A0A5K4FEP6_SCHMA Loading...

Polymorphic mucin variant C-r1/3.1a; Polymorphic mucin variant IC-r1/3.1a AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FEP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 252 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
1M50.4Low62.4Low200 Ų200112.5 Ų112.599%0.98556%0.559SS**  01170-14615682.200108.5K3 I6M1-K3 PolarHBondContact O-N 2.98Å; M1-I6 HydrophobicContact CB-CD1 4.48Å; M1-I6 HydrophobicContact CE-CD1 3.65Å; M1-I6 HydrophobicContact CE-CG1 3.72Å; M1-I6 HydrophobicContact CG-CD1 4.46Å; M1-I6 HydrophobicContact CG-CG1 4.47Å
2N66.9Low62.4Low98 Ų98109.3 Ų109.352%0.52454%0.537SS..  trans-70.3126.8-169.5-164.5-19.7000110K4 I5 I6N2-K4 PolarHBondContact O-N 3.05Å; N2-I5 HydrophobicContact CB-CD1 3.85Å; N2-I5 HydrophobicContact CB-CG1 4.02Å; N2-I5 WeakPolarHBondContact O-CB 3.24Å; N2-I5 PolarHBondContact O-N 2.88Å; N2-I6 PolarHBondContact O-N 3.36Å
3K62.4Low62.3Low182 Ų182106.3 Ų106.379%0.79153%0.529SS*.Hα-helixtrans-51.6-31.7-179.3-77.1-176.5176.9-179.80112.3M1 L7M1-K3 PolarHBondContact O-N 2.98Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.15Å
4K63.8Low62.2Low160 Ų160101.7 Ų101.770%0.69652%0.516SS*.Hα-helixtrans-63.5-40.7174.6-70.8-173.3176.1-1770113.5N2 L7 L8N2-K4 PolarHBondContact O-N 3.05Å; K4-L7 PolarHBondContact O-N 2.88Å; K4-L8 WeakPolarHBondContact O-CB 3.26Å; K4-L8 WeakPolarHBondContact O-CD1 3.25Å; K4-L8 WeakPolarHBondContact O-CG 3.48Å; K4-L8 PolarHBondContact O-N 2.96Å
5I66Low62Low96 Ų9696.7 Ų96.749%0.49249%0.491SS..Hα-helixtrans-65.6-45.5-179.9-65.4171.9000109.6N2 L7 L8 T9N2-I5 HydrophobicContact CB-CD1 3.85Å; N2-I5 HydrophobicContact CB-CG1 4.02Å; N2-I5 WeakPolarHBondContact O-CB 3.24Å; N2-I5 PolarHBondContact O-N 2.88Å; I5-L7 VanDerWaalsContact C-N 3.32Å; I5-L7 PolarHBondContact O-N 3.42Å; I5-L8 PolarHBondContact O-N 3.45Å; I5-T9 PolarHBondContact O-N 2.7Å; I5-T9 PolarHBondContact O-OG1 2.99Å
6I63.1Low61.9Low68 Ų6893.3 Ų93.335%0.34947%0.473SS..Hα-helixtrans-59.4-44.8177.6-65165.5000110.8M1 N2 T9 I10M1-I6 HydrophobicContact CB-CD1 4.48Å; M1-I6 HydrophobicContact CE-CD1 3.65Å; M1-I6 HydrophobicContact CE-CG1 3.72Å; M1-I6 HydrophobicContact CG-CD1 4.46Å; M1-I6 HydrophobicContact CG-CG1 4.47Å; N2-I6 PolarHBondContact O-N 3.36Å; I6-T9 PolarHBondContact O-N 2.94Å; I6-I10 HydrophobicContact CG2-CD1 3.7Å; I6-I10 HydrophobicContact CG2-CG1 4.41Å; I6-I10 VanDerWaalsContact O-CG1 3.26Å; I6-I10 WeakPolarHBondContact O-CG1 3.47Å; I6-I10 PolarHBondContact O-N 3.32Å
7L61.2Low61.7Low113 Ų11395.4 Ų95.459%0.59248%0.484SS*.Hα-helixtrans-63.9-43.7179.4-13593.5000112K3 K4 I5 I10 I11K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.15Å; K4-L7 PolarHBondContact O-N 2.88Å; I5-L7 VanDerWaalsContact C-N 3.32Å; I5-L7 PolarHBondContact O-N 3.42Å; L7-I10 PolarHBondContact O-N 3.28Å; L7-I11 HydrophobicContact CD2-CD1 4.27Å; L7-I11 WeakPolarHBondContact O-CB 3.28Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 3.27Å
8L60.4Low62Low69 Ų6999.1 Ų99.136%0.36149%0.491SS..Hα-helixtrans-60.5-45.8176.3-80.2161.3000111.5K4 I5 I11 Y12 E153K4-L8 WeakPolarHBondContact O-CB 3.26Å; K4-L8 WeakPolarHBondContact O-CD1 3.25Å; K4-L8 WeakPolarHBondContact O-CG 3.48Å; K4-L8 PolarHBondContact O-N 2.96Å; I5-L8 PolarHBondContact O-N 3.45Å; L8-I11 PolarHBondContact O-N 2.91Å; L8-Y12 VanDerWaalsContact O-CB 3.28Å; L8-Y12 WeakPolarHBondContact O-CB 3.33Å; L8-Y12 PolarHBondContact O-N 2.87Å; L8-E153 VanDerWaalsContact CD2-OE1 3.23Å; L8-E153 WeakPolarHBondContact CD2-OE1 3.44Å
9T63.2Low62.6Low76 Ų7694.2 Ų94.247%0.46647%0.467SS..Hα-helixtrans-63.8-41.7177.5-510000111.8I5 I6 Y12 V13I5-T9 PolarHBondContact O-N 2.7Å; I5-T9 PolarHBondContact O-OG1 2.99Å; I6-T9 PolarHBondContact O-N 2.94Å; T9-Y12 PolarHBondContact O-N 3.44Å; T9-V13 HydrophobicContact CG2-CG2 4.46Å; T9-V13 WeakPolarHBondContact O-CB 3.14Å; T9-V13 VanDerWaalsContact O-CG2 3.24Å; T9-V13 WeakPolarHBondContact O-CG2 3.31Å; T9-V13 PolarHBondContact O-N 3.44Å
10I64.6Low63.6Low105 Ų10591.1 Ų91.154%0.53845%0.454SS..Hα-helixtrans-64.9-43.6177.5-68.9168.3000111.1I6 L7 V13 A14I6-I10 HydrophobicContact CG2-CD1 3.7Å; I6-I10 HydrophobicContact CG2-CG1 4.41Å; I6-I10 VanDerWaalsContact O-CG1 3.26Å; I6-I10 WeakPolarHBondContact O-CG1 3.47Å; I6-I10 PolarHBondContact O-N 3.32Å; L7-I10 PolarHBondContact O-N 3.28Å; I10-V13 PolarHBondContact O-N 3.01Å; I10-A14 VanDerWaalsContact O-CB 3.28Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.08Å
11I64Low64.8Low70 Ų7092.5 Ų92.536%0.35946%0.46SS..Hα-helixtrans-63.6-44.8177.6-69.5166.5000110.3L7 L8 A14 L15L7-I11 HydrophobicContact CD2-CD1 4.27Å; L7-I11 WeakPolarHBondContact O-CB 3.28Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 3.27Å; L8-I11 PolarHBondContact O-N 2.91Å; I11-A14 PolarHBondContact O-N 2.76Å; I11-L15 HydrophobicContact CG2-CD1 3.86Å; I11-L15 HydrophobicContact CG2-CG 4.4Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 2.87Å
12Y62.8Low66.6Low74 Ų7487.3 Ų87.329%0.2943%0.433SS..Hα-helixtrans-59.3-48.9176.8173.3-105.9000111.9L8 T9 A14 L15 M16 E219L8-Y12 VanDerWaalsContact O-CB 3.28Å; L8-Y12 WeakPolarHBondContact O-CB 3.33Å; L8-Y12 PolarHBondContact O-N 2.87Å; T9-Y12 PolarHBondContact O-N 3.44Å; Y12-A14 VanDerWaalsContact C-N 3.34Å; Y12-A14 PolarHBondContact O-N 3.48Å; Y12-L15 PolarHBondContact O-N 3.43Å; Y12-M16 HydrophobicContact CD1-CG 4.44Å; Y12-M16 HydrophobicContact CD2-CG 4.2Å; Y12-M16 HydrophobicContact CE1-CG 3.95Å; Y12-M16 HydrophobicContact CE2-CG 3.61Å; Y12-M16 HydrophobicContact CE2-SD 4.1Å; Y12-M16 WeakPolarHBondContact O-CB 3.48Å; Y12-M16 WeakPolarHBondContact O-CG 3.38Å; Y12-M16 PolarHBondContact O-N 2.95Å; Y12-E219 WeakPolarHBondContact CD2-OE1 3.15Å; Y12-E219 WeakPolarHBondContact CE2-OE1 3.48Å; Y12-E219 WeakPolarHBondContact CE2-OE2 3.46Å; Y12-E219 PolarHBondContact OH-OE2 2.82Å
13V60.8Low67.7Low71 Ų7182.7 Ų82.743%0.4341%0.408SS..Hα-helixtrans-61-42.9176.3171.50000111T9 I10 L15 M16 I17T9-V13 HydrophobicContact CG2-CG2 4.46Å; T9-V13 WeakPolarHBondContact O-CB 3.14Å; T9-V13 VanDerWaalsContact O-CG2 3.24Å; T9-V13 WeakPolarHBondContact O-CG2 3.31Å; T9-V13 PolarHBondContact O-N 3.44Å; I10-V13 PolarHBondContact O-N 3.01Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.23Å; V13-M16 PolarHBondContact O-N 3.16Å; V13-I17 HydrophobicContact CG1-CD1 3.94Å; V13-I17 VanDerWaalsContact O-CG1 3.26Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.45Å
14A60.6Low69.1Low42 Ų4276.3 Ų76.335%0.34738%0.38SS..Hα-helixtrans-64.9-35.6178.100000112.9I10 I11 Y12I10-A14 VanDerWaalsContact O-CB 3.28Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.08Å; I11-A14 PolarHBondContact O-N 2.76Å; Y12-A14 VanDerWaalsContact C-N 3.34Å; Y12-A14 PolarHBondContact O-N 3.48Å
15L60.6Low70.6Confident26 Ų2671.7 Ų71.714%0.13637%0.365CS..Hα-helixtrans-69.7-43.6173.7-73.4168.7000110.9I11 Y12 V13 I17 R18 V19 L154 L226I11-L15 HydrophobicContact CG2-CD1 3.86Å; I11-L15 HydrophobicContact CG2-CG 4.4Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 2.87Å; Y12-L15 PolarHBondContact O-N 3.43Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.23Å; L15-I17 VanDerWaalsContact C-N 3.27Å; L15-I17 PolarHBondContact O-N 3.37Å; L15-R18 PolarHBondContact O-N 3.12Å; L15-V19 PolarHBondContact O-N 3.21Å; L15-L154 HydrophobicContact CD1-CD2 4.28Å; L15-L226 HydrophobicContact CB-CD1 4.11Å; L15-L226 HydrophobicContact CD1-CD1 4.37Å; L15-L226 HydrophobicContact CD2-CD1 4.34Å
16M59.1Low72Confident43 Ų4371.4 Ų71.421%0.21236%0.358CS..Hα-helixtrans-62-31.9177.2-76.1-65.4-81.900113.3Y12 V13 R18 V19 K24 F222Y12-M16 HydrophobicContact CD1-CG 4.44Å; Y12-M16 HydrophobicContact CD2-CG 4.2Å; Y12-M16 HydrophobicContact CE1-CG 3.95Å; Y12-M16 HydrophobicContact CE2-CG 3.61Å; Y12-M16 HydrophobicContact CE2-SD 4.1Å; Y12-M16 WeakPolarHBondContact O-CB 3.48Å; Y12-M16 WeakPolarHBondContact O-CG 3.38Å; Y12-M16 PolarHBondContact O-N 2.95Å; V13-M16 PolarHBondContact O-N 3.16Å; M16-R18 VanDerWaalsContact C-N 3.26Å; M16-R18 PolarHBondContact O-N 3.46Å; M16-V19 PolarHBondContact O-N 3.32Å; M16-K24 WeakPolarHBondContact O-CE 3.43Å; M16-K24 PolarHBondContact O-NZ 3.39Å; M16-K24 VanDerWaalsContact O-NZ 3.08Å; M16-F222 HydrophobicContact CE-CD2 4.2Å; M16-F222 HydrophobicContact CE-CE2 4Å; M16-F222 HydrophobicContact CE-CZ 4.16Å; M16-F222 HydrophobicContact SD-CB 4.48Å; M16-F222 HydrophobicContact SD-CD1 4.12Å; M16-F222 HydrophobicContact SD-CD2 4.2Å; M16-F222 HydrophobicContact SD-CE1 4.38Å; M16-F222 HydrophobicContact SD-CE2 4.48Å; M16-F222 HydrophobicContact SD-CG 4.03Å
17I58.9Low73.6Confident129 Ų12968.2 Ų68.266%0.66234%0.342SS*.Hα-helixtrans-67-27.6174.7-69.9165000111.8V13 L15V13-I17 HydrophobicContact CG1-CD1 3.94Å; V13-I17 VanDerWaalsContact O-CG1 3.26Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.45Å; L15-I17 VanDerWaalsContact C-N 3.27Å; L15-I17 PolarHBondContact O-N 3.37Å
18R67.8Low75.2Confident161 Ų16168.5 Ų68.561%0.60834%0.338SS*.Hα-helixtrans-87.7-11.3-178.7-69.1-178.4-175.71591.7114.2L15 M16L15-R18 PolarHBondContact O-N 3.12Å; M16-R18 VanDerWaalsContact C-N 3.26Å; M16-R18 PolarHBondContact O-N 3.46Å
19V72.2Confident77Confident6 Ų668.7 Ų68.74%0.03634%0.337CS..SBendtrans-77.9127.4179.9-177.40000109.8L15 M16 L23 K24 F222 L226L15-V19 PolarHBondContact O-N 3.21Å; M16-V19 PolarHBondContact O-N 3.32Å; V19-L23 HydrophobicContact CG1-CB 3.98Å; V19-L23 HydrophobicContact CG1-CD2 3.66Å; V19-L23 HydrophobicContact CG1-CG 4Å; V19-K24 HydrophobicContact CG1-CG 4.21Å; V19-K24 VanDerWaalsContact O-CE 3.3Å; V19-K24 WeakPolarHBondContact O-CE 3.46Å; V19-F222 HydrophobicContact CB-CE1 4.43Å; V19-F222 HydrophobicContact CG1-CD1 4.09Å; V19-F222 HydrophobicContact CG1-CE1 3.81Å; V19-F222 HydrophobicContact CG2-CD1 4.31Å; V19-L226 HydrophobicContact CG2-CD2 4.37Å
20P83.6Confident78.6Confident33 Ų3365.3 Ų65.321%0.21432%0.316CS..  trans-57.4140178.3-25.934.6000113H22 L23 K24 Y139P20-H22 WeakPolarHBondContact CB-CE1 3.37Å; P20-H22 VanDerWaalsContact CB-ND1 3.31Å; P20-H22 WeakPolarHBondContact CB-ND1 3.28Å; P20-H22 PolarHBondContact O-N 2.85Å; P20-H22 VanDerWaalsContact O-N 3.16Å; P20-L23 WeakPolarHBondContact O-CB 3.47Å; P20-L23 PolarHBondContact O-N 3.01Å; P20-K24 PolarHBondContact O-N 3.38Å; P20-Y139 VanDerWaalsContact CD-CE2 3.42Å; P20-Y139 HydrophobicContact CG-CD2 3.9Å; P20-Y139 HydrophobicContact CG-CE2 3.75Å
21E88Confident80.1Confident121 Ų12162 Ų6257%0.56530%0.298SS*.Hα-helixtrans-57.9-31.5-179.9-72.9-55.4131.200113.3L23 K24 T25E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.98Å; E21-K24 PolarHBondContact O-N 2.89Å; E21-K24 WeakPolarHBondContact OE1-CD 3.41Å; E21-K24 IonicContact OE1-NZ 2.76Å; E21-K24 PolarHBondContact OE1-NZ 3.27Å; E21-T25 WeakPolarHBondContact O-CB 3.05Å; E21-T25 PolarHBondContact O-N 3.19Å; E21-T25 PolarHBondContact O-OG1 3.15Å
22H88.8Confident81.7Confident90 Ų9060.8 Ų60.842%0.41729%0.292SS..Hα-helixtrans-63.1-37.8175.868.4-106.9000111.5P20 T25 R26 V135P20-H22 WeakPolarHBondContact CB-CE1 3.37Å; P20-H22 VanDerWaalsContact CB-ND1 3.31Å; P20-H22 WeakPolarHBondContact CB-ND1 3.28Å; P20-H22 PolarHBondContact O-N 2.85Å; P20-H22 VanDerWaalsContact O-N 3.16Å; H22-T25 PolarHBondContact O-N 3.15Å; H22-R26 WeakPolarHBondContact O-CG 2.82Å; H22-R26 PolarHBondContact O-N 3.39Å; H22-R26 VanDerWaalsContact O-N 3.09Å; H22-V135 VanDerWaalsContact CD2-CG1 3.44Å; H22-V135 WeakPolarHBondContact CD2-CG1 3.14Å
23L90.8Very high83.3Confident1 Ų157.4 Ų57.41%0.00528%0.279CS..Hα-helixtrans-71.8-41.6177.8-179.957.7000110.8V19 P20 E21 T25 R26 I27 L132 V135 Y139 I225V19-L23 HydrophobicContact CG1-CB 3.98Å; V19-L23 HydrophobicContact CG1-CD2 3.66Å; V19-L23 HydrophobicContact CG1-CG 4Å; P20-L23 WeakPolarHBondContact O-CB 3.47Å; P20-L23 PolarHBondContact O-N 3.01Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.98Å; L23-T25 VanDerWaalsContact C-N 3.29Å; L23-T25 PolarHBondContact O-N 3.43Å; L23-R26 PolarHBondContact O-N 2.95Å; L23-I27 HydrophobicContact CD1-CD1 4.18Å; L23-I27 HydrophobicContact CD1-CG1 4.41Å; L23-I27 HydrophobicContact CG-CD1 4.03Å; L23-I27 WeakPolarHBondContact O-CG1 3.41Å; L23-I27 PolarHBondContact O-N 2.92Å; L23-L132 HydrophobicContact CD1-CD1 3.91Å; L23-V135 HydrophobicContact CB-CG1 4.39Å; L23-V135 HydrophobicContact CD1-CG1 3.96Å; L23-Y139 HydrophobicContact CD2-CD1 3.7Å; L23-Y139 HydrophobicContact CD2-CE1 3.94Å; L23-Y139 HydrophobicContact CD2-CG 4.04Å; L23-I225 HydrophobicContact CD1-CD1 3.91Å; L23-I225 HydrophobicContact CD2-CD1 4.21Å; L23-I225 HydrophobicContact CD2-CG2 3.8Å; L23-I225 HydrophobicContact CG-CD1 4.39Å
24K91.6Very high85Confident49 Ų4954.4 Ų54.421%0.21326%0.26CS..Hα-helixtrans-58.3-43173.7-61.9-178.8-1741630112.1M16 V19 P20 E21 I27 K28 F222M16-K24 WeakPolarHBondContact O-CE 3.43Å; M16-K24 PolarHBondContact O-NZ 3.39Å; M16-K24 VanDerWaalsContact O-NZ 3.08Å; V19-K24 HydrophobicContact CG1-CG 4.21Å; V19-K24 VanDerWaalsContact O-CE 3.3Å; V19-K24 WeakPolarHBondContact O-CE 3.46Å; P20-K24 PolarHBondContact O-N 3.38Å; E21-K24 PolarHBondContact O-N 2.89Å; E21-K24 WeakPolarHBondContact OE1-CD 3.41Å; E21-K24 IonicContact OE1-NZ 2.76Å; E21-K24 PolarHBondContact OE1-NZ 3.27Å; K24-I27 PolarHBondContact O-N 3.23Å; K24-K28 PolarHBondContact O-N 2.66Å; K24-F222 HydrophobicContact CB-CE1 4.35Å; K24-F222 HydrophobicContact CB-CZ 4.01Å; K24-F222 HydrophobicContact CG-CE1 3.71Å; K24-F222 HydrophobicContact CG-CZ 3.72Å
25T94.7Very high86.7Confident62 Ų6255.2 Ų55.238%0.3826%0.255SS..Hα-helixtrans-62.4-42.6177.5-590000111.4E21 H22 L23 K28 H29E21-T25 WeakPolarHBondContact O-CB 3.05Å; E21-T25 PolarHBondContact O-N 3.19Å; E21-T25 PolarHBondContact O-OG1 3.15Å; H22-T25 PolarHBondContact O-N 3.15Å; L23-T25 VanDerWaalsContact C-N 3.29Å; L23-T25 PolarHBondContact O-N 3.43Å; T25-K28 WeakPolarHBondContact O-CB 3.15Å; T25-K28 PolarHBondContact O-N 2.75Å; T25-H29 PolarHBondContact O-CD2 3.48Å; T25-H29 PolarHBondContact O-N 3.38Å
26R96Very high88.5Confident91 Ų9157.9 Ų57.934%0.34327%0.269SS..Hα-helixtrans-68-40.8177.4-68.7-52.2-179.5-177-5.3113.4H22 L23 K28 H29 Y30 L132 V135H22-R26 WeakPolarHBondContact O-CG 2.82Å; H22-R26 PolarHBondContact O-N 3.39Å; H22-R26 VanDerWaalsContact O-N 3.09Å; L23-R26 PolarHBondContact O-N 2.95Å; R26-K28 VanDerWaalsContact C-N 3.27Å; R26-K28 PolarHBondContact O-N 3.05Å; R26-H29 PolarHBondContact O-N 2.91Å; R26-Y30 PolarHBondContact O-N 2.98Å; R26-L132 HydrophobicContact CB-CD1 3.88Å; R26-V135 HydrophobicContact CG-CB 4.14Å; R26-V135 HydrophobicContact CG-CG1 4.21Å; R26-V135 HydrophobicContact CG-CG2 3.79Å
27I95.4Very high90.2Very high1 Ų155.9 Ų55.91%0.00526%0.259CS..Hα-helixtrans-60-42.4173.1-71163.2000110L23 K24 H29 Y30 K31 L132 E221 F222 I225L23-I27 HydrophobicContact CD1-CD1 4.18Å; L23-I27 HydrophobicContact CD1-CG1 4.41Å; L23-I27 HydrophobicContact CG-CD1 4.03Å; L23-I27 WeakPolarHBondContact O-CG1 3.41Å; L23-I27 PolarHBondContact O-N 2.92Å; K24-I27 PolarHBondContact O-N 3.23Å; I27-H29 PolarHBondContact O-N 3Å; I27-Y30 PolarHBondContact O-N 3.4Å; I27-K31 HydrophobicContact CG2-CD 3.86Å; I27-K31 HydrophobicContact CG2-CG 4.23Å; I27-K31 WeakPolarHBondContact O-CB 3.44Å; I27-K31 WeakPolarHBondContact O-CG 3.35Å; I27-K31 PolarHBondContact O-N 3.19Å; I27-L132 HydrophobicContact CG1-CD1 3.81Å; I27-L132 HydrophobicContact CG1-CD2 4.33Å; I27-E221 HydrophobicContact CG1-CB 4.41Å; I27-E221 HydrophobicContact CG2-CB 4.34Å; I27-F222 HydrophobicContact CB-CE2 4.28Å; I27-F222 HydrophobicContact CB-CZ 4.17Å; I27-F222 HydrophobicContact CD1-CD1 3.38Å; I27-F222 HydrophobicContact CD1-CD2 3.98Å; I27-F222 HydrophobicContact CD1-CE1 3.25Å; I27-F222 HydrophobicContact CD1-CE2 3.86Å; I27-F222 HydrophobicContact CD1-CG 3.75Å; I27-F222 HydrophobicContact CD1-CZ 3.5Å; I27-F222 VanDerWaalsContact CD1-CZ 3.5Å; I27-F222 HydrophobicContact CG1-CZ 4.45Å; I27-F222 HydrophobicContact CG2-CD2 4.24Å; I27-F222 HydrophobicContact CG2-CE2 3.76Å; I27-F222 HydrophobicContact CG2-CZ 4.17Å; I27-I225 HydrophobicContact CD1-CD1 3.75Å; I27-I225 HydrophobicContact CG1-CD1 4.26Å
28K95.7Very high92Very high119 Ų11950.2 Ų50.252%0.51723%0.231SC..Hα-helixtrans-58.4-47174.5-172.9-167.9171.5-152.90112.2K24 T25 R26 Y30 K31 D32K24-K28 PolarHBondContact O-N 2.66Å; T25-K28 WeakPolarHBondContact O-CB 3.15Å; T25-K28 PolarHBondContact O-N 2.75Å; R26-K28 VanDerWaalsContact C-N 3.27Å; R26-K28 PolarHBondContact O-N 3.05Å; K28-Y30 PolarHBondContact O-N 3.07Å; K28-K31 WeakPolarHBondContact O-CB 3.47Å; K28-K31 PolarHBondContact O-N 3.42Å; K28-D32 WeakPolarHBondContact O-CB 3.46Å; K28-D32 PolarHBondContact O-N 3.09Å
29H97.6Very high93.2Very high73 Ų7344.6 Ų44.634%0.33821%0.213SC..Hα-helixtrans-62.1-43.2178.8-68.2-177.1000112.5T25 R26 I27 D32 A33 E128T25-H29 PolarHBondContact O-CD2 3.48Å; T25-H29 PolarHBondContact O-N 3.38Å; R26-H29 PolarHBondContact O-N 2.91Å; I27-H29 PolarHBondContact O-N 3Å; H29-D32 PolarHBondContact O-N 3.19Å; H29-A33 WeakPolarHBondContact O-CB 3.37Å; H29-A33 PolarHBondContact O-N 2.94Å; H29-E128 WeakPolarHBondContact CB-OE2 3.4Å
30Y97.1Very high94.3Very high4 Ų445.7 Ų45.72%0.01622%0.218CC..Hα-helixtrans-61-47.8175.1172.5-118.1000111.8R26 I27 K28 D32 A33 Y34 K125 E128 R129 L132 E221R26-Y30 PolarHBondContact O-N 2.98Å; I27-Y30 PolarHBondContact O-N 3.4Å; K28-Y30 PolarHBondContact O-N 3.07Å; Y30-D32 PolarHBondContact O-N 3.09Å; Y30-A33 PolarHBondContact O-N 3.35Å; Y30-Y34 WeakPolarHBondContact O-CB 3.4Å; Y30-Y34 PolarHBondContact O-N 2.94Å; Y30-K125 HydrophobicContact CE2-CG 4.37Å; Y30-E128 HydrophobicContact CD2-CB 4.42Å; Y30-R129 HydrophobicContact CD2-CB 4.04Å; Y30-R129 HydrophobicContact CE2-CB 3.8Å; Y30-R129 HydrophobicContact CE2-CG 4.41Å; Y30-L132 HydrophobicContact CD1-CD2 3.81Å; Y30-L132 HydrophobicContact CG-CD2 3.98Å; Y30-E221 HydrophobicContact CD1-CG 4.28Å; Y30-E221 HydrophobicContact CE1-CG 4.14Å
31K96.3Very high94.8Very high37 Ų3744.6 Ų44.616%0.16121%0.209CC..Hα-helixtrans-56.2-47.9174.7-75.2172.777.4-1740112.4I27 K28 A33 Y34 Y35 V214 D215 G218I27-K31 HydrophobicContact CG2-CD 3.86Å; I27-K31 HydrophobicContact CG2-CG 4.23Å; I27-K31 WeakPolarHBondContact O-CB 3.44Å; I27-K31 WeakPolarHBondContact O-CG 3.35Å; I27-K31 PolarHBondContact O-N 3.19Å; K28-K31 WeakPolarHBondContact O-CB 3.47Å; K28-K31 PolarHBondContact O-N 3.42Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 2.82Å; K31-Y34 WeakPolarHBondContact O-CB 3.23Å; K31-Y34 PolarHBondContact O-N 2.91Å; K31-Y35 PolarHBondContact O-N 3.41Å; K31-V214 HydrophobicContact CB-CG1 3.49Å; K31-V214 VanDerWaalsContact CB-CG1 3.49Å; K31-V214 WeakPolarHBondContact CE-O 3.45Å; K31-V214 HydrophobicContact CG-CG1 3.99Å; K31-V214 VanDerWaalsContact O-CG1 3.27Å; K31-V214 WeakPolarHBondContact O-CG1 3.31Å; K31-D215 WeakPolarHBondContact CE-OD1 3.32Å; K31-D215 IonicContact NZ-OD1 3.94Å; K31-D215 PolarHBondContact NZ-OD1 3.42Å; K31-G218 VanDerWaalsContact CD-CA 3.5Å
32D97.1Very high95.1Very high44 Ų4439.3 Ų39.324%0.23518%0.184CC..Hα-helixtrans-65.8-35.8-179.6-70.8-22.4000110.8K28 H29 Y30 N36 R211K28-D32 WeakPolarHBondContact O-CB 3.46Å; K28-D32 PolarHBondContact O-N 3.09Å; H29-D32 PolarHBondContact O-N 3.19Å; Y30-D32 PolarHBondContact O-N 3.09Å; D32-N36 WeakPolarHBondContact O-CB 3.41Å; D32-N36 PolarHBondContact O-N 2.94Å; D32-N36 PolarHBondContact O-ND2 3.02Å; D32-R211 IonicContact OD1-NH1 2.64Å; D32-R211 PolarHBondContact OD1-NH1 3.28Å
33A97.7Very high95.2Very high3 Ų338.9 Ų38.93%0.02519%0.185CC..Hα-helixtrans-69.4-36.5172.800000112.9H29 Y30 K31 N36 S37 K124 E128H29-A33 WeakPolarHBondContact O-CB 3.37Å; H29-A33 PolarHBondContact O-N 2.94Å; Y30-A33 PolarHBondContact O-N 3.35Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 2.82Å; A33-N36 PolarHBondContact O-N 3.45Å; A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.42Å; A33-K124 HydrophobicContact CB-CG 4.49Å; A33-E128 HydrophobicContact CB-CB 4.03Å; A33-E128 HydrophobicContact CB-CG 3.65Å
