124.673%0.72781%0.808SS**  trans-104.2-160.7171.5-33.40000110.3
299P59Low36.2Very low120 Ų120124.7 Ų124.778%0.77980%0.803SS**  cis-119.2-132.7-9.346.7-28.4000108.6
300P46.8Very low36.3Very low112 Ų112127.4 Ų127.473%0.72780%0.803SS**  cis-109.8-166.9-7.147.4-34.3000111.5
301D30.2Very low35.8Very low163 Ų163132.5 Ų132.587%0.87281%0.805SS**  cis-151.4162-4.4-142.7-27.3000110.6
302G27.3Very low35.9Very low67 Ų67133.5 Ų133.569%0.69180%0.8SS**  trans12396.7165.400000117.3
303S37.4Very low35.4Very low119 Ų119130.6 Ų130.683%0.83280%0.795SS**  trans-124.1-179.7171.5-56.10000110.1
304P48.3Very low35.4Very low128 Ų128133.7 Ų133.783%0.83179%0.787SS**  -127.3-179.6-7838.8-23.1000112
305A30.3Very low35.2Very low106 Ų106135 Ų13588%0.87679%0.789SS**  trans-135140.5163.600000110.5
306A30.3Very low35.5Very low99 Ų99130.7 Ų130.782%0.81878%0.78SS**  trans-106.1158.5-169.100000113.3
307T31.3Very low35.3Very low133 Ų133134.8 Ų134.882%0.81679%0.789SS**  trans-63.6176.6151.736.40000110.8
308P41.8Very low35.4Very low110 Ų110133.6 Ų133.671%0.71478%0.781SS**  cis-142.5-164.713.925.33.4000115.9
309E27.8Very low35.1Very low170 Ų170133.4 Ų133.479%0.79479%0.786SS**  trans104.7142.6144.4-58.4-141.7134.300122.1
310I35.4Very low33.6Very low153 Ų153131.8 Ų131.879%0.78579%0.791SS**  trans-100.9145.7-178.4-67.2158.6000108.8
311R27.3Very low32.7Very low236 Ų236130.1 Ų130.189%0.89179%0.794SS**  trans-163.4144148.3-109.7158.3-158.2-164.67.1113.7
312V34.5Very low32.7Very low127 Ų127127.4 Ų127.477%0.7779%0.794SS**  trans-103.3143.3174.5172.30000109
313N28.8Very low32.8Very low160 Ų160130.8 Ų130.886%0.85680%0.802SS**  trans-158.1162.3154.6-150.79.4000113.4
314H30.8Very low33.2Very low146 Ų146131.1 Ų131.168%0.67680%0.801SS**  trans-102.4155.9-170.1-83.6-115.3000115.9
315E27.8Very low32.3Very low170 Ų170128.7 Ų128.779%0.79480%0.799SS**  trans63.8168.9143.3-87.8-170.45300122.8
316P41.1Very low32.2Very low98 Ų98128 Ų12864%0.63679%0.793SS**  cis-141.2178.4-30.835.5-16.9000117.1
317E27.4Very low32.2Very low180 Ų180129.5 Ų129.584%0.84179%0.792SS**  trans68.4169.4150.9-99.9-149.1126.900121.9
318P45.5Very low32Very low105 Ų105130.9 Ų130.968%0.68279%0.794SS**  cis-138.2173.6-17.738.8-22000117.2
319A27.7Very low32.1Very low100 Ų100130.2 Ų130.283%0.82679%0.79SS**  trans154118.9140.300000109.8
320G28.1Very low32.1Very low86 Ų86131.5 Ų131.589%0.88779%0.793SS**  97.4128.860.400000109.7
321G27.9Very low31.8Very low76 Ų76129.6 Ų129.678%0.78479%0.793SS**  cis178.9-169.8-1.700000110.5
322A29.1Very low32.3Very low106 Ų106124.2 Ų124.288%0.87679%0.789SS**  trans84.2116.4170.700000120.9
323T31.1Very low32.3Very low138 Ų138123.7 Ų123.785%0.84779%0.79SS**  trans-115.4170.9148.758.80000106.7
324P44.3Very low32.6Very low127 Ų127125 Ų12583%0.82579%0.791SS**  -158.9172.56141.7-18.6000120.1
325G29.1Very low32.9Very low77 Ų77125.6 Ų125.679%0.79480%0.799SS**  trans94.9151.7153.200000118
326A29.5Very low33.3Very low90 Ų90129.8 Ų129.874%0.74481%0.807SS**  cis-164.5147.3-12.100000112.5
327T29Very low33Very low131 Ų131135.3 Ų135.380%0.80482%0.821SS**  trans48120.3148.557.20000124.2
328L28.8Very low33.1Very low163 Ų163130.1 Ų130.185%0.85382%0.817SS**  31.7159.4125-105.771000122.3
329P42.3Very low32.7Very low96 Ų96131.2 Ų131.262%0.62382%0.823SS**  cis-149.5172.27.540.9-18.9000121
330K27.7Very low33.3Very low196 Ų196132.3 Ų132.385%0.85282%0.822SS**  trans68.4118.9141.6-75.5163.4-176.5177.10124.7
331S29.8Very low34Very low113 Ų113134.9 Ų134.979%0.7982%0.821SS**  9.9156.8128.6-74.60000122.3
332P38.4Very low34.3Very low124 Ų124136.5 Ų136.581%0.80582%0.817SS**  cis-150.2174.741.442.7-22000120.3
333S34.1Very low34.9Very low115 Ų115137.1 Ų137.180%0.80481%0.812SS**  trans-90.3148.5174.8-35.10000114.2
334Q35.2Very low35.3Very low187 Ų187136.2 Ų136.287%0.87481%0.809SS**  trans-151.9121.8151.7-76.5-154.632.600114.9
335L38Very low35Very low160 Ų160136.2 Ų136.284%0.83881%0.809SS**  trans15.4136140.9-67.1158.1000122.4
336R34.8Very low35.1Very low257 Ų257142.3 Ų142.397%0.9781%0.813SS**  trans-163.5161.8130.6-107.8168.2-160.2-151.84.7113.6
337K35.5Very low35.2Very low214 Ų214146.3 Ų146.393%0.9382%0.816SS**  trans-106.7155.4-171.6-63.4173.3172.91790112.7
338G29.5Very low35.4Very low72 Ų72145.9 Ų145.974%0.74281%0.814SS**  trans-170.1155.8166.300000114.1
339P37Very low35.6Very low127 Ų127144.3 Ų144.383%0.82581%0.813SS**  trans-128-151.8-152.739.1-17.1000114.7
340P40.6Very low35.4Very low124 Ų124145.6 Ų145.681%0.80583%0.825SS**  -115.8-176.8-97.839.2-21.9000116
341V41.3Very low35.7Very low140 Ų140146.2 Ų146.285%0.84883%0.827SS**PPolyproline II helixtrans-77144-172.41760000114.9
342P35.7Very low35.8Very low110 Ų110149.3 Ų149.371%0.71483%0.829SS**PPolyproline II helixtrans-95.5161.2170.936.5-33.6000115.4
343P40.8Very low35.5Very low118 Ų118149 Ų14977%0.76683%0.825SS**PPolyproline II helixtrans-94.6172.3-168.738.7-38000115.7
344P39.6Very low35.2Very low119 Ų119152.5 Ų152.577%0.77383%0.826SS**PPolyproline II helixtrans-84.3151.1-173.734.1-36.6000114.7
345P38.5Very low35.3Very low127 Ų127152.6 Ų152.683%0.82583%0.826SS**PPolyproline II helixtrans-87.6156.3-179.634.5-34.5000114.5
346K30.9Very low35.3Very low205 Ų205153.1 Ų153.189%0.89182%0.824SS**  trans-114.3165.8171.4-71.8-175.5175.9-176.20111.3
347H32.2Very low35.1Very low175 Ų175149.8 Ų149.881%0.8182%0.819SS**  trans-34.5137.1-173.4-67.9-96.4000120.3
348T33Very low35.3Very low122 Ų122147.7 Ų147.775%0.74882%0.817SS**  trans31139.4136.366.80000121.1
349P32.7Very low35.4Very low130 Ų130152 Ų15284%0.84482%0.822SS**  -138.3163.983.836.7-22.4000115.9
350S38.8Very low35.2Very low123 Ų123151 Ų15186%0.8682%0.818SS**  trans-58.1145.6-172.5-43.60000115.7
351K32.6Very low35.1Very low209 Ų209152.9 Ų152.991%0.90982%0.82SS**  trans-148.8128151-153.7169.4-173.1175.30112.8
352E32.7Very low34.7Very low178 Ų178155.8 Ų155.883%0.83282%0.822SS**  trans-67.8150177.3-171.5-177.6-174.800112.7
353V31.4Very low34.5Very low117 Ų117160 Ų16071%0.70983%0.832SS**  trans155.5127.2136.6159.60000114.5
354K28.2Very low34Very low189 Ų189160.8 Ų160.882%0.82283%0.83SS**  trans7198.4157.5-78.2167.3-174.1-175.10122
355Q38.3Very low33.5Very low189 Ų189161.5 Ų161.588%0.88383%0.832SS**  trans-38.8123134.3169.9-169.213.800113.8
356E36.2Very low33.2Very low171 Ų171164.1 Ų164.180%0.79983%0.831SS**  trans-154.5148.5134.4-68.9-158.6-164.100109.4
357Q31.9Very low33.4Very low186 Ų186160.7 Ų160.787%0.86983%0.827SS**  trans63.478.5173.5-58.2-176.59.300118.5
358I38.5Very low33.4Very low171 Ų171157.5 Ų157.588%0.87782%0.821SS**  trans-105.9122146.3-67.2177.5000107.6
359L31.8Very low33.3Very low163 Ų163160 Ų16085%0.85383%0.825SS**  trans-64.8135.6170-85.9145.6000109.9L361L359-L361 PolarHBondContact O-N 2.68Å
360S33.4Very low33.1Very low106 Ų106161.1 Ų161.174%0.74182%0.822SS**  trans-61.5124.5179.548.50000111.9
361L37.8Very low32.8Very low163 Ų163160 Ų16085%0.85382%0.815SS**  trans-111.630.9172.4-146.285.1000113L359L359-L361 PolarHBondContact O-N 2.68Å
362F33.1Very low32.4Very low201 Ų201156.3 Ų156.388%0.88281%0.809SS**  trans-135.496.5171-70.5-76.7000108.3
363E31.6Very low32.3Very low198 Ų198153.7 Ų153.793%0.92581%0.805SS**  trans-75.9128.2167.8-83-178.5130.100110.3
364D31.2Very low32.3Very low135 Ų135154.3 Ų154.372%0.72281%0.81SS**  trans0.8126.2157.1-114.7-55.2000119.8F366D364-F366 PolarHBondContact OD1-N 3.38Å
365T29Very low32.6Very low133 Ų133151.5 Ų151.582%0.81681%0.81SS**  trans-141.480.7143-61.90000109
366F32.1Very low32.2Very low183 Ų183147.2 Ų147.280%0.80380%0.802SS**  trans26.3106.5145-119.1-100.6000117.7D364D364-F366 PolarHBondContact OD1-N 3.38Å
367V33.9Very low31.9Very low132 Ų132147.3 Ų147.380%0.880%0.802SS**  trans-125127.1162-177.30000108
368P33.2Very low31.7Very low108 Ų108147.7 Ų147.770%0.70180%0.801SS**  trans-73.4146.3-178.329.7-34.2000112.3
369E30.2Very low31.2Very low175 Ų175147.1 Ų147.182%0.81880%0.795SS**  trans-68.7127.2-176.2-170.1-178.2174.100112.4
370I29.8Very low31.1Very low153 Ų153143.6 Ų143.679%0.78579%0.789SS**  trans-122.9112.1161.652.2162.7000110.7V372I370-V372 PolarHBondContact O-N 3.48Å
371S31.3Very low31.7Very low101 Ų101144.7 Ų144.771%0.70679%0.794SS**  trans-76.1120174.8-30.20000109.6
372V25.3Very low31.1Very low131 Ų131140.5 Ų140.579%0.79479%0.789SS**  trans-127.2111171-176.30000111.1I370I370-V372 PolarHBondContact O-N 3.48Å
373T30.8Very low31.5Very low123 Ų123136.6 Ų136.676%0.75579%0.785SS**  trans-62.7147.1173.7-38.40000111.6
374T30.9Very low31.3Very low130 Ų130137.1 Ų137.180%0.79878%0.784SS**  trans-61.4150.616841.30000112.3
375P33.8Very low31.2Very low129 Ų129135.7 Ų135.784%0.83879%0.785SS**  -130.7165.5124.235.6-27000113.4
376S29.9Very low31.3Very low100 Ų100136.7 Ų136.770%0.69978%0.78SS**  trans-107.9152.9-172.8-1650000111.6
377Q30.3Very low31.2Very low172 Ų172135.6 Ų135.680%0.80478%0.777SS**  trans53.2131.1159.3-73.4175.9-58.700120.2
378F26.9Very low31.1Very low194 Ų194133.6 Ų133.685%0.85178%0.775SS**  -163.8164.4102.8-160.4-111.8000113.3
379E29.2Very low31.1Very low160 Ų160134 Ų13475%0.74878%0.78SS**  trans-84.4172.1-179.3-93.1160.6109.300114.7
380A29Very low31.1Very low89 Ų89133.9 Ų133.974%0.73679%0.785SS**  trans-131.8172.4168.400000108.7
381P45.6Very low31.4Very low129 Ų129133.9 Ų133.984%0.83879%0.785SS**  cis-143.4163.310.140.5-21.1000119.2
382G26.5Very low31.4Very low74 Ų74135.7 Ų135.776%0.76379%0.787SS**  trans86.1171.4147.100000119.4
383P41Very low31.8Very low120 Ų120136.4 Ų136.478%0.77979%0.786SS**  cis-134.3166.1-10.240.4-23.7000116.6
384F27.9Very low31.7Very low208 Ų208138.9 Ų138.991%0.91279%0.794SS**  trans42.8121.7156.2-86.1-87.3000122.6
385S29.5Very low31.9Very low106 Ų106141.6 Ų141.674%0.74180%0.795SS**  174.7114.8119.2-167.20000113.5
386E29.3Very low31.8Very low153 Ų153142.9 Ų142.972%0.71580%0.795SS**  trans38.8132.6134.4-64.7-149.9100.200126.3
387Q31.7Very low32.1Very low160 Ų160143 Ų14375%0.74879%0.793SS**  trans86.3147.7135.8-72.4174.434.500123.2
388A30.6Very low32.4Very low91 Ų91143 Ų14375%0.75280%0.798SS**  trans65.2119.6176.500000117
389S33.1Very low33Very low116 Ų116139.4 Ų139.481%0.81179%0.794SS**  cis68.2110.648.6-55.40000114.9
390L30.6Very low33.5Very low173 Ų173137.2 Ų137.291%0.90679%0.794SS**  -175.8152103.1-126.8148.3000111.8
391L35.4Very low33.5Very low152 Ų152139.4 Ų139.480%0.79680%0.798SS**  trans-90141172.8-66.9158.7000111
392D31.3Very low32.6Very low140 Ų140138.9 Ų138.975%0.74979%0.792SS**  trans179.3120.2134.5-97.8-17.3000106.4
393L33.7Very low32.8Very low145 Ų145141.1 Ų141.176%0.75980%0.796SS**  59.899.874-67.3-178.8000112.8
394D30.5Very low32.5Very low176 Ų176141.3 Ų141.394%0.94180%0.798SS**  trans-145.8143.5133-114.9-28.5000110.3
395F33.3Very low32.6Very low186 Ų186138 Ų13882%0.81679%0.794SS**  trans-139.6123.1-162.6-159.8-76.6000107.3
396D32Very low32.4Very low157 Ų157142.5 Ų142.584%0.8480%0.8SS**  trans-154.4157.5175.9-126.412000111.2
397P37.6Very low32.3Very low101 Ų101139.2 Ų139.266%0.65680%0.8SS**  trans-122.2171.8-131.41511.6000113.9
398L35.9Very low32.2Very low173 Ų173137.2 Ų137.291%0.90680%0.8SS**  trans-72143.1175.5-61172.2000112.7
399P39.5Very low32.4Very low118 Ų118138.9 Ų138.977%0.76680%0.801SS**  trans-104.9158.9152.534.9-28.6000112.8
400P39.1Very low32.2Very low115 Ų115139.3 Ų139.375%0.74780%0.801SS**  trans-114.7154.4-159.340.1-30.9000115.9
401V29.5Very low32.2Very low135 Ų135136.5 Ų136.582%0.81880%0.796SS**  trans-147.893.3165-174.90000108.7
402T27.5Very low32.1Very low117 Ų117133.2 Ų133.272%0.71880%0.799SS**  49.497.587.6640000116.9
403S31.1Very low32Very low121 Ų121135.1 Ų135.185%0.84680%0.803SS**  trans-169.5159.8150.5-90.60000111.6
404P34.6Very low32.2Very low125 Ų125133.8 Ų133.881%0.81281%0.806SS**  trans-109.7163.9-136.832.6-23000117.5
405V28.4Very low32.4Very low138 Ų138132.5 Ų132.584%0.83680%0.798SS**  trans-55136.3172.1174.30000112.6
406K26.1Very low32.2Very low201 Ų201128.5 Ų128.587%0.87479%0.79SS**  trans-147.795.5151.5-157.1176.3-172.3-177.40111.5
407A27.2Very low32.4Very low84 Ų84131.6 Ų131.669%0.69479%0.79SS**  trans-70.9151.7162.300000109.9
408P29.6Very low32.5Very low118 Ų118132.4 Ų132.477%0.76679%0.789SS**  -135.9150.111635.1-24.3000113.9
409T33.9Very low32.4Very low126 Ų126132 Ų13277%0.77379%0.787SS**  trans-62.2149.9165.823.90000112.7
410P29.3Very low32.2Very low125 Ų125137.5 Ų137.581%0.81279%0.793SS**  trans-94.2112.4149.231.8-23.3000109.6
411S30.2Very low31.8Very low113 Ų113140.9 Ų140.979%0.7980%0.798SS**  trans-67.1139.8163.5-65.70000109.5
412G34.7Very low32Very low83 Ų83139.6 Ų139.686%0.85679%0.793SS**  trans-67.7132.517300000111.5
413Q29.3Very low31.8Very low180 Ų180141 Ų14184%0.84180%0.801SS**  trans-144.6119.5161.2-147.5169.27.900109.1
414S36.5Very low31.6Very low117 Ų117143.1 Ų143.182%0.81880%0.798SS**  trans-72.5131.3177.150.30000110.8
415I34.8Very low31.3Very low150 Ų150142 Ų14277%0.76979%0.793SS**  trans-128.1143.9170.9-67-175.8000108.7
416P30.3Very low31.7Very low101 Ų101140.9 Ų140.966%0.65679%0.789SS**  trans-81.4173.7-157.8-14.632.7000115.4D418P416-D418 VanDerWaalsContact C-N 3.28Å; P416-D418 PolarHBondContact O-N 2.9Å
417W36.3Very low31.6Very low223 Ų223136.3 Ų136.385%0.84579%0.789SS**SBendtrans-782-176.141.3-100.2000115.5L419W417-L419 PolarHBondContact O-N 2.97Å; W417-L419 VanDerWaalsContact O-N 3.08Å
418D39.2Very low31.5Very low118 Ų118135.6 Ų135.663%0.63179%0.789SS**  trans-83.868.7179.3-72.4-54.1000112.9P416P416-D418 VanDerWaalsContact C-N 3.28Å; P416-D418 PolarHBondContact O-N 2.9Å
419L33.9Very low31.4Very low164 Ų164135.9 Ų135.986%0.85979%0.794SS**  trans-155.661.3158.8-148.778.7000113.7W417W417-L419 PolarHBondContact O-N 2.97Å; W417-L419 VanDerWaalsContact O-N 3.08Å
420W34.2Very low31.1Very low233 Ų233137.5 Ų137.588%0.88380%0.797SS**  trans-141.569.9160.5-157.1-78.8000111.9
421E32Very low31.2Very low186 Ų186137.5 Ų137.587%0.86980%0.797SS**PPolyproline II helixtrans-80.7127.4160.8-70.3-170.4149.900109.9
422P32.3Very low31Very low109 Ų109137.8 Ų137.871%0.70880%0.799SS**PPolyproline II helixtrans-78.7130163.7-9.427.2000110.3E424P422-E424 PolarHBondContact O-N 3.21Å
423T24.9Very low30.5Very low145 Ų145137.7 Ų137.789%0.8980%0.798SS**PPolyproline II helixtrans-64.1121.7176.1-53.40000112.4
424E26.5Very low30.2Very low167 Ų167138.1 Ų138.178%0.7880%0.8SS**PPolyproline II helixtrans-68.6150164.2-75.9-150.312200111.4P422P422-E424 PolarHBondContact O-N 3.21Å
425S27.5Very low30.4Very low102 Ų102138.1 Ų138.171%0.71380%0.797SS**  167.5169.189.2-81.50000110
426P36.8Very low29.9Very low114 Ų114137 Ų13774%0.7480%0.803SS**  cis-141.8175.5-35.839.3-22.3000115.1
427A24.4Very low29.7Very low105 Ų105136.8 Ų136.887%0.86881%0.81SS**  trans73.3132.9149.900000121
428G25.2Very low29.2Very low68 Ų68131 Ų13170%0.70181%0.809SS**  cis175.5178.3-6.300000117.9
429S26.4Very low28.6Very low125 Ų125134.6 Ų134.687%0.87482%0.822SS**  trans7191154.5-52.10000119.9
430L28.1Very low28.3Very low159 Ų159130.4 Ų130.483%0.83282%0.819SS**  trans-66.1167.6142.4-81161.4000110.8
431P30.6Very low27.9Very low125 Ų125125.6 Ų125.681%0.81282%0.815SS**  -130.4152.8110.236.9-31.1000114.1
432S26.6Very low27.6Very low120 Ų120126.4 Ų126.484%0.83982%0.816SS**  trans-71157.8-178.2-46.80000114.1
433G23.6Very low27.4Very low81 Ų81125.7 Ų125.784%0.83582%0.82SS**  trans-169.399.7169.300000113.1
434E23.2Very low27.6Very low188 Ų188124.6 Ų124.688%0.87981%0.812SS**  trans-119.5167.3161.3-98.7-163.3103.700108.2
435P40.8Very low27.6Very low117 Ų117121.7 Ų121.776%0.7681%0.81SS**  cis-127.2173-6.736.5-20.6000113.3
436S24Very low27.9Very low126 Ų126127.6 Ų127.688%0.88182%0.817SS**  trans-162.1140.6146.8-166.60000111.9
437A27Very low27.9Very low98 Ų98126.9 Ų126.981%0.8181%0.813SS**  trans-85.8146-179.700000112.9
438A25.6Very low28.1Very low100 Ų100127.8 Ų127.883%0.82681%0.812SS**  trans-164.5149143.400000111.4
439E27.3Very low28.3Very low195 Ų195133.2 Ų133.291%0.91182%0.82SS**  trans-56.1155.3-171.6-61.9156.8113.200116.9
440G26.8Very low28.3Very low76 Ų76134.1 Ų134.178%0.78482%0.82SS**  trans-16854.1177.700000113.9F442G440-F442 PolarHBondContact O-N 3.34Å
441T27.1Very low28.2Very low131 Ų131131.2 Ų131.280%0.80482%0.819SS**  trans-65.4124.1-179.914.70000113.2
442F24.8Very low27.8Very low204 Ų204133.6 Ų133.690%0.89582%0.819SS**  trans-140.997.2154.1-91.9-78.1000110.5G440G440-F442 PolarHBondContact O-N 3.34Å
443A27Very low28.3Very low94 Ų94132.8 Ų132.878%0.77781%0.811SS**  trans-88.6135.7167.700000109.6
444V30Very low28.2Very low122 Ų122132.6 Ų132.674%0.73981%0.809SS**  trans-123.4100.6166.2179.50000107.6
445S25.8Very low28.7Very low105 Ų105129.8 Ų129.873%0.73481%0.807SS**  trans-102.2136.6173.350.80000110.1
446W34.8Very low28Very low226 Ų226128.6 Ų128.686%0.85681%0.807SS**  trans-132.7141.6165.4-76.7101.8000110
447P36.7Very low28Very low100 Ų100131.3 Ų131.365%0.64981%0.805SS**  trans-91.5140-162.234.6-33.3000113.3