34Y96.4Very high95.2Very high8 Ų839.8 Ų39.83%0.03119%0.191CC..Hα-helixtrans-60.1-52.4172.3-165.8-78.2000111.2Y30 K31 N36 S37 S38 K125 V214 M217 D247Y30-Y34 WeakPolarHBondContact O-CB 3.4Å; Y30-Y34 PolarHBondContact O-N 2.94Å; K31-Y34 WeakPolarHBondContact O-CB 3.23Å; K31-Y34 PolarHBondContact O-N 2.91Å; Y34-N36 VanDerWaalsContact C-N 3.32Å; Y34-N36 PolarHBondContact O-N 3.1Å; Y34-S37 WeakPolarHBondContact O-CB 3.33Å; Y34-S37 PolarHBondContact O-N 3.39Å; Y34-S37 VanDerWaalsContact O-N 3.08Å; Y34-S38 WeakPolarHBondContact CE1-OG 3.44Å; Y34-S38 PolarHBondContact O-N 3.1Å; Y34-S38 PolarHBondContact O-OG 3.11Å; Y34-K125 HydrophobicContact CD2-CD 3.74Å; Y34-K125 HydrophobicContact CD2-CG 4.26Å; Y34-K125 HydrophobicContact CE2-CD 4.1Å; Y34-K125 HydrophobicContact CG-CD 4.45Å; Y34-V214 HydrophobicContact CD1-CG2 3.72Å; Y34-M217 HydrophobicContact CD1-CE 4.31Å; Y34-M217 HydrophobicContact CD1-SD 3.85Å; Y34-M217 HydrophobicContact CD2-CE 3.62Å; Y34-M217 HydrophobicContact CD2-SD 4.26Å; Y34-M217 HydrophobicContact CE1-CE 3.93Å; Y34-M217 HydrophobicContact CE1-SD 3.41Å; Y34-M217 WeakPolarHBondContact CE1-SD 3.42Å; Y34-M217 HydrophobicContact CE2-CE 3.2Å; Y34-M217 HydrophobicContact CE2-SD 3.9Å; Y34-M217 HydrophobicContact CG-CE 4.16Å; Y34-M217 HydrophobicContact CG-SD 4.25Å; Y34-D247 WeakPolarHBondContact CE2-OD1 3.34Å; Y34-D247 WeakPolarHBondContact CE2-OD2 3.43Å; Y34-D247 PolarHBondContact OH-OD1 3.05Å
35Y96.4Very high95.2Very high59 Ų5938 Ų3823%0.23118%0.184CC..Hα-helixtrans-53.1-49.6176.5177.2-99.5000111.6K31 S37 S38 I39 L210 R211 V214K31-Y35 PolarHBondContact O-N 3.41Å; Y35-S37 VanDerWaalsContact C-N 3.31Å; Y35-S37 PolarHBondContact O-N 2.67Å; Y35-S38 PolarHBondContact O-N 3.49Å; Y35-I39 HydrophobicContact CD1-CG1 4.25Å; Y35-I39 HydrophobicContact CD2-CG1 4.49Å; Y35-I39 HydrophobicContact CE1-CD1 4.49Å; Y35-I39 HydrophobicContact CE1-CG1 3.79Å; Y35-I39 HydrophobicContact CE2-CD1 4.22Å; Y35-I39 HydrophobicContact CE2-CG1 4.07Å; Y35-I39 WeakPolarHBondContact O-CG1 3.34Å; Y35-I39 PolarHBondContact O-N 3.32Å; Y35-L210 HydrophobicContact CD2-CB 4.22Å; Y35-L210 HydrophobicContact CE2-CB 3.95Å; Y35-R211 HydrophobicContact CE2-CB 4.48Å; Y35-V214 HydrophobicContact CD2-CG2 4.42Å
36N96.5Very high94.8Very high82 Ų8236.9 Ų36.944%0.43917%0.174SC..Hα-helixtrans-63-36.9179-72.5-43.3000112.6D32 A33 Y34 Q40D32-N36 WeakPolarHBondContact O-CB 3.41Å; D32-N36 PolarHBondContact O-N 2.94Å; D32-N36 PolarHBondContact O-ND2 3.02Å; A33-N36 PolarHBondContact O-N 3.45Å; Y34-N36 VanDerWaalsContact C-N 3.32Å; Y34-N36 PolarHBondContact O-N 3.1Å; N36-Q40 WeakPolarHBondContact O-CB 3.5Å; N36-Q40 PolarHBondContact O-N 2.48Å
37S96.6Very high94.3Very high1 Ų135.1 Ų35.11%0.00718%0.175CC..Hα-helixtrans-64.1-45.6173.6-174.90000111.4A33 Y34 Y35 Q40 K41A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.42Å; Y34-S37 WeakPolarHBondContact O-CB 3.33Å; Y34-S37 PolarHBondContact O-N 3.39Å; Y34-S37 VanDerWaalsContact O-N 3.08Å; Y35-S37 VanDerWaalsContact C-N 3.31Å; Y35-S37 PolarHBondContact O-N 2.67Å; S37-Q40 PolarHBondContact O-N 3.4Å; S37-K41 WeakPolarHBondContact O-CB 3.21Å; S37-K41 VanDerWaalsContact O-CG 3.31Å; S37-K41 WeakPolarHBondContact O-CG 3.17Å; S37-K41 PolarHBondContact O-N 3.46Å
38S95.1Very high93.7Very high10 Ų1037.3 Ų37.37%0.0718%0.183CC..Hα-helixtrans-62.9-43.3177.1-59.70000112.9Y34 Y35 Q40 K41 F42Y34-S38 WeakPolarHBondContact CE1-OG 3.44Å; Y34-S38 PolarHBondContact O-N 3.1Å; Y34-S38 PolarHBondContact O-OG 3.11Å; Y35-S38 PolarHBondContact O-N 3.49Å; S38-Q40 VanDerWaalsContact C-N 3.34Å; S38-Q40 PolarHBondContact O-N 2.86Å; S38-K41 WeakPolarHBondContact O-CB 3.47Å; S38-K41 PolarHBondContact O-N 3.2Å; S38-F42 PolarHBondContact O-N 2.83Å; S38-F42 VanDerWaalsContact O-N 3.08Å
39I94.1Very high93Very high42 Ų4232.6 Ų32.622%0.21517%0.165CC..Hα-helixtrans-62.1-43.7174.5-67.3-68.7000110.8Y35 K41 F42 L43 L210Y35-I39 HydrophobicContact CD1-CG1 4.25Å; Y35-I39 HydrophobicContact CD2-CG1 4.49Å; Y35-I39 HydrophobicContact CE1-CD1 4.49Å; Y35-I39 HydrophobicContact CE1-CG1 3.79Å; Y35-I39 HydrophobicContact CE2-CD1 4.22Å; Y35-I39 HydrophobicContact CE2-CG1 4.07Å; Y35-I39 WeakPolarHBondContact O-CG1 3.34Å; Y35-I39 PolarHBondContact O-N 3.32Å; I39-K41 VanDerWaalsContact C-N 3.35Å; I39-K41 PolarHBondContact O-N 3.26Å; I39-F42 WeakPolarHBondContact O-CB 3.47Å; I39-F42 PolarHBondContact O-N 3.47Å; I39-L43 HydrophobicContact CG2-CD1 3.88Å; I39-L43 HydrophobicContact CG2-CG 4.29Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 2.68Å; I39-L210 HydrophobicContact CD1-CD1 3.5Å; I39-L210 VanDerWaalsContact CD1-CD1 3.5Å; I39-L210 HydrophobicContact CG1-CD1 4.27Å
40Q94.6Very high92Very high30 Ų3034.7 Ų34.714%0.1417%0.17CC..Hα-helixtrans-67.2-36.3179.4-176.256.465.100112.3N36 S37 S38 L43 S44 R117 S121N36-Q40 WeakPolarHBondContact O-CB 3.5Å; N36-Q40 PolarHBondContact O-N 2.48Å; S37-Q40 PolarHBondContact O-N 3.4Å; S38-Q40 VanDerWaalsContact C-N 3.34Å; S38-Q40 PolarHBondContact O-N 2.86Å; Q40-L43 PolarHBondContact O-N 3.11Å; Q40-S44 PolarHBondContact NE2-OG 3.37Å; Q40-S44 VanDerWaalsContact O-CB 3.26Å; Q40-S44 WeakPolarHBondContact O-CB 3.42Å; Q40-S44 PolarHBondContact O-N 2.91Å; Q40-S44 PolarHBondContact O-OG 2.71Å; Q40-S44 VanDerWaalsContact O-OG 3.11Å; Q40-R117 HydrophobicContact CG-CB 4.28Å; Q40-S121 WeakPolarHBondContact CB-OG 3.11Å; Q40-S121 WeakPolarHBondContact CG-OG 3.22Å
41K94.5Very high91Very high10 Ų1038.5 Ų38.54%0.04320%0.202CC..Hα-helixtrans-55.3-51.8170.7-78.7173.8-178-176.90110.9S37 S38 I39 L43 S44 L45 Y60 E68 L118 N250S37-K41 WeakPolarHBondContact O-CB 3.21Å; S37-K41 VanDerWaalsContact O-CG 3.31Å; S37-K41 WeakPolarHBondContact O-CG 3.17Å; S37-K41 PolarHBondContact O-N 3.46Å; S38-K41 WeakPolarHBondContact O-CB 3.47Å; S38-K41 PolarHBondContact O-N 3.2Å; I39-K41 VanDerWaalsContact C-N 3.35Å; I39-K41 PolarHBondContact O-N 3.26Å; K41-L43 PolarHBondContact O-N 3Å; K41-S44 PolarHBondContact O-N 2.83Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.45Å; K41-Y60 VanDerWaalsContact C-OH 3.25Å; K41-Y60 WeakPolarHBondContact CA-OH 3.5Å; K41-Y60 WeakPolarHBondContact CB-OH 3.22Å; K41-Y60 PolarHBondContact O-OH 3.32Å; K41-E68 WeakPolarHBondContact CE-OE1 3.21Å; K41-E68 IonicContact NZ-OE1 3.77Å; K41-E68 PolarHBondContact NZ-OE1 3.43Å; K41-L118 HydrophobicContact CB-CD1 4.48Å; K41-L118 HydrophobicContact CG-CD1 3.78Å; K41-N250 PolarHBondContact NZ-O 3.38Å
42F93.2Very high90Very high9 Ų938.8 Ų38.84%0.03921%0.209CC..Hα-helixtrans-57.2-50.7176172.3-99000112.7S38 I39 S44 L45 E46 E176 A179 I180 Y203 L206S38-F42 PolarHBondContact O-N 2.83Å; S38-F42 VanDerWaalsContact O-N 3.08Å; I39-F42 WeakPolarHBondContact O-CB 3.47Å; I39-F42 PolarHBondContact O-N 3.47Å; F42-S44 PolarHBondContact O-N 2.98Å; F42-L45 PolarHBondContact O-N 3.05Å; F42-L45 VanDerWaalsContact O-N 3.08Å; F42-E46 PolarHBondContact O-N 3.43Å; F42-E176 HydrophobicContact CD2-CB 4.38Å; F42-E176 HydrophobicContact CD2-CG 4.14Å; F42-A179 HydrophobicContact CE2-CB 3.77Å; F42-A179 HydrophobicContact CZ-CB 3.8Å; F42-I180 HydrophobicContact CE2-CD1 4.44Å; F42-I180 HydrophobicContact CE2-CG1 3.92Å; F42-Y203 HydrophobicContact CE1-CD1 4.08Å; F42-Y203 AromaticContact CE1-CE1 3.86Å; F42-Y203 HydrophobicContact CE1-CE1 3.86Å; F42-Y203 AromaticContact CZ-CD1 3.84Å; F42-Y203 HydrophobicContact CZ-CD1 3.84Å; F42-Y203 AromaticContact CZ-CE1 3.49Å; F42-Y203 HydrophobicContact CZ-CE1 3.49Å; F42-Y203 VanDerWaalsContact CZ-CE1 3.49Å; F42-L206 HydrophobicContact CD1-CD2 4.19Å; F42-L206 HydrophobicContact CD2-CD2 3.53Å; F42-L206 HydrophobicContact CE1-CD2 4.26Å; F42-L206 HydrophobicContact CE2-CD2 3.59Å; F42-L206 HydrophobicContact CG-CD2 3.84Å; F42-L206 HydrophobicContact CZ-CD2 3.98Å
43L91.5Very high88.7Confident81 Ų8141.8 Ų41.842%0.42423%0.233SC..Hα-helixtrans-63.8-26.6179.3-68.2176000113.2I39 Q40 K41 P47I39-L43 HydrophobicContact CG2-CD1 3.88Å; I39-L43 HydrophobicContact CG2-CG 4.29Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 2.68Å; Q40-L43 PolarHBondContact O-N 3.11Å; K41-L43 PolarHBondContact O-N 3Å; L43-P47 WeakPolarHBondContact O-CD 3.47Å
44S91.1Very high87.7Confident20 Ų2045.8 Ų45.814%0.1426%0.258CS..Hα-helixtrans-79-34.3173.8-74.30000111.8Q40 K41 F42 Y48Q40-S44 PolarHBondContact NE2-OG 3.37Å; Q40-S44 VanDerWaalsContact O-CB 3.26Å; Q40-S44 WeakPolarHBondContact O-CB 3.42Å; Q40-S44 PolarHBondContact O-N 2.91Å; Q40-S44 PolarHBondContact O-OG 2.71Å; Q40-S44 VanDerWaalsContact O-OG 3.11Å; K41-S44 PolarHBondContact O-N 2.83Å; F42-S44 PolarHBondContact O-N 2.98Å; S44-Y48 WeakPolarHBondContact O-CD2 3.42Å
45L90.8Very high87.1Confident13 Ų1351.8 Ų51.87%0.06828%0.28CS..Hα-helixtrans-73.3-42.1178.5173.656.9000113K41 F42 Y48 T49 P57 Y60 I180K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.45Å; F42-L45 PolarHBondContact O-N 3.05Å; F42-L45 VanDerWaalsContact O-N 3.08Å; L45-Y48 WeakPolarHBondContact O-CB 3.24Å; L45-Y48 PolarHBondContact O-N 3.14Å; L45-T49 HydrophobicContact CD1-CG2 3.76Å; L45-T49 HydrophobicContact CG-CG2 4.05Å; L45-T49 WeakPolarHBondContact O-CG2 3.29Å; L45-T49 PolarHBondContact O-N 3.07Å; L45-P57 HydrophobicContact CD1-CB 4.13Å; L45-Y60 HydrophobicContact CB-CD1 3.86Å; L45-Y60 HydrophobicContact CB-CD2 4.31Å; L45-Y60 HydrophobicContact CB-CE1 3.66Å; L45-Y60 HydrophobicContact CB-CE2 4.15Å; L45-Y60 HydrophobicContact CB-CG 4.17Å; L45-Y60 HydrophobicContact CD1-CD1 3.49Å; L45-Y60 VanDerWaalsContact CD1-CD1 3.49Å; L45-Y60 HydrophobicContact CD1-CE1 4.02Å; L45-Y60 HydrophobicContact CD1-CG 4Å; L45-Y60 HydrophobicContact CD2-CD1 4.48Å; L45-Y60 HydrophobicContact CD2-CE1 4.2Å; L45-Y60 HydrophobicContact CG-CD1 4.11Å; L45-Y60 HydrophobicContact CG-CE1 4.16Å; L45-I180 HydrophobicContact CD2-CD1 3.56Å; L45-I180 HydrophobicContact CG-CD1 3.78Å
46E88.1Confident86.4Confident37 Ų3749.5 Ų49.517%0.17327%0.273CS..Hα-helixtrans-52-49.1-172.9177.5-113.3174.300113F42 Y48 T49 R50 A183 Y203F42-E46 PolarHBondContact O-N 3.43Å; E46-Y48 VanDerWaalsContact C-N 3.34Å; E46-Y48 PolarHBondContact O-N 3.35Å; E46-T49 PolarHBondContact O-N 3.46Å; E46-T49 PolarHBondContact O-OG1 3.45Å; E46-R50 PolarHBondContact O-N 2.83Å; E46-A183 HydrophobicContact CG-CB 4.09Å; E46-Y203 PolarHBondContact OE1-OH 3.45Å
47P84.7Confident85.9Confident55 Ų5547 Ų4736%0.35726%0.262SS..Hα-helixtrans-62.5-33.8177.1-24.434.9000114.7L43 T49 R50 A51L43-P47 WeakPolarHBondContact O-CD 3.47Å; P47-T49 VanDerWaalsContact C-N 3.33Å; P47-R50 PolarHBondContact O-N 3.06Å; P47-A51 PolarHBondContact O-N 2.92Å
48Y82.6Confident85.6Confident46 Ų4651.8 Ų51.818%0.1828%0.284CS..Hα-helixtrans-64.3-42177.7-82.5-94.5000110.7S44 L45 E46 R50 A51 S52 A56 I59 Y60 R111 R112S44-Y48 WeakPolarHBondContact O-CD2 3.42Å; L45-Y48 WeakPolarHBondContact O-CB 3.24Å; L45-Y48 PolarHBondContact O-N 3.14Å; E46-Y48 VanDerWaalsContact C-N 3.34Å; E46-Y48 PolarHBondContact O-N 3.35Å; Y48-R50 PolarHBondContact O-N 2.8Å; Y48-A51 PolarHBondContact O-N 3.35Å; Y48-A51 VanDerWaalsContact O-N 3.1Å; Y48-S52 PolarHBondContact O-N 3.07Å; Y48-A56 HydrophobicContact CD1-CB 3.8Å; Y48-A56 WeakPolarHBondContact CD1-O 3.22Å; Y48-A56 HydrophobicContact CG-CB 4.32Å; Y48-A56 WeakPolarHBondContact O-CB 3.49Å; Y48-I59 HydrophobicContact CE1-CB 4.37Å; Y48-I59 HydrophobicContact CE1-CG2 4.01Å; Y48-Y60 HydrophobicContact CD2-CD2 4.46Å; Y48-R111 PolarHBondContact OH-O 2.93Å; Y48-R112 WeakPolarHBondContact OH-CA 3.43Å; Y48-R112 PolarHBondContact OH-O 3.31Å
49T80.1Confident85.3Confident20 Ų2053.2 Ų53.212%0.12329%0.29CS..Hα-helixtrans-64-28.2-178.8710000112.5L45 E46 P47 S52 P57 I180 N184L45-T49 HydrophobicContact CD1-CG2 3.76Å; L45-T49 HydrophobicContact CG-CG2 4.05Å; L45-T49 WeakPolarHBondContact O-CG2 3.29Å; L45-T49 PolarHBondContact O-N 3.07Å; E46-T49 PolarHBondContact O-N 3.46Å; E46-T49 PolarHBondContact O-OG1 3.45Å; P47-T49 VanDerWaalsContact C-N 3.33Å; T49-S52 CarbonylContact O-C 3.57Å; T49-P57 HydrophobicContact CG2-CG 3.85Å; T49-I180 HydrophobicContact CG2-CD1 4.13Å; T49-I180 HydrophobicContact CG2-CG1 4.45Å; T49-I180 HydrophobicContact CG2-CG2 3.71Å; T49-I180 VanDerWaalsContact OG1-CG2 3.25Å; T49-I180 WeakPolarHBondContact OG1-CG2 3.49Å; T49-N184 PolarHBondContact OG1-ND2 3Å
50R77.8Confident85.2Confident117 Ų11751.3 Ų51.344%0.44228%0.28SS..Hα-helixtrans-72.9-35.6175.4-169.1177177-168.7-0.8112.7E46 P47 Y48 N184E46-R50 PolarHBondContact O-N 2.83Å; P47-R50 PolarHBondContact O-N 3.06Å; Y48-R50 PolarHBondContact O-N 2.8Å; R50-N184 WeakPolarHBondContact CB-OD1 3.04Å
51A75.4Confident85.1Confident85 Ų8553.1 Ų53.170%0.70229%0.289SS*.Hα-helixtrans-73.9-34.6-178.700000112.6P47 Y48 A56P47-A51 PolarHBondContact O-N 2.92Å; Y48-A51 PolarHBondContact O-N 3.35Å; Y48-A51 VanDerWaalsContact O-N 3.1Å; A51-A56 HydrophobicContact CB-CB 4.42Å
52S75.2Confident85Confident42 Ų4256.7 Ų56.729%0.29431%0.306SS..  trans-160.8140.1175.6174.10000109.5Y48 T49 T54 R55 P57Y48-S52 PolarHBondContact O-N 3.07Å; T49-S52 CarbonylContact O-C 3.57Å; S52-T54 VanDerWaalsContact C-N 3.25Å; S52-T54 PolarHBondContact O-N 3.05Å; S52-T54 PolarHBondContact OG-N 3.08Å; S52-R55 PolarHBondContact OG-N 3.22Å; S52-P57 WeakPolarHBondContact O-CD 3.38Å
53S70.3Confident85.1Confident107 Ų10756.3 Ų56.375%0.74830%0.304SS*.SBendtrans-70.7-17.8179.455.10000114.2
54T76.4Confident85.3Confident88 Ų8852.5 Ų52.554%0.5428%0.284SS..SBendtrans-127.1-57.5-172.155.70000113S52 Q58S52-T54 VanDerWaalsContact C-N 3.25Å; S52-T54 PolarHBondContact O-N 3.05Å; S52-T54 PolarHBondContact OG-N 3.08Å; T54-Q58 WeakPolarHBondContact O-CG 3.46Å; T54-Q58 PolarHBondContact O-N 3.41Å
55R83.7Confident85.6Confident133 Ų13354.2 Ų54.250%0.50229%0.291SS..Hα-helixtrans-71.7-38.7-170.5-175.256.4176.2162.53.5112.7S52 Q58 I59S52-R55 PolarHBondContact OG-N 3.22Å; R55-Q58 PolarHBondContact O-N 2.96Å; R55-I59 HydrophobicContact CG-CD1 4.05Å; R55-I59 WeakPolarHBondContact O-CG1 3.46Å; R55-I59 PolarHBondContact O-N 3.29Å; R55-I59 VanDerWaalsContact O-N 3.15Å
56A82.2Confident85.8Confident11 Ų1155.9 Ų55.99%0.09130%0.297CS..Hα-helixtrans-69.8-46.7-176.300000112.3Y48 A51 Q58 I59 Y60Y48-A56 HydrophobicContact CD1-CB 3.8Å; Y48-A56 WeakPolarHBondContact CD1-O 3.22Å; Y48-A56 HydrophobicContact CG-CB 4.32Å; Y48-A56 WeakPolarHBondContact O-CB 3.49Å; A51-A56 HydrophobicContact CB-CB 4.42Å; A56-Q58 VanDerWaalsContact C-N 3.28Å; A56-Q58 PolarHBondContact O-N 3.43Å; A56-I59 PolarHBondContact O-N 3.48Å; A56-I59 VanDerWaalsContact O-N 3.15Å; A56-Y60 PolarHBondContact O-N 3.01Å
57P85.8Confident86.2Confident31 Ų3154.1 Ų54.120%0.20129%0.288CS..Hα-helixtrans-56.7-38172.1-28.935.2000113.8L45 T49 S52 Y60 H61L45-P57 HydrophobicContact CD1-CB 4.13Å; T49-P57 HydrophobicContact CG2-CG 3.85Å; S52-P57 WeakPolarHBondContact O-CD 3.38Å; P57-Y60 PolarHBondContact O-N 3.31Å; P57-H61 WeakPolarHBondContact O-CB 3.39Å; P57-H61 PolarHBondContact O-N 3.18Å
58Q89.4Confident86.9Confident101 Ų10151.5 Ų51.547%0.47227%0.271SS..Hα-helixtrans-62.6-44.1175.3-72.3172.4-4.600112.3T54 R55 A56 Y60 H61 E62T54-Q58 WeakPolarHBondContact O-CG 3.46Å; T54-Q58 PolarHBondContact O-N 3.41Å; R55-Q58 PolarHBondContact O-N 2.96Å; A56-Q58 VanDerWaalsContact C-N 3.28Å; A56-Q58 PolarHBondContact O-N 3.43Å; Q58-Y60 VanDerWaalsContact C-N 3.3Å; Q58-Y60 PolarHBondContact O-N 2.95Å; Q58-H61 PolarHBondContact O-N 3.34Å; Q58-E62 WeakPolarHBondContact O-CG 3.46Å; Q58-E62 PolarHBondContact O-N 3.05Å
59I89.5Confident87.6Confident39 Ų3952.7 Ų52.720%0.228%0.278CS..Hα-helixtrans-61.8-41.5177.1-68.8165.1000110.7Y48 R55 A56 E63 R112Y48-I59 HydrophobicContact CE1-CB 4.37Å; Y48-I59 HydrophobicContact CE1-CG2 4.01Å; R55-I59 HydrophobicContact CG-CD1 4.05Å; R55-I59 WeakPolarHBondContact O-CG1 3.46Å; R55-I59 PolarHBondContact O-N 3.29Å; R55-I59 VanDerWaalsContact O-N 3.15Å; A56-I59 PolarHBondContact O-N 3.48Å; A56-I59 VanDerWaalsContact O-N 3.15Å; I59-E63 WeakPolarHBondContact O-CB 3.31Å; I59-E63 PolarHBondContact O-N 3.41Å; I59-E63 VanDerWaalsContact O-N 3.07Å; I59-R112 HydrophobicContact CG2-CG 4.01Å
60Y91.7Very high88.4Confident2 Ų252.3 Ų52.31%0.00828%0.275CS..Hα-helixtrans-61.6-46.9173.8163.6-90.6000111.7K41 L45 Y48 A56 P57 Q58 E62 E63 C64 L118K41-Y60 VanDerWaalsContact C-OH 3.25Å; K41-Y60 WeakPolarHBondContact CA-OH 3.5Å; K41-Y60 WeakPolarHBondContact CB-OH 3.22Å; K41-Y60 PolarHBondContact O-OH 3.32Å; L45-Y60 HydrophobicContact CB-CD1 3.86Å; L45-Y60 HydrophobicContact CB-CD2 4.31Å; L45-Y60 HydrophobicContact CB-CE1 3.66Å; L45-Y60 HydrophobicContact CB-CE2 4.15Å; L45-Y60 HydrophobicContact CB-CG 4.17Å; L45-Y60 HydrophobicContact CD1-CD1 3.49Å; L45-Y60 VanDerWaalsContact CD1-CD1 3.49Å; L45-Y60 HydrophobicContact CD1-CE1 4.02Å; L45-Y60 HydrophobicContact CD1-CG 4Å; L45-Y60 HydrophobicContact CD2-CD1 4.48Å; L45-Y60 HydrophobicContact CD2-CE1 4.2Å; L45-Y60 HydrophobicContact CG-CD1 4.11Å; L45-Y60 HydrophobicContact CG-CE1 4.16Å; Y48-Y60 HydrophobicContact CD2-CD2 4.46Å; A56-Y60 PolarHBondContact O-N 3.01Å; P57-Y60 PolarHBondContact O-N 3.31Å; Q58-Y60 VanDerWaalsContact C-N 3.3Å; Q58-Y60 PolarHBondContact O-N 2.95Å; Y60-E62 PolarHBondContact O-N 3.2Å; Y60-E63 PolarHBondContact O-N 2.98Å; Y60-E63 VanDerWaalsContact O-N 3.1Å; Y60-C64 HydrophobicContact CE1-CB 4.34Å; Y60-C64 PolarHBondContact O-N 2.79Å; Y60-L118 HydrophobicContact CD2-CD2 4.47Å; Y60-L118 HydrophobicContact CE2-CD2 3.92Å
61H92.8Very high89.4Confident68 Ų6848.2 Ų48.232%0.31526%0.259SS..Hα-helixtrans-60.2-46.5-179.1-177.379.8000111.6P57 Q58 E63 C64 L65 C251 S252P57-H61 WeakPolarHBondContact O-CB 3.39Å; P57-H61 PolarHBondContact O-N 3.18Å; Q58-H61 PolarHBondContact O-N 3.34Å; H61-E63 VanDerWaalsContact C-N 3.29Å; H61-E63 PolarHBondContact O-N 3.43Å; H61-C64 PolarHBondContact O-N 3.45Å; H61-L65 VanDerWaalsContact NE2-CD1 3.32Å; H61-L65 WeakPolarHBondContact NE2-CD1 3.27Å; H61-L65 WeakPolarHBondContact O-CG 3.4Å; H61-L65 PolarHBondContact O-N 2.83Å; H61-C251 PolarHBondContact CE1-O 3.47Å; H61-S252 PolarHBondContact ND1-O 3.15Å
62E93.6Very high90.5Very high85 Ų8544.1 Ų44.140%0.39723%0.226SC..Hα-helixtrans-55.7-44.5172.9-72.6171.8-16500111.5Q58 Y60 R66 R112Q58-E62 WeakPolarHBondContact O-CG 3.46Å; Q58-E62 PolarHBondContact O-N 3.05Å; Y60-E62 PolarHBondContact O-N 3.2Å; E62-R66 VanDerWaalsContact O-CB 3.26Å; E62-R66 WeakPolarHBondContact O-CB 3.05Å; E62-R66 PolarHBondContact O-N 3.32Å; E62-R112 IonicContact OE2-CZ 2.71Å; E62-R112 IonicContact OE2-NH1 3.15Å; E62-R112 PolarHBondContact OE2-NH1 2.71Å; E62-R112 IonicContact OE2-NH2 3.33Å
63E94.7Very high91.5Very high2 Ų242.1 Ų42.11%0.00921%0.212CC..Hα-helixtrans-68.6-41.7-179.6-175.865.7-178.800112.6I59 Y60 H61 R66 L67 R112I59-E63 WeakPolarHBondContact O-CB 3.31Å; I59-E63 PolarHBondContact O-N 3.41Å; I59-E63 VanDerWaalsContact O-N 3.07Å; Y60-E63 PolarHBondContact O-N 2.98Å; Y60-E63 VanDerWaalsContact O-N 3.1Å; H61-E63 VanDerWaalsContact C-N 3.29Å; H61-E63 PolarHBondContact O-N 3.43Å; E63-R66 PolarHBondContact O-N 2.76Å; E63-R66 IonicContact OE1-CZ 2.75Å; E63-R66 IonicContact OE1-NE 2.91Å; E63-R66 IonicContact OE1-NH2 4Å; E63-R66 PolarHBondContact OE1-NH2 3.49Å; E63-R66 IonicContact OE2-CZ 2.97Å; E63-R66 IonicContact OE2-NE 2.85Å; E63-R66 PolarHBondContact OE2-NE 2.73Å; E63-R66 IonicContact OE2-NH2 3.54Å; E63-R66 PolarHBondContact OE2-NH2 2.86Å; E63-L67 HydrophobicContact CG-CD1 4.18Å; E63-L67 WeakPolarHBondContact O-CG 3.26Å; E63-L67 PolarHBondContact O-N 2.94Å; E63-R112 HydrophobicContact CB-CB 4.11Å; E63-R112 VanDerWaalsContact CD-CB 3.5Å; E63-R112 HydrophobicContact CG-CB 3.72Å
64C95.7Very high92.9Very high0 Ų041.9 Ų41.90%020%0.197CC..Hα-helixtrans-58.9-50.1175.4-179.10000110.7Y60 H61 R66 L67 E68 L118 C251Y60-C64 HydrophobicContact CE1-CB 4.34Å; Y60-C64 PolarHBondContact O-N 2.79Å; H61-C64 PolarHBondContact O-N 3.45Å; C64-R66 VanDerWaalsContact C-N 3.34Å; C64-R66 PolarHBondContact O-N 2.89Å; C64-L67 PolarHBondContact O-N 2.64Å; C64-E68 WeakPolarHBondContact O-CB 3.31Å; C64-E68 WeakPolarHBondContact O-CG 3.41Å; C64-E68 PolarHBondContact O-N 3.45Å; C64-L118 HydrophobicContact CB-CD2 4.47Å; C64-C251 HydrophobicContact CB-CB 3.73Å; C64-C251 WeakPolarHBondContact CB-SG 3.35Å; C64-C251 WeakPolarHBondContact SG-CB 3.46Å; C64-C251 CovalentContact SG-SG 2.04Å; C64-C251 PolarHBondContact SG-SG 2.93Å
65L96.4Very high93.9Very high57 Ų5738 Ų3830%0.29817%0.173SC..Hα-helixtrans-63.1-40.2178.4-73.3-179.5000112.1H61 L67 E68 K69 C251H61-L65 VanDerWaalsContact NE2-CD1 3.32Å; H61-L65 WeakPolarHBondContact NE2-CD1 3.27Å; H61-L65 WeakPolarHBondContact O-CG 3.4Å; H61-L65 PolarHBondContact O-N 2.83Å; L65-L67 PolarHBondContact O-N 3.43Å; L65-E68 PolarHBondContact O-N 2.87Å; L65-K69 VanDerWaalsContact O-CB 3.25Å; L65-K69 WeakPolarHBondContact O-CB 3.19Å; L65-K69 PolarHBondContact O-N 3.01Å; L65-C251 HydrophobicContact CD2-CB 3.84Å; L65-C251 HydrophobicContact CG-CB 4.07Å; L65-C251 PolarHBondContact N-SG 2.71Å