448S27.7Very low28.5Very low123 Ų123131.7 Ų131.786%0.8680%0.8SS**  trans-75.1132.6161.8-53.90000110.1
449Q29.7Very low28.4Very low183 Ų183131.1 Ų131.186%0.85580%0.795SS**  trans-113.1107.9170.8-85.3-178.982.800110.7
450T26.9Very low28.3Very low144 Ų144131.2 Ų131.288%0.88380%0.796SS**  trans-85.5135.6156.143.90000109.2
451A26.8Very low28.2Very low97 Ų97132.8 Ų132.880%0.80280%0.801SS**  trans-144.1136.8176.200000112.4
452E22.3Very low28.1Very low175 Ų175131.7 Ų131.782%0.81880%0.799SS**  trans-161159.3174-109.3-72.891.800105.7
453P35.9Very low28.3Very low104 Ų104131.5 Ų131.568%0.67580%0.801SS**  -128.6167.6-92.742.6-32.4000117.1
454G22.2Very low28.3Very low76 Ų76133.4 Ų133.478%0.78480%0.803SS**  trans89.7164.6155.800000118.1
455P33.2Very low28.1Very low130 Ų130132.2 Ų132.284%0.84481%0.805SS**  cis-130.7161.11.740.4-24000117.8
456A25.3Very low28Very low91 Ų91130.7 Ų130.775%0.75281%0.806SS**  trans21.2119.2153.400000124.9
457Q25.9Very low27.4Very low183 Ų183123.8 Ų123.886%0.85581%0.805SS**  48.6164.5122.7-88.4-168.5-90.500122.9
458P35.8Very low26.9Very low107 Ų107126 Ų12670%0.69582%0.817SS**  cis-137.717113.242-23.8000119.3
459A25Very low27Very low88 Ų88128.7 Ų128.773%0.72782%0.816SS**  trans63.6123.8142.200000122.9
460E24.3Very low27.6Very low197 Ų197125.3 Ų125.392%0.92181%0.81SS**  -168137.6101.4-96.9-153.5117.700111.8
461A25.6Very low27.7Very low108 Ų108122.7 Ų122.789%0.89380%0.803SS**  trans172.4135.113900000109.8
462S25.4Very low27.7Very low109 Ų109123 Ų12376%0.76281%0.806SS**  trans-114.1150.2-176.7-1770000109.9
463E27.2Very low27.9Very low199 Ų199118 Ų11893%0.9380%0.8SS**  trans-158.9135.9134-114.2177.7161.200115.2
464V27.3Very low27.5Very low135 Ų135117.8 Ų117.882%0.81881%0.808SS**  trans-65.5159.4172.9160.10000110.7
465A25.7Very low27.8Very low96 Ų96122.7 Ų122.779%0.79381%0.81SS**  cis-146.8-17919.500000110
466G23.9Very low27.5Very low74 Ų74124.4 Ų124.476%0.76381%0.807SS**  cis179.2146.22.600000108.4
467G23.3Very low28.3Very low80 Ų80125.5 Ų125.583%0.82581%0.806SS**  trans-101172.3-166.600000115.9
468T25.3Very low28.3Very low148 Ų148119.9 Ų119.991%0.90880%0.798SS**  trans-140.5115.9162.3-47.90000110
469Q29.3Very low27.9Very low178 Ų178123.6 Ų123.683%0.83281%0.806SS**  trans-101.5178.1164-118-167.9-29.200107.9
470P43.6Very low27.9Very low112 Ų112125.2 Ų125.273%0.72781%0.807SS**  cis-151.4-177.633.643.1-21.5000118.7
471A27.7Very low28.1Very low89 Ų89120.6 Ų120.674%0.73680%0.802SS**  trans69.2149.5140.800000121.3
472A28.3Very low28.1Very low104 Ų104120.2 Ų120.286%0.8680%0.8SS**  cis-170.3167.1-15.900000111.5
473G25.4Very low28.2Very low69 Ų69120.4 Ų120.471%0.71180%0.801SS**  trans118.4103.4169.800000112.8
474A28.6Very low28.3Very low100 Ų100120.2 Ų120.283%0.82680%0.8SS**  64.612866.900000111.9
475Q27.9Very low28.4Very low179 Ų179119 Ų11984%0.83680%0.804SS**  cis-168.913130.9179.7167.2-31.300112
476E26.5Very low28.5Very low167 Ų167118.5 Ų118.578%0.7880%0.8SS**  trans38.1167.5132-67.7-72.598.600123.6
477P41.5Very low28.6Very low113 Ų113120.4 Ų120.473%0.73480%0.802SS**  cis-140-179.6-17.433.5-12.4000116.7
478G25.8Very low28.8Very low66 Ų66121 Ų12168%0.6879%0.793SS**  trans106101150.700000117.4
479E28.1Very low28.9Very low185 Ų185120 Ų12086%0.86479%0.792SS**  6413287.3-68.5-163.2102.100115.7
480T26Very low28.8Very low121 Ų121119 Ų11974%0.74279%0.792SS**  cis-156.3153.2-1.715.10000112
481A27Very low28.2Very low100 Ų100118.9 Ų118.983%0.82679%0.791SS**  trans37.8117.8151.200000122.4
482A26.6Very low28.1Very low101 Ų101119.2 Ų119.284%0.83579%0.793SS**  -172.7155.3101.400000113
483S27.7Very low28.1Very low113 Ų113120.5 Ų120.579%0.7979%0.791SS**  trans-35138.6177.4-46.60000118.2
484E28.3Very low28.1Very low194 Ų194123 Ų12391%0.90779%0.791SS**  -173.2160.997.5-96.3-170.8121.300111.3
485A30.2Very low28.1Very low109 Ų109124.5 Ų124.590%0.90179%0.79SS**  trans-77.6134.3-172.900000112.3
486A26.8Very low28Very low87 Ų87123 Ų12372%0.71978%0.783SS**  trans-117.4129.6175.200000111.4
487S26.4Very low28Very low114 Ų114121.4 Ų121.480%0.79779%0.785SS**  trans61.8148.8137-68.90000120.5
488S27.8Very low27.3Very low92 Ų92124.9 Ų124.964%0.64379%0.789SS**  cis-170.2130.1-10.7440000108.9
489S27.8Very low27.6Very low127 Ų127127.5 Ų127.589%0.88879%0.794SS**  trans-78.6139.7159.5-56.50000109.6
490L27.2Very low27.5Very low158 Ų158123 Ų12383%0.82779%0.789SS**  trans-110.4157.7171.4-78.5175.5000110.4
491P31.1Very low27.6Very low108 Ų108123.8 Ų123.870%0.70179%0.794SS**  -110.5164.6-129.939.5-37.1000115.6
492A26.1Very low27.6Very low96 Ų96125.2 Ų125.279%0.79379%0.791SS**PPolyproline II helixtrans-73.6136.3160.200000110.5
493V26.8Very low27.7Very low132 Ų132128.7 Ų128.780%0.880%0.796SS**PPolyproline II helixtrans-89.5119.91711690000109.2
494V26.8Very low27.7Very low120 Ų120126.3 Ų126.373%0.72779%0.79SS**PPolyproline II helixtrans-79.6134.5169.6173.30000108.5E496V494-E496 HydrophobicContact CG1-CG 4.32Å
495V28Very low27.5Very low132 Ų132123.5 Ų123.580%0.879%0.786SS**  trans-95.7109.1164.4173.40000107.8
496E26.3Very low27.7Very low148 Ų148125.2 Ų125.269%0.69279%0.785SS**  trans-74.8122175.3-68.7-177.7116.400111.1V494 F498V494-E496 HydrophobicContact CG1-CG 4.32Å; E496-F498 HydrophobicContact CB-CE2 4.43Å
497T26Very low27.9Very low134 Ų134130 Ų13082%0.82279%0.792SS**  trans-83.7115.7161.427.50000110P499T497-P499 WeakPolarHBondContact O-CD 3.46Å
498F26Very low28Very low185 Ų185128.4 Ų128.481%0.81179%0.794SS**  trans-82.8127.2169.7-76-83.9000111.4E496E496-F498 HydrophobicContact CB-CE2 4.43Å
499P32.6Very low27.9Very low122 Ų122127.5 Ų127.579%0.79280%0.799SS**  trans-103.7130.3170.235.5-27.7000112.4T497T497-P499 WeakPolarHBondContact O-CD 3.46Å
500A25.9Very low27.9Very low91 Ų91127.4 Ų127.475%0.75280%0.798SS**  trans-164.2143.6163.600000109.3
501T28.7Very low28.4Very low137 Ų137124.2 Ų124.284%0.8480%0.803SS**  cis-158.8154.8-13.514.90000108.2
502V26.8Very low28.5Very low129 Ų129123.6 Ų123.678%0.78281%0.807SS**  trans-22.4134.2163.4158.80000116.5
503N29.1Very low28.9Very low175 Ų175122.3 Ų122.394%0.93680%0.804SS**  -141.2118.3127.2-120.3-7.8000108.5
504G26.4Very low29.4Very low63 Ų63127.4 Ų127.465%0.64981%0.808SS**  trans-112.7137.8-177.900000111.3
505T25.6Very low30.8Very low134 Ų134126.7 Ų126.782%0.82280%0.8SS**  trans-133.9114.9157.9-57.10000107.4
506V34.1Very low33Very low146 Ų146124.3 Ų124.389%0.88578%0.783SS**  trans-89.6112.3167.2168.40000107.3
507E31.7Very low35.7Very low188 Ų188120.5 Ų120.588%0.87977%0.767SS**  trans-122.5128.7150-75.3-158.2126.200108.1
508G28.1Very low38.6Very low80 Ų80114.3 Ų114.383%0.82573%0.729SS**  trans-105.4142174.100000110.4
509G25.4Very low41.2Very low73 Ų73109.9 Ų109.975%0.75372%0.719SS**  trans126.582161.500000115.9
510S28Very low43.7Very low125 Ų125106.3 Ų106.387%0.87470%0.704SS**  -179.9140126.6-81.10000110.3A512S510-A512 PolarHBondContact O-N 2.86Å
511G37Very low46.8Very low90 Ų90105.1 Ų105.193%0.92868%0.682SS**  trans-73.6118.3-178.500000112.3
512A33.6Very low49.7Very low95 Ų95103.9 Ų103.979%0.78567%0.668SS**  trans-126.6141.1157.300000107.7S510 R514S510-A512 PolarHBondContact O-N 2.86Å; A512-R514 PolarHBondContact O-N 3.32Å
513G33.5Very low52.8Low70 Ų7099.6 Ų99.672%0.72264%0.639SS**  trans-57.9130-167.600000113.1L515G513-L515 VanDerWaalsContact C-N 3.34Å; G513-L515 PolarHBondContact O-N 3.04Å
514R38.7Very low55.9Low239 Ų23993.5 Ų93.590%0.90260%0.604SS**  trans-63.395.9168.4-178.5-178177.8-160.9-1.9108A512 D516A512-R514 PolarHBondContact O-N 3.32Å; R514-D516 PolarHBondContact O-N 2.7Å; R514-D516 VanDerWaalsContact O-N 3.08Å
515L55.7Low59.1Low105 Ų10590.7 Ų90.755%0.5557%0.574SS.*  trans-58.8113.7172.9-73.4169.2000107.9G513 L517G513-L515 VanDerWaalsContact C-N 3.34Å; G513-L515 PolarHBondContact O-N 3.04Å; L515-L517 HydrophobicContact CB-CD2 4.39Å; L515-L517 HydrophobicContact CB-CG 4.18Å; L515-L517 PolarHBondContact O-N 3.36Å; L515-L517 VanDerWaalsContact O-N 3.13Å
516D73.8Confident62.5Low82 Ų8287.7 Ų87.744%0.43955%0.551SS.*  trans-74.198.8174.2-152.914000105.5R514 W571 K575R514-D516 PolarHBondContact O-N 2.7Å; R514-D516 VanDerWaalsContact O-N 3.08Å; D516-W571 PolarHBondContact O-NE1 3.3Å; D516-K575 WeakPolarHBondContact OD2-CE 3.39Å; D516-K575 IonicContact OD2-NZ 2.73Å; D516-K575 PolarHBondContact OD2-NZ 2.79Å