66R96Very high94.5Very high47 Ų4731.6 Ų31.618%0.17715%0.149CC..Hα-helixtrans-60.4-45.9177.4-169.5-167.766.469.6-5.5111.5E62 E63 C64 L70 D105E62-R66 VanDerWaalsContact O-CB 3.26Å; E62-R66 WeakPolarHBondContact O-CB 3.05Å; E62-R66 PolarHBondContact O-N 3.32Å; E63-R66 PolarHBondContact O-N 2.76Å; E63-R66 IonicContact OE1-CZ 2.75Å; E63-R66 IonicContact OE1-NE 2.91Å; E63-R66 IonicContact OE1-NH2 4Å; E63-R66 PolarHBondContact OE1-NH2 3.49Å; E63-R66 IonicContact OE2-CZ 2.97Å; E63-R66 IonicContact OE2-NE 2.85Å; E63-R66 PolarHBondContact OE2-NE 2.73Å; E63-R66 IonicContact OE2-NH2 3.54Å; E63-R66 PolarHBondContact OE2-NH2 2.86Å; C64-R66 VanDerWaalsContact C-N 3.34Å; C64-R66 PolarHBondContact O-N 2.89Å; R66-L70 PolarHBondContact O-N 3.27Å; R66-D105 IonicContact CZ-OD1 3.86Å; R66-D105 VanDerWaalsContact NH1-CA 3.3Å; R66-D105 IonicContact NH1-OD1 2.79Å; R66-D105 PolarHBondContact NH1-OD1 2.96Å; R66-D105 IonicContact NH2-OD1 2.93Å; R66-D105 PolarHBondContact NH2-OD1 3.17Å
67L97.1Very high95.2Very high0 Ų032.2 Ų32.20%015%0.151CC..Hα-helixtrans-69.4-43.9178.3-70.7172.2000112.1E63 C64 L65 K69 L70 Y71 L118 R119 I122E63-L67 HydrophobicContact CG-CD1 4.18Å; E63-L67 WeakPolarHBondContact O-CG 3.26Å; E63-L67 PolarHBondContact O-N 2.94Å; C64-L67 PolarHBondContact O-N 2.64Å; L65-L67 PolarHBondContact O-N 3.43Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.07Å; L67-L70 PolarHBondContact O-N 3.5Å; L67-Y71 HydrophobicContact CD2-CE2 4.5Å; L67-Y71 WeakPolarHBondContact O-CD2 3.37Å; L67-Y71 PolarHBondContact O-N 3.16Å; L67-Y71 VanDerWaalsContact O-N 3.15Å; L67-L118 HydrophobicContact CD1-CB 4.27Å; L67-L118 HydrophobicContact CD1-CD2 3.94Å; L67-L118 HydrophobicContact CD1-CG 3.88Å; L67-R119 HydrophobicContact CD1-CB 4.07Å; L67-R119 HydrophobicContact CD2-CB 3.97Å; L67-R119 HydrophobicContact CD2-CG 4.06Å; L67-I122 HydrophobicContact CB-CD1 3.73Å; L67-I122 HydrophobicContact CD1-CD1 4.36Å
68E97.9Very high95.7Very high0 Ų034.1 Ų34.10%016%0.157CC..Hα-helixtrans-58-46.6174.2-76.2-73.4-172.500111K41 C64 L65 L70 Y71 F72 I122 K125 W126 S248K41-E68 WeakPolarHBondContact CE-OE1 3.21Å; K41-E68 IonicContact NZ-OE1 3.77Å; K41-E68 PolarHBondContact NZ-OE1 3.43Å; C64-E68 WeakPolarHBondContact O-CB 3.31Å; C64-E68 WeakPolarHBondContact O-CG 3.41Å; C64-E68 PolarHBondContact O-N 3.45Å; L65-E68 PolarHBondContact O-N 2.87Å; E68-L70 PolarHBondContact O-N 2.84Å; E68-Y71 PolarHBondContact O-N 3.35Å; E68-F72 WeakPolarHBondContact O-CB 3.1Å; E68-F72 PolarHBondContact O-N 3.26Å; E68-I122 HydrophobicContact CG-CD1 4.17Å; E68-I122 HydrophobicContact CG-CG2 4.35Å; E68-K125 IonicContact OE1-NZ 3.24Å; E68-K125 PolarHBondContact OE1-NZ 3.4Å; E68-K125 WeakPolarHBondContact OE2-CE 3.39Å; E68-K125 IonicContact OE2-NZ 3.26Å; E68-K125 PolarHBondContact OE2-NZ 3.46Å; E68-W126 PolarHBondContact OE2-NE1 3.34Å; E68-S248 WeakPolarHBondContact CB-O 3.14Å
69K97.3Very high96Very high72 Ų7229.6 Ų29.631%0.31314%0.136SC..Hα-helixtrans-59.7-43.8177.8-172.370.1-179.5-178.80112.1L65 L67 T73 E97 A101L65-K69 VanDerWaalsContact O-CB 3.25Å; L65-K69 WeakPolarHBondContact O-CB 3.19Å; L65-K69 PolarHBondContact O-N 3.01Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.07Å; K69-T73 HydrophobicContact CD-CG2 3.99Å; K69-T73 HydrophobicContact CG-CG2 4.26Å; K69-T73 WeakPolarHBondContact O-CB 3.35Å; K69-T73 VanDerWaalsContact O-CG2 3.27Å; K69-T73 WeakPolarHBondContact O-CG2 3.41Å; K69-T73 PolarHBondContact O-N 2.92Å; K69-T73 PolarHBondContact O-OG1 3.17Å; K69-E97 VanDerWaalsContact CE-OE2 3.25Å; K69-E97 WeakPolarHBondContact CE-OE2 3.47Å; K69-E97 IonicContact NZ-OE2 3.99Å; K69-E97 PolarHBondContact NZ-OE2 3.04Å; K69-A101 HydrophobicContact CG-CB 4.49Å
70L97.8Very high96.2Very high11 Ų1127.7 Ų27.76%0.05813%0.126CC..Hα-helixtrans-58.3-50.4178.417566.6000111.9R66 L67 E68 T73 K74 Y98 A101 K102 D105R66-L70 PolarHBondContact O-N 3.27Å; L67-L70 PolarHBondContact O-N 3.5Å; E68-L70 PolarHBondContact O-N 2.84Å; L70-T73 PolarHBondContact O-OG1 2.96Å; L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.34Å; L70-K74 VanDerWaalsContact O-N 3.15Å; L70-Y98 HydrophobicContact CD1-CD2 4.41Å; L70-Y98 HydrophobicContact CD1-CE2 4.01Å; L70-A101 HydrophobicContact CB-CB 4.27Å; L70-A101 HydrophobicContact CD1-CB 4.07Å; L70-K102 HydrophobicContact CD1-CG 4.07Å; L70-D105 HydrophobicContact CD1-CB 4.43Å; L70-D105 HydrophobicContact CD2-CB 3.89Å
71Y98.3Very high96.3Very high31 Ų3130.9 Ų30.912%0.12215%0.149CC..Hα-helixtrans-78.7-31.9-176.1-71.1-69.2000113L67 E68 W75 R119 I122 S123L67-Y71 HydrophobicContact CD2-CE2 4.5Å; L67-Y71 WeakPolarHBondContact O-CD2 3.37Å; L67-Y71 PolarHBondContact O-N 3.16Å; L67-Y71 VanDerWaalsContact O-N 3.15Å; E68-Y71 PolarHBondContact O-N 3.35Å; Y71-W75 VanDerWaalsContact O-CB 3.29Å; Y71-W75 WeakPolarHBondContact O-CB 3.3Å; Y71-W75 PolarHBondContact O-N 3.23Å; Y71-R119 HydrophobicContact CE2-CG 3.91Å; Y71-R119 WeakPolarHBondContact OH-CG 3.46Å; Y71-I122 HydrophobicContact CD2-CB 4.34Å; Y71-I122 HydrophobicContact CD2-CG2 3.66Å; Y71-I122 HydrophobicContact CE2-CG2 4.48Å; Y71-I122 HydrophobicContact CG-CG2 4.33Å; Y71-S123 VanDerWaalsContact CE1-CB 3.49Å; Y71-S123 VanDerWaalsContact CE1-OG 3.29Å; Y71-S123 WeakPolarHBondContact CE1-OG 3.5Å
72F98.1Very high96.3Very high0 Ų033.1 Ų33.10%016%0.157CC..Hα-helixtrans-62.3-52.1171.5167-116.3000111.8E68 K74 W75 A76 Y94 W126 M244 D245E68-F72 WeakPolarHBondContact O-CB 3.1Å; E68-F72 PolarHBondContact O-N 3.26Å; F72-K74 VanDerWaalsContact C-N 3.33Å; F72-K74 PolarHBondContact O-N 2.97Å; F72-W75 AromaticContact CD2-CE3 3.8Å; F72-W75 HydrophobicContact CD2-CE3 3.8Å; F72-W75 HydrophobicContact CD2-CZ3 4.11Å; F72-W75 AromaticContact CE2-CE3 3.87Å; F72-W75 HydrophobicContact CE2-CE3 3.87Å; F72-W75 AromaticContact CE2-CZ3 3.72Å; F72-W75 HydrophobicContact CE2-CZ3 3.72Å; F72-W75 CarbonylContact O-C 3.6Å; F72-W75 WeakPolarHBondContact O-CB 3.3Å; F72-W75 PolarHBondContact O-N 3.36Å; F72-W75 VanDerWaalsContact O-N 3.11Å; F72-A76 HydrophobicContact CE2-CB 4.47Å; F72-A76 WeakPolarHBondContact O-CB 2.99Å; F72-A76 PolarHBondContact O-N 3.26Å; F72-Y94 HydrophobicContact CE1-CD1 4.5Å; F72-Y94 AromaticContact CE1-CE1 3.68Å; F72-Y94 HydrophobicContact CE1-CE1 3.68Å; F72-Y94 AromaticContact CZ-CE1 3.78Å; F72-Y94 HydrophobicContact CZ-CE1 3.78Å; F72-W126 HydrophobicContact CB-CH2 3.88Å; F72-W126 HydrophobicContact CB-CZ2 3.62Å; F72-W126 HydrophobicContact CB-CZ3 4.43Å; F72-W126 AromaticContact CD2-CH2 3.47Å; F72-W126 HydrophobicContact CD2-CH2 3.47Å; F72-W126 VanDerWaalsContact CD2-CH2 3.47Å; F72-W126 HydrophobicContact CD2-CZ2 4.11Å; F72-W126 AromaticContact CD2-CZ3 3.84Å; F72-W126 HydrophobicContact CD2-CZ3 3.84Å; F72-W126 HydrophobicContact CE2-CH2 4.45Å; F72-W126 HydrophobicContact CG-CH2 4.08Å; F72-W126 HydrophobicContact CG-CZ2 4.27Å; F72-M244 HydrophobicContact CD2-CB 4.31Å; F72-M244 HydrophobicContact CE2-CB 3.91Å; F72-D245 HydrophobicContact CE1-CB 4.27Å; F72-D245 VanDerWaalsContact CE1-OD1 3.24Å; F72-D245 WeakPolarHBondContact CE1-OD1 3.36Å; F72-D245 HydrophobicContact CE2-CB 4.22Å; F72-D245 VanDerWaalsContact CZ-CA 3.48Å; F72-D245 HydrophobicContact CZ-CB 3.62Å; F72-D245 WeakPolarHBondContact CZ-OD1 3.45Å
73T97.9Very high95.9Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-65.1-38.6-178.752.10000111.3K69 L70 W75 A76 V77 E97 Y98K69-T73 HydrophobicContact CD-CG2 3.99Å; K69-T73 HydrophobicContact CG-CG2 4.26Å; K69-T73 WeakPolarHBondContact O-CB 3.35Å; K69-T73 VanDerWaalsContact O-CG2 3.27Å; K69-T73 WeakPolarHBondContact O-CG2 3.41Å; K69-T73 PolarHBondContact O-N 2.92Å; K69-T73 PolarHBondContact O-OG1 3.17Å; L70-T73 PolarHBondContact O-OG1 2.96Å; T73-W75 VanDerWaalsContact C-N 3.34Å; T73-W75 PolarHBondContact O-N 2.89Å; T73-A76 PolarHBondContact O-N 3.04Å; T73-V77 WeakPolarHBondContact O-CG2 3.47Å; T73-V77 PolarHBondContact O-N 3.37Å; T73-E97 HydrophobicContact CG2-CB 3.79Å; T73-Y98 WeakPolarHBondContact OG1-CA 3.41Å
74K98Very high95Very high102 Ų10232.5 Ų32.544%0.44317%0.169SC..Hα-helixtrans-55.1-49169.5-173.8175.5179.6176.40112.3L70 F72 H78 Y98L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.34Å; L70-K74 VanDerWaalsContact O-N 3.15Å; F72-K74 VanDerWaalsContact C-N 3.33Å; F72-K74 PolarHBondContact O-N 2.97Å; K74-H78 PolarHBondContact O-N 3.48Å; K74-Y98 HydrophobicContact CB-CD2 3.87Å; K74-Y98 HydrophobicContact CB-CE2 3.41Å; K74-Y98 VanDerWaalsContact CB-CE2 3.41Å; K74-Y98 HydrophobicContact CD-CE2 4.27Å; K74-Y98 HydrophobicContact CG-CE1 4.45Å; K74-Y98 HydrophobicContact CG-CE2 3.87Å
75W98.1Very high94Very high5 Ų533.3 Ų33.32%0.01918%0.176CC..Hα-helixtrans-63-45178165.186.1000111.3Y71 F72 T73 V77 H78 Y79 W126 R129 D133 I240 I241 M244Y71-W75 VanDerWaalsContact O-CB 3.29Å; Y71-W75 WeakPolarHBondContact O-CB 3.3Å; Y71-W75 PolarHBondContact O-N 3.23Å; F72-W75 AromaticContact CD2-CE3 3.8Å; F72-W75 HydrophobicContact CD2-CE3 3.8Å; F72-W75 HydrophobicContact CD2-CZ3 4.11Å; F72-W75 AromaticContact CE2-CE3 3.87Å; F72-W75 HydrophobicContact CE2-CE3 3.87Å; F72-W75 AromaticContact CE2-CZ3 3.72Å; F72-W75 HydrophobicContact CE2-CZ3 3.72Å; F72-W75 CarbonylContact O-C 3.6Å; F72-W75 WeakPolarHBondContact O-CB 3.3Å; F72-W75 PolarHBondContact O-N 3.36Å; F72-W75 VanDerWaalsContact O-N 3.11Å; T73-W75 VanDerWaalsContact C-N 3.34Å; T73-W75 PolarHBondContact O-N 2.89Å; W75-V77 PolarHBondContact O-N 2.94Å; W75-H78 PolarHBondContact O-N 2.71Å; W75-Y79 HydrophobicContact CH2-CG 4.31Å; W75-Y79 HydrophobicContact CZ2-CD2 4.02Å; W75-Y79 AromaticContact CZ2-CG 3.96Å; W75-Y79 HydrophobicContact CZ2-CG 3.96Å; W75-Y79 WeakPolarHBondContact O-CB 3.27Å; W75-Y79 PolarHBondContact O-N 3.12Å; W75-W126 HydrophobicContact CB-CE3 3.87Å; W75-W126 HydrophobicContact CB-CZ3 4.47Å; W75-W126 HydrophobicContact CD2-CE3 4.09Å; W75-W126 AromaticContact CD2-CZ3 3.94Å; W75-W126 HydrophobicContact CD2-CZ3 3.94Å; W75-W126 HydrophobicContact CE3-CE3 4.44Å; W75-W126 AromaticContact CE3-CZ3 3.93Å; W75-W126 HydrophobicContact CE3-CZ3 3.93Å; W75-W126 AromaticContact CG-CE3 3.8Å; W75-W126 HydrophobicContact CG-CE3 3.8Å; W75-W126 HydrophobicContact CG-CZ3 4.16Å; W75-R129 HydrophobicContact CZ2-CG 4.39Å; W75-D133 PolarHBondContact NE1-OD2 3.5Å; W75-I240 HydrophobicContact CH2-CG2 3.86Å; W75-I240 HydrophobicContact CZ2-CG2 3.97Å; W75-I241 HydrophobicContact CH2-CD1 3.89Å; W75-I241 HydrophobicContact CZ3-CD1 3.79Å; W75-M244 HydrophobicContact CE3-CB 4.21Å; W75-M244 HydrophobicContact CH2-CB 3.58Å; W75-M244 HydrophobicContact CH2-CG 3.38Å; W75-M244 HydrophobicContact CZ2-CB 4.36Å; W75-M244 HydrophobicContact CZ2-CG 3.75Å; W75-M244 HydrophobicContact CZ3-CB 3.49Å; W75-M244 VanDerWaalsContact CZ3-CB 3.49Å; W75-M244 HydrophobicContact CZ3-CG 3.83Å
76A97Very high93Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-62.6-45.2-177.500000111.6F72 T73 H78 Y79 L80 Y94 I241F72-A76 HydrophobicContact CE2-CB 4.47Å; F72-A76 WeakPolarHBondContact O-CB 2.99Å; F72-A76 PolarHBondContact O-N 3.26Å; T73-A76 PolarHBondContact O-N 3.04Å; A76-H78 PolarHBondContact O-N 3.27Å; A76-Y79 PolarHBondContact O-N 3.45Å; A76-L80 WeakPolarHBondContact O-CB 3.32Å; A76-L80 VanDerWaalsContact O-CG 3.27Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.44Å; A76-Y94 HydrophobicContact CB-CD1 3.81Å; A76-Y94 HydrophobicContact CB-CD2 4.26Å; A76-Y94 HydrophobicContact CB-CE1 4.16Å; A76-Y94 HydrophobicContact CB-CG 3.87Å; A76-I241 HydrophobicContact CB-CD1 4.3Å
77V96.4Very high92.5Very high24 Ų2437.2 Ų37.215%0.14521%0.205CC..Hα-helixtrans-58.3-47.8174.5171.80000110.8T73 W75 S81 Y94 E95T73-V77 WeakPolarHBondContact O-CG2 3.47Å; T73-V77 PolarHBondContact O-N 3.37Å; W75-V77 PolarHBondContact O-N 2.94Å; V77-S81 VanDerWaalsContact O-CB 3.22Å; V77-S81 WeakPolarHBondContact O-CB 3.46Å; V77-S81 PolarHBondContact O-N 3.03Å; V77-S81 PolarHBondContact O-OG 3.19Å; V77-Y94 VanDerWaalsContact CG2-C 3.49Å; V77-Y94 WeakPolarHBondContact CG2-O 3.48Å; V77-E95 HydrophobicContact CG1-CG 4.05Å; V77-E95 HydrophobicContact CG2-CG 4.05Å
78H95.8Very high92.1Very high71 Ų7142.5 Ų42.533%0.32923%0.232SC..Hα-helixtrans-61.3-47.3177.5177.4-97.3000112.1K74 W75 A76 K82 E130K74-H78 PolarHBondContact O-N 3.48Å; W75-H78 PolarHBondContact O-N 2.71Å; A76-H78 PolarHBondContact O-N 3.27Å; H78-K82 VanDerWaalsContact O-CB 3.27Å; H78-K82 WeakPolarHBondContact O-CB 3.35Å; H78-K82 PolarHBondContact O-N 2.87Å; H78-E130 IonicContact CE1-OE1 3.3Å; H78-E130 WeakPolarHBondContact ND1-CG 3.33Å; H78-E130 IonicContact ND1-OE1 2.82Å; H78-E130 IonicContact NE2-OE1 2.68Å
79Y95.6Very high91.9Very high5 Ų547.4 Ų47.42%0.0226%0.262CS..Hα-helixtrans-60.5-49.4-179.4178.1-93.1000111.9W75 A76 K82 N83 D133 I237 I240 I241W75-Y79 HydrophobicContact CH2-CG 4.31Å; W75-Y79 HydrophobicContact CZ2-CD2 4.02Å; W75-Y79 AromaticContact CZ2-CG 3.96Å; W75-Y79 HydrophobicContact CZ2-CG 3.96Å; W75-Y79 WeakPolarHBondContact O-CB 3.27Å; W75-Y79 PolarHBondContact O-N 3.12Å; A76-Y79 PolarHBondContact O-N 3.45Å; Y79-K82 PolarHBondContact O-N 3.04Å; Y79-N83 WeakPolarHBondContact CD2-ND2 3.25Å; Y79-N83 VanDerWaalsContact CE2-ND2 3.3Å; Y79-N83 WeakPolarHBondContact CE2-ND2 3.28Å; Y79-N83 VanDerWaalsContact O-CB 3.3Å; Y79-N83 WeakPolarHBondContact O-CB 3.47Å; Y79-N83 PolarHBondContact O-N 3.24Å; Y79-N83 PolarHBondContact O-ND2 3.2Å; Y79-D133 HydrophobicContact CD2-CB 4.06Å; Y79-D133 HydrophobicContact CE2-CB 4.21Å; Y79-I237 HydrophobicContact CE1-CG1 4.3Å; Y79-I237 HydrophobicContact CE1-CG2 4.39Å; Y79-I240 HydrophobicContact CE1-CG2 4.14Å; Y79-I240 HydrophobicContact CE2-CD1 4.36Å; Y79-I240 HydrophobicContact CE2-CG2 4.04Å; Y79-I240 WeakPolarHBondContact OH-CD1 3.37Å; Y79-I241 HydrophobicContact CD1-CD1 4.03Å
80L94.9Very high91.7Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-66.7-43-178.6-70.9170.1000112.1A76 K82 N83 G84 A85 L90 L91 Y94 I237 I241A76-L80 WeakPolarHBondContact O-CB 3.32Å; A76-L80 VanDerWaalsContact O-CG 3.27Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.44Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 2.88Å; L80-N83 PolarHBondContact O-N 3.38Å; L80-G84 PolarHBondContact O-N 3.43Å; L80-A85 HydrophobicContact CB-CB 4.06Å; L80-A85 HydrophobicContact CD2-CB 3.86Å; L80-A85 PolarHBondContact O-N 2.89Å; L80-A85 VanDerWaalsContact O-N 3.12Å; L80-L90 HydrophobicContact CD1-CD2 4.45Å; L80-L90 HydrophobicContact CD1-CG 4.18Å; L80-L90 HydrophobicContact CD2-CD2 4.05Å; L80-L91 HydrophobicContact CB-CD1 3.9Å; L80-Y94 HydrophobicContact CD1-CD2 3.44Å; L80-Y94 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y94 HydrophobicContact CD1-CE2 4.11Å; L80-Y94 HydrophobicContact CD1-CG 4.27Å; L80-I237 HydrophobicContact CD2-CG2 3.58Å; L80-I241 HydrophobicContact CD1-CD1 4.44Å; L80-I241 HydrophobicContact CD2-CD1 4.27Å; L80-I241 HydrophobicContact CD2-CG1 4.2Å; L80-I241 HydrophobicContact CG-CD1 4.22Å
81S93.1Very high91.5Very high68 Ų6847.4 Ų47.448%0.47627%0.265SS..Hα-helixtrans-61.3-43.5177.2-62.30000111.5V77V77-S81 VanDerWaalsContact O-CB 3.22Å; V77-S81 WeakPolarHBondContact O-CB 3.46Å; V77-S81 PolarHBondContact O-N 3.03Å; V77-S81 PolarHBondContact O-OG 3.19Å
82K91.9Very high91.4Very high115 Ų11550.7 Ų50.750%0.528%0.281SS..Hα-helixtrans-72.9-36.7-178.7-173.5171.2-175.3168.90113.1H78 Y79 L80 G84 D134H78-K82 VanDerWaalsContact O-CB 3.27Å; H78-K82 WeakPolarHBondContact O-CB 3.35Å; H78-K82 PolarHBondContact O-N 2.87Å; Y79-K82 PolarHBondContact O-N 3.04Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 2.88Å; K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.34Å; K82-D134 WeakPolarHBondContact CE-OD1 3.24Å; K82-D134 IonicContact NZ-OD1 3.48Å; K82-D134 PolarHBondContact NZ-OD1 3.3Å; K82-D134 IonicContact NZ-OD2 2.74Å; K82-D134 PolarHBondContact NZ-OD2 3.14Å
83N86.7Confident91.3Very high22 Ų2253.1 Ų53.112%0.11830%0.299CS..THydrogen-bonded Turntrans-85.74.1-177.2-78.8-80.8000114.1Y79 L80 K233 I237Y79-N83 WeakPolarHBondContact CD2-ND2 3.25Å; Y79-N83 VanDerWaalsContact CE2-ND2 3.3Å; Y79-N83 WeakPolarHBondContact CE2-ND2 3.28Å; Y79-N83 VanDerWaalsContact O-CB 3.3Å; Y79-N83 WeakPolarHBondContact O-CB 3.47Å; Y79-N83 PolarHBondContact O-N 3.24Å; Y79-N83 PolarHBondContact O-ND2 3.2Å; L80-N83 PolarHBondContact O-N 3.38Å; N83-K233 WeakPolarHBondContact O-CE 3.5Å; N83-K233 PolarHBondContact OD1-NZ 3.16Å; N83-I237 HydrophobicContact CB-CD1 4.44Å
84G76Confident91.2Very high52 Ų5254 Ų5454%0.53630%0.302SS..THydrogen-bonded Turntrans64.149.2176.600000111.9L80 K82 T86L80-G84 PolarHBondContact O-N 3.43Å; K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.34Å; G84-T86 PolarHBondContact O-N 2.83Å
85A72.9Confident91.2Very high18 Ų1852.9 Ų52.915%0.14930%0.299CS..  trans-49.3116.8177.100000110.3L80 D87L80-A85 HydrophobicContact CB-CB 4.06Å; L80-A85 HydrophobicContact CD2-CB 3.86Å; L80-A85 PolarHBondContact O-N 2.89Å; L80-A85 VanDerWaalsContact O-N 3.12Å; A85-D87 PolarHBondContact O-N 3.21Å
86T77.1Confident91.2Very high104 Ų10457.8 Ų57.864%0.63833%0.325SS*.SBendtrans-67.1-28.6174.849.20000110.8G84 I88 D234G84-T86 PolarHBondContact O-N 2.83Å; T86-I88 PolarHBondContact O-N 2.64Å; T86-I88 VanDerWaalsContact O-N 3.17Å; T86-D234 PolarHBondContact OG1-OD1 3.21Å
87D84.8Confident91.2Very high82 Ų8260 Ų6044%0.43934%0.335SS..  trans-81.387.3174.8-166.2-20.4000111.2A85 T89 L90 L91A85-D87 PolarHBondContact O-N 3.21Å; D87-T89 PolarHBondContact O-N 3.48Å; D87-T89 WeakPolarHBondContact OD1-CB 3.49Å; D87-T89 PolarHBondContact OD1-N 2.63Å; D87-T89 VanDerWaalsContact OD1-N 3.14Å; D87-L90 HydrophobicContact CB-CB 3.88Å; D87-L90 VanDerWaalsContact CG-CB 3.48Å; D87-L90 PolarHBondContact O-N 3.36Å; D87-L90 PolarHBondContact OD1-N 2.73Å; D87-L91 PolarHBondContact O-N 3.47Å
88I89.4Confident91.3Very high110 Ų11061.1 Ų61.156%0.56434%0.337SS*.Hα-helixtrans-60-34.6176-63.5172.5000110.9T86 L91 Q92T86-I88 PolarHBondContact O-N 2.64Å; T86-I88 VanDerWaalsContact O-N 3.17Å; I88-L91 PolarHBondContact O-N 3.43Å; I88-Q92 HydrophobicContact CG2-CG 4.32Å; I88-Q92 WeakPolarHBondContact O-CG 3.49Å; I88-Q92 PolarHBondContact O-N 3.43Å
89T93Very high91.4Very high104 Ų10461.8 Ų61.864%0.63834%0.34SS*.Hα-helixtrans-66.5-40.3180-58.90000111.1D87 Q92 S93D87-T89 PolarHBondContact O-N 3.48Å; D87-T89 WeakPolarHBondContact OD1-CB 3.49Å; D87-T89 PolarHBondContact OD1-N 2.63Å; D87-T89 VanDerWaalsContact OD1-N 3.14Å; T89-Q92 PolarHBondContact O-N 2.97Å; T89-S93 PolarHBondContact O-N 3Å
90L92.8Very high91.5Very high51 Ų5167.9 Ų67.927%0.26737%0.369SS..Hα-helixtrans-62.1-45174.7-175.865000112.1L80 D87 S93 Y94L80-L90 HydrophobicContact CD1-CD2 4.45Å; L80-L90 HydrophobicContact CD1-CG 4.18Å; L80-L90 HydrophobicContact CD2-CD2 4.05Å; D87-L90 HydrophobicContact CB-CB 3.88Å; D87-L90 VanDerWaalsContact CG-CB 3.48Å; D87-L90 PolarHBondContact O-N 3.36Å; D87-L90 PolarHBondContact OD1-N 2.73Å; L90-S93 WeakPolarHBondContact O-CB 3.35Å; L90-S93 PolarHBondContact O-N 2.93Å; L90-Y94 HydrophobicContact CD1-CD2 4.11Å; L90-Y94 HydrophobicContact CD1-CE2 3.72Å; L90-Y94 HydrophobicContact CG-CD2 4.25Å; L90-Y94 HydrophobicContact CG-CE2 4.18Å; L90-Y94 WeakPolarHBondContact O-CD2 3.37Å; L90-Y94 PolarHBondContact O-N 2.96Å
91L94.9Very high91.6Very high32 Ų3268.6 Ų68.617%0.16838%0.375CS..Hα-helixtrans-60.2-49.1176.5175.259000111.1L80 D87 I88 S93 Y94 E95L80-L91 HydrophobicContact CB-CD1 3.9Å; D87-L91 PolarHBondContact O-N 3.47Å; I88-L91 PolarHBondContact O-N 3.43Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 2.9Å; L91-Y94 PolarHBondContact O-N 3.34Å; L91-Y94 VanDerWaalsContact O-N 3.16Å; L91-E95 HydrophobicContact CD1-CG 4.12Å; L91-E95 HydrophobicContact CG-CG 4.36Å; L91-E95 WeakPolarHBondContact O-CG 3.45Å; L91-E95 PolarHBondContact O-N 2.94Å
92Q95.5Very high91.9Very high99 Ų9968.2 Ų68.246%0.46337%0.365SS..Hα-helixtrans-59.8-36.3178.1-73.8175.1-2100112.6I88 T89 E95 N96I88-Q92 HydrophobicContact CG2-CG 4.32Å; I88-Q92 WeakPolarHBondContact O-CG 3.49Å; I88-Q92 PolarHBondContact O-N 3.43Å; T89-Q92 PolarHBondContact O-N 2.97Å; Q92-E95 PolarHBondContact O-N 3.31Å; Q92-N96 VanDerWaalsContact O-CG 3.23Å; Q92-N96 PolarHBondContact O-N 3.33Å; Q92-N96 PolarHBondContact O-ND2 3.48Å; Q92-N96 VanDerWaalsContact O-ND2 3.13Å
93S96Very high92.1Very high52 Ų5268.6 Ų68.636%0.36437%0.366SS..Hα-helixtrans-59.7-50.8174.6-166.90000111.1T89 L90 L91 E95 N96 E97T89-S93 PolarHBondContact O-N 3Å; L90-S93 WeakPolarHBondContact O-CB 3.35Å; L90-S93 PolarHBondContact O-N 2.93Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 2.9Å; S93-E95 PolarHBondContact O-N 3.37Å; S93-N96 PolarHBondContact O-N 3.07Å; S93-E97 WeakPolarHBondContact O-CG 3.38Å; S93-E97 PolarHBondContact O-N 3Å; S93-E97 PolarHBondContact OG-OE1 2.97Å
94Y96.5Very high92.4Very high18 Ų1869.1 Ų69.17%0.07138%0.377CS..Hα-helixtrans-70-31179.6-78.9-63000113.5F72 A76 V77 L80 L90 L91 E97 Y98 I241F72-Y94 HydrophobicContact CE1-CD1 4.5Å; F72-Y94 AromaticContact CE1-CE1 3.68Å; F72-Y94 HydrophobicContact CE1-CE1 3.68Å; F72-Y94 AromaticContact CZ-CE1 3.78Å; F72-Y94 HydrophobicContact CZ-CE1 3.78Å; A76-Y94 HydrophobicContact CB-CD1 3.81Å; A76-Y94 HydrophobicContact CB-CD2 4.26Å; A76-Y94 HydrophobicContact CB-CE1 4.16Å; A76-Y94 HydrophobicContact CB-CG 3.87Å; V77-Y94 VanDerWaalsContact CG2-C 3.49Å; V77-Y94 WeakPolarHBondContact CG2-O 3.48Å; L80-Y94 HydrophobicContact CD1-CD2 3.44Å; L80-Y94 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y94 HydrophobicContact CD1-CE2 4.11Å; L80-Y94 HydrophobicContact CD1-CG 4.27Å; L90-Y94 HydrophobicContact CD1-CD2 4.11Å; L90-Y94 HydrophobicContact CD1-CE2 3.72Å; L90-Y94 HydrophobicContact CG-CD2 4.25Å; L90-Y94 HydrophobicContact CG-CE2 4.18Å; L90-Y94 WeakPolarHBondContact O-CD2 3.37Å; L90-Y94 PolarHBondContact O-N 2.96Å; L91-Y94 PolarHBondContact O-N 3.34Å; L91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-E97 PolarHBondContact O-N 3.06Å; Y94-Y98 VanDerWaalsContact O-CB 3.28Å; Y94-Y98 WeakPolarHBondContact O-CB 3.39Å; Y94-Y98 PolarHBondContact O-N 3.45Å; Y94-I241 HydrophobicContact CE2-CG2 3.86Å; Y94-I241 WeakPolarHBondContact OH-CG2 3.42Å
95E97.2Very high93.3Very high79 Ų7968.2 Ų68.237%0.36936%0.36SS..Hα-helixtrans-61.4-45.7171.2-74.1176.5152.400111V77 L91 Q92 S93 Y98 E99V77-E95 HydrophobicContact CG1-CG 4.05Å; V77-E95 HydrophobicContact CG2-CG 4.05Å; L91-E95 HydrophobicContact CD1-CG 4.12Å; L91-E95 HydrophobicContact CG-CG 4.36Å; L91-E95 WeakPolarHBondContact O-CG 3.45Å; L91-E95 PolarHBondContact O-N 2.94Å; Q92-E95 PolarHBondContact O-N 3.31Å; S93-E95 PolarHBondContact O-N 3.37Å; E95-Y98 PolarHBondContact O-N 3.12Å; E95-E99 WeakPolarHBondContact O-CG 3.41Å; E95-E99 PolarHBondContact O-N 3.11Å
96N97.8Very high94.3Very high108 Ų10874.4 Ų74.458%0.57839%0.386SS*.Hα-helixtrans-62.8-48.3176-69.7-30.9000111.6Q92 S93 Y98 E99 E100Q92-N96 VanDerWaalsContact O-CG 3.23Å; Q92-N96 PolarHBondContact O-N 3.33Å; Q92-N96 PolarHBondContact O-ND2 3.48Å; Q92-N96 VanDerWaalsContact O-ND2 3.13Å; S93-N96 PolarHBondContact O-N 3.07Å; N96-Y98 VanDerWaalsContact C-N 3.27Å; N96-Y98 PolarHBondContact O-N 3.27Å; N96-E99 PolarHBondContact O-N 2.75Å; N96-E100 WeakPolarHBondContact O-CG 3.48Å; N96-E100 PolarHBondContact O-N 3.45Å
97E97.6Very high95Very high45 Ų4576 Ų7621%0.2139%0.39CS..Hα-helixtrans-60.7-36.6177.9-71.4178.6-141.700112.3K69 T73 S93 Y94 E100 A101K69-E97 VanDerWaalsContact CE-OE2 3.25Å; K69-E97 WeakPolarHBondContact CE-OE2 3.47Å; K69-E97 IonicContact NZ-OE2 3.99Å; K69-E97 PolarHBondContact NZ-OE2 3.04Å; T73-E97 HydrophobicContact CG2-CB 3.79Å; S93-E97 WeakPolarHBondContact O-CG 3.38Å; S93-E97 PolarHBondContact O-N 3Å; S93-E97 PolarHBondContact OG-OE1 2.97Å; Y94-E97 PolarHBondContact O-N 3.06Å; E97-E100 PolarHBondContact O-N 2.65Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 2.95Å
98Y98.2Very high95.3Very high49 Ų4973.1 Ų73.119%0.19238%0.378CS..Hα-helixtrans-68.3-42.6176.4179.6-132.1000112L70 T73 K74 Y94 E95 N96 E100 A101 K102L70-Y98 HydrophobicContact CD1-CD2 4.41Å; L70-Y98 HydrophobicContact CD1-CE2 4.01Å; T73-Y98 WeakPolarHBondContact OG1-CA 3.41Å; K74-Y98 HydrophobicContact CB-CD2 3.87Å; K74-Y98 HydrophobicContact CB-CE2 3.41Å; K74-Y98 VanDerWaalsContact CB-CE2 3.41Å; K74-Y98 HydrophobicContact CD-CE2 4.27Å; K74-Y98 HydrophobicContact CG-CE1 4.45Å; K74-Y98 HydrophobicContact CG-CE2 3.87Å; Y94-Y98 VanDerWaalsContact O-CB 3.28Å; Y94-Y98 WeakPolarHBondContact O-CB 3.39Å; Y94-Y98 PolarHBondContact O-N 3.45Å; E95-Y98 PolarHBondContact O-N 3.12Å; N96-Y98 VanDerWaalsContact C-N 3.27Å; N96-Y98 PolarHBondContact O-N 3.27Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 3.44Å; Y98-A101 PolarHBondContact O-N 3.04Å; Y98-K102 HydrophobicContact CD1-CD 4.09Å; Y98-K102 HydrophobicContact CD2-CD 4.32Å; Y98-K102 HydrophobicContact CD2-CG 4.18Å; Y98-K102 HydrophobicContact CE1-CD 3.69Å; Y98-K102 HydrophobicContact CE1-CG 4.46Å; Y98-K102 HydrophobicContact CE2-CD 3.91Å; Y98-K102 HydrophobicContact CE2-CG 3.76Å; Y98-K102 HydrophobicContact CG-CD 4.4Å; Y98-K102 WeakPolarHBondContact O-CG 3.39Å; Y98-K102 PolarHBondContact O-N 2.98Å
99E98.2Very high95.4Very high84 Ų8470.4 Ų70.439%0.39337%0.365SS..Hα-helixtrans-64.8-36.1175.1-71.9-56.5138.200112.4E95 N96 K102 K103E95-E99 WeakPolarHBondContact O-CG 3.41Å; E95-E99 PolarHBondContact O-N 3.11Å; N96-E99 PolarHBondContact O-N 2.75Å; E99-K102 IonicContact OE1-NZ 2.94Å; E99-K102 PolarHBondContact OE1-NZ 3.02Å; E99-K102 IonicContact OE2-NZ 3.77Å; E99-K102 PolarHBondContact OE2-NZ 2.91Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 3.01Å; E99-K103 VanDerWaalsContact O-N 3.12Å
100E97.6Very high95Very high134 Ų13470.7 Ų70.763%0.62637%0.368SS*.Hα-helixtrans-64.1-46.1171-72-177.715100111.9N96 E97 Y98 K102 K103 G104N96-E100 WeakPolarHBondContact O-CG 3.48Å; N96-E100 PolarHBondContact O-N 3.45Å; E97-E100 PolarHBondContact O-N 2.65Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 3.44Å; E100-K102 VanDerWaalsContact C-N 3.33Å; E100-K102 PolarHBondContact O-N 3.31Å; E100-K103 PolarHBondContact O-N 2.88Å; E100-G104 PolarHBondContact O-N 3.48Å
101A97.7Very high94.6Very high14 Ų1477.2 Ų77.212%0.11639%0.389CS..Hα-helixtrans-63.3-37.8178.200000112.2K69 L70 E97 Y98 G104 D105K69-A101 HydrophobicContact CG-CB 4.49Å; L70-A101 HydrophobicContact CB-CB 4.27Å; L70-A101 HydrophobicContact CD1-CB 4.07Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 2.95Å; Y98-A101 PolarHBondContact O-N 3.04Å; A101-G104 PolarHBondContact O-N 3.16Å; A101-D105 WeakPolarHBondContact O-CB 3.16Å; A101-D105 PolarHBondContact O-N 3.07Å
102K97.5Very high94.1Very high61 Ų6179.3 Ų79.327%0.26540%0.395SS..Hα-helixtrans-61.4-48.2173.3-78.2169.763.9-151.40112.1L70 Y98 E99 E100 G104 D105 E106L70-K102 HydrophobicContact CD1-CG 4.07Å; Y98-K102 HydrophobicContact CD1-CD 4.09Å; Y98-K102 HydrophobicContact CD2-CD 4.32Å; Y98-K102 HydrophobicContact CD2-CG 4.18Å; Y98-K102 HydrophobicContact CE1-CD 3.69Å; Y98-K102 HydrophobicContact CE1-CG 4.46Å; Y98-K102 HydrophobicContact CE2-CD 3.91Å; Y98-K102 HydrophobicContact CE2-CG 3.76Å; Y98-K102 HydrophobicContact CG-CD 4.4Å; Y98-K102 WeakPolarHBondContact O-CG 3.39Å; Y98-K102 PolarHBondContact O-N 2.98Å; E99-K102 IonicContact OE1-NZ 2.94Å; E99-K102 PolarHBondContact OE1-NZ 3.02Å; E99-K102 IonicContact OE2-NZ 3.77Å; E99-K102 PolarHBondContact OE2-NZ 2.91Å; E100-K102 VanDerWaalsContact C-N 3.33Å; E100-K102 PolarHBondContact O-N 3.31Å; K102-G104 VanDerWaalsContact C-N 3.27Å; K102-G104 PolarHBondContact O-N 3.46Å; K102-D105 WeakPolarHBondContact O-CA 3.48Å; K102-D105 WeakPolarHBondContact O-CB 3.45Å; K102-D105 PolarHBondContact O-N 3.34Å; K102-E106 WeakPolarHBondContact O-CG 3.37Å; K102-E106 PolarHBondContact O-N 3.38Å
103K96.6Very high93.6Very high122 Ų12275.1 Ų75.153%0.5338%0.376SS..Hα-helixtrans-60.5-39.5175.4-70.3170.7-173.9171.50111.5E99 E100 D105 N107E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 3.01Å; E99-K103 VanDerWaalsContact O-N 3.12Å; E100-K103 PolarHBondContact O-N 2.88Å; K103-D105 VanDerWaalsContact C-N 3.3Å; K103-D105 PolarHBondContact O-N 3.5Å; K103-N107 PolarHBondContact O-N 3.09Å; K103-N107 PolarHBondContact O-ND2 3.47Å
104G94.2Very high92.8Very high33 Ų3382.9 Ų82.934%0.3440%0.397SS..Hα-helixtrans-62.8-36.1173.600000112.8E100 A101 K102 A108E100-G104 PolarHBondContact O-N 3.48Å; A101-G104 PolarHBondContact O-N 3.16Å; K102-G104 VanDerWaalsContact C-N 3.27Å; K102-G104 PolarHBondContact O-N 3.46Å; G104-A108 PolarHBondContact O-N 3.35Å
105D94.9Very high92.2Very high33 Ų3385.2 Ų85.218%0.17643%0.427CS..Hα-helixtrans-70.5-42.2176.5-166.358.2000113.6R66 L70 A101 K102 K103 N107 A108 R119R66-D105 IonicContact CZ-OD1 3.86Å; R66-D105 VanDerWaalsContact NH1-CA 3.3Å; R66-D105 IonicContact NH1-OD1 2.79Å; R66-D105 PolarHBondContact NH1-OD1 2.96Å; R66-D105 IonicContact NH2-OD1 2.93Å; R66-D105 PolarHBondContact NH2-OD1 3.17Å; L70-D105 HydrophobicContact CD1-CB 4.43Å; L70-D105 HydrophobicContact CD2-CB 3.89Å; A101-D105 WeakPolarHBondContact O-CB 3.16Å; A101-D105 PolarHBondContact O-N 3.07Å; K102-D105 WeakPolarHBondContact O-CA 3.48Å; K102-D105 WeakPolarHBondContact O-CB 3.45Å; K102-D105 PolarHBondContact O-N 3.34Å; K103-D105 VanDerWaalsContact C-N 3.3Å; K103-D105 PolarHBondContact O-N 3.5Å; D105-N107 PolarHBondContact O-N 2.96Å; D105-A108 WeakPolarHBondContact O-CB 3.43Å; D105-A108 PolarHBondContact O-N 3.31Å; D105-R119 IonicContact OD1-CZ 2.73Å; D105-R119 VanDerWaalsContact OD1-CZ 3.24Å; D105-R119 IonicContact OD1-NH1 2.64Å; D105-R119 PolarHBondContact OD1-NH1 3.29Å; D105-R119 IonicContact OD1-NH2 2.8Å; D105-R119 PolarHBondContact OD1-NH2 3.44Å; D105-R119 IonicContact OD2-CZ 3.2Å; D105-R119 IonicContact OD2-NH1 3.43Å; D105-R119 PolarHBondContact OD2-NH1 3.05Å; D105-R119 IonicContact OD2-NH2 3.8Å; D105-R119 PolarHBondContact OD2-NH2 3.06Å
106E93.7Very high92Very high148 Ų14882.8 Ų82.869%0.69242%0.423SS*.Hα-helixtrans-61.5-32.5177.2-72.2171.7-17800112.5K102K102-E106 WeakPolarHBondContact O-CG 3.37Å; K102-E106 PolarHBondContact O-N 3.38Å
107N91.7Very high91.9Very high137 Ų13785.7 Ų85.773%0.73343%0.426SS*.THydrogen-bonded Turntrans-95.60-179.3-66.2-61.8000113.8K103 D105K103-N107 PolarHBondContact O-N 3.09Å; K103-N107 PolarHBondContact O-ND2 3.47Å; D105-N107 PolarHBondContact O-N 2.96Å
108A91.5Very high91.7Very high22 Ų2283.6 Ų83.618%0.18242%0.416CS..SBendtrans-69.2141.5-176.900000111.5G104 D105 P110G104-A108 PolarHBondContact O-N 3.35Å; D105-A108 WeakPolarHBondContact O-CB 3.43Å; D105-A108 PolarHBondContact O-N 3.31Å; A108-P110 WeakPolarHBondContact O-CD 3.39Å
109D89.8Confident91.6Very high53 Ų5384.9 Ų84.928%0.28342%0.421SS..  trans-67.4114.4172.4-178-16.3000109.2R111 R112D109-R111 PolarHBondContact O-N 3.47Å; D109-R111 VanDerWaalsContact OD1-CB 3.25Å; D109-R111 WeakPolarHBondContact OD1-CB 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.4Å; D109-R111 IonicContact OD1-CZ 3.84Å; D109-R111 PolarHBondContact OD1-N 2.67Å; D109-R111 IonicContact OD1-NE 2.93Å; D109-R111 PolarHBondContact OD1-NE 2.97Å; D109-R111 IonicContact OD1-NH2 3.83Å; D109-R111 IonicContact OD2-CZ 2.66Å; D109-R111 IonicContact OD2-NE 2.62Å; D109-R111 PolarHBondContact OD2-NE 2.94Å; D109-R111 VanDerWaalsContact OD2-NE 3.15Å; D109-R111 IonicContact OD2-NH2 2.67Å; D109-R111 PolarHBondContact OD2-NH2 3.45Å; D109-R112 HydrophobicContact CB-CG 4.14Å; D109-R112 WeakPolarHBondContact O-CB 3.29Å; D109-R112 PolarHBondContact O-N 3.5Å
110P85.3Confident91.6Very high110 Ų11083.7 Ų83.771%0.71443%0.426SS*.G310 helixtrans-60.4-17.2-176.2-23.534.9000113.7A108 R112A108-P110 WeakPolarHBondContact O-CD 3.39Å; P110-R112 PolarHBondContact O-N 3.48Å
111R83.9Confident91.6Very high189 Ų18978.1 Ų78.171%0.71340%0.402SS*.G310 helixtrans-74.2-13.3177-59.2173.4-67.4-178.31.9113.1Y48 D109Y48-R111 PolarHBondContact OH-O 2.93Å; D109-R111 PolarHBondContact O-N 3.47Å; D109-R111 VanDerWaalsContact OD1-CB 3.25Å; D109-R111 WeakPolarHBondContact OD1-CB 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.4Å; D109-R111 IonicContact OD1-CZ 3.84Å; D109-R111 PolarHBondContact OD1-N 2.67Å; D109-R111 IonicContact OD1-NE 2.93Å; D109-R111 PolarHBondContact OD1-NE 2.97Å; D109-R111 IonicContact OD1-NH2 3.83Å; D109-R111 IonicContact OD2-CZ 2.66Å; D109-R111 IonicContact OD2-NE 2.62Å; D109-R111 PolarHBondContact OD2-NE 2.94Å; D109-R111 VanDerWaalsContact OD2-NE 3.15Å; D109-R111 IonicContact OD2-NH2 2.67Å; D109-R111 PolarHBondContact OD2-NH2 3.45Å
112R85.3Confident91.6Very high75 Ų7577.5 Ų77.528%0.28340%0.396SS..G310 helixtrans-72.2-27.1176.8-67.9-176.4-179.9-140.92.2113.1Y48 I59 E62 E63 D109 P110Y48-R112 WeakPolarHBondContact OH-CA 3.43Å; Y48-R112 PolarHBondContact OH-O 3.31Å; I59-R112 HydrophobicContact CG2-CG 4.01Å; E62-R112 IonicContact OE2-CZ 2.71Å; E62-R112 IonicContact OE2-NH1 3.15Å; E62-R112 PolarHBondContact OE2-NH1 2.71Å; E62-R112 IonicContact OE2-NH2 3.33Å; E63-R112 HydrophobicContact CB-CB 4.11Å; E63-R112 VanDerWaalsContact CD-CB 3.5Å; E63-R112 HydrophobicContact CG-CB 3.72Å; D109-R112 HydrophobicContact CB-CG 4.14Å; D109-R112 WeakPolarHBondContact O-CB 3.29Å; D109-R112 PolarHBondContact O-N 3.5Å; P110-R112 PolarHBondContact O-N 3.48Å
113D85.6Confident91.6Very high11 Ų1176.5 Ų76.56%0.05940%0.397CS..SBendtrans-115.379.1173.8-179.712.7000109.9G115 G116 R117 L118 R119D113-G115 PolarHBondContact O-N 2.99Å; D113-G116 PolarHBondContact O-N 3.01Å; D113-G116 WeakPolarHBondContact OD1-CA 3.27Å; D113-G116 VanDerWaalsContact OD2-CA 3.24Å; D113-G116 WeakPolarHBondContact OD2-CA 3.34Å; D113-R117 PolarHBondContact OD1-N 3.06Å; D113-L118 VanDerWaalsContact OD1-CB 3.31Å; D113-L118 WeakPolarHBondContact OD1-CB 3.35Å; D113-L118 PolarHBondContact OD1-N 3.15Å; D113-R119 WeakPolarHBondContact OD2-CB 3.35Å; D113-R119 PolarHBondContact OD2-N 3.39Å
114W78.1Confident91.7Very high215 Ų21576.2 Ų76.281%0.81440%0.396SS*.G310 helixtrans-60.7110.5-173.2-168.118.4000111.7G116W114-G116 VanDerWaalsContact C-N 3.32Å
115G84.7Confident91.9Very high67 Ų6774.7 Ų74.769%0.69138%0.38SS*.G310 helixtrans798.9-179.100000114.8D113 R117D113-G115 PolarHBondContact O-N 2.99Å; G115-R117 PolarHBondContact O-N 2.9Å
116G93.1Very high92Very high29 Ų2973.5 Ų73.530%0.29937%0.373SS..G310 helixtrans71.29.8175.100000114.6D113 W114 A120D113-G116 PolarHBondContact O-N 3.01Å; D113-G116 WeakPolarHBondContact OD1-CA 3.27Å; D113-G116 VanDerWaalsContact OD2-CA 3.24Å; D113-G116 WeakPolarHBondContact OD2-CA 3.34Å; W114-G116 VanDerWaalsContact C-N 3.32Å; G116-A120 VanDerWaalsContact O-CB 3.27Å; G116-A120 WeakPolarHBondContact O-CB 3.48Å; G116-A120 PolarHBondContact O-N 3.28Å
117R94.1Very high92.2Very high169 Ų16971.1 Ų71.164%0.63836%0.36SS*.Hα-helixtrans-72.1-39.8-170.6-63.6-171.6-178.2-152.42.3111.4Q40 D113 G115 A120 S121Q40-R117 HydrophobicContact CG-CB 4.28Å; D113-R117 PolarHBondContact OD1-N 3.06Å; G115-R117 PolarHBondContact O-N 2.9Å; R117-A120 PolarHBondContact O-N 3.37Å; R117-S121 WeakPolarHBondContact O-CB 3.33Å; R117-S121 PolarHBondContact O-N 3.21Å; R117-S121 PolarHBondContact O-OG 2.91Å
118L94.7Very high92.5Very high1 Ų166.3 Ų66.31%0.00533%0.333CS..Hα-helixtrans-63.4-52178.9-177.259.8000109.7K41 Y60 C64 L67 D113 A120 S121 I122K41-L118 HydrophobicContact CB-CD1 4.48Å; K41-L118 HydrophobicContact CG-CD1 3.78Å; Y60-L118 HydrophobicContact CD2-CD2 4.47Å; Y60-L118 HydrophobicContact CE2-CD2 3.92Å; C64-L118 HydrophobicContact CB-CD2 4.47Å; L67-L118 HydrophobicContact CD1-CB 4.27Å; L67-L118 HydrophobicContact CD1-CD2 3.94Å; L67-L118 HydrophobicContact CD1-CG 3.88Å; D113-L118 VanDerWaalsContact OD1-CB 3.31Å; D113-L118 WeakPolarHBondContact OD1-CB 3.35Å; D113-L118 PolarHBondContact OD1-N 3.15Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.92Å; L118-S121 PolarHBondContact O-N 3.39Å; L118-S121 PolarHBondContact O-OG 3.08Å; L118-I122 HydrophobicContact CD1-CD1 3.81Å; L118-I122 HydrophobicContact CD1-CG1 4.31Å; L118-I122 HydrophobicContact CG-CD1 3.84Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.35Å
119R96.5Very high92.8Very high75 Ų7565.2 Ų65.228%0.28332%0.324SS..Hα-helixtrans-54.5-47.8174.7176.8-169.9-66.5-1122.8111.9L67 Y71 D105 D113 S121 I122 S123L67-R119 HydrophobicContact CD1-CB 4.07Å; L67-R119 HydrophobicContact CD2-CB 3.97Å; L67-R119 HydrophobicContact CD2-CG 4.06Å; Y71-R119 HydrophobicContact CE2-CG 3.91Å; Y71-R119 WeakPolarHBondContact OH-CG 3.46Å; D105-R119 IonicContact OD1-CZ 2.73Å; D105-R119 VanDerWaalsContact OD1-CZ 3.24Å; D105-R119 IonicContact OD1-NH1 2.64Å; D105-R119 PolarHBondContact OD1-NH1 3.29Å; D105-R119 IonicContact OD1-NH2 2.8Å; D105-R119 PolarHBondContact OD1-NH2 3.44Å; D105-R119 IonicContact OD2-CZ 3.2Å; D105-R119 IonicContact OD2-NH1 3.43Å; D105-R119 PolarHBondContact OD2-NH1 3.05Å; D105-R119 IonicContact OD2-NH2 3.8Å; D105-R119 PolarHBondContact OD2-NH2 3.06Å; D113-R119 WeakPolarHBondContact OD2-CB 3.35Å; D113-R119 PolarHBondContact OD2-N 3.39Å; R119-S121 VanDerWaalsContact C-N 3.31Å; R119-S121 PolarHBondContact O-N 3.3Å; R119-I122 PolarHBondContact O-N 3.04Å; R119-S123 WeakPolarHBondContact O-CB 3.4Å; R119-S123 PolarHBondContact O-N 3.27Å
120A97.2Very high93.2Very high60 Ų6064.5 Ų64.550%0.49632%0.319SS..Hα-helixtrans-60-41.9-179.300000112.1G116 R117 L118 K124G116-A120 VanDerWaalsContact O-CB 3.27Å; G116-A120 WeakPolarHBondContact O-CB 3.48Å; G116-A120 PolarHBondContact O-N 3.28Å; R117-A120 PolarHBondContact O-N 3.37Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.92Å; A120-K124 WeakPolarHBondContact O-CB 3.46Å; A120-K124 PolarHBondContact O-N 2.96Å
121S97.3Very high93.7Very high17 Ų1761.5 Ų61.512%0.11930%0.297CS..Hα-helixtrans-69.1-44.3179.4730000113Q40 R117 L118 R119 K124 K125Q40-S121 WeakPolarHBondContact CB-OG 3.11Å; Q40-S121 WeakPolarHBondContact CG-OG 3.22Å; R117-S121 WeakPolarHBondContact O-CB 3.33Å; R117-S121 PolarHBondContact O-N 3.21Å; R117-S121 PolarHBondContact O-OG 2.91Å; L118-S121 PolarHBondContact O-N 3.39Å; L118-S121 PolarHBondContact O-OG 3.08Å; R119-S121 VanDerWaalsContact C-N 3.31Å; R119-S121 PolarHBondContact O-N 3.3Å; S121-K124 PolarHBondContact O-N 2.8Å; S121-K125 PolarHBondContact O-N 3.06Å
122I97.8Very high94.3Very high0 Ų052.5 Ų52.50%026%0.263CS..Hα-helixtrans-65.1-47177-67.3170.6000110.1L67 E68 Y71 L118 R119 K124 K125 W126L67-I122 HydrophobicContact CB-CD1 3.73Å; L67-I122 HydrophobicContact CD1-CD1 4.36Å; E68-I122 HydrophobicContact CG-CD1 4.17Å; E68-I122 HydrophobicContact CG-CG2 4.35Å; Y71-I122 HydrophobicContact CD2-CB 4.34Å; Y71-I122 HydrophobicContact CD2-CG2 3.66Å; Y71-I122 HydrophobicContact CE2-CG2 4.48Å; Y71-I122 HydrophobicContact CG-CG2 4.33Å; L118-I122 HydrophobicContact CD1-CD1 3.81Å; L118-I122 HydrophobicContact CD1-CG1 4.31Å; L118-I122 HydrophobicContact CG-CD1 3.84Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.35Å; R119-I122 PolarHBondContact O-N 3.04Å; I122-K124 VanDerWaalsContact C-N 3.28Å; I122-K124 PolarHBondContact O-N 3.46Å; I122-K125 WeakPolarHBondContact O-CB 3.3Å; I122-K125 PolarHBondContact O-N 2.95Å; I122-K125 VanDerWaalsContact O-N 3.16Å; I122-W126 VanDerWaalsContact O-CD1 3.22Å; I122-W126 PolarHBondContact O-N 3.34Å; I122-W126 VanDerWaalsContact O-N 3.08Å
123S97.9Very high94.8Very high41 Ų4149.2 Ų49.229%0.28725%0.251SS..Hα-helixtrans-53.3-46.2174.9-176.30000111.7Y71 R119 W126 K127Y71-S123 VanDerWaalsContact CE1-CB 3.49Å; Y71-S123 VanDerWaalsContact CE1-OG 3.29Å; Y71-S123 WeakPolarHBondContact CE1-OG 3.5Å; R119-S123 WeakPolarHBondContact O-CB 3.4Å; R119-S123 PolarHBondContact O-N 3.27Å; S123-W126 PolarHBondContact O-N 3.16Å; S123-K127 WeakPolarHBondContact O-CB 3.48Å; S123-K127 PolarHBondContact O-N 2.9Å
124K98.3Very high95.1Very high115 Ų11551.5 Ų51.550%0.526%0.263SS..Hα-helixtrans-64.5-42.9178.6-173.8175.9-180-178.70112.2A33 A120 S121 I122 W126 K127 E128A33-K124 HydrophobicContact CB-CG 4.49Å; A120-K124 WeakPolarHBondContact O-CB 3.46Å; A120-K124 PolarHBondContact O-N 2.96Å; S121-K124 PolarHBondContact O-N 2.8Å; I122-K124 VanDerWaalsContact C-N 3.28Å; I122-K124 PolarHBondContact O-N 3.46Å; K124-W126 PolarHBondContact O-N 3Å; K124-K127 PolarHBondContact O-N 3.33Å; K124-E128 PolarHBondContact O-N 3.47Å
125K98.1Very high95.8Very high2 Ų242.6 Ų42.61%0.00923%0.232CC..Hα-helixtrans-53.5-52.1174.4-177-167.471162.30111Y30 Y34 E68 S121 I122 K127 E128 R129 D247Y30-K125 HydrophobicContact CE2-CG 4.37Å; Y34-K125 HydrophobicContact CD2-CD 3.74Å; Y34-K125 HydrophobicContact CD2-CG 4.26Å; Y34-K125 HydrophobicContact CE2-CD 4.1Å; Y34-K125 HydrophobicContact CG-CD 4.45Å; E68-K125 IonicContact OE1-NZ 3.24Å; E68-K125 PolarHBondContact OE1-NZ 3.4Å; E68-K125 WeakPolarHBondContact OE2-CE 3.39Å; E68-K125 IonicContact OE2-NZ 3.26Å; E68-K125 PolarHBondContact OE2-NZ 3.46Å; S121-K125 PolarHBondContact O-N 3.06Å; I122-K125 WeakPolarHBondContact O-CB 3.3Å; I122-K125 PolarHBondContact O-N 2.95Å; I122-K125 VanDerWaalsContact O-N 3.16Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.08Å; K125-E128 PolarHBondContact O-N 3.46Å; K125-R129 PolarHBondContact O-N 3.17Å; K125-D247 IonicContact NZ-OD2 2.69Å; K125-D247 PolarHBondContact NZ-OD2 2.94Å