517L83.5Confident65.3Low68 Ų6880.8 Ų80.836%0.35651%0.509SS..PPolyproline II helixtrans-98.1151.4-172.2-72.8171.3000111.2L515 F521 L548L515-L517 HydrophobicContact CB-CD2 4.39Å; L515-L517 HydrophobicContact CB-CG 4.18Å; L515-L517 PolarHBondContact O-N 3.36Å; L515-L517 VanDerWaalsContact O-N 3.13Å; L517-F521 HydrophobicContact CB-CB 4.46Å; L517-F521 HydrophobicContact CD1-CD1 4.02Å; L517-F521 HydrophobicContact CD1-CE1 4.28Å; L517-L548 HydrophobicContact CD2-CD1 4.34Å
518P85.8Confident68.3Low4 Ų475.9 Ų75.93%0.02649%0.486CS..PPolyproline II helixtrans-65.9144-178.725.8-32.4000111.9G520 F521 L548 I550 V566 W571 L577P518-G520 PolarHBondContact O-N 2.96Å; P518-F521 HydrophobicContact CG-CB 4.24Å; P518-F521 WeakPolarHBondContact O-CB 3.5Å; P518-F521 PolarHBondContact O-N 3.44Å; P518-L548 HydrophobicContact CG-CB 3.97Å; P518-L548 HydrophobicContact CG-CD1 3.88Å; P518-I550 HydrophobicContact CB-CG2 4.36Å; P518-I550 HydrophobicContact CG-CG2 4.19Å; P518-V566 HydrophobicContact CB-CG1 4.37Å; P518-V566 HydrophobicContact CG-CG1 4.18Å; P518-W571 VanDerWaalsContact CA-CZ2 3.46Å; P518-W571 HydrophobicContact CB-CD2 3.97Å; P518-W571 HydrophobicContact CB-CE3 4.06Å; P518-W571 HydrophobicContact CB-CH2 4.09Å; P518-W571 HydrophobicContact CB-CZ2 3.98Å; P518-W571 HydrophobicContact CB-CZ3 4.12Å; P518-W571 HydrophobicContact CG-CD2 4.41Å; P518-L577 HydrophobicContact CB-CD1 3.74Å
519P82.2Confident71.1Confident92 Ų9277.4 Ų77.460%0.59747%0.472SS*.THydrogen-bonded Turntrans-50.8129.8172.5-28.234.7000112.1
520G84.5Confident74.3Confident47 Ų4779 Ų7949%0.48546%0.463SS..THydrogen-bonded Turntrans78.98.8-178.500000115.6P518 M522 P551P518-G520 PolarHBondContact O-N 2.96Å; G520-M522 PolarHBondContact O-N 3.49Å; G520-P551 WeakPolarHBondContact O-CD 3.19Å
521F91.1Very high77.3Confident66 Ų6674.3 Ų74.329%0.28943%0.426SS..  trans-45.9127175172.8-102.1000113.1L517 P518 F523 K524 L548L517-F521 HydrophobicContact CB-CB 4.46Å; L517-F521 HydrophobicContact CD1-CD1 4.02Å; L517-F521 HydrophobicContact CD1-CE1 4.28Å; P518-F521 HydrophobicContact CG-CB 4.24Å; P518-F521 WeakPolarHBondContact O-CB 3.5Å; P518-F521 PolarHBondContact O-N 3.44Å; F521-F523 WeakPolarHBondContact CE2-O 3.41Å; F521-F523 VanDerWaalsContact CZ-C 3.43Å; F521-K524 HydrophobicContact CE2-CG 3.92Å; F521-K524 HydrophobicContact CZ-CG 3.77Å; F521-L548 HydrophobicContact CD2-CB 3.99Å; F521-L548 HydrophobicContact CD2-CD2 4.4Å; F521-L548 HydrophobicContact CE2-CB 4.15Å; F521-L548 HydrophobicContact CE2-CD2 3.89Å
522M89.3Confident79.9Confident111 Ų11174.5 Ų74.555%0.54741%0.41SS..  trans-105-52.8-179.9-62.9-174.315900112.8G520 V549 P551G520-M522 PolarHBondContact O-N 3.49Å; M522-V549 PolarHBondContact N-O 3.38Å; M522-P551 HydrophobicContact CE-CB 3.72Å; M522-P551 HydrophobicContact CE-CG 4.26Å
523F92.3Very high82.5Confident39 Ų3971.5 Ų71.517%0.17139%0.385CS..EExtended strand (participates in β ladder)trans-164.9166.5-178.654.3-85.9000111.1F521 V525 V549 L563 R591F521-F523 WeakPolarHBondContact CE2-O 3.41Å; F521-F523 VanDerWaalsContact CZ-C 3.43Å; F523-V525 HydrophobicContact CD2-CG1 3.67Å; F523-V525 HydrophobicContact CE2-CG1 3.49Å; F523-V525 VanDerWaalsContact CE2-CG1 3.49Å; F523-V549 HydrophobicContact CD1-CB 4.39Å; F523-V549 HydrophobicContact CD2-CB 4.24Å; F523-V549 HydrophobicContact CD2-CG2 3.87Å; F523-V549 HydrophobicContact CE1-CB 4.29Å; F523-V549 HydrophobicContact CE1-CG1 4Å; F523-V549 HydrophobicContact CE2-CB 4.16Å; F523-V549 HydrophobicContact CE2-CG1 4.3Å; F523-V549 HydrophobicContact CE2-CG2 3.7Å; F523-V549 HydrophobicContact CG-CB 4.37Å; F523-V549 HydrophobicContact CG-CG2 4.47Å; F523-V549 HydrophobicContact CZ-CB 4.18Å; F523-V549 HydrophobicContact CZ-CG1 3.87Å; F523-V549 HydrophobicContact CZ-CG2 4.14Å; F523-V549 WeakPolarHBondContact O-CB 3.4Å; F523-V549 WeakPolarHBondContact O-CG2 3.22Å; F523-V549 PolarHBondContact O-N 2.91Å; F523-L563 HydrophobicContact CE2-CD1 4.36Å; F523-L563 HydrophobicContact CZ-CD1 4.28Å; F523-R591 HydrophobicContact CD2-CG 3.57Å; F523-R591 VanDerWaalsContact CE1-NH2 3.3Å; F523-R591 HydrophobicContact CE2-CG 3.99Å; F523-R591 HydrophobicContact CG-CG 4.39Å
524K93.6Very high84.8Confident47 Ų4773.2 Ų73.220%0.20438%0.381CS..EExtended strand (participates in β ladder)trans-94.5145.4172.3-59.6-160.5-176.7-1730111.1F521 V546 V547 L548 E568 V592F521-K524 HydrophobicContact CE2-CG 3.92Å; F521-K524 HydrophobicContact CZ-CG 3.77Å; K524-V546 HydrophobicContact CB-CG1 4.42Å; K524-V546 HydrophobicContact CD-CG1 4.06Å; K524-V547 WeakPolarHBondContact CA-O 3.4Å; K524-L548 HydrophobicContact CD-CD2 3.96Å; K524-L548 HydrophobicContact CG-CD2 3.84Å; K524-E568 WeakPolarHBondContact CE-OE1 3.31Å; K524-E568 IonicContact NZ-OE1 3.12Å; K524-E568 PolarHBondContact NZ-OE1 3.37Å; K524-E568 IonicContact NZ-OE2 3.75Å; K524-E568 PolarHBondContact NZ-OE2 2.7Å; K524-V592 HydrophobicContact CB-CB 4.06Å; K524-V592 PolarHBondContact O-N 3.29Å
525V94.7Very high87Confident3 Ų365 Ų652%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-130152165.2-58.70000110.2F523 V546 V547 V549 F584 T589 E590 R591F523-V525 HydrophobicContact CD2-CG1 3.67Å; F523-V525 HydrophobicContact CE2-CG1 3.49Å; F523-V525 VanDerWaalsContact CE2-CG1 3.49Å; V525-V546 WeakPolarHBondContact O-CA 3.41Å; V525-V547 HydrophobicContact CG2-CB 3.86Å; V525-V547 PolarHBondContact N-O 3.38Å; V525-V547 PolarHBondContact O-N 2.97Å; V525-V549 HydrophobicContact CG1-CG2 3.89Å; V525-V549 HydrophobicContact CG2-CG2 3.95Å; V525-F584 HydrophobicContact CG2-CE2 3.82Å; V525-F584 HydrophobicContact CG2-CZ 3.78Å; V525-T589 HydrophobicContact CG2-CG2 4.06Å; V525-E590 CarbonylContact C-O 3.58Å; V525-E590 WeakPolarHBondContact CA-O 3.44Å; V525-E590 WeakPolarHBondContact CB-O 3.49Å; V525-R591 HydrophobicContact CG1-CG 4.3Å
526Q95.5Very high88.4Confident72 Ų7267 Ų6734%0.33637%0.372SS..EExtended strand (participates in β ladder)trans-112.6132.8171.8-178.8165.549.300109Q528 G544 D545 T589 E590 V592Q526-Q528 PolarHBondContact O-N 2.97Å; Q526-G544 PolarHBondContact NE2-O 3.06Å; Q526-D545 CarbonylContact C-O 3.6Å; Q526-D545 WeakPolarHBondContact CA-O 3.33Å; Q526-T589 CarbonylContact O-C 3.6Å; Q526-T589 VanDerWaalsContact O-CA 3.23Å; Q526-T589 WeakPolarHBondContact O-CA 3.49Å; Q526-E590 PolarHBondContact N-O 2.84Å; Q526-E590 PolarHBondContact O-N 2.97Å; Q526-V592 HydrophobicContact CB-CG2 3.55Å
527A94.5Very high89Confident1 Ų166.8 Ų66.81%0.00837%0.371CS..EExtended strand (participates in β ladder)trans-67.4123.7174.900000110.5L541 K542 A543 G544 D545A527-L541 HydrophobicContact CB-CB 3.97Å; A527-L541 HydrophobicContact CB-CD1 4.08Å; A527-K542 VanDerWaalsContact CB-O 3.3Å; A527-K542 WeakPolarHBondContact CB-O 3.36Å; A527-A543 CarbonylContact O-C 3.54Å; A527-A543 WeakPolarHBondContact O-CA 3.01Å; A527-G544 PolarHBondContact O-N 3.03Å; A527-D545 HydrophobicContact CB-CB 4.33Å; A527-D545 PolarHBondContact N-O 3.37Å
528Q93.3Very high89.4Confident84 Ų8464.3 Ų64.339%0.39336%0.357SS..SBendtrans-87.2-21.6176-68.7-62.5-10.800112.3Q526 F588 E590Q526-Q528 PolarHBondContact O-N 2.97Å; Q528-F588 PolarHBondContact N-O 2.9Å; Q528-E590 HydrophobicContact CG-CB 3.91Å; Q528-E590 PolarHBondContact NE2-OE2 3.42Å
529H88.3Confident89.6Confident113 Ų11364.9 Ų64.952%0.52336%0.36SS..SBendtrans-137.4153.1-177.5-59.6-33.8000110.6F588H529-F588 HydrophobicContact CB-CD1 3.66Å; H529-F588 HydrophobicContact CB-CE1 4.04Å
530D91Very high90.1Very high106 Ų10664.2 Ų64.257%0.56735%0.349SS*.  trans-63.9133.7169.3-71.5-5.4000110K542 A543D530-K542 VanDerWaalsContact OD1-CA 3.28Å; D530-K542 WeakPolarHBondContact OD1-CA 3.49Å; D530-A543 PolarHBondContact OD1-N 3.48Å
531Y91.1Very high90.6Very high27 Ų2762 Ų6211%0.10633%0.326CS..BIsolated β-bridgetrans-126.7118.4176-179.6-97.3000110.1E538 L539 Q540 L541 W562 P585 F588Y531-E538 HydrophobicContact CE1-CB 4.35Å; Y531-E538 VanDerWaalsContact OH-CD 3.22Å; Y531-E538 PolarHBondContact OH-OE2 2.73Å; Y531-L539 WeakPolarHBondContact CD1-O 3.4Å; Y531-Q540 CarbonylContact O-C 3.58Å; Y531-Q540 VanDerWaalsContact O-CD 3.32Å; Y531-Q540 PolarHBondContact O-NE2 3.38Å; Y531-L541 PolarHBondContact N-O 3.05Å; Y531-L541 PolarHBondContact O-N 2.88Å; Y531-L541 VanDerWaalsContact O-O 3.12Å; Y531-W562 WeakPolarHBondContact OH-CH2 3.34Å; Y531-P585 HydrophobicContact CD2-CG 3.57Å; Y531-P585 HydrophobicContact CE2-CG 3.64Å; Y531-P585 HydrophobicContact CG-CG 4.17Å; Y531-F588 HydrophobicContact CD2-CD1 4.23Å; Y531-F588 HydrophobicContact CD2-CE1 4.24Å
532T91.3Very high90.7Very high94 Ų9465.1 Ų65.158%0.57734%0.339SS*.  trans-92.2121.3176.6-600000111.1T534T532-T534 PolarHBondContact O-N 3Å
533A89.1Confident90.8Very high32 Ų3262.5 Ų62.526%0.26434%0.336SS..  trans-63.3129.3176.500000110.5E538 Q540A533-E538 HydrophobicContact CB-CB 3.93Å; A533-E538 VanDerWaalsContact CB-O 3.32Å; A533-E538 WeakPolarHBondContact CB-O 3.38Å; A533-Q540 HydrophobicContact CB-CB 4.09Å
534T82.1Confident90.7Very high105 Ų10562.5 Ų62.564%0.64435%0.346SS*.  trans-105.8-12.2-177.965.40000113.5T532 E538T532-T534 PolarHBondContact O-N 3Å; T534-E538 PolarHBondContact N-OE2 3.01Å; T534-E538 VanDerWaalsContact OG1-CD 3.26Å; T534-E538 PolarHBondContact OG1-OE1 3.12Å; T534-E538 PolarHBondContact OG1-OE2 3.31Å
535D85.4Confident90.7Very high68 Ų6862.1 Ų62.136%0.36435%0.347SS..SBendtrans-142.6168.3175.9-154.6-22.8000109.2R145 D537 E538R145-D535 IonicContact NH1-OD2 3.89Å; D535-D537 VanDerWaalsContact C-N 3.29Å; D535-D537 WeakPolarHBondContact CB-OD1 3.41Å; D535-D537 PolarHBondContact O-N 3.18Å; D535-E538 HydrophobicContact CB-CG 4.38Å; D535-E538 PolarHBondContact O-N 3.4Å
536T84.1Confident90.7Very high146 Ų14663.8 Ų63.890%0.89636%0.357SS*.THydrogen-bonded Turntrans-74.6-12.2-171.950.30000115.3
537D86Confident90.6Very high77 Ų7760.4 Ų60.441%0.41234%0.341SS..THydrogen-bonded Turntrans-97.4-6.1173.755.8-17.8000113.1D535 G582 V583D535-D537 VanDerWaalsContact C-N 3.29Å; D535-D537 WeakPolarHBondContact CB-OD1 3.41Å; D535-D537 PolarHBondContact O-N 3.18Å; D537-G582 CarbonylContact O-C 3.55Å; D537-G582 WeakPolarHBondContact O-CA 3.38Å; D537-V583 PolarHBondContact O-N 3.09Å
538E91.7Very high90.6Very high17 Ų1760.4 Ų60.48%0.07934%0.341CS..BIsolated β-bridgetrans-88.9134.4-179.5-64-173.6170.600112.5K21 Y531 A533 T534 D535 Q540 W562 V583K21-E538 IonicContact NZ-OE1 3.8Å; K21-E538 PolarHBondContact NZ-OE1 3.48Å; Y531-E538 HydrophobicContact CE1-CB 4.35Å; Y531-E538 VanDerWaalsContact OH-CD 3.22Å; Y531-E538 PolarHBondContact OH-OE2 2.73Å; A533-E538 HydrophobicContact CB-CB 3.93Å; A533-E538 VanDerWaalsContact CB-O 3.32Å; A533-E538 WeakPolarHBondContact CB-O 3.38Å; T534-E538 PolarHBondContact N-OE2 3.01Å; T534-E538 VanDerWaalsContact OG1-CD 3.26Å; T534-E538 PolarHBondContact OG1-OE1 3.12Å; T534-E538 PolarHBondContact OG1-OE2 3.31Å; D535-E538 HydrophobicContact CB-CG 4.38Å; D535-E538 PolarHBondContact O-N 3.4Å; E538-Q540 PolarHBondContact O-N 2.9Å; E538-W562 HydrophobicContact CG-CZ3 4.39Å; E538-V583 CarbonylContact C-O 3.46Å; E538-V583 WeakPolarHBondContact CA-O 3.33Å; E538-V583 HydrophobicContact CG-CG2 4.01Å
539L91.4Very high90.6Very high16 Ų1656.5 Ų56.58%0.08432%0.323CS..  trans-86109.7179.3-172.268.3000110.6Y531 L541 V547 K567 V583 F584Y531-L539 WeakPolarHBondContact CD1-O 3.4Å; L539-L541 HydrophobicContact CD2-CD2 3.88Å; L539-L541 HydrophobicContact CG-CD2 3.93Å; L539-L541 PolarHBondContact O-N 3.42Å; L539-V547 HydrophobicContact CD2-CG1 3.81Å; L539-V547 HydrophobicContact CD2-CG2 4.4Å; L539-K567 HydrophobicContact CD1-CG 4.37Å; L539-K567 HydrophobicContact CD2-CG 4.3Å; L539-V583 PolarHBondContact N-O 3.23Å; L539-F584 HydrophobicContact CB-CB 4.39Å; L539-F584 HydrophobicContact CD2-CD1 4.17Å
540Q92.6Very high90.8Very high78 Ų7851.4 Ų51.436%0.36430%0.299SS..  trans-60.7122.4173.4176.179.740.200110.9Y531 A533 E538 K567Y531-Q540 CarbonylContact O-C 3.58Å; Y531-Q540 VanDerWaalsContact O-CD 3.32Å; Y531-Q540 PolarHBondContact O-NE2 3.38Å; A533-Q540 HydrophobicContact CB-CB 4.09Å; E538-Q540 PolarHBondContact O-N 2.9Å; Q540-K567 WeakPolarHBondContact O-CE 3.23Å; Q540-K567 PolarHBondContact O-NZ 3.14Å
541L94.1Very high90.8Very high0 Ų049 Ų490%029%0.289CS..BIsolated β-bridgetrans-116.2152.4177.6-52.3178.8000112.1A527 Y531 L539 V547 F584 T589A527-L541 HydrophobicContact CB-CB 3.97Å; A527-L541 HydrophobicContact CB-CD1 4.08Å; Y531-L541 PolarHBondContact N-O 3.05Å; Y531-L541 PolarHBondContact O-N 2.88Å; Y531-L541 VanDerWaalsContact O-O 3.12Å; L539-L541 HydrophobicContact CD2-CD2 3.88Å; L539-L541 HydrophobicContact CG-CD2 3.93Å; L539-L541 PolarHBondContact O-N 3.42Å; L541-V547 HydrophobicContact CD1-CG2 4.39Å; L541-V547 HydrophobicContact CD2-CG2 3.53Å; L541-F584 HydrophobicContact CD1-CB 3.92Å; L541-F584 HydrophobicContact CD1-CD2 3.95Å; L541-F584 HydrophobicContact CD1-CG 4.05Å; L541-F584 HydrophobicContact CG-CB 4.48Å; L541-T589 HydrophobicContact CD1-CG2 3.97Å
542K92.9Very high90.6Very high131 Ų13148.8 Ų48.857%0.5729%0.289SS*.  trans-117149.7163-67.2-167.9173.9-1670110.2A527 D530 G544 D545A527-K542 VanDerWaalsContact CB-O 3.3Å; A527-K542 WeakPolarHBondContact CB-O 3.36Å; D530-K542 VanDerWaalsContact OD1-CA 3.28Å; D530-K542 WeakPolarHBondContact OD1-CA 3.49Å; K542-G544 PolarHBondContact O-N 3.22Å; K542-D545 PolarHBondContact N-OD2 3.02Å; K542-D545 VanDerWaalsContact O-CB 3.23Å; K542-D545 WeakPolarHBondContact O-CB 3.27Å; K542-D545 PolarHBondContact O-N 3.34Å
543A91.9Very high90.2Very high57 Ų5751.1 Ų51.147%0.47129%0.293SS..THydrogen-bonded Turntrans-54.7125.8174.200000110.7A527 D530A527-A543 CarbonylContact O-C 3.54Å; A527-A543 WeakPolarHBondContact O-CA 3.01Å; D530-A543 PolarHBondContact OD1-N 3.48Å
544G90.1Very high89.7Confident38 Ų3852.6 Ų52.639%0.39230%0.297SS..THydrogen-bonded Turntrans97.5-16.6-172.900000115.4Q526 A527 K542 V546Q526-G544 PolarHBondContact NE2-O 3.06Å; A527-G544 PolarHBondContact O-N 3.03Å; K542-G544 PolarHBondContact O-N 3.22Å; G544-V546 PolarHBondContact O-N 3.31Å
545D94.2Very high89.5Confident40 Ų4052.6 Ų52.621%0.21430%0.299CS..  trans-61.5132.6177.6-77.6-12.7000111.2Q526 A527 K542 K567Q526-D545 CarbonylContact C-O 3.6Å; Q526-D545 WeakPolarHBondContact CA-O 3.33Å; A527-D545 HydrophobicContact CB-CB 4.33Å; A527-D545 PolarHBondContact N-O 3.37Å; K542-D545 PolarHBondContact N-OD2 3.02Å; K542-D545 VanDerWaalsContact O-CB 3.23Å; K542-D545 WeakPolarHBondContact O-CB 3.27Å; K542-D545 PolarHBondContact O-N 3.34Å; D545-K567 WeakPolarHBondContact OD2-CE 3.48Å; D545-K567 IonicContact OD2-NZ 3.97Å; D545-K567 PolarHBondContact OD2-NZ 3.18Å
546V93.6Very high89.1Confident38 Ų3857.9 Ų57.923%0.2332%0.321CS..EExtended strand (participates in β ladder)trans-95128.5174.1-177.90000110K524 V525 G544 E568K524-V546 HydrophobicContact CB-CG1 4.42Å; K524-V546 HydrophobicContact CD-CG1 4.06Å; V525-V546 WeakPolarHBondContact O-CA 3.41Å; G544-V546 PolarHBondContact O-N 3.31Å; V546-E568 HydrophobicContact CB-CB 4.23Å; V546-E568 HydrophobicContact CG1-CB 4.2Å; V546-E568 WeakPolarHBondContact CG1-OE2 3.41Å; V546-E568 PolarHBondContact O-N 3.44Å
547V94.5Very high88.8Confident0 Ų055.5 Ų55.50%030%0.3CS..EExtended strand (participates in β ladder)trans-118.1133.7-178.9-170.60000109.8K524 V525 L539 L541 V566 F584K524-V547 WeakPolarHBondContact CA-O 3.4Å; V525-V547 HydrophobicContact CG2-CB 3.86Å; V525-V547 PolarHBondContact N-O 3.38Å; V525-V547 PolarHBondContact O-N 2.97Å; L539-V547 HydrophobicContact CD2-CG1 3.81Å; L539-V547 HydrophobicContact CD2-CG2 4.4Å; L541-V547 HydrophobicContact CD1-CG2 4.39Å; L541-V547 HydrophobicContact CD2-CG2 3.53Å; V547-V566 WeakPolarHBondContact CG1-O 3.4Å; V547-F584 HydrophobicContact CB-CE1 4.49Å; V547-F584 HydrophobicContact CB-CZ 4.4Å; V547-F584 HydrophobicContact CG1-CD1 4.21Å; V547-F584 HydrophobicContact CG1-CE1 3.59Å; V547-F584 HydrophobicContact CG1-CZ 3.93Å
548L93.8Very high88.6Confident1 Ų156.8 Ų56.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-91.9110.8175.3-53.6-178.1000108L517 P518 F521 K524 G565 V566 E568 W571L517-L548 HydrophobicContact CD2-CD1 4.34Å; P518-L548 HydrophobicContact CG-CB 3.97Å; P518-L548 HydrophobicContact CG-CD1 3.88Å; F521-L548 HydrophobicContact CD2-CB 3.99Å; F521-L548 HydrophobicContact CD2-CD2 4.4Å; F521-L548 HydrophobicContact CE2-CB 4.15Å; F521-L548 HydrophobicContact CE2-CD2 3.89Å; K524-L548 HydrophobicContact CD-CD2 3.96Å; K524-L548 HydrophobicContact CG-CD2 3.84Å; L548-G565 WeakPolarHBondContact O-CA 3.46Å; L548-V566 HydrophobicContact CB-CG1 4.2Å; L548-V566 PolarHBondContact N-O 2.86Å; L548-V566 PolarHBondContact O-N 3.12Å; L548-V566 VanDerWaalsContact O-N 3.08Å; L548-E568 HydrophobicContact CD1-CB 4.35Å; L548-E568 HydrophobicContact CD1-CG 4.49Å; L548-E568 HydrophobicContact CD2-CB 4.16Å; L548-E568 HydrophobicContact CD2-CG 4.41Å; L548-E568 HydrophobicContact CG-CB 4.09Å; L548-W571 HydrophobicContact CD1-CB 4.25Å; L548-W571 HydrophobicContact CD1-CG 4.1Å