126W98.3Very high96.2Very high8 Ų839.5 Ų39.53%0.0320%0.2CC..Hα-helixtrans-68.4-31-179.5-73106.4000113.1E68 F72 W75 I122 S123 K124 R129 E130 M244E68-W126 PolarHBondContact OE2-NE1 3.34Å; F72-W126 HydrophobicContact CB-CH2 3.88Å; F72-W126 HydrophobicContact CB-CZ2 3.62Å; F72-W126 HydrophobicContact CB-CZ3 4.43Å; F72-W126 AromaticContact CD2-CH2 3.47Å; F72-W126 HydrophobicContact CD2-CH2 3.47Å; F72-W126 VanDerWaalsContact CD2-CH2 3.47Å; F72-W126 HydrophobicContact CD2-CZ2 4.11Å; F72-W126 AromaticContact CD2-CZ3 3.84Å; F72-W126 HydrophobicContact CD2-CZ3 3.84Å; F72-W126 HydrophobicContact CE2-CH2 4.45Å; F72-W126 HydrophobicContact CG-CH2 4.08Å; F72-W126 HydrophobicContact CG-CZ2 4.27Å; W75-W126 HydrophobicContact CB-CE3 3.87Å; W75-W126 HydrophobicContact CB-CZ3 4.47Å; W75-W126 HydrophobicContact CD2-CE3 4.09Å; W75-W126 AromaticContact CD2-CZ3 3.94Å; W75-W126 HydrophobicContact CD2-CZ3 3.94Å; W75-W126 HydrophobicContact CE3-CE3 4.44Å; W75-W126 AromaticContact CE3-CZ3 3.93Å; W75-W126 HydrophobicContact CE3-CZ3 3.93Å; W75-W126 AromaticContact CG-CE3 3.8Å; W75-W126 HydrophobicContact CG-CE3 3.8Å; W75-W126 HydrophobicContact CG-CZ3 4.16Å; I122-W126 VanDerWaalsContact O-CD1 3.22Å; I122-W126 PolarHBondContact O-N 3.34Å; I122-W126 VanDerWaalsContact O-N 3.08Å; S123-W126 PolarHBondContact O-N 3.16Å; K124-W126 PolarHBondContact O-N 3Å; W126-R129 HydrophobicContact CE3-CB 4.4Å; W126-R129 HydrophobicContact CE3-CG 4.43Å; W126-R129 WeakPolarHBondContact O-CB 3.42Å; W126-R129 PolarHBondContact O-N 3.29Å; W126-E130 PolarHBondContact O-N 3.32Å; W126-M244 HydrophobicContact CH2-CB 4.16Å; W126-M244 HydrophobicContact CZ3-CB 4.12Å; W126-M244 HydrophobicContact CZ3-CG 4.45Å; W126-M244 HydrophobicContact CZ3-SD 4.3Å
127K98Very high96.1Very high97 Ų9739.5 Ų39.542%0.42220%0.196SC..Hα-helixtrans-68.1-41174-171.559.2-179.4176.10112.5S123 K124 K125 R129 E130 I131S123-K127 WeakPolarHBondContact O-CB 3.48Å; S123-K127 PolarHBondContact O-N 2.9Å; K124-K127 PolarHBondContact O-N 3.33Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.08Å; K127-R129 VanDerWaalsContact C-N 3.28Å; K127-R129 PolarHBondContact O-N 3.36Å; K127-E130 WeakPolarHBondContact CD-OE2 3.37Å; K127-E130 IonicContact NZ-OE1 3.44Å; K127-E130 PolarHBondContact NZ-OE1 3.04Å; K127-E130 IonicContact NZ-OE2 3.63Å; K127-E130 PolarHBondContact NZ-OE2 2.93Å; K127-E130 WeakPolarHBondContact O-CB 3.33Å; K127-E130 PolarHBondContact O-N 3.33Å; K127-I131 HydrophobicContact CG-CD1 4.33Å; K127-I131 VanDerWaalsContact O-CG1 3.32Å; K127-I131 WeakPolarHBondContact O-CG1 3.41Å; K127-I131 PolarHBondContact O-N 3.48Å; K127-I131 VanDerWaalsContact O-N 3.11Å
128E98Very high96Very high36 Ų3634.2 Ų34.217%0.16819%0.188CC..Hα-helixtrans-66.8-31.7173.8-67.7-60.4156.200111.9H29 Y30 A33 K124 K125 I131 L132H29-E128 WeakPolarHBondContact CB-OE2 3.4Å; Y30-E128 HydrophobicContact CD2-CB 4.42Å; A33-E128 HydrophobicContact CB-CB 4.03Å; A33-E128 HydrophobicContact CB-CG 3.65Å; K124-E128 PolarHBondContact O-N 3.47Å; K125-E128 PolarHBondContact O-N 3.46Å; E128-I131 PolarHBondContact O-N 3.47Å; E128-L132 WeakPolarHBondContact O-CB 3.34Å; E128-L132 PolarHBondContact O-N 3.47Å
129R97.4Very high95.7Very high0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-61.3-49.9170.9-179.364.2-131.5-178.510.5111.7Y30 W75 K125 W126 K127 I131 L132 D133 E136 E221 M244Y30-R129 HydrophobicContact CD2-CB 4.04Å; Y30-R129 HydrophobicContact CE2-CB 3.8Å; Y30-R129 HydrophobicContact CE2-CG 4.41Å; W75-R129 HydrophobicContact CZ2-CG 4.39Å; K125-R129 PolarHBondContact O-N 3.17Å; W126-R129 HydrophobicContact CE3-CB 4.4Å; W126-R129 HydrophobicContact CE3-CG 4.43Å; W126-R129 WeakPolarHBondContact O-CB 3.42Å; W126-R129 PolarHBondContact O-N 3.29Å; K127-R129 VanDerWaalsContact C-N 3.28Å; K127-R129 PolarHBondContact O-N 3.36Å; R129-I131 VanDerWaalsContact C-N 3.27Å; R129-I131 PolarHBondContact O-N 3.27Å; R129-L132 WeakPolarHBondContact O-CA 3.44Å; R129-L132 WeakPolarHBondContact O-CB 3.28Å; R129-L132 PolarHBondContact O-N 3.22Å; R129-D133 IonicContact CZ-OD1 3.24Å; R129-D133 IonicContact NE-OD1 3.71Å; R129-D133 PolarHBondContact NE-OD1 3.46Å; R129-D133 IonicContact NE-OD2 3.12Å; R129-D133 PolarHBondContact NE-OD2 3.23Å; R129-D133 IonicContact NH2-OD1 2.71Å; R129-D133 PolarHBondContact NH2-OD1 2.93Å; R129-D133 PolarHBondContact O-N 3.31Å; R129-E136 IonicContact NH2-OE2 3.18Å; R129-E136 PolarHBondContact NH2-OE2 2.85Å; R129-E221 IonicContact CZ-OE2 3.53Å; R129-E221 VanDerWaalsContact NH1-CD 3.3Å; R129-E221 IonicContact NH1-OE1 2.72Å; R129-E221 PolarHBondContact NH1-OE1 2.95Å; R129-E221 IonicContact NH1-OE2 3.46Å; R129-E221 PolarHBondContact NH1-OE2 2.95Å; R129-E221 IonicContact NH2-OE2 3.53Å; R129-M244 VanDerWaalsContact CD-SD 3.58Å; R129-M244 HydrophobicContact CG-SD 4.01Å
130E96.9Very high95.3Very high38 Ų3832.9 Ų32.918%0.17819%0.185CC..Hα-helixtrans-55-42.7177-168-163.3132.200111.8H78 W126 K127 D133 D134H78-E130 IonicContact CE1-OE1 3.3Å; H78-E130 WeakPolarHBondContact ND1-CG 3.33Å; H78-E130 IonicContact ND1-OE1 2.82Å; H78-E130 IonicContact NE2-OE1 2.68Å; W126-E130 PolarHBondContact O-N 3.32Å; K127-E130 WeakPolarHBondContact CD-OE2 3.37Å; K127-E130 IonicContact NZ-OE1 3.44Å; K127-E130 PolarHBondContact NZ-OE1 3.04Å; K127-E130 IonicContact NZ-OE2 3.63Å; K127-E130 PolarHBondContact NZ-OE2 2.93Å; K127-E130 WeakPolarHBondContact O-CB 3.33Å; K127-E130 PolarHBondContact O-N 3.33Å; E130-D133 PolarHBondContact O-N 3.05Å; E130-D134 PolarHBondContact O-N 3Å
131I96.9Very high94.9Very high47 Ų4733.9 Ų33.924%0.24119%0.193CC..Hα-helixtrans-69-37.4177.7-63163.9000111.5K127 E128 R129 D133 D134 V135K127-I131 HydrophobicContact CG-CD1 4.33Å; K127-I131 VanDerWaalsContact O-CG1 3.32Å; K127-I131 WeakPolarHBondContact O-CG1 3.41Å; K127-I131 PolarHBondContact O-N 3.48Å; K127-I131 VanDerWaalsContact O-N 3.11Å; E128-I131 PolarHBondContact O-N 3.47Å; R129-I131 VanDerWaalsContact C-N 3.27Å; R129-I131 PolarHBondContact O-N 3.27Å; I131-D133 VanDerWaalsContact C-N 3.34Å; I131-D134 PolarHBondContact O-N 2.8Å; I131-V135 PolarHBondContact O-N 3.22Å
132L96.2Very high94.3Very high0 Ų037.3 Ų37.30%021%0.207CC..Hα-helixtrans-63.5-41.1174.2174.959.1000111L23 R26 I27 Y30 E128 R129 D134 V135 E136L23-L132 HydrophobicContact CD1-CD1 3.91Å; R26-L132 HydrophobicContact CB-CD1 3.88Å; I27-L132 HydrophobicContact CG1-CD1 3.81Å; I27-L132 HydrophobicContact CG1-CD2 4.33Å; Y30-L132 HydrophobicContact CD1-CD2 3.81Å; Y30-L132 HydrophobicContact CG-CD2 3.98Å; E128-L132 WeakPolarHBondContact O-CB 3.34Å; E128-L132 PolarHBondContact O-N 3.47Å; R129-L132 WeakPolarHBondContact O-CA 3.44Å; R129-L132 WeakPolarHBondContact O-CB 3.28Å; R129-L132 PolarHBondContact O-N 3.22Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 2.76Å; L132-V135 PolarHBondContact O-N 3.01Å; L132-E136 VanDerWaalsContact O-CB 3.29Å; L132-E136 WeakPolarHBondContact O-CB 3.42Å; L132-E136 PolarHBondContact O-N 3.03Å
133D95.1Very high93.2Very high5 Ų543.9 Ų43.93%0.02725%0.25CC..Hα-helixtrans-60.5-36.1177.9-66.6-45.9000113W75 Y79 R129 E130 I131 S137W75-D133 PolarHBondContact NE1-OD2 3.5Å; Y79-D133 HydrophobicContact CD2-CB 4.06Å; Y79-D133 HydrophobicContact CE2-CB 4.21Å; R129-D133 IonicContact CZ-OD1 3.24Å; R129-D133 IonicContact NE-OD1 3.71Å; R129-D133 PolarHBondContact NE-OD1 3.46Å; R129-D133 IonicContact NE-OD2 3.12Å; R129-D133 PolarHBondContact NE-OD2 3.23Å; R129-D133 IonicContact NH2-OD1 2.71Å; R129-D133 PolarHBondContact NH2-OD1 2.93Å; R129-D133 PolarHBondContact O-N 3.31Å; E130-D133 PolarHBondContact O-N 3.05Å; I131-D133 VanDerWaalsContact C-N 3.34Å; D133-S137 VanDerWaalsContact O-CB 3.22Å; D133-S137 WeakPolarHBondContact O-CB 3.46Å; D133-S137 PolarHBondContact O-N 3.49Å; D133-S137 PolarHBondContact O-OG 3.3Å
134D93Very high91.8Very high60 Ų6045.5 Ų45.532%0.32125%0.25SC..Hα-helixtrans-64.5-42.4177.1-76.6-0.7000111.7K82 E130 I131 L132 A138K82-D134 WeakPolarHBondContact CE-OD1 3.24Å; K82-D134 IonicContact NZ-OD1 3.48Å; K82-D134 PolarHBondContact NZ-OD1 3.3Å; K82-D134 IonicContact NZ-OD2 2.74Å; K82-D134 PolarHBondContact NZ-OD2 3.14Å; E130-D134 PolarHBondContact O-N 3Å; I131-D134 PolarHBondContact O-N 2.8Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 2.76Å; D134-A138 PolarHBondContact O-N 2.92Å; D134-A138 VanDerWaalsContact O-N 3.1Å
135V93.1Very high89.8Confident28 Ų2846.5 Ų46.517%0.1727%0.266CS..Hα-helixtrans-74.7-38.9178.3175.10000111.6H22 L23 R26 I131 L132 A138 Y139H22-V135 VanDerWaalsContact CD2-CG1 3.44Å; H22-V135 WeakPolarHBondContact CD2-CG1 3.14Å; L23-V135 HydrophobicContact CB-CG1 4.39Å; L23-V135 HydrophobicContact CD1-CG1 3.96Å; R26-V135 HydrophobicContact CG-CB 4.14Å; R26-V135 HydrophobicContact CG-CG1 4.21Å; R26-V135 HydrophobicContact CG-CG2 3.79Å; I131-V135 PolarHBondContact O-N 3.22Å; L132-V135 PolarHBondContact O-N 3.01Å; V135-A138 PolarHBondContact O-N 3.31Å; V135-Y139 WeakPolarHBondContact O-CB 3.37Å; V135-Y139 PolarHBondContact O-N 3.43Å
136E92.7Very high87.5Confident1 Ų154 Ų541%0.00531%0.306CS..Hα-helixtrans-58.5-47.5172.5176.8178.6122.400110.5R129 L132 A138 Y139 I140 R224 I225 L228 I240R129-E136 IonicContact NH2-OE2 3.18Å; R129-E136 PolarHBondContact NH2-OE2 2.85Å; L132-E136 VanDerWaalsContact O-CB 3.29Å; L132-E136 WeakPolarHBondContact O-CB 3.42Å; L132-E136 PolarHBondContact O-N 3.03Å; E136-A138 PolarHBondContact O-N 3.38Å; E136-Y139 PolarHBondContact O-N 3.36Å; E136-I140 HydrophobicContact CG-CD1 3.76Å; E136-I140 VanDerWaalsContact O-CG1 3.24Å; E136-I140 WeakPolarHBondContact O-CG1 3.33Å; E136-I140 PolarHBondContact O-N 3.34Å; E136-R224 IonicContact OE2-NH2 3.56Å; E136-R224 PolarHBondContact OE2-NH2 2.84Å; E136-I225 HydrophobicContact CG-CG1 3.89Å; E136-I225 HydrophobicContact CG-CG2 4.36Å; E136-I225 WeakPolarHBondContact OE2-CG1 3.32Å; E136-L228 HydrophobicContact CG-CD1 4.48Å; E136-L228 WeakPolarHBondContact OE1-CD1 3.43Å; E136-I240 WeakPolarHBondContact OE1-CD1 3.42Å
137S91.4Very high85.7Confident30 Ų3056.3 Ų56.321%0.2132%0.321CS..Hα-helixtrans-62.9-42.6179-60.90000112.2D133 I140 A141D133-S137 VanDerWaalsContact O-CB 3.22Å; D133-S137 WeakPolarHBondContact O-CB 3.46Å; D133-S137 PolarHBondContact O-N 3.49Å; D133-S137 PolarHBondContact O-OG 3.3Å; S137-I140 PolarHBondContact O-N 3.43Å; S137-A141 WeakPolarHBondContact O-CB 3.47Å; S137-A141 PolarHBondContact O-N 2.82Å; S137-A141 VanDerWaalsContact O-N 3.09Å
138A90.6Very high84Confident57 Ų5759.2 Ų59.247%0.47134%0.341SS..Hα-helixtrans-62.1-46.8175.200000111.4D134 V135 E136 I140 A141 E142D134-A138 PolarHBondContact O-N 2.92Å; D134-A138 VanDerWaalsContact O-N 3.1Å; V135-A138 PolarHBondContact O-N 3.31Å; E136-A138 PolarHBondContact O-N 3.38Å; A138-I140 VanDerWaalsContact C-N 3.33Å; A138-I140 PolarHBondContact O-N 2.88Å; A138-A141 PolarHBondContact O-N 3.47Å; A138-E142 PolarHBondContact O-N 2.84Å
139Y89.7Confident82.7Confident15 Ų1558.7 Ų58.76%0.05934%0.34CS..Hα-helixtrans-61.9-38.8178177.8-116.1000112.5P20 L23 V135 E136 R144 I225 T229P20-Y139 VanDerWaalsContact CD-CE2 3.42Å; P20-Y139 HydrophobicContact CG-CD2 3.9Å; P20-Y139 HydrophobicContact CG-CE2 3.75Å; L23-Y139 HydrophobicContact CD2-CD1 3.7Å; L23-Y139 HydrophobicContact CD2-CE1 3.94Å; L23-Y139 HydrophobicContact CD2-CG 4.04Å; V135-Y139 WeakPolarHBondContact O-CB 3.37Å; V135-Y139 PolarHBondContact O-N 3.43Å; E136-Y139 PolarHBondContact O-N 3.36Å; Y139-R144 VanDerWaalsContact CG-NH2 3.31Å; Y139-R144 VanDerWaalsContact CZ-CZ 3.49Å; Y139-R144 PolarHBondContact O-NH2 3.36Å; Y139-I225 HydrophobicContact CD1-CG2 3.49Å; Y139-I225 VanDerWaalsContact CD1-CG2 3.49Å; Y139-I225 HydrophobicContact CE1-CG2 3.69Å; Y139-T229 HydrophobicContact CD1-CG2 4.45Å; Y139-T229 HydrophobicContact CE1-CG2 4.29Å
140I88.6Confident82.1Confident33 Ų3363.2 Ų63.217%0.16936%0.364CS..Hα-helixtrans-66.7-36.5176.8-69.8164.7000111.4E136 S137 A138 E142 L228 T229E136-I140 HydrophobicContact CG-CD1 3.76Å; E136-I140 VanDerWaalsContact O-CG1 3.24Å; E136-I140 WeakPolarHBondContact O-CG1 3.33Å; E136-I140 PolarHBondContact O-N 3.34Å; S137-I140 PolarHBondContact O-N 3.43Å; A138-I140 VanDerWaalsContact C-N 3.33Å; A138-I140 PolarHBondContact O-N 2.88Å; I140-E142 VanDerWaalsContact C-N 3.31Å; I140-E142 PolarHBondContact O-N 3.16Å; I140-L228 HydrophobicContact CD1-CB 3.88Å; I140-L228 HydrophobicContact CD1-CD1 4.34Å; I140-T229 HydrophobicContact CG1-CG2 3.81Å
141A87Confident81.6Confident81 Ų8164.3 Ų64.367%0.66937%0.368SS*.Hα-helixtrans-75.9-14.3-178.200000114.3S137 A138S137-A141 WeakPolarHBondContact O-CB 3.47Å; S137-A141 PolarHBondContact O-N 2.82Å; S137-A141 VanDerWaalsContact O-N 3.09Å; A138-A141 PolarHBondContact O-N 3.47Å
142E84.5Confident81.2Confident89 Ų8966.8 Ų66.842%0.41638%0.379SS..SBendtrans-61.3131.5178.7-74.2176.2-176.100111.6A138 I140 R144A138-E142 PolarHBondContact O-N 2.84Å; I140-E142 VanDerWaalsContact C-N 3.31Å; I140-E142 PolarHBondContact O-N 3.16Å; E142-R144 WeakPolarHBondContact O-CG 3.12Å; E142-R144 PolarHBondContact O-N 3.45Å; E142-R144 VanDerWaalsContact O-N 3.12Å
143P75.3Confident80.8Confident138 Ų13869.4 Ų69.490%0.89639%0.391SS*.  trans-60.6116172.4-21.832.3000110.6
144R69.4Low80.5Confident76 Ų7669.4 Ų69.429%0.28739%0.391SS..  trans-104129.1179.5-65.4-171.3-172.4170.810.3112.2Y139 E142 N146 T229Y139-R144 VanDerWaalsContact CG-NH2 3.31Å; Y139-R144 VanDerWaalsContact CZ-CZ 3.49Å; Y139-R144 PolarHBondContact O-NH2 3.36Å; E142-R144 WeakPolarHBondContact O-CG 3.12Å; E142-R144 PolarHBondContact O-N 3.45Å; E142-R144 VanDerWaalsContact O-N 3.12Å; R144-N146 PolarHBondContact O-N 3.42Å; R144-T229 VanDerWaalsContact CZ-CG2 3.41Å; R144-T229 PolarHBondContact NH1-OG1 2.9Å
145T56.3Low80.5Confident136 Ų13670.1 Ų70.183%0.83439%0.391SS*.  trans-73.593.8165.344.50000109.1V147T145-V147 VanDerWaalsContact C-N 3.29Å; T145-V147 PolarHBondContact O-N 2.92Å
146N49.5Very low80.5Confident160 Ų16075.2 Ų75.286%0.85641%0.411SS*.  trans33.255.3160.1-135.24.3000114.8R144 N148R144-N146 PolarHBondContact O-N 3.42Å; N146-N148 PolarHBondContact O-N 3.01Å
147V59.3Low80.4Confident55 Ų5576.3 Ų76.333%0.33342%0.416SS..  trans-65.9109.5168.9-171.20000104.6T145 V149T145-V147 VanDerWaalsContact C-N 3.29Å; T145-V147 PolarHBondContact O-N 2.92Å; V147-V149 HydrophobicContact CB-CG2 3.86Å; V147-V149 HydrophobicContact CG1-CG2 3.44Å; V147-V149 VanDerWaalsContact CG1-CG2 3.44Å; V147-V149 PolarHBondContact O-N 3.13Å
148N63.9Low80.4Confident158 Ų15876.5 Ų76.585%0.84542%0.415SS*.  trans-68.372.6176-174.714.4000109N146N146-N148 PolarHBondContact O-N 3.01Å
149V70.8Confident80.6Confident26 Ų2677.9 Ų77.916%0.15842%0.418CS..  trans-84.1114.5176.8179.90000106.7V147 K151 L154 T230V147-V149 HydrophobicContact CB-CG2 3.86Å; V147-V149 HydrophobicContact CG1-CG2 3.44Å; V147-V149 VanDerWaalsContact CG1-CG2 3.44Å; V147-V149 PolarHBondContact O-N 3.13Å; V149-K151 PolarHBondContact O-N 2.77Å; V149-L154 HydrophobicContact CG1-CD1 3.11Å; V149-L154 HydrophobicContact CG1-CG 3.76Å; V149-T230 HydrophobicContact CB-CG2 4.06Å; V149-T230 HydrophobicContact CG1-CG2 3.95Å
150N83.3Confident80.9Confident94 Ų9481.7 Ų81.750%0.50344%0.439SS..  trans-73.297.3173.6-176.3-19.4000109.2E152 E153 L154N150-E152 PolarHBondContact O-N 2.76Å; N150-E152 PolarHBondContact OD1-N 3.21Å; N150-E153 HydrophobicContact CB-CB 3.82Å; N150-E153 PolarHBondContact O-N 3.18Å; N150-E153 VanDerWaalsContact O-N 3.1Å; N150-E153 PolarHBondContact OD1-N 3.36Å; N150-E153 VanDerWaalsContact OD1-N 3.15Å; N150-L154 PolarHBondContact O-N 3.17Å
151K86.2Confident81.1Confident61 Ų6180.5 Ų80.527%0.26543%0.433SS..Hα-helixtrans-50.4-41.8179.8179.1174.9176.9168.50112.6V149 K155 L227 L231 E235V149-K151 PolarHBondContact O-N 2.77Å; K151-K155 WeakPolarHBondContact O-CG 3.43Å; K151-K155 PolarHBondContact O-N 2.79Å; K151-L227 HydrophobicContact CG-CD1 3.99Å; K151-L231 HydrophobicContact CD-CD2 4.26Å; K151-E235 IonicContact NZ-OE2 2.83Å
152E89.5Confident81.5Confident99 Ų9978 Ų7846%0.46342%0.416SS..Hα-helixtrans-73.7-34.4-178-66.6-54.7126.800112.5N150 K155 K156N150-E152 PolarHBondContact O-N 2.76Å; N150-E152 PolarHBondContact OD1-N 3.21Å; E152-K155 IonicContact OE1-NZ 3.24Å; E152-K155 PolarHBondContact OE1-NZ 3.4Å; E152-K156 WeakPolarHBondContact O-CG 3.47Å; E152-K156 PolarHBondContact O-N 3.24Å; E152-K156 VanDerWaalsContact O-N 3.11Å
153E88.7Confident82Confident56 Ų5678.4 Ų78.426%0.26242%0.421SS..Hα-helixtrans-68-43.8173.6-172.958.3-155.300111.4L8 N150 K155 K156 Q157L8-E153 VanDerWaalsContact CD2-OE1 3.23Å; L8-E153 WeakPolarHBondContact CD2-OE1 3.44Å; N150-E153 HydrophobicContact CB-CB 3.82Å; N150-E153 PolarHBondContact O-N 3.18Å; N150-E153 VanDerWaalsContact O-N 3.1Å; N150-E153 PolarHBondContact OD1-N 3.36Å; N150-E153 VanDerWaalsContact OD1-N 3.15Å; E153-K155 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 2.8Å; E153-K156 PolarHBondContact O-N 3.08Å; E153-Q157 WeakPolarHBondContact O-CG 3.11Å; E153-Q157 PolarHBondContact O-N 3.14Å; E153-Q157 PolarHBondContact OE1-NE2 3.34Å
154L88.1Confident83.1Confident5 Ų575.2 Ų75.23%0.02640%0.396CS..Hα-helixtrans-61.7-41.6175.4-76.7-167.9000112.4L15 V149 N150 K156 Q157 L158 L226 L227L15-L154 HydrophobicContact CD1-CD2 4.28Å; V149-L154 HydrophobicContact CG1-CD1 3.11Å; V149-L154 HydrophobicContact CG1-CG 3.76Å; N150-L154 PolarHBondContact O-N 3.17Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 3.47Å; L154-Q157 PolarHBondContact O-N 3.06Å; L154-L158 WeakPolarHBondContact O-CB 3.33Å; L154-L158 PolarHBondContact O-N 2.91Å; L154-L226 HydrophobicContact CD1-CB 3.8Å; L154-L227 HydrophobicContact CB-CB 4.47Å; L154-L227 HydrophobicContact CB-CD1 4.29Å; L154-L227 HydrophobicContact CD1-CB 4.22Å
155K92Very high84.3Confident74 Ų7473.2 Ų73.232%0.32239%0.391SS..Hα-helixtrans-58.4-45.7174.2-77.3174.5-179.6172.80111.3K151 E152 E153 Q157 L158 T159 L227K151-K155 WeakPolarHBondContact O-CG 3.43Å; K151-K155 PolarHBondContact O-N 2.79Å; E152-K155 IonicContact OE1-NZ 3.24Å; E152-K155 PolarHBondContact OE1-NZ 3.4Å; E153-K155 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 2.8Å; K155-Q157 PolarHBondContact O-N 3.07Å; K155-L158 PolarHBondContact O-N 2.92Å; K155-T159 WeakPolarHBondContact O-CB 3.49Å; K155-T159 PolarHBondContact O-N 2.97Å; K155-T159 PolarHBondContact O-OG1 2.93Å; K155-L227 HydrophobicContact CG-CD1 4.02Å; K155-L227 HydrophobicContact CG-CD2 3.98Å
156K92.9Very high86.1Confident136 Ų13671.1 Ų71.159%0.59137%0.372SS*.Hα-helixtrans-61.8-43.6177.6-73.9173.8-174.91750112.1E152 E153 L154 T159 N160E152-K156 WeakPolarHBondContact O-CG 3.47Å; E152-K156 PolarHBondContact O-N 3.24Å; E152-K156 VanDerWaalsContact O-N 3.11Å; E153-K156 PolarHBondContact O-N 3.08Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 3.47Å; K156-T159 PolarHBondContact O-N 3.25Å; K156-N160 WeakPolarHBondContact O-CB 3.22Å; K156-N160 PolarHBondContact O-N 3.41Å
157Q90.6Very high88.3Confident23 Ų2366.5 Ų66.511%0.10736%0.355CS..Hα-helixtrans-61.2-48.8176.4-71.2174.82.700110.8E153 L154 K155 T159 N160 T161 Q223E153-Q157 WeakPolarHBondContact O-CG 3.11Å; E153-Q157 PolarHBondContact O-N 3.14Å; E153-Q157 PolarHBondContact OE1-NE2 3.34Å; L154-Q157 PolarHBondContact O-N 3.06Å; K155-Q157 PolarHBondContact O-N 3.07Å; Q157-T159 PolarHBondContact O-N 2.78Å; Q157-N160 PolarHBondContact O-N 2.85Å; Q157-N160 VanDerWaalsContact O-N 3.17Å; Q157-T161 PolarHBondContact O-N 2.78Å; Q157-T161 PolarHBondContact O-OG1 3.11Å; Q157-Q223 PolarHBondContact O-OE1 2.83Å
158L92.9Very high90.1Very high34 Ų3465.3 Ų65.318%0.17835%0.346CS..Hα-helixtrans-60.8-42.5178-173.858000112.4L154 K155 T161 G162 A220 Q223 R224 L227L154-L158 WeakPolarHBondContact O-CB 3.33Å; L154-L158 PolarHBondContact O-N 2.91Å; K155-L158 PolarHBondContact O-N 2.92Å; L158-T161 PolarHBondContact O-N 3.28Å; L158-G162 PolarHBondContact O-N 3.14Å; L158-A220 HydrophobicContact CD1-CB 4.14Å; L158-Q223 VanDerWaalsContact CA-OE1 3.28Å; L158-Q223 HydrophobicContact CB-CB 4.5Å; L158-Q223 HydrophobicContact CD1-CB 4.09Å; L158-R224 HydrophobicContact CD1-CB 4.34Å; L158-R224 HydrophobicContact CD2-CB 4.27Å; L158-R224 HydrophobicContact CD2-CG 4.36Å; L158-L227 HydrophobicContact CD2-CD2 3.8Å
159T94.4Very high91.6Very high87 Ų8759 Ų5953%0.53431%0.312SS..Hα-helixtrans-62.2-44.8174.3-61.30000111.6K155 K156 Q157 G162 N163K155-T159 WeakPolarHBondContact O-CB 3.49Å; K155-T159 PolarHBondContact O-N 2.97Å; K155-T159 PolarHBondContact O-OG1 2.93Å; K156-T159 PolarHBondContact O-N 3.25Å; Q157-T159 PolarHBondContact O-N 2.78Å; T159-G162 PolarHBondContact O-N 3.37Å; T159-N163 VanDerWaalsContact O-CG 3.27Å; T159-N163 PolarHBondContact O-N 3.31Å
160N94.9Very high92.7Very high94 Ų9462.1 Ų62.150%0.50333%0.328SS..Hα-helixtrans-63.9-44.9178.7-17574000111.8K156 Q157 G162 N163 N164K156-N160 WeakPolarHBondContact O-CB 3.22Å; K156-N160 PolarHBondContact O-N 3.41Å; Q157-N160 PolarHBondContact O-N 2.85Å; Q157-N160 VanDerWaalsContact O-N 3.17Å; N160-G162 VanDerWaalsContact C-N 3.33Å; N160-G162 PolarHBondContact O-N 2.74Å; N160-N163 PolarHBondContact O-N 2.83Å; N160-N164 PolarHBondContact O-N 3.44Å; N160-N164 VanDerWaalsContact O-N 3.07Å