549V93.8Very high88.2Confident2 Ų260.2 Ų60.21%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-80.1135.7-176.9-172.90000110.2M522 F523 V525 L563 F584M522-V549 PolarHBondContact N-O 3.38Å; F523-V549 HydrophobicContact CD1-CB 4.39Å; F523-V549 HydrophobicContact CD2-CB 4.24Å; F523-V549 HydrophobicContact CD2-CG2 3.87Å; F523-V549 HydrophobicContact CE1-CB 4.29Å; F523-V549 HydrophobicContact CE1-CG1 4Å; F523-V549 HydrophobicContact CE2-CB 4.16Å; F523-V549 HydrophobicContact CE2-CG1 4.3Å; F523-V549 HydrophobicContact CE2-CG2 3.7Å; F523-V549 HydrophobicContact CG-CB 4.37Å; F523-V549 HydrophobicContact CG-CG2 4.47Å; F523-V549 HydrophobicContact CZ-CB 4.18Å; F523-V549 HydrophobicContact CZ-CG1 3.87Å; F523-V549 HydrophobicContact CZ-CG2 4.14Å; F523-V549 WeakPolarHBondContact O-CB 3.4Å; F523-V549 WeakPolarHBondContact O-CG2 3.22Å; F523-V549 PolarHBondContact O-N 2.91Å; V525-V549 HydrophobicContact CG1-CG2 3.89Å; V525-V549 HydrophobicContact CG2-CG2 3.95Å; V549-L563 HydrophobicContact CG1-CB 4.4Å; V549-L563 HydrophobicContact CG1-CD1 4.45Å; V549-L563 HydrophobicContact CG1-CD2 4.44Å; V549-L563 HydrophobicContact CG2-CD1 4.39Å; V549-F584 HydrophobicContact CG2-CZ 4.12Å
550I92.9Very high87.8Confident6 Ų664 Ų643%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-130.9158.4-179.264.3-179.2000109.8P518 M564 L577 R581P518-I550 HydrophobicContact CB-CG2 4.36Å; P518-I550 HydrophobicContact CG-CG2 4.19Å; I550-M564 HydrophobicContact CD1-CG 4Å; I550-M564 HydrophobicContact CG1-CB 4.26Å; I550-M564 HydrophobicContact CG1-CG 3.7Å; I550-M564 PolarHBondContact N-O 2.63Å; I550-L577 HydrophobicContact CD1-CD1 3.94Å; I550-L577 HydrophobicContact CD1-CD2 4.28Å; I550-L577 HydrophobicContact CD1-CG 4.28Å; I550-R581 HydrophobicContact CD1-CB 4.1Å
551P90.5Very high87.5Confident56 Ų5661.3 Ų61.336%0.36433%0.333SS..  trans-61.5153.4171.324.8-34.1000111.8G520 M522G520-P551 WeakPolarHBondContact O-CD 3.19Å; M522-P551 HydrophobicContact CE-CB 3.72Å; M522-P551 HydrophobicContact CE-CG 4.26Å
552F87.3Confident87.5Confident22 Ų2263.4 Ų63.410%0.09634%0.341CS..  trans-66.8142.7163-75.4-105.3000110N554 E557 Q558 M564 V583F552-N554 VanDerWaalsContact C-N 3.27Å; F552-N554 PolarHBondContact O-N 3.08Å; F552-E557 HydrophobicContact CD1-CB 4.35Å; F552-Q558 HydrophobicContact CD1-CB 4.18Å; F552-Q558 HydrophobicContact CD2-CB 3.7Å; F552-Q558 HydrophobicContact CD2-CG 3.72Å; F552-Q558 HydrophobicContact CE1-CB 4.32Å; F552-Q558 HydrophobicContact CE2-CB 3.86Å; F552-Q558 HydrophobicContact CE2-CG 3.49Å; F552-Q558 VanDerWaalsContact CE2-CG 3.49Å; F552-Q558 HydrophobicContact CG-CB 3.88Å; F552-Q558 HydrophobicContact CG-CG 4.41Å; F552-Q558 HydrophobicContact CZ-CB 4.17Å; F552-Q558 HydrophobicContact CZ-CG 3.99Å; F552-M564 HydrophobicContact CD1-CB 4.37Å; F552-M564 HydrophobicContact CD1-CE 3.87Å; F552-M564 HydrophobicContact CD2-CB 3.89Å; F552-M564 HydrophobicContact CE1-CB 4.26Å; F552-M564 HydrophobicContact CE1-CE 3.88Å; F552-M564 HydrophobicContact CE2-CB 3.75Å; F552-M564 HydrophobicContact CG-CB 4.19Å; F552-M564 HydrophobicContact CZ-CB 3.94Å; F552-V583 HydrophobicContact CE1-CG1 3.75Å; F552-V583 HydrophobicContact CZ-CG1 4.04Å
553Q82.9Confident87.4Confident143 Ų14357.8 Ų57.867%0.66832%0.317SS*.SBendtrans-65.7-33.7177.5-138.874.731.400111.7
554N78.4Confident87.5Confident64 Ų6456.3 Ų56.334%0.34230%0.301SS..SBendtrans-123.7117.6169.8-17812.7000109.2F552 E556 E557F552-N554 VanDerWaalsContact C-N 3.27Å; F552-N554 PolarHBondContact O-N 3.08Å; N554-E556 PolarHBondContact O-N 2.88Å; N554-E556 VanDerWaalsContact O-N 3.13Å; N554-E556 PolarHBondContact OD1-N 3.3Å; N554-E557 HydrophobicContact CB-CG 4.05Å; N554-E557 PolarHBondContact O-N 2.98Å
555P77.4Confident87.7Confident104 Ų10454.5 Ų54.568%0.67528%0.282SS*.G310 helixtrans-58.8-23.9-179.7-26.235.5000114.6E557 Q558P555-E557 PolarHBondContact O-N 3.03Å; P555-Q558 PolarHBondContact O-N 3.48Å
556E76.4Confident87.6Confident179 Ų17952.6 Ų52.684%0.83627%0.272SS*.G310 helixtrans-72.9-14.2177.3-57.9-169.9165.600113.7N554N554-E556 PolarHBondContact O-N 2.88Å; N554-E556 VanDerWaalsContact O-N 3.13Å; N554-E556 PolarHBondContact OD1-N 3.3Å
557E78.1Confident87.6Confident96 Ų9652 Ų5245%0.44927%0.266SS..G310 helixtrans-88.2-5.5174.8-62.8-175.9148.600112.9S138 F552 N554 P555 D559S138-E557 PolarHBondContact OG-OE1 3.46Å; F552-E557 HydrophobicContact CD1-CB 4.35Å; N554-E557 HydrophobicContact CB-CG 4.05Å; N554-E557 PolarHBondContact O-N 2.98Å; P555-E557 PolarHBondContact O-N 3.03Å; E557-D559 PolarHBondContact O-N 3.49Å
558Q81.6Confident87.5Confident104 Ų10453.7 Ų53.749%0.48627%0.274SS..  trans-76.494.8177.8-175.9164.814.500111.3F552 P555F552-Q558 HydrophobicContact CD1-CB 4.18Å; F552-Q558 HydrophobicContact CD2-CB 3.7Å; F552-Q558 HydrophobicContact CD2-CG 3.72Å; F552-Q558 HydrophobicContact CE1-CB 4.32Å; F552-Q558 HydrophobicContact CE2-CB 3.86Å; F552-Q558 HydrophobicContact CE2-CG 3.49Å; F552-Q558 VanDerWaalsContact CE2-CG 3.49Å; F552-Q558 HydrophobicContact CG-CB 3.88Å; F552-Q558 HydrophobicContact CG-CG 4.41Å; F552-Q558 HydrophobicContact CZ-CB 4.17Å; F552-Q558 HydrophobicContact CZ-CG 3.99Å; P555-Q558 PolarHBondContact O-N 3.48Å
559D83.3Confident87.2Confident90 Ų9056.1 Ų56.148%0.48129%0.292SS..  trans-64.7136.1169.1-96.1-25.8000111.2E557 G561 W562E557-D559 PolarHBondContact O-N 3.49Å; D559-G561 PolarHBondContact O-N 3.36Å; D559-W562 HydrophobicContact CB-CB 4.38Å; D559-W562 HydrophobicContact CB-CG 4.25Å; D559-W562 PolarHBondContact O-N 3.13Å
560E82.7Confident86.9Confident94 Ų9458.2 Ų58.244%0.43930%0.303SS..THydrogen-bonded Turntrans-61.9118.3-177.4-162.6178.4179.600111T10T10-E560 VanDerWaalsContact CB-OE1 3.28Å; T10-E560 WeakPolarHBondContact CB-OE1 3.33Å; T10-E560 HydrophobicContact CG2-CG 3.76Å; T10-E560 WeakPolarHBondContact CG2-OE1 3.22Å; T10-E560 PolarHBondContact OG1-OE1 3.2Å
561G87.3Confident86.8Confident23 Ų2358.7 Ų58.724%0.23730%0.304CS..THydrogen-bonded Turntrans91.37.7-174.300000115.5D559 E586D559-G561 PolarHBondContact O-N 3.36Å; G561-E586 WeakPolarHBondContact O-CB 3.29Å; G561-E586 PolarHBondContact O-N 3.18Å
562W92.9Very high86.5Confident43 Ų4360.2 Ų60.216%0.16331%0.309CS..EExtended strand (participates in β ladder)trans-114143.4172.7-66.774.3000111.5Y531 E538 D559 V583 F584Y531-W562 WeakPolarHBondContact OH-CH2 3.34Å; E538-W562 HydrophobicContact CG-CZ3 4.39Å; D559-W562 HydrophobicContact CB-CB 4.38Å; D559-W562 HydrophobicContact CB-CG 4.25Å; D559-W562 PolarHBondContact O-N 3.13Å; W562-V583 HydrophobicContact CE3-CB 4.09Å; W562-V583 HydrophobicContact CE3-CG2 3.93Å; W562-V583 HydrophobicContact CZ3-CG2 4.19Å; W562-F584 WeakPolarHBondContact CA-O 3.4Å; W562-F584 VanDerWaalsContact CE3-C 3.48Å
563L92.3Very high86.2Confident14 Ų1465.9 Ų65.97%0.07334%0.336CS..EExtended strand (participates in β ladder)trans-117.7149.6175.8-65179.5000110F523 V549 V583 F584 E586F523-L563 HydrophobicContact CE2-CD1 4.36Å; F523-L563 HydrophobicContact CZ-CD1 4.28Å; V549-L563 HydrophobicContact CG1-CB 4.4Å; V549-L563 HydrophobicContact CG1-CD1 4.45Å; V549-L563 HydrophobicContact CG1-CD2 4.44Å; V549-L563 HydrophobicContact CG2-CD1 4.39Å; L563-V583 CarbonylContact O-C 3.52Å; L563-V583 VanDerWaalsContact O-CA 3.27Å; L563-V583 WeakPolarHBondContact O-CA 3.35Å; L563-F584 HydrophobicContact CB-CD1 4.46Å; L563-F584 HydrophobicContact CB-CD2 4.46Å; L563-F584 HydrophobicContact CB-CE1 3.83Å; L563-F584 HydrophobicContact CB-CE2 3.83Å; L563-F584 HydrophobicContact CB-CZ 3.48Å; L563-F584 VanDerWaalsContact CB-CZ 3.48Å; L563-F584 HydrophobicContact CD1-CE2 3.98Å; L563-F584 HydrophobicContact CD1-CZ 3.98Å; L563-F584 HydrophobicContact CG-CE2 4.44Å; L563-F584 HydrophobicContact CG-CZ 4.37Å; L563-F584 PolarHBondContact N-O 3.4Å; L563-F584 WeakPolarHBondContact O-CD1 3.45Å; L563-F584 PolarHBondContact O-N 2.67Å; L563-E586 HydrophobicContact CD1-CB 4.13Å; L563-E586 HydrophobicContact CD1-CG 3.92Å; L563-E586 HydrophobicContact CG-CB 4.03Å; L563-E586 HydrophobicContact CG-CG 4.22Å
564M93.1Very high85.9Confident25 Ų2564.1 Ų64.112%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-98.4136.5170.8-177.367.272.100108.9I550 F552 R581 G582 V583I550-M564 HydrophobicContact CD1-CG 4Å; I550-M564 HydrophobicContact CG1-CB 4.26Å; I550-M564 HydrophobicContact CG1-CG 3.7Å; I550-M564 PolarHBondContact N-O 2.63Å; F552-M564 HydrophobicContact CD1-CB 4.37Å; F552-M564 HydrophobicContact CD1-CE 3.87Å; F552-M564 HydrophobicContact CD2-CB 3.89Å; F552-M564 HydrophobicContact CE1-CB 4.26Å; F552-M564 HydrophobicContact CE1-CE 3.88Å; F552-M564 HydrophobicContact CE2-CB 3.75Å; F552-M564 HydrophobicContact CG-CB 4.19Å; F552-M564 HydrophobicContact CZ-CB 3.94Å; M564-R581 HydrophobicContact SD-CB 4.3Å; M564-R581 HydrophobicContact SD-CG 4.24Å; M564-G582 VanDerWaalsContact SD-C 3.59Å; M564-V583 HydrophobicContact CE-CG1 3.46Å; M564-V583 VanDerWaalsContact CE-CG1 3.46Å; M564-V583 HydrophobicContact SD-CG1 4.07Å
565G93.8Very high85.9Confident0 Ų066.5 Ų66.50%034%0.335CS..EExtended strand (participates in β ladder)trans-168.3177.4178.900000114.2L548 R581 G582L548-G565 WeakPolarHBondContact O-CA 3.46Å; G565-R581 CarbonylContact O-C 3.59Å; G565-R581 VanDerWaalsContact O-CA 3.25Å; G565-R581 WeakPolarHBondContact O-CA 3.35Å; G565-G582 PolarHBondContact N-O 3.27Å; G565-G582 PolarHBondContact O-N 3.41Å
566V93.8Very high85.9Confident0 Ų066 Ų660%032%0.324CS..EExtended strand (participates in β ladder)trans-131.8142.5174.258.30000108.6P518 V547 L548 W571 L577 C580P518-V566 HydrophobicContact CB-CG1 4.37Å; P518-V566 HydrophobicContact CG-CG1 4.18Å; V547-V566 WeakPolarHBondContact CG1-O 3.4Å; L548-V566 HydrophobicContact CB-CG1 4.2Å; L548-V566 PolarHBondContact N-O 2.86Å; L548-V566 PolarHBondContact O-N 3.12Å; L548-V566 VanDerWaalsContact O-N 3.08Å; V566-W571 HydrophobicContact CG1-CB 4.19Å; V566-W571 HydrophobicContact CG1-CE3 4.48Å; V566-W571 HydrophobicContact CG2-CB 4.08Å; V566-L577 HydrophobicContact CB-CD1 4.4Å; V566-L577 HydrophobicContact CG1-CD1 3.92Å; V566-C580 HydrophobicContact CG2-CB 3.64Å; V566-C580 WeakPolarHBondContact CG2-O 3.21Å
567K93.6Very high85.9Confident26 Ų2658.8 Ų58.811%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-63.6140.9174.7-63.4-169.1-175.6-169.80110.8L539 Q540 D545 S569 D570 W571L539-K567 HydrophobicContact CD1-CG 4.37Å; L539-K567 HydrophobicContact CD2-CG 4.3Å; Q540-K567 WeakPolarHBondContact O-CE 3.23Å; Q540-K567 PolarHBondContact O-NZ 3.14Å; D545-K567 WeakPolarHBondContact OD2-CE 3.48Å; D545-K567 IonicContact OD2-NZ 3.97Å; D545-K567 PolarHBondContact OD2-NZ 3.18Å; K567-S569 WeakPolarHBondContact CB-OG 3.33Å; K567-S569 PolarHBondContact O-N 3.4Å; K567-D570 HydrophobicContact CB-CB 4.13Å; K567-D570 PolarHBondContact O-N 3.32Å; K567-D570 VanDerWaalsContact O-N 3.16Å; K567-W571 WeakPolarHBondContact O-CB 3.42Å; K567-W571 PolarHBondContact O-N 2.97Å
568E91.3Very high85.7Confident36 Ų3660.3 Ų60.317%0.16830%0.298CS..Hα-helixtrans-61.5-35.1175.3-178.3161-126.200111.6K524 V546 L548 D570 N572K524-E568 WeakPolarHBondContact CE-OE1 3.31Å; K524-E568 IonicContact NZ-OE1 3.12Å; K524-E568 PolarHBondContact NZ-OE1 3.37Å; K524-E568 IonicContact NZ-OE2 3.75Å; K524-E568 PolarHBondContact NZ-OE2 2.7Å; V546-E568 HydrophobicContact CB-CB 4.23Å; V546-E568 HydrophobicContact CG1-CB 4.2Å; V546-E568 WeakPolarHBondContact CG1-OE2 3.41Å; V546-E568 PolarHBondContact O-N 3.44Å; L548-E568 HydrophobicContact CD1-CB 4.35Å; L548-E568 HydrophobicContact CD1-CG 4.49Å; L548-E568 HydrophobicContact CD2-CB 4.16Å; L548-E568 HydrophobicContact CD2-CG 4.41Å; L548-E568 HydrophobicContact CG-CB 4.09Å; E568-D570 PolarHBondContact O-N 3.44Å; E568-N572 WeakPolarHBondContact CG-ND2 3.44Å; E568-N572 VanDerWaalsContact O-CB 3.27Å; E568-N572 WeakPolarHBondContact O-CB 3.39Å; E568-N572 PolarHBondContact O-N 3.36Å; E568-N572 PolarHBondContact O-ND2 2.88Å
569S88.9Confident85.5Confident52 Ų5263 Ų6336%0.36431%0.307SS..Hα-helixtrans-57.5-47.9172.351.50000112.7K567 N572 Q573K567-S569 WeakPolarHBondContact CB-OG 3.33Å; K567-S569 PolarHBondContact O-N 3.4Å; S569-N572 PolarHBondContact O-N 3.47Å; S569-Q573 WeakPolarHBondContact O-CG 3.42Å; S569-Q573 PolarHBondContact O-N 3.37Å
570D87.3Confident85.4Confident46 Ų4659.8 Ų59.825%0.24629%0.292CS..Hα-helixtrans-81.1-35.8-167.9-54.9-0.3000109.8K567 E568 Q573 H574 C580K567-D570 HydrophobicContact CB-CB 4.13Å; K567-D570 PolarHBondContact O-N 3.32Å; K567-D570 VanDerWaalsContact O-N 3.16Å; E568-D570 PolarHBondContact O-N 3.44Å; D570-Q573 PolarHBondContact O-N 2.64Å; D570-H574 WeakPolarHBondContact O-CB 3.36Å; D570-H574 PolarHBondContact O-N 3.3Å; D570-H574 PolarHBondContact O-ND1 2.93Å; D570-C580 HydrophobicContact CB-CB 4.43Å
571W89.2Confident85.7Confident16 Ų1658.5 Ų58.56%0.06128%0.283CS..Hα-helixtrans-60.5-47.4169.8178.9-106.5000112D516 P518 L548 V566 K567 Q573 K575 L577D516-W571 PolarHBondContact O-NE1 3.3Å; P518-W571 VanDerWaalsContact CA-CZ2 3.46Å; P518-W571 HydrophobicContact CB-CD2 3.97Å; P518-W571 HydrophobicContact CB-CE3 4.06Å; P518-W571 HydrophobicContact CB-CH2 4.09Å; P518-W571 HydrophobicContact CB-CZ2 3.98Å; P518-W571 HydrophobicContact CB-CZ3 4.12Å; P518-W571 HydrophobicContact CG-CD2 4.41Å; L548-W571 HydrophobicContact CD1-CB 4.25Å; L548-W571 HydrophobicContact CD1-CG 4.1Å; V566-W571 HydrophobicContact CG1-CB 4.19Å; V566-W571 HydrophobicContact CG1-CE3 4.48Å; V566-W571 HydrophobicContact CG2-CB 4.08Å; K567-W571 WeakPolarHBondContact O-CB 3.42Å; K567-W571 PolarHBondContact O-N 2.97Å; W571-Q573 PolarHBondContact O-N 3.41Å; W571-K575 WeakPolarHBondContact CZ3-O 3.49Å; W571-K575 WeakPolarHBondContact O-CA 3.31Å; W571-K575 WeakPolarHBondContact O-CG 3.42Å; W571-K575 PolarHBondContact O-N 3.41Å; W571-L577 HydrophobicContact CE3-CD1 4.25Å; W571-L577 HydrophobicContact CZ3-CB 3.93Å; W571-L577 HydrophobicContact CZ3-CD1 4.11Å
572N85.5Confident86Confident87 Ų8757.6 Ų57.647%0.46527%0.274SS..Hα-helixtrans-64.4-26.7178.8-76.2-32.7000113.4E568 S569E568-N572 WeakPolarHBondContact CG-ND2 3.44Å; E568-N572 VanDerWaalsContact O-CB 3.27Å; E568-N572 WeakPolarHBondContact O-CB 3.39Å; E568-N572 PolarHBondContact O-N 3.36Å; E568-N572 PolarHBondContact O-ND2 2.88Å; S569-N572 PolarHBondContact O-N 3.47Å
573Q81.4Confident86Confident142 Ų14256.6 Ų56.666%0.66427%0.272SS*.Hα-helixtrans-88.3-47.8179.3-71.3175.531.900113.1S569 D570 W571S569-Q573 WeakPolarHBondContact O-CG 3.42Å; S569-Q573 PolarHBondContact O-N 3.37Å; D570-Q573 PolarHBondContact O-N 2.64Å; W571-Q573 PolarHBondContact O-N 3.41Å
574H76.7Confident86.1Confident106 Ų10656 Ų5649%0.49127%0.269SS..Hα-helixtrans-102.1-30.6-169.1-58.7107.4000114D570 E576D570-H574 WeakPolarHBondContact O-CB 3.36Å; D570-H574 PolarHBondContact O-N 3.3Å; D570-H574 PolarHBondContact O-ND1 2.93Å; H574-E576 PolarHBondContact O-N 2.95Å
575K78.3Confident86Confident114 Ų11455 Ų5550%0.49627%0.265SS..  trans52.715-172.7-57.1-170.7178.8-168.90115.8D516 W571D516-K575 WeakPolarHBondContact OD2-CE 3.39Å; D516-K575 IonicContact OD2-NZ 2.73Å; D516-K575 PolarHBondContact OD2-NZ 2.79Å; W571-K575 WeakPolarHBondContact CZ3-O 3.49Å; W571-K575 WeakPolarHBondContact O-CA 3.31Å; W571-K575 WeakPolarHBondContact O-CG 3.42Å; W571-K575 PolarHBondContact O-N 3.41Å
576E76.1Confident85.9Confident94 Ų9459.7 Ų59.744%0.43929%0.287SS..  trans-103.390-179.3-73.1-175.217600110.9H574 E578 K579 C580H574-E576 PolarHBondContact O-N 2.95Å; E576-E578 VanDerWaalsContact C-N 3.3Å; E576-E578 PolarHBondContact O-N 3.38Å; E576-K579 PolarHBondContact O-N 3.03Å; E576-K579 IonicContact OE1-NZ 2.92Å; E576-K579 WeakPolarHBondContact OE2-CD 3.45Å; E576-K579 WeakPolarHBondContact OE2-CE 3.42Å; E576-K579 IonicContact OE2-NZ 2.83Å; E576-K579 PolarHBondContact OE2-NZ 3.11Å; E576-C580 PolarHBondContact O-N 3.33Å
577L77Confident85.7Confident27 Ų2765.4 Ų65.414%0.14132%0.317CS..Hα-helixtrans-56.7-42.1-173.9-166.965.4000113P518 I550 V566 W571 K579 C580 R581P518-L577 HydrophobicContact CB-CD1 3.74Å; I550-L577 HydrophobicContact CD1-CD1 3.94Å; I550-L577 HydrophobicContact CD1-CD2 4.28Å; I550-L577 HydrophobicContact CD1-CG 4.28Å; V566-L577 HydrophobicContact CB-CD1 4.4Å; V566-L577 HydrophobicContact CG1-CD1 3.92Å; W571-L577 HydrophobicContact CE3-CD1 4.25Å; W571-L577 HydrophobicContact CZ3-CB 3.93Å; W571-L577 HydrophobicContact CZ3-CD1 4.11Å; L577-K579 VanDerWaalsContact C-N 3.26Å; L577-K579 PolarHBondContact O-N 3.47Å; L577-C580 PolarHBondContact O-N 3.07Å; L577-R581 WeakPolarHBondContact O-CB 3.48Å; L577-R581 WeakPolarHBondContact O-CG 3.38Å; L577-R581 PolarHBondContact O-N 3.46Å
578E74.3Confident85.5Confident128 Ų12867 Ų6760%0.59832%0.324SS*.Hα-helixtrans-63.7-25.3-176-64.6-63.3130.400114.2E576 R581E576-E578 VanDerWaalsContact C-N 3.3Å; E576-E578 PolarHBondContact O-N 3.38Å; E578-R581 IonicContact OE1-CZ 2.71Å; E578-R581 IonicContact OE1-NH1 2.84Å; E578-R581 PolarHBondContact OE1-NH1 3.3Å; E578-R581 IonicContact OE1-NH2 2.9Å; E578-R581 IonicContact OE2-CZ 2.74Å; E578-R581 IonicContact OE2-NH1 3.79Å; E578-R581 PolarHBondContact OE2-NH1 2.95Å; E578-R581 IonicContact OE2-NH2 3.59Å; E578-R581 PolarHBondContact OE2-NH2 3.3Å