161T94.6Very high93.3Very high9 Ų960.2 Ų60.26%0.05532%0.318CS..Hα-helixtrans-62.7-41.3174.8-49.80000111.1Q157 L158 N163 N164 I165 E219 A220 Q223Q157-T161 PolarHBondContact O-N 2.78Å; Q157-T161 PolarHBondContact O-OG1 3.11Å; L158-T161 PolarHBondContact O-N 3.28Å; T161-N163 PolarHBondContact O-N 2.94Å; T161-N164 WeakPolarHBondContact O-CB 3.33Å; T161-N164 PolarHBondContact O-N 2.99Å; T161-N164 VanDerWaalsContact O-N 3.16Å; T161-I165 HydrophobicContact CG2-CD1 4.21Å; T161-I165 WeakPolarHBondContact O-CG1 3.29Å; T161-I165 PolarHBondContact O-N 3Å; T161-E219 HydrophobicContact CG2-CB 4.31Å; T161-E219 HydrophobicContact CG2-CG 4.06Å; T161-A220 HydrophobicContact CG2-CB 3.86Å; T161-Q223 VanDerWaalsContact OG1-CD 3.3Å; T161-Q223 PolarHBondContact OG1-NE2 3.32Å; T161-Q223 PolarHBondContact OG1-OE1 3.43Å
162G94.5Very high93.8Very high29 Ų2957.4 Ų57.430%0.29931%0.306SS..Hα-helixtrans-59.2-43.2175.500000113L158 T159 N160 N164 I165 E166L158-G162 PolarHBondContact O-N 3.14Å; T159-G162 PolarHBondContact O-N 3.37Å; N160-G162 VanDerWaalsContact C-N 3.33Å; N160-G162 PolarHBondContact O-N 2.74Å; G162-N164 VanDerWaalsContact C-N 3.33Å; G162-N164 PolarHBondContact O-N 2.99Å; G162-I165 PolarHBondContact O-N 3.39Å; G162-E166 PolarHBondContact O-N 3.2Å
163N95.8Very high94Very high97 Ų9756.6 Ų56.652%0.51930%0.301SS..Hα-helixtrans-63.6-39.4174.7-67-16.6000111.9T159 N160 T161 E166 A167T159-N163 VanDerWaalsContact O-CG 3.27Å; T159-N163 PolarHBondContact O-N 3.31Å; N160-N163 PolarHBondContact O-N 2.83Å; T161-N163 PolarHBondContact O-N 2.94Å; N163-E166 PolarHBondContact O-N 2.96Å; N163-A167 PolarHBondContact O-N 2.97Å
164N96.7Very high94.3Very high71 Ų7159 Ų5938%0.3831%0.312SS..Hα-helixtrans-65.9-40.1175.9-68-13.7000111.9N160 T161 G162 E166 A167 Q168 L216N160-N164 PolarHBondContact O-N 3.44Å; N160-N164 VanDerWaalsContact O-N 3.07Å; T161-N164 WeakPolarHBondContact O-CB 3.33Å; T161-N164 PolarHBondContact O-N 2.99Å; T161-N164 VanDerWaalsContact O-N 3.16Å; G162-N164 VanDerWaalsContact C-N 3.33Å; G162-N164 PolarHBondContact O-N 2.99Å; N164-E166 VanDerWaalsContact C-N 3.33Å; N164-A167 PolarHBondContact O-N 3.44Å; N164-Q168 VanDerWaalsContact O-CB 3.25Å; N164-Q168 WeakPolarHBondContact O-CB 3.34Å; N164-Q168 PolarHBondContact O-N 3.18Å; N164-L216 HydrophobicContact CB-CD1 4.28Å; N164-L216 HydrophobicContact CB-CD2 4.33Å
165I95.4Very high94.7Very high34 Ų3459.8 Ų59.817%0.17432%0.316CS..Hα-helixtrans-60.6-44.9174.4-70.5165.8000110.3T161 G162 Q168 L169 L213 L216 M217 A220T161-I165 HydrophobicContact CG2-CD1 4.21Å; T161-I165 WeakPolarHBondContact O-CG1 3.29Å; T161-I165 PolarHBondContact O-N 3Å; G162-I165 PolarHBondContact O-N 3.39Å; I165-Q168 PolarHBondContact O-N 2.9Å; I165-L169 WeakPolarHBondContact O-CB 3.38Å; I165-L169 PolarHBondContact O-N 3.24Å; I165-L213 HydrophobicContact CG2-CD1 4.03Å; I165-L216 HydrophobicContact CG1-CB 3.7Å; I165-M217 HydrophobicContact CD1-CG 4.15Å; I165-M217 HydrophobicContact CG1-CG 4.32Å; I165-M217 HydrophobicContact CG2-CG 4.22Å; I165-A220 HydrophobicContact CD1-CB 3.55Å
166E94.4Very high94.8Very high92 Ų9256.9 Ų56.943%0.4330%0.304SS..Hα-helixtrans-65-43-179.9-171.2163.8149.700112.3G162 N163 N164 Q168 L169 N170 K246G162-E166 PolarHBondContact O-N 3.2Å; N163-E166 PolarHBondContact O-N 2.96Å; N164-E166 VanDerWaalsContact C-N 3.33Å; E166-Q168 VanDerWaalsContact C-N 3.35Å; E166-L169 PolarHBondContact O-N 3.36Å; E166-N170 PolarHBondContact O-N 3.38Å; E166-N170 VanDerWaalsContact O-N 3.14Å; E166-N170 PolarHBondContact O-ND2 2.98Å; E166-K246 IonicContact OE2-NZ 2.7Å; E166-K246 PolarHBondContact OE2-NZ 2.85Å
167A96.4Very high94.8Very high62 Ų6253.1 Ų53.151%0.51230%0.295SS..Hα-helixtrans-60.9-44.6173.300000111.7N163 N164 L169 N170 N171N163-A167 PolarHBondContact O-N 2.97Å; N164-A167 PolarHBondContact O-N 3.44Å; A167-L169 PolarHBondContact O-N 3.44Å; A167-N170 PolarHBondContact O-N 3.15Å; A167-N171 PolarHBondContact O-N 2.99Å
168Q96.5Very high95Very high30 Ų3056.8 Ų56.814%0.1431%0.31CS..Hα-helixtrans-65.8-37.9178.8-172.96420.300112.2N164 I165 E166 N170 N171 V172 E209 L213 L216N164-Q168 VanDerWaalsContact O-CB 3.25Å; N164-Q168 WeakPolarHBondContact O-CB 3.34Å; N164-Q168 PolarHBondContact O-N 3.18Å; I165-Q168 PolarHBondContact O-N 2.9Å; E166-Q168 VanDerWaalsContact C-N 3.35Å; Q168-N170 VanDerWaalsContact C-N 3.32Å; Q168-N170 PolarHBondContact O-N 2.66Å; Q168-N171 WeakPolarHBondContact O-CB 3.27Å; Q168-N171 PolarHBondContact O-N 3.22Å; Q168-V172 WeakPolarHBondContact O-CG2 3.4Å; Q168-V172 PolarHBondContact O-N 3.45Å; Q168-E209 PolarHBondContact NE2-O 3.33Å; Q168-E209 PolarHBondContact NE2-OE2 3.04Å; Q168-L213 HydrophobicContact CB-CD1 3.98Å; Q168-L213 HydrophobicContact CG-CB 3.69Å; Q168-L213 HydrophobicContact CG-CD1 3.87Å; Q168-L213 HydrophobicContact CG-CG 4.36Å; Q168-L216 HydrophobicContact CB-CD1 4Å; Q168-L216 HydrophobicContact CG-CD1 4.2Å
169L94.6Very high95.1Very high27 Ų2755.2 Ų55.214%0.14130%0.302CS..Hα-helixtrans-62.7-40.4175.9-175.167.1000111.3I165 E166 A167 V172 K173 L213 N250I165-L169 WeakPolarHBondContact O-CB 3.38Å; I165-L169 PolarHBondContact O-N 3.24Å; E166-L169 PolarHBondContact O-N 3.36Å; A167-L169 PolarHBondContact O-N 3.44Å; L169-V172 PolarHBondContact O-N 3.14Å; L169-K173 WeakPolarHBondContact O-CG 3.27Å; L169-K173 PolarHBondContact O-N 3.35Å; L169-L213 HydrophobicContact CD1-CD2 4.08Å; L169-N250 WeakPolarHBondContact CD2-OD1 3.39Å
170N94.6Very high95Very high90 Ų9051.9 Ų51.948%0.48128%0.281SS..Hα-helixtrans-65.7-40.1174.8-69.3-31.2000111.9E166 A167 Q168 K173 E174E166-N170 PolarHBondContact O-N 3.38Å; E166-N170 VanDerWaalsContact O-N 3.14Å; E166-N170 PolarHBondContact O-ND2 2.98Å; A167-N170 PolarHBondContact O-N 3.15Å; Q168-N170 VanDerWaalsContact C-N 3.32Å; Q168-N170 PolarHBondContact O-N 2.66Å; N170-K173 PolarHBondContact O-N 3.19Å; N170-E174 PolarHBondContact O-N 3.37Å; N170-E174 VanDerWaalsContact O-N 3.12Å
171N96Very high94.9Very high54 Ų5452.2 Ų52.229%0.28928%0.279SS..Hα-helixtrans-60.5-47.4173.8-174.944.2000111.6A167 Q168 K173 E174 L175 E209A167-N171 PolarHBondContact O-N 2.99Å; Q168-N171 WeakPolarHBondContact O-CB 3.27Å; Q168-N171 PolarHBondContact O-N 3.22Å; N171-K173 PolarHBondContact O-N 3.12Å; N171-E174 PolarHBondContact O-N 3.01Å; N171-L175 WeakPolarHBondContact O-CG 3.39Å; N171-L175 PolarHBondContact O-N 3.27Å; N171-E209 PolarHBondContact ND2-OE2 2.81Å
172V95.9Very high94.9Very high3 Ų352.5 Ų52.52%0.01828%0.283CS..Hα-helixtrans-57.5-46.5176.2165.50000111Q168 L169 E174 L175 E176 L206 E209 L210 L213Q168-V172 WeakPolarHBondContact O-CG2 3.4Å; Q168-V172 PolarHBondContact O-N 3.45Å; L169-V172 PolarHBondContact O-N 3.14Å; V172-E174 VanDerWaalsContact C-N 3.31Å; V172-E174 PolarHBondContact O-N 2.79Å; V172-L175 CarbonylContact O-C 3.12Å; V172-L175 PolarHBondContact O-N 3.37Å; V172-L175 VanDerWaalsContact O-N 3.14Å; V172-E176 HydrophobicContact CG1-CG 4.22Å; V172-E176 VanDerWaalsContact O-CG 3.32Å; V172-E176 WeakPolarHBondContact O-CG 3.14Å; V172-E176 PolarHBondContact O-N 2.98Å; V172-L206 HydrophobicContact CG1-CD1 4.06Å; V172-E209 HydrophobicContact CG2-CB 4.29Å; V172-L210 HydrophobicContact CG1-CD2 3.52Å; V172-L210 HydrophobicContact CG1-CG 4.09Å; V172-L210 HydrophobicContact CG2-CD2 4.2Å; V172-L210 HydrophobicContact CG2-CG 4.44Å; V172-L213 HydrophobicContact CG2-CB 4.45Å; V172-L213 HydrophobicContact CG2-CD2 4.23Å
173K93.7Very high94.8Very high81 Ų8151.2 Ų51.235%0.35227%0.269SS..Hα-helixtrans-59.4-39.2177.5-74.5177178.6-177.50112.9L169 N170 N171 S177L169-K173 WeakPolarHBondContact O-CG 3.27Å; L169-K173 PolarHBondContact O-N 3.35Å; N170-K173 PolarHBondContact O-N 3.19Å; N171-K173 PolarHBondContact O-N 3.12Å; K173-S177 PolarHBondContact O-N 3.42Å
174E95.1Very high94.5Very high106 Ų10647.9 Ų47.950%0.49525%0.251SS..Hα-helixtrans-65.8-43.6175.5-170.1-175.4150.500111.4N170 N171 V172 S177 K178N170-E174 PolarHBondContact O-N 3.37Å; N170-E174 VanDerWaalsContact O-N 3.12Å; N171-E174 PolarHBondContact O-N 3.01Å; V172-E174 VanDerWaalsContact C-N 3.31Å; V172-E174 PolarHBondContact O-N 2.79Å; E174-S177 WeakPolarHBondContact O-CB 3.5Å; E174-S177 PolarHBondContact O-N 3.04Å; E174-K178 PolarHBondContact O-N 2.96Å; E174-K178 VanDerWaalsContact O-N 3.07Å; E174-K178 WeakPolarHBondContact OE1-CE 3.38Å; E174-K178 IonicContact OE1-NZ 2.63Å; E174-K178 PolarHBondContact OE1-NZ 3.39Å
175L96.5Very high94.3Very high23 Ų2349.9 Ų49.912%0.1226%0.256CS..Hα-helixtrans-67.3-36.9177.8-69.8168.6000112.7N171 V172 S177 K178 A179 T205 L206 E209N171-L175 WeakPolarHBondContact O-CG 3.39Å; N171-L175 PolarHBondContact O-N 3.27Å; V172-L175 CarbonylContact O-C 3.12Å; V172-L175 PolarHBondContact O-N 3.37Å; V172-L175 VanDerWaalsContact O-N 3.14Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 2.87Å; L175-K178 HydrophobicContact CD2-CD 4.41Å; L175-K178 PolarHBondContact O-N 3.19Å; L175-A179 VanDerWaalsContact O-CB 3.27Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 2.96Å; L175-T205 HydrophobicContact CD1-CG2 4.4Å; L175-T205 HydrophobicContact CD2-CG2 4.03Å; L175-L206 HydrophobicContact CB-CD1 4.09Å; L175-E209 HydrophobicContact CD1-CB 3.72Å; L175-E209 HydrophobicContact CD1-CG 3.49Å; L175-E209 VanDerWaalsContact CD1-CG 3.49Å
176E94.4Very high94.2Very high13 Ų1349.6 Ų49.66%0.06125%0.254CS..Hα-helixtrans-57.2-45.6171.7-75.3177.5159.100110.7F42 V172 K178 A179 I180 L206 S252F42-E176 HydrophobicContact CD2-CB 4.38Å; F42-E176 HydrophobicContact CD2-CG 4.14Å; V172-E176 HydrophobicContact CG1-CG 4.22Å; V172-E176 VanDerWaalsContact O-CG 3.32Å; V172-E176 WeakPolarHBondContact O-CG 3.14Å; V172-E176 PolarHBondContact O-N 2.98Å; E176-K178 PolarHBondContact O-N 3.03Å; E176-A179 PolarHBondContact O-N 2.54Å; E176-I180 WeakPolarHBondContact O-CB 3.3Å; E176-I180 WeakPolarHBondContact O-CD1 3.49Å; E176-I180 WeakPolarHBondContact O-CG1 3.49Å; E176-I180 PolarHBondContact O-N 3.08Å; E176-L206 HydrophobicContact CG-CD1 3.61Å; E176-L206 HydrophobicContact CG-CD2 3.93Å; E176-L206 HydrophobicContact CG-CG 4.43Å; E176-S252 VanDerWaalsContact OE2-CB 3.3Å; E176-S252 WeakPolarHBondContact OE2-CB 3.47Å; E176-S252 PolarHBondContact OE2-OG 3.39Å
177S92.7Very high94Very high57 Ų5747.2 Ų47.240%0.39924%0.244SC..Hα-helixtrans-61.5-44.3175.9-168.30000112.2K173 E174 L175 I180 Q181K173-S177 PolarHBondContact O-N 3.42Å; E174-S177 WeakPolarHBondContact O-CB 3.5Å; E174-S177 PolarHBondContact O-N 3.04Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 2.87Å; S177-I180 PolarHBondContact O-N 3.26Å; S177-Q181 VanDerWaalsContact O-CG 3.27Å; S177-Q181 WeakPolarHBondContact O-CG 3.31Å; S177-Q181 PolarHBondContact O-N 2.92Å; S177-Q181 PolarHBondContact OG-NE2 3.27Å
178K94.9Very high93.6Very high100 Ų10049.9 Ų49.944%0.43525%0.249SC..Hα-helixtrans-63.7-43.4177-70.8173.5-175.1165.20111.9E174 L175 E176 Q181 A182E174-K178 PolarHBondContact O-N 2.96Å; E174-K178 VanDerWaalsContact O-N 3.07Å; E174-K178 WeakPolarHBondContact OE1-CE 3.38Å; E174-K178 IonicContact OE1-NZ 2.63Å; E174-K178 PolarHBondContact OE1-NZ 3.39Å; L175-K178 HydrophobicContact CD2-CD 4.41Å; L175-K178 PolarHBondContact O-N 3.19Å; E176-K178 PolarHBondContact O-N 3.03Å; K178-Q181 PolarHBondContact O-N 3.45Å; K178-A182 PolarHBondContact O-N 2.98Å
179A95.5Very high93.4Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-60.9-46.3176.900000111.7F42 L175 E176 Q181 A182 A183 A202 Y203 L206F42-A179 HydrophobicContact CE2-CB 3.77Å; F42-A179 HydrophobicContact CZ-CB 3.8Å; L175-A179 VanDerWaalsContact O-CB 3.27Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 2.96Å; E176-A179 PolarHBondContact O-N 2.54Å; A179-Q181 VanDerWaalsContact C-N 3.33Å; A179-Q181 PolarHBondContact O-N 2.94Å; A179-A182 PolarHBondContact O-N 3.48Å; A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.4Å; A179-A183 PolarHBondContact O-N 2.81Å; A179-A202 HydrophobicContact CB-CB 4.2Å; A179-Y203 HydrophobicContact CB-CD1 3.87Å; A179-Y203 HydrophobicContact CB-CE1 4.09Å; A179-L206 HydrophobicContact CB-CD2 4.08Å
180I92.5Very high93.2Very high17 Ų1758.5 Ų58.59%0.08729%0.285CS..Hα-helixtrans-58.8-44.2173.9-77160.5000111.4F42 L45 T49 E176 S177 A183 N184F42-I180 HydrophobicContact CE2-CD1 4.44Å; F42-I180 HydrophobicContact CE2-CG1 3.92Å; L45-I180 HydrophobicContact CD2-CD1 3.56Å; L45-I180 HydrophobicContact CG-CD1 3.78Å; T49-I180 HydrophobicContact CG2-CD1 4.13Å; T49-I180 HydrophobicContact CG2-CG1 4.45Å; T49-I180 HydrophobicContact CG2-CG2 3.71Å; T49-I180 VanDerWaalsContact OG1-CG2 3.25Å; T49-I180 WeakPolarHBondContact OG1-CG2 3.49Å; E176-I180 WeakPolarHBondContact O-CB 3.3Å; E176-I180 WeakPolarHBondContact O-CD1 3.49Å; E176-I180 WeakPolarHBondContact O-CG1 3.49Å; E176-I180 PolarHBondContact O-N 3.08Å; S177-I180 PolarHBondContact O-N 3.26Å; I180-A183 PolarHBondContact O-N 2.67Å; I180-N184 WeakPolarHBondContact CG2-ND2 3.13Å; I180-N184 WeakPolarHBondContact O-CB 3.39Å; I180-N184 PolarHBondContact O-N 2.99Å; I180-N184 PolarHBondContact O-ND2 3.29Å; I180-N184 VanDerWaalsContact O-ND2 3.17Å
181Q92.3Very high93.1Very high102 Ų10262 Ų6248%0.47730%0.304SS..Hα-helixtrans-64-43.7178.7-72.4173.832.300112S177 K178 A179 N184 K185S177-Q181 VanDerWaalsContact O-CG 3.27Å; S177-Q181 WeakPolarHBondContact O-CG 3.31Å; S177-Q181 PolarHBondContact O-N 2.92Å; S177-Q181 PolarHBondContact OG-NE2 3.27Å; K178-Q181 PolarHBondContact O-N 3.45Å; A179-Q181 VanDerWaalsContact C-N 3.33Å; A179-Q181 PolarHBondContact O-N 2.94Å; Q181-N184 PolarHBondContact O-N 3.2Å; Q181-K185 WeakPolarHBondContact O-CG 3.21Å; Q181-K185 PolarHBondContact O-N 2.85Å
182A94Very high93Very high15 Ų1562.7 Ų62.712%0.12431%0.307CS..Hα-helixtrans-63.1-45.1177.100000111.3K178 A179 N184 K185 H186 A199 A202K178-A182 PolarHBondContact O-N 2.98Å; A179-A182 PolarHBondContact O-N 3.48Å; A182-N184 PolarHBondContact O-N 2.94Å; A182-K185 PolarHBondContact O-N 2.04Å; A182-H186 PolarHBondContact O-N 3.48Å; A182-A199 HydrophobicContact CB-CB 4.32Å; A182-A202 HydrophobicContact CB-CB 4.03Å
183A92.4Very high92.9Very high1 Ų169.9 Ų69.91%0.00834%0.338CS..Hα-helixtrans-57.2-48.9175.500000112.6E46 A179 I180 K185 H186 M187 Y203E46-A183 HydrophobicContact CG-CB 4.09Å; A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.4Å; A179-A183 PolarHBondContact O-N 2.81Å; I180-A183 PolarHBondContact O-N 2.67Å; A183-K185 PolarHBondContact O-N 3.37Å; A183-H186 PolarHBondContact O-N 3.47Å; A183-M187 WeakPolarHBondContact O-CB 3.15Å; A183-M187 WeakPolarHBondContact O-CG 3.49Å; A183-M187 PolarHBondContact O-N 2.7Å; A183-Y203 HydrophobicContact CB-CE1 4.02Å; A183-Y203 WeakPolarHBondContact CB-OH 2.9Å
184N90.3Very high93Very high27 Ų2768.4 Ų68.414%0.14434%0.339CS..Hα-helixtrans-64.6-39.4179.2-76.3-34.8000112T49 R50 I180 Q181 A182 M187 N188T49-N184 PolarHBondContact OG1-ND2 3Å; R50-N184 WeakPolarHBondContact CB-OD1 3.04Å; I180-N184 WeakPolarHBondContact CG2-ND2 3.13Å; I180-N184 WeakPolarHBondContact O-CB 3.39Å; I180-N184 PolarHBondContact O-N 2.99Å; I180-N184 PolarHBondContact O-ND2 3.29Å; I180-N184 VanDerWaalsContact O-ND2 3.17Å; Q181-N184 PolarHBondContact O-N 3.2Å; A182-N184 PolarHBondContact O-N 2.94Å; N184-M187 PolarHBondContact O-N 3.33Å; N184-N188 WeakPolarHBondContact O-CB 3.07Å; N184-N188 VanDerWaalsContact O-CG 3.23Å; N184-N188 PolarHBondContact O-N 2.86Å; N184-N188 VanDerWaalsContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 3.11Å
185K92.6Very high93Very high114 Ų11464.4 Ų64.450%0.49632%0.321SS..Hα-helixtrans-62.3-48.1175.1-76.7176.3-178178.80111.9Q181 A182 A183 N188 N189 L195Q181-K185 WeakPolarHBondContact O-CG 3.21Å; Q181-K185 PolarHBondContact O-N 2.85Å; A182-K185 PolarHBondContact O-N 2.04Å; A183-K185 PolarHBondContact O-N 3.37Å; K185-N188 PolarHBondContact O-N 2.93Å; K185-N189 PolarHBondContact O-N 3.48Å; K185-N189 PolarHBondContact O-ND2 2.88Å; K185-L195 HydrophobicContact CB-CD2 4.37Å
186H92.4Very high92.9Very high27 Ų2768.4 Ų68.413%0.12534%0.338CS..Hα-helixtrans-59.2-47.8175.5169.2-141.9000111.2A182 A183 N188 N189 R190 L195 A199A182-H186 PolarHBondContact O-N 3.48Å; A183-H186 PolarHBondContact O-N 3.47Å; H186-N188 PolarHBondContact O-N 3.47Å; H186-N189 CarbonylContact O-C 3.56Å; H186-N189 PolarHBondContact O-N 3.35Å; H186-R190 WeakPolarHBondContact O-CA 3.46Å; H186-R190 PolarHBondContact O-N 3.41Å; H186-R190 VanDerWaalsContact O-N 3.16Å; H186-L195 HydrophobicContact CB-CB 4.05Å; H186-A199 HydrophobicContact CB-CB 4.12Å
187M89.6Confident93Very high43 Ų4373.7 Ų73.721%0.21236%0.363CS..Hα-helixtrans-63.1-27.1-179.6-77.1-61.6117.700114.2A183 N184 R190A183-M187 WeakPolarHBondContact O-CB 3.15Å; A183-M187 WeakPolarHBondContact O-CG 3.49Å; A183-M187 PolarHBondContact O-N 2.7Å; N184-M187 PolarHBondContact O-N 3.33Å; M187-R190 PolarHBondContact SD-NH2 3.45Å
188N89.1Confident93.1Very high117 Ų11775.1 Ų75.163%0.62636%0.364SS*.Hα-helixtrans-81.5-16.8174.8-70.4-20.9000113.1N184 K185 H186N184-N188 WeakPolarHBondContact O-CB 3.07Å; N184-N188 VanDerWaalsContact O-CG 3.23Å; N184-N188 PolarHBondContact O-N 2.86Å; N184-N188 VanDerWaalsContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 3.11Å; K185-N188 PolarHBondContact O-N 2.93Å; H186-N188 PolarHBondContact O-N 3.47Å
189N92.9Very high93.1Very high88 Ų8870.6 Ų70.647%0.47135%0.345SS..SBendtrans-138.657.7-175.1-59.5-81.3000109.9K185 H186 D191 D192 L195K185-N189 PolarHBondContact O-N 3.48Å; K185-N189 PolarHBondContact O-ND2 2.88Å; H186-N189 CarbonylContact O-C 3.56Å; H186-N189 PolarHBondContact O-N 3.35Å; N189-D191 PolarHBondContact O-N 2.62Å; N189-D192 HydrophobicContact CB-CB 4.33Å; N189-D192 WeakPolarHBondContact O-CB 3.32Å; N189-D192 PolarHBondContact O-N 2.68Å; N189-L195 HydrophobicContact CB-CD1 3.58Å
190R89.9Confident93.1Very high150 Ų15078.3 Ų78.357%0.56638%0.375SS*.THydrogen-bonded Turntrans-60.6-20.9-169.3-70.1-178.1171.1-169.5-9.3115H186 M187 D192H186-R190 WeakPolarHBondContact O-CA 3.46Å; H186-R190 PolarHBondContact O-N 3.41Å; H186-R190 VanDerWaalsContact O-N 3.16Å; M187-R190 PolarHBondContact SD-NH2 3.45Å; R190-D192 VanDerWaalsContact C-N 3.31Å
191D93Very high93.3Very high164 Ų16483.2 Ų83.288%0.87740%0.398SS*.THydrogen-bonded Turntrans-81.9-12.8178.7-59.6-36.8000112.6N189 K193N189-D191 PolarHBondContact O-N 2.62Å; D191-K193 PolarHBondContact O-N 3.49Å
192D93.8Very high93.5Very high68 Ų6879.4 Ų79.436%0.36438%0.383SS..  trans-87.296.9178.2-171.3-17.1000111N189 R190 S194 L195 E196N189-D192 HydrophobicContact CB-CB 4.33Å; N189-D192 WeakPolarHBondContact O-CB 3.32Å; N189-D192 PolarHBondContact O-N 2.68Å; R190-D192 VanDerWaalsContact C-N 3.31Å; D192-S194 PolarHBondContact O-N 2.97Å; D192-S194 VanDerWaalsContact OD1-CB 3.3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.47Å; D192-S194 PolarHBondContact OD1-N 3.49Å; D192-S194 PolarHBondContact OD1-OG 3.22Å; D192-L195 HydrophobicContact CB-CB 4.4Å; D192-L195 HydrophobicContact CB-CD1 3.94Å; D192-L195 HydrophobicContact CB-CG 4.13Å; D192-L195 PolarHBondContact O-N 3.23Å; D192-E196 PolarHBondContact O-N 3Å
193K94.2Very high93.5Very high154 Ų15482.2 Ų82.267%0.6739%0.391SS*.Hα-helixtrans-57.4-29.3177.1-66.3-174.4177.4-175.70113.6D191 L195 E196 E197D191-K193 PolarHBondContact O-N 3.49Å; K193-L195 PolarHBondContact O-N 3.16Å; K193-E196 WeakPolarHBondContact O-CB 3.26Å; K193-E196 PolarHBondContact O-N 3.29Å; K193-E197 WeakPolarHBondContact O-CG 3.48Å; K193-E197 PolarHBondContact O-N 3.03Å
194S95.4Very high93.7Very high51 Ų5184.3 Ų84.336%0.35741%0.406SS..Hα-helixtrans-68-28.1178.778.20000111.9D192 Q198D192-S194 PolarHBondContact O-N 2.97Å; D192-S194 VanDerWaalsContact OD1-CB 3.3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.47Å; D192-S194 PolarHBondContact OD1-N 3.49Å; D192-S194 PolarHBondContact OD1-OG 3.22Å; S194-Q198 VanDerWaalsContact O-CG 3.25Å; S194-Q198 WeakPolarHBondContact O-CG 3.44Å; S194-Q198 PolarHBondContact O-N 3.31Å; S194-Q198 VanDerWaalsContact O-N 3.11Å; S194-Q198 PolarHBondContact O-NE2 3.32Å
195L95.6Very high94Very high22 Ų2285.7 Ų85.712%0.11542%0.415CS..Hα-helixtrans-79.4-33.3175.2-65176.2000111.8K185 H186 N189 D192 K193 Q198 A199K185-L195 HydrophobicContact CB-CD2 4.37Å; H186-L195 HydrophobicContact CB-CB 4.05Å; N189-L195 HydrophobicContact CB-CD1 3.58Å; D192-L195 HydrophobicContact CB-CB 4.4Å; D192-L195 HydrophobicContact CB-CD1 3.94Å; D192-L195 HydrophobicContact CB-CG 4.13Å; D192-L195 PolarHBondContact O-N 3.23Å; K193-L195 PolarHBondContact O-N 3.16Å; L195-Q198 PolarHBondContact O-N 3.15Å; L195-A199 WeakPolarHBondContact O-CB 3.27Å; L195-A199 PolarHBondContact O-N 3.06Å
196E93.9Very high94.2Very high106 Ų10680.4 Ų80.450%0.49539%0.392SS..Hα-helixtrans-59.3-48.6170.2-175.5178.3-168.400110.8D192 K193 A199 Y200D192-E196 PolarHBondContact O-N 3Å; K193-E196 WeakPolarHBondContact O-CB 3.26Å; K193-E196 PolarHBondContact O-N 3.29Å; E196-A199 PolarHBondContact O-N 3.28Å; E196-Y200 PolarHBondContact O-N 3.48Å
197E95.2Very high94.4Very high125 Ų12579.9 Ų79.958%0.58439%0.394SS*.Hα-helixtrans-59.6-46.7176.3-72.4173.2-179.500111.6K193 A199 Y200 E201K193-E197 WeakPolarHBondContact O-CG 3.48Å; K193-E197 PolarHBondContact O-N 3.03Å; E197-A199 VanDerWaalsContact C-N 3.35Å; E197-A199 PolarHBondContact O-N 2.88Å; E197-Y200 WeakPolarHBondContact O-CB 3.25Å; E197-Y200 PolarHBondContact O-N 2.91Å; E197-E201 WeakPolarHBondContact O-CG 3.36Å; E197-E201 PolarHBondContact O-N 3.01Å
198Q95.8Very high94.7Very high87 Ų8784.1 Ų84.141%0.40741%0.413SS..Hα-helixtrans-60.2-40.5176.3-77.6168.762.500113.1S194 L195 A202S194-Q198 VanDerWaalsContact O-CG 3.25Å; S194-Q198 WeakPolarHBondContact O-CG 3.44Å; S194-Q198 PolarHBondContact O-N 3.31Å; S194-Q198 VanDerWaalsContact O-N 3.11Å; S194-Q198 PolarHBondContact O-NE2 3.32Å; L195-Q198 PolarHBondContact O-N 3.15Å; Q198-A202 WeakPolarHBondContact O-CB 3.25Å; Q198-A202 PolarHBondContact O-N 3.17Å
199A94.3Very high95.1Very high4 Ų481.2 Ų81.23%0.03340%0.396CS..Hα-helixtrans-65.7-42.7176.400000111.1A182 H186 L195 E196 E197 A202 Y203A182-A199 HydrophobicContact CB-CB 4.32Å; H186-A199 HydrophobicContact CB-CB 4.12Å; L195-A199 WeakPolarHBondContact O-CB 3.27Å; L195-A199 PolarHBondContact O-N 3.06Å; E196-A199 PolarHBondContact O-N 3.28Å; E197-A199 VanDerWaalsContact C-N 3.35Å; E197-A199 PolarHBondContact O-N 2.88Å; A199-A202 PolarHBondContact O-N 3.34Å; A199-Y203 WeakPolarHBondContact O-CD1 3.4Å; A199-Y203 VanDerWaalsContact O-CG 3.23Å; A199-Y203 PolarHBondContact O-N 3.49Å
200Y94.8Very high95.2Very high162 Ų16277 Ų7764%0.63537%0.374SS*.Hα-helixtrans-62.7-43.6176.2179.1-96000112.7E196 E197 Y203 S204E196-Y200 PolarHBondContact O-N 3.48Å; E197-Y200 WeakPolarHBondContact O-CB 3.25Å; E197-Y200 PolarHBondContact O-N 2.91Å; Y200-Y203 PolarHBondContact O-N 3.48Å; Y200-S204 WeakPolarHBondContact O-CB 3.31Å; Y200-S204 PolarHBondContact O-N 3.13Å; Y200-S204 PolarHBondContact O-OG 3.18Å
201E97.1Very high95.5Very high121 Ų12174.8 Ų74.857%0.56537%0.365SS*.Hα-helixtrans-62.9-42.9176-74.7179.4175.900111.9E197 Y203 S204 T205E197-E201 WeakPolarHBondContact O-CG 3.36Å; E197-E201 PolarHBondContact O-N 3.01Å; E201-Y203 PolarHBondContact O-N 3.22Å; E201-S204 PolarHBondContact O-N 3.37Å; E201-T205 WeakPolarHBondContact O-CB 3.24Å; E201-T205 PolarHBondContact O-N 2.88Å; E201-T205 PolarHBondContact O-OG1 2.78Å
202A97Very high95.7Very high21 Ų2169.7 Ų69.717%0.17434%0.342CS..Hα-helixtrans-64.3-40.2177.300000111.9A179 A182 Q198 A199 L206A179-A202 HydrophobicContact CB-CB 4.2Å; A182-A202 HydrophobicContact CB-CB 4.03Å; Q198-A202 WeakPolarHBondContact O-CB 3.25Å; Q198-A202 PolarHBondContact O-N 3.17Å; A199-A202 PolarHBondContact O-N 3.34Å; A202-L206 WeakPolarHBondContact O-CB 3.49Å; A202-L206 PolarHBondContact O-N 2.72Å
203Y94.8Very high95.8Very high75 Ų7566.6 Ų66.629%0.29433%0.326SS..Hα-helixtrans-65.3-42174.5-69.6-4.3000112.3F42 E46 A179 A183 A199 Y200 E201 L206 G207F42-Y203 HydrophobicContact CE1-CD1 4.08Å; F42-Y203 AromaticContact CE1-CE1 3.86Å; F42-Y203 HydrophobicContact CE1-CE1 3.86Å; F42-Y203 AromaticContact CZ-CD1 3.84Å; F42-Y203 HydrophobicContact CZ-CD1 3.84Å; F42-Y203 AromaticContact CZ-CE1 3.49Å; F42-Y203 HydrophobicContact CZ-CE1 3.49Å; F42-Y203 VanDerWaalsContact CZ-CE1 3.49Å; E46-Y203 PolarHBondContact OE1-OH 3.45Å; A179-Y203 HydrophobicContact CB-CD1 3.87Å; A179-Y203 HydrophobicContact CB-CE1 4.09Å; A183-Y203 HydrophobicContact CB-CE1 4.02Å; A183-Y203 WeakPolarHBondContact CB-OH 2.9Å; A199-Y203 WeakPolarHBondContact O-CD1 3.4Å; A199-Y203 VanDerWaalsContact O-CG 3.23Å; A199-Y203 PolarHBondContact O-N 3.49Å; Y200-Y203 PolarHBondContact O-N 3.48Å; E201-Y203 PolarHBondContact O-N 3.22Å; Y203-L206 PolarHBondContact O-N 3.02Å; Y203-G207 PolarHBondContact O-N 2.6Å
204S95.9Very high95.8Very high44 Ų4459.2 Ų59.231%0.30829%0.294SS..Hα-helixtrans-63.7-47.3178.9-59.70000111Y200 E201 L206 G207 E208Y200-S204 WeakPolarHBondContact O-CB 3.31Å; Y200-S204 PolarHBondContact O-N 3.13Å; Y200-S204 PolarHBondContact O-OG 3.18Å; E201-S204 PolarHBondContact O-N 3.37Å; S204-L206 PolarHBondContact O-N 3.01Å; S204-G207 PolarHBondContact O-N 2.95Å; S204-G207 VanDerWaalsContact O-N 3.16Å; S204-E208 WeakPolarHBondContact O-CG 3.48Å; S204-E208 PolarHBondContact O-N 2.92Å
205T97.4Very high95.8Very high57 Ų5760.3 Ų60.335%0.3530%0.295SS..Hα-helixtrans-59.6-45.9176.3-53.30000111.3L175 E201 G207 E208 E209L175-T205 HydrophobicContact CD1-CG2 4.4Å; L175-T205 HydrophobicContact CD2-CG2 4.03Å; E201-T205 WeakPolarHBondContact O-CB 3.24Å; E201-T205 PolarHBondContact O-N 2.88Å; E201-T205 PolarHBondContact O-OG1 2.78Å; T205-G207 VanDerWaalsContact C-N 3.33Å; T205-G207 PolarHBondContact O-N 2.74Å; T205-E208 PolarHBondContact O-N 3.48Å; T205-E209 VanDerWaalsContact O-CG 3.3Å; T205-E209 WeakPolarHBondContact O-CG 3.25Å; T205-E209 PolarHBondContact O-N 3.29Å
206L96.4Very high95.8Very high3 Ų361.5 Ų61.52%0.01630%0.301CS..Hα-helixtrans-59.7-43.4175.717461000111.8F42 V172 L175 E176 A179 A202 Y203 S204 E209 L210F42-L206 HydrophobicContact CD1-CD2 4.19Å; F42-L206 HydrophobicContact CD2-CD2 3.53Å; F42-L206 HydrophobicContact CE1-CD2 4.26Å; F42-L206 HydrophobicContact CE2-CD2 3.59Å; F42-L206 HydrophobicContact CG-CD2 3.84Å; F42-L206 HydrophobicContact CZ-CD2 3.98Å; V172-L206 HydrophobicContact CG1-CD1 4.06Å; L175-L206 HydrophobicContact CB-CD1 4.09Å; E176-L206 HydrophobicContact CG-CD1 3.61Å; E176-L206 HydrophobicContact CG-CD2 3.93Å; E176-L206 HydrophobicContact CG-CG 4.43Å; A179-L206 HydrophobicContact CB-CD2 4.08Å; A202-L206 WeakPolarHBondContact O-CB 3.49Å; A202-L206 PolarHBondContact O-N 2.72Å; Y203-L206 PolarHBondContact O-N 3.02Å; S204-L206 PolarHBondContact O-N 3.01Å; L206-E209 PolarHBondContact O-N 3.21Å; L206-L210 HydrophobicContact CD1-CD1 4.01Å; L206-L210 HydrophobicContact CD1-CG 4.05Å; L206-L210 HydrophobicContact CG-CD1 3.96Å; L206-L210 HydrophobicContact CG-CG 4.44Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 WeakPolarHBondContact O-CG 3.36Å; L206-L210 PolarHBondContact O-N 2.93Å
207G95.5Very high95.8Very high15 Ų1557.5 Ų57.516%0.15528%0.283CS..Hα-helixtrans-61.6-41.7178.200000113.2Y203 S204 T205 R211Y203-G207 PolarHBondContact O-N 2.6Å; S204-G207 PolarHBondContact O-N 2.95Å; S204-G207 VanDerWaalsContact O-N 3.16Å; T205-G207 VanDerWaalsContact C-N 3.33Å; T205-G207 PolarHBondContact O-N 2.74Å; G207-R211 PolarHBondContact O-N 3.11Å
208E96.4Very high95.7Very high133 Ų13351.6 Ų51.662%0.62126%0.256SS*.Hα-helixtrans-63-46.5175.4-71.5179.3173.400111.6S204 T205 L210 R211 S212S204-E208 WeakPolarHBondContact O-CG 3.48Å; S204-E208 PolarHBondContact O-N 2.92Å; T205-E208 PolarHBondContact O-N 3.48Å; E208-L210 PolarHBondContact O-N 3.24Å; E208-R211 WeakPolarHBondContact O-CA 3.48Å; E208-R211 VanDerWaalsContact O-CB 3.28Å; E208-R211 WeakPolarHBondContact O-CB 3.28Å; E208-R211 PolarHBondContact O-N 3.49Å; E208-R211 VanDerWaalsContact O-N 3.09Å; E208-S212 PolarHBondContact O-N 3.07Å; E208-S212 PolarHBondContact O-OG 3.46Å
209E97.1Very high95.6Very high55 Ų5548.9 Ų48.926%0.25724%0.243SC..Hα-helixtrans-71.2-32-177.9-66.6-74.1169.500112.2Q168 N171 V172 L175 T205 L206 S212 L213Q168-E209 PolarHBondContact NE2-O 3.33Å; Q168-E209 PolarHBondContact NE2-OE2 3.04Å; N171-E209 PolarHBondContact ND2-OE2 2.81Å; V172-E209 HydrophobicContact CG2-CB 4.29Å; L175-E209 HydrophobicContact CD1-CB 3.72Å; L175-E209 HydrophobicContact CD1-CG 3.49Å; L175-E209 VanDerWaalsContact CD1-CG 3.49Å; T205-E209 VanDerWaalsContact O-CG 3.3Å; T205-E209 WeakPolarHBondContact O-CG 3.25Å; T205-E209 PolarHBondContact O-N 3.29Å; L206-E209 PolarHBondContact O-N 3.21Å; E209-S212 PolarHBondContact O-N 3.46Å; E209-L213 WeakPolarHBondContact O-CB 3.21Å; E209-L213 PolarHBondContact O-N 3.34Å
210L96.1Very high95.5Very high1 Ų149.3 Ų49.31%0.00525%0.247CC..Hα-helixtrans-65-38168.1-80.8172.3000112.1Y35 I39 V172 L206 E208 L213 V214Y35-L210 HydrophobicContact CD2-CB 4.22Å; Y35-L210 HydrophobicContact CE2-CB 3.95Å; I39-L210 HydrophobicContact CD1-CD1 3.5Å; I39-L210 VanDerWaalsContact CD1-CD1 3.5Å; I39-L210 HydrophobicContact CG1-CD1 4.27Å; V172-L210 HydrophobicContact CG1-CD2 3.52Å; V172-L210 HydrophobicContact CG1-CG 4.09Å; V172-L210 HydrophobicContact CG2-CD2 4.2Å; V172-L210 HydrophobicContact CG2-CG 4.44Å; L206-L210 HydrophobicContact CD1-CD1 4.01Å; L206-L210 HydrophobicContact CD1-CG 4.05Å; L206-L210 HydrophobicContact CG-CD1 3.96Å; L206-L210 HydrophobicContact CG-CG 4.44Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 WeakPolarHBondContact O-CG 3.36Å; L206-L210 PolarHBondContact O-N 2.93Å; E208-L210 PolarHBondContact O-N 3.24Å; L210-L213 HydrophobicContact CD2-CD2 4.45Å; L210-L213 PolarHBondContact O-N 3.44Å; L210-V214 WeakPolarHBondContact O-CG2 3.3Å; L210-V214 PolarHBondContact O-N 3.2Å
211R95.8Very high95.5Very high103 Ų10342 Ų4239%0.38922%0.218SC..Hα-helixtrans-63.9-45.9175.2-169.474.2179.6147.41.5110.5D32 Y35 G207 E208 L213 V214 D215D32-R211 IonicContact OD1-NH1 2.64Å; D32-R211 PolarHBondContact OD1-NH1 3.28Å; Y35-R211 HydrophobicContact CE2-CB 4.48Å; G207-R211 PolarHBondContact O-N 3.11Å; E208-R211 WeakPolarHBondContact O-CA 3.48Å; E208-R211 VanDerWaalsContact O-CB 3.28Å; E208-R211 WeakPolarHBondContact O-CB 3.28Å; E208-R211 PolarHBondContact O-N 3.49Å; E208-R211 VanDerWaalsContact O-N 3.09Å; R211-L213 PolarHBondContact O-N 3Å; R211-V214 PolarHBondContact O-N 2.9Å; R211-D215 PolarHBondContact O-N 3.45Å
212S96.6Very high95.2Very high56 Ų5637.2 Ų37.239%0.39220%0.196SC..Hα-helixtrans-61.3-41.6175.7-63.90000112.8E208 E209 V214 D215 L216E208-S212 PolarHBondContact O-N 3.07Å; E208-S212 PolarHBondContact O-OG 3.46Å; E209-S212 PolarHBondContact O-N 3.46Å; S212-V214 PolarHBondContact O-N 2.97Å; S212-D215 PolarHBondContact O-N 3.31Å; S212-L216 PolarHBondContact O-N 3.29Å
213L96Very high94.8Very high3 Ų336.9 Ų36.92%0.01619%0.19CC..Hα-helixtrans-56.1-51173176.161.5000111.2I165 Q168 L169 V172 E209 L210 R211 D215 L216 M217I165-L213 HydrophobicContact CG2-CD1 4.03Å; Q168-L213 HydrophobicContact CB-CD1 3.98Å; Q168-L213 HydrophobicContact CG-CB 3.69Å; Q168-L213 HydrophobicContact CG-CD1 3.87Å; Q168-L213 HydrophobicContact CG-CG 4.36Å; L169-L213 HydrophobicContact CD1-CD2 4.08Å; V172-L213 HydrophobicContact CG2-CB 4.45Å; V172-L213 HydrophobicContact CG2-CD2 4.23Å; E209-L213 WeakPolarHBondContact O-CB 3.21Å; E209-L213 PolarHBondContact O-N 3.34Å; L210-L213 HydrophobicContact CD2-CD2 4.45Å; L210-L213 PolarHBondContact O-N 3.44Å; R211-L213 PolarHBondContact O-N 3Å; L213-D215 VanDerWaalsContact C-N 3.27Å; L213-D215 PolarHBondContact O-N 3.45Å; L213-L216 WeakPolarHBondContact O-CB 3.37Å; L213-L216 PolarHBondContact O-N 2.88Å; L213-M217 HydrophobicContact CD1-CG 4.46Å; L213-M217 HydrophobicContact CG-SD 4.28Å; L213-M217 WeakPolarHBondContact O-CG 3.44Å; L213-M217 PolarHBondContact O-N 3.02Å
214V95.4Very high94.7Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-65-34.1-177.7167.80000111.5K31 Y34 Y35 L210 R211 S212 M217 G218K31-V214 HydrophobicContact CB-CG1 3.49Å; K31-V214 VanDerWaalsContact CB-CG1 3.49Å; K31-V214 WeakPolarHBondContact CE-O 3.45Å; K31-V214 HydrophobicContact CG-CG1 3.99Å; K31-V214 VanDerWaalsContact O-CG1 3.27Å; K31-V214 WeakPolarHBondContact O-CG1 3.31Å; Y34-V214 HydrophobicContact CD1-CG2 3.72Å; Y35-V214 HydrophobicContact CD2-CG2 4.42Å; L210-V214 WeakPolarHBondContact O-CG2 3.3Å; L210-V214 PolarHBondContact O-N 3.2Å; R211-V214 PolarHBondContact O-N 2.9Å; S212-V214 PolarHBondContact O-N 2.97Å; V214-M217 PolarHBondContact O-N 3.17Å; V214-G218 PolarHBondContact O-N 2.95Å
215D95.2Very high94.5Very high73 Ų7331.8 Ų31.839%0.3916%0.164SC..Hα-helixtrans-63.7-43.6172.8-76.7-26.8000112.8K31 R211 S212 L213 M217 G218 E219K31-D215 WeakPolarHBondContact CE-OD1 3.32Å; K31-D215 IonicContact NZ-OD1 3.94Å; K31-D215 PolarHBondContact NZ-OD1 3.42Å; R211-D215 PolarHBondContact O-N 3.45Å; S212-D215 PolarHBondContact O-N 3.31Å; L213-D215 VanDerWaalsContact C-N 3.27Å; L213-D215 PolarHBondContact O-N 3.45Å; D215-M217 VanDerWaalsContact C-N 3.35Å; D215-M217 PolarHBondContact O-N 2.92Å; D215-G218 PolarHBondContact O-N 3.37Å; D215-E219 PolarHBondContact O-N 3.34Å
216L95.4Very high94.1Very high47 Ų4730 Ų3025%0.24615%0.152CC..Hα-helixtrans-62.2-40.5172.9-70.6169.9000112.3N164 I165 Q168 S212 L213 G218 E219 A220N164-L216 HydrophobicContact CB-CD1 4.28Å; N164-L216 HydrophobicContact CB-CD2 4.33Å; I165-L216 HydrophobicContact CG1-CB 3.7Å; Q168-L216 HydrophobicContact CB-CD1 4Å; Q168-L216 HydrophobicContact CG-CD1 4.2Å; S212-L216 PolarHBondContact O-N 3.29Å; L213-L216 WeakPolarHBondContact O-CB 3.37Å; L213-L216 PolarHBondContact O-N 2.88Å; L216-G218 VanDerWaalsContact C-N 3.34Å; L216-E219 WeakPolarHBondContact O-CB 3.33Å; L216-E219 PolarHBondContact O-N 3.23Å; L216-A220 PolarHBondContact O-N 2.99Å
217M94Very high93.8Very high22 Ų2229.9 Ų29.911%0.10815%0.152CC..Hα-helixtrans-62.4-43.9175.3-68.2-177.268.700111.3Y34 I165 L213 V214 D215 E219 A220 E221Y34-M217 HydrophobicContact CD1-CE 4.31Å; Y34-M217 HydrophobicContact CD1-SD 3.85Å; Y34-M217 HydrophobicContact CD2-CE 3.62Å; Y34-M217 HydrophobicContact CD2-SD 4.26Å; Y34-M217 HydrophobicContact CE1-CE 3.93Å; Y34-M217 HydrophobicContact CE1-SD 3.41Å; Y34-M217 WeakPolarHBondContact CE1-SD 3.42Å; Y34-M217 HydrophobicContact CE2-CE 3.2Å; Y34-M217 HydrophobicContact CE2-SD 3.9Å; Y34-M217 HydrophobicContact CG-CE 4.16Å; Y34-M217 HydrophobicContact CG-SD 4.25Å; I165-M217 HydrophobicContact CD1-CG 4.15Å; I165-M217 HydrophobicContact CG1-CG 4.32Å; I165-M217 HydrophobicContact CG2-CG 4.22Å; L213-M217 HydrophobicContact CD1-CG 4.46Å; L213-M217 HydrophobicContact CG-SD 4.28Å; L213-M217 WeakPolarHBondContact O-CG 3.44Å; L213-M217 PolarHBondContact O-N 3.02Å; V214-M217 PolarHBondContact O-N 3.17Å; D215-M217 VanDerWaalsContact C-N 3.35Å; D215-M217 PolarHBondContact O-N 2.92Å; M217-E219 VanDerWaalsContact C-N 3.26Å; M217-E219 PolarHBondContact O-N 3.34Å; M217-A220 PolarHBondContact O-N 3.49Å; M217-A220 VanDerWaalsContact O-N 3.16Å; M217-E221 VanDerWaalsContact O-CG 3.31Å; M217-E221 WeakPolarHBondContact O-CG 3.42Å; M217-E221 PolarHBondContact O-N 2.8Å
218G93.7Very high93.6Very high1 Ų129.2 Ų29.21%0.0114%0.144CC..Hα-helixtrans-54.9-42.6172.900000113.4K31 V214 D215 L216 E221 F222K31-G218 VanDerWaalsContact CD-CA 3.5Å; V214-G218 PolarHBondContact O-N 2.95Å; D215-G218 PolarHBondContact O-N 3.37Å; L216-G218 VanDerWaalsContact C-N 3.34Å; G218-E221 WeakPolarHBondContact O-CB 3Å; G218-E221 PolarHBondContact O-N 3.39Å; G218-F222 WeakPolarHBondContact O-CD2 3.49Å; G218-F222 PolarHBondContact O-N 3.01Å; G218-F222 VanDerWaalsContact O-N 3.14Å
219E92.6Very high93.3Very high30 Ų3024.8 Ų24.814%0.1413%0.127CC..Hα-helixtrans-64.1-44.8175.9176.454-158.900112.4Y12 T161 D215 L216 M217 E221 F222 Q223Y12-E219 WeakPolarHBondContact CD2-OE1 3.15Å; Y12-E219 WeakPolarHBondContact CE2-OE1 3.48Å; Y12-E219 WeakPolarHBondContact CE2-OE2 3.46Å; Y12-E219 PolarHBondContact OH-OE2 2.82Å; T161-E219 HydrophobicContact CG2-CB 4.31Å; T161-E219 HydrophobicContact CG2-CG 4.06Å; D215-E219 PolarHBondContact O-N 3.34Å; L216-E219 WeakPolarHBondContact O-CB 3.33Å; L216-E219 PolarHBondContact O-N 3.23Å; M217-E219 VanDerWaalsContact C-N 3.26Å; M217-E219 PolarHBondContact O-N 3.34Å; E219-E221 VanDerWaalsContact C-N 3.3Å; E219-E221 PolarHBondContact O-N 3.32Å; E219-F222 PolarHBondContact O-N 3.1Å; E219-Q223 WeakPolarHBondContact O-CG 3.39Å; E219-Q223 PolarHBondContact O-N 3.46Å; E219-Q223 WeakPolarHBondContact OE1-CG 3.46Å; E219-Q223 PolarHBondContact OE1-NE2 2.89Å
220A93.6Very high92.8Very high13 Ų1324.4 Ų24.411%0.10713%0.128CC..Hα-helixtrans-61.9-37.5175.300000112.2L158 T161 I165 L216 M217 Q223 R224L158-A220 HydrophobicContact CD1-CB 4.14Å; T161-A220 HydrophobicContact CG2-CB 3.86Å; I165-A220 HydrophobicContact CD1-CB 3.55Å; L216-A220 PolarHBondContact O-N 2.99Å; M217-A220 PolarHBondContact O-N 3.49Å; M217-A220 VanDerWaalsContact O-N 3.16Å; A220-Q223 PolarHBondContact O-N 3.3Å; A220-R224 VanDerWaalsContact O-CB 3.26Å; A220-R224 WeakPolarHBondContact O-CB 3.44Å; A220-R224 PolarHBondContact O-N 2.92Å
221E93.8Very high92.5Very high8 Ų825 Ų254%0.03713%0.131CC..Hα-helixtrans-59.1-49.8173.9-70.5-65.4142.100111.1I27 Y30 R129 M217 G218 E219 Q223 R224 I225I27-E221 HydrophobicContact CG1-CB 4.41Å; I27-E221 HydrophobicContact CG2-CB 4.34Å; Y30-E221 HydrophobicContact CD1-CG 4.28Å; Y30-E221 HydrophobicContact CE1-CG 4.14Å; R129-E221 IonicContact CZ-OE2 3.53Å; R129-E221 VanDerWaalsContact NH1-CD 3.3Å; R129-E221 IonicContact NH1-OE1 2.72Å; R129-E221 PolarHBondContact NH1-OE1 2.95Å; R129-E221 IonicContact NH1-OE2 3.46Å; R129-E221 PolarHBondContact NH1-OE2 2.95Å; R129-E221 IonicContact NH2-OE2 3.53Å; M217-E221 VanDerWaalsContact O-CG 3.31Å; M217-E221 WeakPolarHBondContact O-CG 3.42Å; M217-E221 PolarHBondContact O-N 2.8Å; G218-E221 WeakPolarHBondContact O-CB 3Å; G218-E221 PolarHBondContact O-N 3.39Å; E219-E221 VanDerWaalsContact C-N 3.3Å; E219-E221 PolarHBondContact O-N 3.32Å; E221-Q223 PolarHBondContact O-N 2.82Å; E221-R224 PolarHBondContact O-N 3.29Å; E221-R224 IonicContact OE1-CZ 2.71Å; E221-R224 IonicContact OE1-NH1 3.05Å; E221-R224 PolarHBondContact OE1-NH1 2.96Å; E221-R224 IonicContact OE1-NH2 2.78Å; E221-R224 IonicContact OE2-CZ 2.95Å; E221-R224 VanDerWaalsContact OE2-CZ 3.24Å; E221-R224 IonicContact OE2-NH1 2.89Å; E221-R224 PolarHBondContact OE2-NH1 2.69Å; E221-R224 VanDerWaalsContact OE2-NH1 3.12Å; E221-R224 IonicContact OE2-NH2 3.63Å; E221-R224 PolarHBondContact OE2-NH2 2.95Å; E221-I225 WeakPolarHBondContact O-CD1 3.16Å; E221-I225 WeakPolarHBondContact O-CG1 3.14Å; E221-I225 PolarHBondContact O-N 3.34Å
222F90Very high92.2Very high22 Ų2223.4 Ų23.410%0.09614%0.135CC..Hα-helixtrans-58.4-49.2176.4-79.9-69.9000112.3M16 V19 K24 I27 G218 E219 R224 I225 L226M16-F222 HydrophobicContact CE-CD2 4.2Å; M16-F222 HydrophobicContact CE-CE2 4Å; M16-F222 HydrophobicContact CE-CZ 4.16Å; M16-F222 HydrophobicContact SD-CB 4.48Å; M16-F222 HydrophobicContact SD-CD1 4.12Å; M16-F222 HydrophobicContact SD-CD2 4.2Å; M16-F222 HydrophobicContact SD-CE1 4.38Å; M16-F222 HydrophobicContact SD-CE2 4.48Å; M16-F222 HydrophobicContact SD-CG 4.03Å; V19-F222 HydrophobicContact CB-CE1 4.43Å; V19-F222 HydrophobicContact CG1-CD1 4.09Å; V19-F222 HydrophobicContact CG1-CE1 3.81Å; V19-F222 HydrophobicContact CG2-CD1 4.31Å; K24-F222 HydrophobicContact CB-CE1 4.35Å; K24-F222 HydrophobicContact CB-CZ 4.01Å; K24-F222 HydrophobicContact CG-CE1 3.71Å; K24-F222 HydrophobicContact CG-CZ 3.72Å; I27-F222 HydrophobicContact CB-CE2 4.28Å; I27-F222 HydrophobicContact CB-CZ 4.17Å; I27-F222 HydrophobicContact CD1-CD1 3.38Å; I27-F222 HydrophobicContact CD1-CD2 3.98Å; I27-F222 HydrophobicContact CD1-CE1 3.25Å; I27-F222 HydrophobicContact CD1-CE2 3.86Å; I27-F222 HydrophobicContact CD1-CG 3.75Å; I27-F222 HydrophobicContact CD1-CZ 3.5Å; I27-F222 VanDerWaalsContact CD1-CZ 3.5Å; I27-F222 HydrophobicContact CG1-CZ 4.45Å; I27-F222 HydrophobicContact CG2-CD2 4.24Å; I27-F222 HydrophobicContact CG2-CE2 3.76Å; I27-F222 HydrophobicContact CG2-CZ 4.17Å; G218-F222 WeakPolarHBondContact O-CD2 3.49Å; G218-F222 PolarHBondContact O-N 3.01Å; G218-F222 VanDerWaalsContact O-N 3.14Å; E219-F222 PolarHBondContact O-N 3.1Å; F222-R224 VanDerWaalsContact C-N 3.33Å; F222-R224 PolarHBondContact O-N 3.42Å; F222-I225 PolarHBondContact O-N 3.44Å; F222-L226 WeakPolarHBondContact O-CG 3.18Å; F222-L226 PolarHBondContact O-N 2.68Å
223Q89.5Confident91.9Very high13 Ų1324.8 Ų24.86%0.06113%0.133CC..Hα-helixtrans-60.7-42.9179.2-69.7172.6-1.300111.6Q157 L158 T161 E219 A220 E221 L226 L227Q157-Q223 PolarHBondContact O-OE1 2.83Å; L158-Q223 VanDerWaalsContact CA-OE1 3.28Å; L158-Q223 HydrophobicContact CB-CB 4.5Å; L158-Q223 HydrophobicContact CD1-CB 4.09Å; T161-Q223 VanDerWaalsContact OG1-CD 3.3Å; T161-Q223 PolarHBondContact OG1-NE2 3.32Å; T161-Q223 PolarHBondContact OG1-OE1 3.43Å; E219-Q223 WeakPolarHBondContact O-CG 3.39Å; E219-Q223 PolarHBondContact O-N 3.46Å; E219-Q223 WeakPolarHBondContact OE1-CG 3.46Å; E219-Q223 PolarHBondContact OE1-NE2 2.89Å; A220-Q223 PolarHBondContact O-N 3.3Å; E221-Q223 PolarHBondContact O-N 2.82Å; Q223-L226 PolarHBondContact O-N 2.7Å; Q223-L227 WeakPolarHBondContact O-CB 3.44Å; Q223-L227 PolarHBondContact O-N 3.12Å