579K76.1Confident85.5Confident159 Ų15966.2 Ų66.269%0.69132%0.322SS*.Hα-helixtrans-99.7-21.6-178.5-63.2-168.7-161.7148.70113.8E576 L577E576-K579 PolarHBondContact O-N 3.03Å; E576-K579 IonicContact OE1-NZ 2.92Å; E576-K579 WeakPolarHBondContact OE2-CD 3.45Å; E576-K579 WeakPolarHBondContact OE2-CE 3.42Å; E576-K579 IonicContact OE2-NZ 2.83Å; E576-K579 PolarHBondContact OE2-NZ 3.11Å; L577-K579 VanDerWaalsContact C-N 3.26Å; L577-K579 PolarHBondContact O-N 3.47Å
580C82.1Confident85.6Confident23 Ų2369.6 Ų69.616%0.15533%0.332CS..Hα-helixtrans-111.8-6.2-173.3-59.80000113.9V566 D570 E576 L577V566-C580 HydrophobicContact CG2-CB 3.64Å; V566-C580 WeakPolarHBondContact CG2-O 3.21Å; D570-C580 HydrophobicContact CB-CB 4.43Å; E576-C580 PolarHBondContact O-N 3.33Å; L577-C580 PolarHBondContact O-N 3.07Å
581R89.5Confident85.7Confident68 Ų6875.4 Ų75.426%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-75.9148.717274.6172.3-179.7-116.3-21.4111.8I550 M564 G565 L577 E578I550-R581 HydrophobicContact CD1-CB 4.1Å; M564-R581 HydrophobicContact SD-CB 4.3Å; M564-R581 HydrophobicContact SD-CG 4.24Å; G565-R581 CarbonylContact O-C 3.59Å; G565-R581 VanDerWaalsContact O-CA 3.25Å; G565-R581 WeakPolarHBondContact O-CA 3.35Å; L577-R581 WeakPolarHBondContact O-CB 3.48Å; L577-R581 WeakPolarHBondContact O-CG 3.38Å; L577-R581 PolarHBondContact O-N 3.46Å; E578-R581 IonicContact OE1-CZ 2.71Å; E578-R581 IonicContact OE1-NH1 2.84Å; E578-R581 PolarHBondContact OE1-NH1 3.3Å; E578-R581 IonicContact OE1-NH2 2.9Å; E578-R581 IonicContact OE2-CZ 2.74Å; E578-R581 IonicContact OE2-NH1 3.79Å; E578-R581 PolarHBondContact OE2-NH1 2.95Å; E578-R581 IonicContact OE2-NH2 3.59Å; E578-R581 PolarHBondContact OE2-NH2 3.3Å
582G92.1Very high85.6Confident4 Ų477 Ų774%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-161.7169.4168.800000111.9D537 M564 G565D537-G582 CarbonylContact O-C 3.55Å; D537-G582 WeakPolarHBondContact O-CA 3.38Å; M564-G582 VanDerWaalsContact SD-C 3.59Å; G565-G582 PolarHBondContact N-O 3.27Å; G565-G582 PolarHBondContact O-N 3.41Å
583V93.9Very high84.8Confident22 Ų2282 Ų8213%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-86.7143.3176.2-60.30000111.6D537 E538 L539 F552 W562 L563 M564D537-V583 PolarHBondContact O-N 3.09Å; E538-V583 CarbonylContact C-O 3.46Å; E538-V583 WeakPolarHBondContact CA-O 3.33Å; E538-V583 HydrophobicContact CG-CG2 4.01Å; L539-V583 PolarHBondContact N-O 3.23Å; F552-V583 HydrophobicContact CE1-CG1 3.75Å; F552-V583 HydrophobicContact CZ-CG1 4.04Å; W562-V583 HydrophobicContact CE3-CB 4.09Å; W562-V583 HydrophobicContact CE3-CG2 3.93Å; W562-V583 HydrophobicContact CZ3-CG2 4.19Å; L563-V583 CarbonylContact O-C 3.52Å; L563-V583 VanDerWaalsContact O-CA 3.27Å; L563-V583 WeakPolarHBondContact O-CA 3.35Å; M564-V583 HydrophobicContact CE-CG1 3.46Å; M564-V583 VanDerWaalsContact CE-CG1 3.46Å; M564-V583 HydrophobicContact SD-CG1 4.07Å
584F93.8Very high84.9Confident0 Ų079 Ų790%039%0.386CS..EExtended strand (participates in β ladder)trans-142.9153.1175.764.2-85.4000110.9V525 L539 L541 V547 V549 W562 L563 E586 T589V525-F584 HydrophobicContact CG2-CE2 3.82Å; V525-F584 HydrophobicContact CG2-CZ 3.78Å; L539-F584 HydrophobicContact CB-CB 4.39Å; L539-F584 HydrophobicContact CD2-CD1 4.17Å; L541-F584 HydrophobicContact CD1-CB 3.92Å; L541-F584 HydrophobicContact CD1-CD2 3.95Å; L541-F584 HydrophobicContact CD1-CG 4.05Å; L541-F584 HydrophobicContact CG-CB 4.48Å; V547-F584 HydrophobicContact CB-CE1 4.49Å; V547-F584 HydrophobicContact CB-CZ 4.4Å; V547-F584 HydrophobicContact CG1-CD1 4.21Å; V547-F584 HydrophobicContact CG1-CE1 3.59Å; V547-F584 HydrophobicContact CG1-CZ 3.93Å; V549-F584 HydrophobicContact CG2-CZ 4.12Å; W562-F584 WeakPolarHBondContact CA-O 3.4Å; W562-F584 VanDerWaalsContact CE3-C 3.48Å; L563-F584 HydrophobicContact CB-CD1 4.46Å; L563-F584 HydrophobicContact CB-CD2 4.46Å; L563-F584 HydrophobicContact CB-CE1 3.83Å; L563-F584 HydrophobicContact CB-CE2 3.83Å; L563-F584 HydrophobicContact CB-CZ 3.48Å; L563-F584 VanDerWaalsContact CB-CZ 3.48Å; L563-F584 HydrophobicContact CD1-CE2 3.98Å; L563-F584 HydrophobicContact CD1-CZ 3.98Å; L563-F584 HydrophobicContact CG-CE2 4.44Å; L563-F584 HydrophobicContact CG-CZ 4.37Å; L563-F584 PolarHBondContact N-O 3.4Å; L563-F584 WeakPolarHBondContact O-CD1 3.45Å; L563-F584 PolarHBondContact O-N 2.67Å; F584-E586 PolarHBondContact O-N 3.33Å; F584-T589 HydrophobicContact CD2-CG2 3.66Å; F584-T589 HydrophobicContact CE2-CG2 3.57Å
585P91.9Very high85.4Confident5 Ų577.6 Ų77.63%0.03238%0.38CS..EExtended strand (participates in β ladder)trans-72.3127.2-179.626.4-32.2000111.5Y531 N587 F588Y531-P585 HydrophobicContact CD2-CG 3.57Å; Y531-P585 HydrophobicContact CE2-CG 3.64Å; Y531-P585 HydrophobicContact CG-CG 4.17Å; P585-N587 VanDerWaalsContact C-N 3.26Å; P585-N587 PolarHBondContact O-N 3.02Å; P585-F588 HydrophobicContact CB-CD2 3.9Å; P585-F588 HydrophobicContact CG-CB 4.07Å; P585-F588 HydrophobicContact CG-CD2 3.54Å; P585-F588 HydrophobicContact CG-CE2 4.18Å; P585-F588 HydrophobicContact CG-CG 3.85Å; P585-F588 PolarHBondContact O-N 2.7Å
586E91Very high85.8Confident99 Ų9975.6 Ų75.646%0.46337%0.374SS..G310 helixtrans-56.7-41.9-178.8-177.4173.1-164.100111.6G561 L563 F584 F588 T589G561-E586 WeakPolarHBondContact O-CB 3.29Å; G561-E586 PolarHBondContact O-N 3.18Å; L563-E586 HydrophobicContact CD1-CB 4.13Å; L563-E586 HydrophobicContact CD1-CG 3.92Å; L563-E586 HydrophobicContact CG-CB 4.03Å; L563-E586 HydrophobicContact CG-CG 4.22Å; F584-E586 PolarHBondContact O-N 3.33Å; E586-F588 PolarHBondContact O-N 2.85Å; E586-T589 PolarHBondContact O-N 2.91Å; E586-T589 PolarHBondContact O-OG1 2.77Å
587N90.1Very high86.3Confident119 Ų11974.5 Ų74.564%0.63637%0.37SS*.G310 helixtrans-70.6-0.7-17674.8-83.9000114.9P585P585-N587 VanDerWaalsContact C-N 3.26Å; P585-N587 PolarHBondContact O-N 3.02Å
588F88.6Confident86.9Confident59 Ų5977.4 Ų77.426%0.25938%0.384SS..G310 helixtrans-96.90.5170.2-81.6-116.6000112Q528 H529 Y531 P585 E586Q528-F588 PolarHBondContact N-O 2.9Å; H529-F588 HydrophobicContact CB-CD1 3.66Å; H529-F588 HydrophobicContact CB-CE1 4.04Å; Y531-F588 HydrophobicContact CD2-CD1 4.23Å; Y531-F588 HydrophobicContact CD2-CE1 4.24Å; P585-F588 HydrophobicContact CB-CD2 3.9Å; P585-F588 HydrophobicContact CG-CB 4.07Å; P585-F588 HydrophobicContact CG-CD2 3.54Å; P585-F588 HydrophobicContact CG-CE2 4.18Å; P585-F588 HydrophobicContact CG-CG 3.85Å; P585-F588 PolarHBondContact O-N 2.7Å; E586-F588 PolarHBondContact O-N 2.85Å
589T90.9Very high87.7Confident21 Ų2174.1 Ų74.113%0.12937%0.37CS..EExtended strand (participates in β ladder)trans-132.9150.7-171.470.50000112.3V525 Q526 L541 F584 E586V525-T589 HydrophobicContact CG2-CG2 4.06Å; Q526-T589 CarbonylContact O-C 3.6Å; Q526-T589 VanDerWaalsContact O-CA 3.23Å; Q526-T589 WeakPolarHBondContact O-CA 3.49Å; L541-T589 HydrophobicContact CD1-CG2 3.97Å; F584-T589 HydrophobicContact CD2-CG2 3.66Å; F584-T589 HydrophobicContact CE2-CG2 3.57Å; E586-T589 PolarHBondContact O-N 2.91Å; E586-T589 PolarHBondContact O-OG1 2.77Å
590E92Very high88.6Confident122 Ų12268 Ų6857%0.5735%0.347SS*.EExtended strand (participates in β ladder)trans-119.4145.2173.8-171.6171.4-166.400110.4V525 Q526 Q528 V592V525-E590 CarbonylContact C-O 3.58Å; V525-E590 WeakPolarHBondContact CA-O 3.44Å; V525-E590 WeakPolarHBondContact CB-O 3.49Å; Q526-E590 PolarHBondContact N-O 2.84Å; Q526-E590 PolarHBondContact O-N 2.97Å; Q528-E590 HydrophobicContact CG-CB 3.91Å; Q528-E590 PolarHBondContact NE2-OE2 3.42Å; E590-V592 PolarHBondContact O-N 3.36Å
591R89.3Confident89.1Confident168 Ų16871.5 Ų71.563%0.63436%0.362SS*.EExtended strand (participates in β ladder)trans-71.6125.2-177.8-128.9-178.2-169.3-1663110.8F523 V525F523-R591 HydrophobicContact CD2-CG 3.57Å; F523-R591 VanDerWaalsContact CE1-NH2 3.3Å; F523-R591 HydrophobicContact CE2-CG 3.99Å; F523-R591 HydrophobicContact CG-CG 4.39Å; V525-R591 HydrophobicContact CG1-CG 4.3Å
592V86.4Confident89Confident51 Ų5171.8 Ų71.831%0.30937%0.371SS..EExtended strand (participates in β ladder)trans-91.6132174.8-1730000108.3K524 Q526 E590K524-V592 HydrophobicContact CB-CB 4.06Å; K524-V592 PolarHBondContact O-N 3.29Å; Q526-V592 HydrophobicContact CB-CG2 3.55Å; E590-V592 PolarHBondContact O-N 3.36Å
593P68.4Low88.8Confident191 Ų19177.9 Ų77.9100%1.2440%0.401SS*.  trans-67.50177.628.9-35.7000113.7

Retrieved 593 of 593 residues in 364.7 ms (Link to these results)

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