224R93Very high91.6Very high11 Ų1129 Ų294%0.04216%0.156CC..Hα-helixtrans-62.5-48.2177.3-166.5-173.972.4-117-16.4110.8E136 L158 A220 E221 F222 L226 L227 L228 M239E136-R224 IonicContact OE2-NH2 3.56Å; E136-R224 PolarHBondContact OE2-NH2 2.84Å; L158-R224 HydrophobicContact CD1-CB 4.34Å; L158-R224 HydrophobicContact CD2-CB 4.27Å; L158-R224 HydrophobicContact CD2-CG 4.36Å; A220-R224 VanDerWaalsContact O-CB 3.26Å; A220-R224 WeakPolarHBondContact O-CB 3.44Å; A220-R224 PolarHBondContact O-N 2.92Å; E221-R224 PolarHBondContact O-N 3.29Å; E221-R224 IonicContact OE1-CZ 2.71Å; E221-R224 IonicContact OE1-NH1 3.05Å; E221-R224 PolarHBondContact OE1-NH1 2.96Å; E221-R224 IonicContact OE1-NH2 2.78Å; E221-R224 IonicContact OE2-CZ 2.95Å; E221-R224 VanDerWaalsContact OE2-CZ 3.24Å; E221-R224 IonicContact OE2-NH1 2.89Å; E221-R224 PolarHBondContact OE2-NH1 2.69Å; E221-R224 VanDerWaalsContact OE2-NH1 3.12Å; E221-R224 IonicContact OE2-NH2 3.63Å; E221-R224 PolarHBondContact OE2-NH2 2.95Å; F222-R224 VanDerWaalsContact C-N 3.33Å; F222-R224 PolarHBondContact O-N 3.42Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-L226 PolarHBondContact O-N 3.49Å; R224-L227 CarbonylContact O-C 3.59Å; R224-L227 WeakPolarHBondContact O-CA 3.4Å; R224-L227 WeakPolarHBondContact O-CB 3.26Å; R224-L227 PolarHBondContact O-N 3.38Å; R224-L228 HydrophobicContact CG-CD1 4.03Å; R224-L228 HydrophobicContact CG-CG 4.19Å; R224-L228 WeakPolarHBondContact O-CG 3.5Å; R224-L228 PolarHBondContact O-N 2.94Å; R224-M239 HydrophobicContact CG-CG 4.4Å; R224-M239 HydrophobicContact CG-SD 3.93Å
225I91.9Very high91.4Very high2 Ų233.5 Ų33.51%0.0118%0.177CC..Hα-helixtrans-59-43179.7-67159.8000111.5L23 I27 E136 Y139 E221 F222 L228 T229L23-I225 HydrophobicContact CD1-CD1 3.91Å; L23-I225 HydrophobicContact CD2-CD1 4.21Å; L23-I225 HydrophobicContact CD2-CG2 3.8Å; L23-I225 HydrophobicContact CG-CD1 4.39Å; I27-I225 HydrophobicContact CD1-CD1 3.75Å; I27-I225 HydrophobicContact CG1-CD1 4.26Å; E136-I225 HydrophobicContact CG-CG1 3.89Å; E136-I225 HydrophobicContact CG-CG2 4.36Å; E136-I225 WeakPolarHBondContact OE2-CG1 3.32Å; Y139-I225 HydrophobicContact CD1-CG2 3.49Å; Y139-I225 VanDerWaalsContact CD1-CG2 3.49Å; Y139-I225 HydrophobicContact CE1-CG2 3.69Å; E221-I225 WeakPolarHBondContact O-CD1 3.16Å; E221-I225 WeakPolarHBondContact O-CG1 3.14Å; E221-I225 PolarHBondContact O-N 3.34Å; F222-I225 PolarHBondContact O-N 3.44Å; I225-L228 PolarHBondContact O-N 3.23Å; I225-T229 WeakPolarHBondContact O-CG2 3.42Å; I225-T229 PolarHBondContact O-N 3.32Å
226L88.2Confident91.3Very high18 Ų1830.7 Ų30.79%0.09416%0.162CC..Hα-helixtrans-62.4-43174.5-67.5175.6000111.7L15 V19 L154 F222 Q223 R224 T229L15-L226 HydrophobicContact CB-CD1 4.11Å; L15-L226 HydrophobicContact CD1-CD1 4.37Å; L15-L226 HydrophobicContact CD2-CD1 4.34Å; V19-L226 HydrophobicContact CG2-CD2 4.37Å; L154-L226 HydrophobicContact CD1-CB 3.8Å; F222-L226 WeakPolarHBondContact O-CG 3.18Å; F222-L226 PolarHBondContact O-N 2.68Å; Q223-L226 PolarHBondContact O-N 2.7Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-L226 PolarHBondContact O-N 3.49Å; L226-T229 PolarHBondContact O-N 3.06Å; L226-T229 PolarHBondContact O-OG1 3.39Å
227L90.5Very high91.2Very high2 Ų229 Ų291%0.0115%0.152CC..Hα-helixtrans-63.1-45177.9178.460.5000111.9K151 L154 K155 L158 Q223 R224 T229 T230 L231 M239K151-L227 HydrophobicContact CG-CD1 3.99Å; L154-L227 HydrophobicContact CB-CB 4.47Å; L154-L227 HydrophobicContact CB-CD1 4.29Å; L154-L227 HydrophobicContact CD1-CB 4.22Å; K155-L227 HydrophobicContact CG-CD1 4.02Å; K155-L227 HydrophobicContact CG-CD2 3.98Å; L158-L227 HydrophobicContact CD2-CD2 3.8Å; Q223-L227 WeakPolarHBondContact O-CB 3.44Å; Q223-L227 PolarHBondContact O-N 3.12Å; R224-L227 CarbonylContact O-C 3.59Å; R224-L227 WeakPolarHBondContact O-CA 3.4Å; R224-L227 WeakPolarHBondContact O-CB 3.26Å; R224-L227 PolarHBondContact O-N 3.38Å; L227-T229 PolarHBondContact O-N 3.04Å; L227-T229 VanDerWaalsContact O-N 3.11Å; L227-T230 WeakPolarHBondContact O-CB 3.4Å; L227-T230 PolarHBondContact O-N 3.26Å; L227-T230 PolarHBondContact O-OG1 3.47Å; L227-L231 HydrophobicContact CD1-CD2 4.44Å; L227-L231 HydrophobicContact CG-CD1 4.26Å; L227-M239 HydrophobicContact CD2-CE 3.79Å; L227-M239 HydrophobicContact CD2-SD 3.97Å; L227-M239 HydrophobicContact CG-CE 4.46Å
228L91.9Very high91.2Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-54.9-33-179.1-71.7167.4000112.3E136 I140 R224 I225 T230 L231 Q236 M239 I240E136-L228 HydrophobicContact CG-CD1 4.48Å; E136-L228 WeakPolarHBondContact OE1-CD1 3.43Å; I140-L228 HydrophobicContact CD1-CB 3.88Å; I140-L228 HydrophobicContact CD1-CD1 4.34Å; R224-L228 HydrophobicContact CG-CD1 4.03Å; R224-L228 HydrophobicContact CG-CG 4.19Å; R224-L228 WeakPolarHBondContact O-CG 3.5Å; R224-L228 PolarHBondContact O-N 2.94Å; I225-L228 PolarHBondContact O-N 3.23Å; L228-T230 PolarHBondContact O-N 3Å; L228-T230 VanDerWaalsContact O-N 3.07Å; L228-L231 HydrophobicContact CD2-CD1 4.41Å; L228-L231 PolarHBondContact O-N 3.32Å; L228-Q236 HydrophobicContact CB-CG 4.26Å; L228-Q236 VanDerWaalsContact CD2-CA 3.49Å; L228-Q236 HydrophobicContact CD2-CB 3.69Å; L228-Q236 HydrophobicContact CD2-CG 3.85Å; L228-Q236 WeakPolarHBondContact O-CG 3.49Å; L228-Q236 PolarHBondContact O-NE2 3.24Å; L228-M239 HydrophobicContact CD2-CB 4.34Å; L228-M239 HydrophobicContact CD2-SD 4.07Å; L228-I240 HydrophobicContact CD1-CD1 3.73Å; L228-I240 HydrophobicContact CD1-CG1 3.93Å; L228-I240 HydrophobicContact CD2-CD1 4.04Å; L228-I240 HydrophobicContact CD2-CG1 4.15Å
229T88.8Confident91.2Very high40 Ų4036.4 Ų36.425%0.24519%0.185CC..THydrogen-bonded Turntrans-68.3-8.7179.371.80000113.7Y139 I140 R144 I225 L226 L227Y139-T229 HydrophobicContact CD1-CG2 4.45Å; Y139-T229 HydrophobicContact CE1-CG2 4.29Å; I140-T229 HydrophobicContact CG1-CG2 3.81Å; R144-T229 VanDerWaalsContact CZ-CG2 3.41Å; R144-T229 PolarHBondContact NH1-OG1 2.9Å; I225-T229 WeakPolarHBondContact O-CG2 3.42Å; I225-T229 PolarHBondContact O-N 3.32Å; L226-T229 PolarHBondContact O-N 3.06Å; L226-T229 PolarHBondContact O-OG1 3.39Å; L227-T229 PolarHBondContact O-N 3.04Å; L227-T229 VanDerWaalsContact O-N 3.11Å
230T87.8Confident91.3Very high48 Ų4835 Ų3529%0.29418%0.179SC..THydrogen-bonded Turntrans-107.8-1.5177.175.60000113.3V149 L227 L228V149-T230 HydrophobicContact CB-CG2 4.06Å; V149-T230 HydrophobicContact CG1-CG2 3.95Å; L227-T230 WeakPolarHBondContact O-CB 3.4Å; L227-T230 PolarHBondContact O-N 3.26Å; L227-T230 PolarHBondContact O-OG1 3.47Å; L228-T230 PolarHBondContact O-N 3Å; L228-T230 VanDerWaalsContact O-N 3.07Å
231L89.1Confident91.3Very high12 Ų1234.9 Ų34.96%0.06318%0.176CC..SBendtrans-106.1149-174-58.5-174.3000111.2K151 L227 L228 E235 Q236 M239K151-L231 HydrophobicContact CD-CD2 4.26Å; L227-L231 HydrophobicContact CD1-CD2 4.44Å; L227-L231 HydrophobicContact CG-CD1 4.26Å; L228-L231 HydrophobicContact CD2-CD1 4.41Å; L228-L231 PolarHBondContact O-N 3.32Å; L231-E235 HydrophobicContact CB-CB 4.07Å; L231-E235 HydrophobicContact CD1-CB 4.3Å; L231-Q236 HydrophobicContact CB-CG 3.92Å; L231-Q236 PolarHBondContact O-NE2 2.68Å; L231-M239 HydrophobicContact CD1-CE 3.47Å; L231-M239 VanDerWaalsContact CD1-CE 3.47Å; L231-M239 HydrophobicContact CD1-SD 4.12Å
232P90.1Very high91.3Very high71 Ų7140 Ų4046%0.46120%0.2SC..  trans-64.2156.6166.529.5-34.4000110.9D234 E235 Q236P232-D234 VanDerWaalsContact C-N 3.3Å; P232-D234 PolarHBondContact O-N 3.47Å; P232-E235 HydrophobicContact CG-CB 3.98Å; P232-E235 HydrophobicContact CG-CG 3.83Å; P232-E235 WeakPolarHBondContact CG-OE1 3.46Å; P232-E235 PolarHBondContact O-N 2.96Å; P232-E235 VanDerWaalsContact O-N 3.08Å; P232-Q236 WeakPolarHBondContact O-CG 3.25Å; P232-Q236 PolarHBondContact O-N 3.05Å
233K89.4Confident91.5Very high84 Ų8440.8 Ų40.837%0.36521%0.21SC..Hα-helixtrans-54.7-41.4-172.7-172.265.1177179.60113.5N83 E235 Q236 I237N83-K233 WeakPolarHBondContact O-CE 3.5Å; N83-K233 PolarHBondContact OD1-NZ 3.16Å; K233-E235 PolarHBondContact O-N 3.1Å; K233-Q236 WeakPolarHBondContact O-CB 3.27Å; K233-Q236 PolarHBondContact O-N 3.24Å; K233-I237 HydrophobicContact CG-CD1 4.17Å; K233-I237 WeakPolarHBondContact O-CG1 3.48Å; K233-I237 PolarHBondContact O-N 3.22Å
234D90.2Very high91.7Very high93 Ų9340.4 Ų40.450%0.49721%0.209SC..Hα-helixtrans-65.7-39-179.7-59.9-31.9000112.2T86 P232 Q236 K238T86-D234 PolarHBondContact OG1-OD1 3.21Å; P232-D234 VanDerWaalsContact C-N 3.3Å; P232-D234 PolarHBondContact O-N 3.47Å; D234-Q236 VanDerWaalsContact C-N 3.34Å; D234-K238 WeakPolarHBondContact O-CB 3.36Å; D234-K238 PolarHBondContact O-N 2.97Å
235E91.6Very high91.8Very high93 Ų9342.9 Ų42.944%0.43522%0.223SC..Hα-helixtrans-67.6-35.7173.9-77.1-177.1-137.600111.6K151 L231 P232 K233 M239K151-E235 IonicContact NZ-OE2 2.83Å; L231-E235 HydrophobicContact CB-CB 4.07Å; L231-E235 HydrophobicContact CD1-CB 4.3Å; P232-E235 HydrophobicContact CG-CB 3.98Å; P232-E235 HydrophobicContact CG-CG 3.83Å; P232-E235 WeakPolarHBondContact CG-OE1 3.46Å; P232-E235 PolarHBondContact O-N 2.96Å; P232-E235 VanDerWaalsContact O-N 3.08Å; K233-E235 PolarHBondContact O-N 3.1Å; E235-M239 VanDerWaalsContact O-CB 3.31Å; E235-M239 WeakPolarHBondContact O-CB 3.45Å; E235-M239 PolarHBondContact O-N 3.44Å
236Q93Very high91.9Very high15 Ų1548.2 Ų48.27%0.0725%0.246CC..Hα-helixtrans-60.9-52.5175-64.1171.914.100111L228 L231 P232 K233 D234 K238 M239 I240L228-Q236 HydrophobicContact CB-CG 4.26Å; L228-Q236 VanDerWaalsContact CD2-CA 3.49Å; L228-Q236 HydrophobicContact CD2-CB 3.69Å; L228-Q236 HydrophobicContact CD2-CG 3.85Å; L228-Q236 WeakPolarHBondContact O-CG 3.49Å; L228-Q236 PolarHBondContact O-NE2 3.24Å; L231-Q236 HydrophobicContact CB-CG 3.92Å; L231-Q236 PolarHBondContact O-NE2 2.68Å; P232-Q236 WeakPolarHBondContact O-CG 3.25Å; P232-Q236 PolarHBondContact O-N 3.05Å; K233-Q236 WeakPolarHBondContact O-CB 3.27Å; K233-Q236 PolarHBondContact O-N 3.24Å; D234-Q236 VanDerWaalsContact C-N 3.34Å; Q236-K238 PolarHBondContact O-N 3.03Å; Q236-M239 PolarHBondContact O-N 3.45Å; Q236-I240 WeakPolarHBondContact O-CD1 3.32Å; Q236-I240 WeakPolarHBondContact O-CG1 3.44Å; Q236-I240 PolarHBondContact O-N 3.34Å
237I93.1Very high92Very high10 Ų1047.8 Ų47.85%0.05124%0.243CC..Hα-helixtrans-58.1-49.5-179.8-69.9170.8000110.1Y79 L80 N83 K233 M239 I240 I241Y79-I237 HydrophobicContact CE1-CG1 4.3Å; Y79-I237 HydrophobicContact CE1-CG2 4.39Å; L80-I237 HydrophobicContact CD2-CG2 3.58Å; N83-I237 HydrophobicContact CB-CD1 4.44Å; K233-I237 HydrophobicContact CG-CD1 4.17Å; K233-I237 WeakPolarHBondContact O-CG1 3.48Å; K233-I237 PolarHBondContact O-N 3.22Å; I237-M239 VanDerWaalsContact C-N 3.33Å; I237-M239 PolarHBondContact O-N 3.31Å; I237-I240 PolarHBondContact O-N 2.88Å; I237-I241 HydrophobicContact CG2-CG1 4.29Å; I237-I241 WeakPolarHBondContact O-CB 3.1Å; I237-I241 WeakPolarHBondContact O-CG1 3Å; I237-I241 PolarHBondContact O-N 3.22Å
238K93.2Very high92.2Very high129 Ų12948 Ų4856%0.56125%0.245SC*.Hα-helixtrans-57.5-45.7179.6-176.6177.6-179.7176.30112D234 Q236 Q242D234-K238 WeakPolarHBondContact O-CB 3.36Å; D234-K238 PolarHBondContact O-N 2.97Å; Q236-K238 PolarHBondContact O-N 3.03Å; K238-Q242 WeakPolarHBondContact O-CB 3.4Å; K238-Q242 VanDerWaalsContact O-CG 3.22Å; K238-Q242 WeakPolarHBondContact O-CG 3.49Å; K238-Q242 PolarHBondContact O-N 3.44Å
239M93.8Very high92.2Very high50 Ų5051.9 Ų51.925%0.24627%0.269CS..Hα-helixtrans-64.1-42-179.3-176.7176.1-66.200112.3R224 L227 L228 L231 E235 Q236 I237 A243R224-M239 HydrophobicContact CG-CG 4.4Å; R224-M239 HydrophobicContact CG-SD 3.93Å; L227-M239 HydrophobicContact CD2-CE 3.79Å; L227-M239 HydrophobicContact CD2-SD 3.97Å; L227-M239 HydrophobicContact CG-CE 4.46Å; L228-M239 HydrophobicContact CD2-CB 4.34Å; L228-M239 HydrophobicContact CD2-SD 4.07Å; L231-M239 HydrophobicContact CD1-CE 3.47Å; L231-M239 VanDerWaalsContact CD1-CE 3.47Å; L231-M239 HydrophobicContact CD1-SD 4.12Å; E235-M239 VanDerWaalsContact O-CB 3.31Å; E235-M239 WeakPolarHBondContact O-CB 3.45Å; E235-M239 PolarHBondContact O-N 3.44Å; Q236-M239 PolarHBondContact O-N 3.45Å; I237-M239 VanDerWaalsContact C-N 3.33Å; I237-M239 PolarHBondContact O-N 3.31Å; M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 3.31Å; M239-A243 VanDerWaalsContact O-N 3.15Å
240I94.8Very high92.2Very high1 Ų151.4 Ų51.41%0.00527%0.265CS..Hα-helixtrans-69-47.9-179.1-70.4159.6000110.7W75 Y79 E136 L228 Q236 I237 Q242 A243 M244W75-I240 HydrophobicContact CH2-CG2 3.86Å; W75-I240 HydrophobicContact CZ2-CG2 3.97Å; Y79-I240 HydrophobicContact CE1-CG2 4.14Å; Y79-I240 HydrophobicContact CE2-CD1 4.36Å; Y79-I240 HydrophobicContact CE2-CG2 4.04Å; Y79-I240 WeakPolarHBondContact OH-CD1 3.37Å; E136-I240 WeakPolarHBondContact OE1-CD1 3.42Å; L228-I240 HydrophobicContact CD1-CD1 3.73Å; L228-I240 HydrophobicContact CD1-CG1 3.93Å; L228-I240 HydrophobicContact CD2-CD1 4.04Å; L228-I240 HydrophobicContact CD2-CG1 4.15Å; Q236-I240 WeakPolarHBondContact O-CD1 3.32Å; Q236-I240 WeakPolarHBondContact O-CG1 3.44Å; Q236-I240 PolarHBondContact O-N 3.34Å; I237-I240 PolarHBondContact O-N 2.88Å; I240-Q242 PolarHBondContact O-N 3.47Å; I240-A243 PolarHBondContact O-N 3.33Å; I240-M244 WeakPolarHBondContact O-CG 3.36Å; I240-M244 PolarHBondContact O-N 3.44Å
241I94.4Very high92.3Very high10 Ų1049.4 Ų49.45%0.05125%0.253CS..Hα-helixtrans-57.9-48.2177.2-70.8-57.5000111W75 A76 Y79 L80 Y94 I237 A243 M244 D245W75-I241 HydrophobicContact CH2-CD1 3.89Å; W75-I241 HydrophobicContact CZ3-CD1 3.79Å; A76-I241 HydrophobicContact CB-CD1 4.3Å; Y79-I241 HydrophobicContact CD1-CD1 4.03Å; L80-I241 HydrophobicContact CD1-CD1 4.44Å; L80-I241 HydrophobicContact CD2-CD1 4.27Å; L80-I241 HydrophobicContact CD2-CG1 4.2Å; L80-I241 HydrophobicContact CG-CD1 4.22Å; Y94-I241 HydrophobicContact CE2-CG2 3.86Å; Y94-I241 WeakPolarHBondContact OH-CG2 3.42Å; I237-I241 HydrophobicContact CG2-CG1 4.29Å; I237-I241 WeakPolarHBondContact O-CB 3.1Å; I237-I241 WeakPolarHBondContact O-CG1 3Å; I237-I241 PolarHBondContact O-N 3.22Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 2.95Å; I241-M244 PolarHBondContact O-N 3.35Å; I241-D245 VanDerWaalsContact O-CB 3.28Å; I241-D245 WeakPolarHBondContact O-CB 3.25Å; I241-D245 PolarHBondContact O-N 3.1Å
242Q93.5Very high91.9Very high117 Ų11752.1 Ų52.155%0.54727%0.273SS..Hα-helixtrans-61.7-39.7-179.9-74.5179.3-28.900113K238 I240 K246K238-Q242 WeakPolarHBondContact O-CB 3.4Å; K238-Q242 VanDerWaalsContact O-CG 3.22Å; K238-Q242 WeakPolarHBondContact O-CG 3.49Å; K238-Q242 PolarHBondContact O-N 3.44Å; I240-Q242 PolarHBondContact O-N 3.47Å; Q242-K246 PolarHBondContact O-N 3.06Å
243A93.3Very high91.9Very high37 Ų3751.2 Ų51.231%0.30626%0.264SS..Hα-helixtrans-65.8-42.8177.900000111.8M239 I240 I241 D247M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 3.31Å; M239-A243 VanDerWaalsContact O-N 3.15Å; I240-A243 PolarHBondContact O-N 3.33Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 2.95Å; A243-D247 PolarHBondContact O-N 3.44Å; A243-D247 VanDerWaalsContact O-N 3.17Å
244M95.1Very high92.1Very high6 Ų649.5 Ų49.53%0.0326%0.258CS..Hα-helixtrans-75.6-34-178.7-65-56.7100.500112.6F72 W75 W126 R129 I240 I241 D247 S248F72-M244 HydrophobicContact CD2-CB 4.31Å; F72-M244 HydrophobicContact CE2-CB 3.91Å; W75-M244 HydrophobicContact CE3-CB 4.21Å; W75-M244 HydrophobicContact CH2-CB 3.58Å; W75-M244 HydrophobicContact CH2-CG 3.38Å; W75-M244 HydrophobicContact CZ2-CB 4.36Å; W75-M244 HydrophobicContact CZ2-CG 3.75Å; W75-M244 HydrophobicContact CZ3-CB 3.49Å; W75-M244 VanDerWaalsContact CZ3-CB 3.49Å; W75-M244 HydrophobicContact CZ3-CG 3.83Å; W126-M244 HydrophobicContact CH2-CB 4.16Å; W126-M244 HydrophobicContact CZ3-CB 4.12Å; W126-M244 HydrophobicContact CZ3-CG 4.45Å; W126-M244 HydrophobicContact CZ3-SD 4.3Å; R129-M244 VanDerWaalsContact CD-SD 3.58Å; R129-M244 HydrophobicContact CG-SD 4.01Å; I240-M244 WeakPolarHBondContact O-CG 3.36Å; I240-M244 PolarHBondContact O-N 3.44Å; I241-M244 PolarHBondContact O-N 3.35Å; M244-D247 PolarHBondContact O-N 2.95Å; M244-S248 PolarHBondContact O-N 3.22Å
245D94.3Very high92.2Very high62 Ų6247.1 Ų47.133%0.33225%0.245SC..Hα-helixtrans-61-47.1172.9-172.855.4000110.8F72 I241 D247 S248F72-D245 HydrophobicContact CE1-CB 4.27Å; F72-D245 VanDerWaalsContact CE1-OD1 3.24Å; F72-D245 WeakPolarHBondContact CE1-OD1 3.36Å; F72-D245 HydrophobicContact CE2-CB 4.22Å; F72-D245 VanDerWaalsContact CZ-CA 3.48Å; F72-D245 HydrophobicContact CZ-CB 3.62Å; F72-D245 WeakPolarHBondContact CZ-OD1 3.45Å; I241-D245 VanDerWaalsContact O-CB 3.28Å; I241-D245 WeakPolarHBondContact O-CB 3.25Å; I241-D245 PolarHBondContact O-N 3.1Å; D245-D247 VanDerWaalsContact C-N 3.31Å; D245-D247 PolarHBondContact O-N 3.44Å; D245-S248 WeakPolarHBondContact O-CB 3.18Å; D245-S248 PolarHBondContact O-N 3.31Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 2.8Å
246K93Very high92.2Very high115 Ų11544.4 Ų44.450%0.523%0.234SC..Hα-helixtrans-56.4-44.9172.6-174.2175.6-179.8177.70111.1E166 Q242 S248 T249E166-K246 IonicContact OE2-NZ 2.7Å; E166-K246 PolarHBondContact OE2-NZ 2.85Å; Q242-K246 PolarHBondContact O-N 3.06Å; K246-S248 VanDerWaalsContact C-N 3.31Å; K246-S248 PolarHBondContact O-N 3.07Å; K246-T249 PolarHBondContact O-N 3.15Å; K246-T249 PolarHBondContact O-OG1 3.15Å
247D92.1Very high92.2Very high8 Ų846.2 Ų46.24%0.04324%0.244CC..Hα-helixtrans-63.7-35178.8-172.556.2000113.6Y34 K125 A243 M244 D245 T249 N250Y34-D247 WeakPolarHBondContact CE2-OD1 3.34Å; Y34-D247 WeakPolarHBondContact CE2-OD2 3.43Å; Y34-D247 PolarHBondContact OH-OD1 3.05Å; K125-D247 IonicContact NZ-OD2 2.69Å; K125-D247 PolarHBondContact NZ-OD2 2.94Å; A243-D247 PolarHBondContact O-N 3.44Å; A243-D247 VanDerWaalsContact O-N 3.17Å; M244-D247 PolarHBondContact O-N 2.95Å; D245-D247 VanDerWaalsContact C-N 3.31Å; D245-D247 PolarHBondContact O-N 3.44Å; D247-T249 PolarHBondContact O-N 2.96Å; D247-N250 WeakPolarHBondContact O-CB 3.33Å; D247-N250 PolarHBondContact O-N 2.96Å; D247-N250 PolarHBondContact OD1-ND2 3.32Å; D247-N250 VanDerWaalsContact OD1-ND2 3.13Å
248S93.3Very high92.1Very high7 Ų748.6 Ų48.65%0.04926%0.257CS..Hα-helixtrans-62.3-16.7179.281.70000113.7E68 M244 D245 K246E68-S248 WeakPolarHBondContact CB-O 3.14Å; M244-S248 PolarHBondContact O-N 3.22Å; D245-S248 WeakPolarHBondContact O-CB 3.18Å; D245-S248 PolarHBondContact O-N 3.31Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 2.8Å; K246-S248 VanDerWaalsContact C-N 3.31Å; K246-S248 PolarHBondContact O-N 3.07Å
249T92.6Very high92Very high82 Ų8242.9 Ų42.950%0.50324%0.235SC..THydrogen-bonded Turntrans-95.7-0.1179680000114.1K246 D247 C251K246-T249 PolarHBondContact O-N 3.15Å; K246-T249 PolarHBondContact O-OG1 3.15Å; D247-T249 PolarHBondContact O-N 2.96Å; T249-C251 VanDerWaalsContact C-N 3.3Å; T249-C251 PolarHBondContact O-N 3.23Å
250N88.8Confident91.9Very high30 Ų3042.3 Ų42.316%0.1623%0.234CC..  trans-81.371.3-178-69.7-28.1000112.1K41 L169 D247K41-N250 PolarHBondContact NZ-O 3.38Å; L169-N250 WeakPolarHBondContact CD2-OD1 3.39Å; D247-N250 WeakPolarHBondContact O-CB 3.33Å; D247-N250 PolarHBondContact O-N 2.96Å; D247-N250 PolarHBondContact OD1-ND2 3.32Å; D247-N250 VanDerWaalsContact OD1-ND2 3.13Å
251C90.7Very high91.6Very high6 Ų645.8 Ų45.84%0.04125%0.254CS..  trans-117.2133.8167.7-71.40000109.6H61 C64 L65 T249H61-C251 PolarHBondContact CE1-O 3.47Å; C64-C251 HydrophobicContact CB-CB 3.73Å; C64-C251 WeakPolarHBondContact CB-SG 3.35Å; C64-C251 WeakPolarHBondContact SG-CB 3.46Å; C64-C251 CovalentContact SG-SG 2.04Å; C64-C251 PolarHBondContact SG-SG 2.93Å; L65-C251 HydrophobicContact CD2-CB 3.84Å; L65-C251 HydrophobicContact CG-CB 4.07Å; L65-C251 PolarHBondContact N-SG 2.71Å; T249-C251 VanDerWaalsContact C-N 3.3Å; T249-C251 PolarHBondContact O-N 3.23Å
252S78.7Confident91.4Very high69 Ų6949 Ų4948%0.48327%0.272SS..  trans-74.20177.6-53.70000112.9H61 E176H61-S252 PolarHBondContact ND1-O 3.15Å; E176-S252 VanDerWaalsContact OE2-CB 3.3Å; E176-S252 WeakPolarHBondContact OE2-CB 3.47Å; E176-S252 PolarHBondContact OE2-OG 3.39Å

Retrieved 252 of 252 residues in 171.8 ms (Link to these results)

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